diff --git a/MSSJ/MSBNK-MSSJ-MSJ00683.txt b/MSSJ/MSBNK-MSSJ-MSJ00683.txt
index 5fec3302e0d..c9ee5972549 100644
--- a/MSSJ/MSBNK-MSSJ-MSJ00683.txt
+++ b/MSSJ/MSBNK-MSSJ-MSJ00683.txt
@@ -13,7 +13,7 @@ CH$NAME: Citric acid-[1-13C]
 CH$COMPOUND_CLASS: In vitro synthetic compound
 CH$FORMULA: C6H8O7
 CH$EXACT_MASS: 192.02701
-CH$SMILES: C(C(=O)O)C(CC(=O)O)(C(=O)O)O
+CH$SMILES: C(C(=O)O)C(C[13C](=O)O)(C(=O)O)O
 CH$IUPAC: InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/i3+1
 CH$LINK: CHEMSPIDER 8165754
 CH$LINK: INCHIKEY KRKNYBCHXYNGOX-LBPDFUHNSA-N
diff --git a/MSSJ/MSBNK-MSSJ-MSJ00684.txt b/MSSJ/MSBNK-MSSJ-MSJ00684.txt
index 7f2214ad887..3b30753f646 100644
--- a/MSSJ/MSBNK-MSSJ-MSJ00684.txt
+++ b/MSSJ/MSBNK-MSSJ-MSJ00684.txt
@@ -1,5 +1,5 @@
 ACCESSION: MSBNK-MSSJ-MSJ00684
-RECORD_TITLE: Citric acid-[5-13C]; GC-EI-Q; MS; POSITIVE; 4TMS-derivative
+RECORD_TITLE: Citric acid-[1-13C]; GC-EI-Q; MS; POSITIVE; 4TMS-derivative
 DATE: 2021.08.26
 AUTHORS: Nobuyuki Okahashi and Fumio Matsuda, Osaka University
 LICENSE: CC BY
@@ -9,11 +9,11 @@ COMMENT: The sample analyzed is labeled with 13C at the carbon atom 5. Carbon at
 COMMENT: DERIVATIVE_TYPE 4TMS; DERIVATIVE_FORMULA C18H40O7Si4; DERIVATIVE_MASS 481.18847 (13C-labeled)
 COMMENT: Annotation of fragment ions (PK$ANNOTATION) is based on Fig.2(b) and Table 1, and Supplemental material page 3 of the publication.
 COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 21HP8020 to the Mass Spectrometry Society of Japan.
-CH$NAME: Citric acid-[5-13C]
+CH$NAME: Citric acid-[1-13C]
 CH$COMPOUND_CLASS: In vitro synthetic compound
 CH$FORMULA: C6H8O7
 CH$EXACT_MASS: 192.027005
-CH$SMILES: OC(=O)CC(O)(CC(O)=O)C(O)=O
+CH$SMILES: C(C(=O)O)C(C[13C](=O)O)(C(=O)O)O
 CH$IUPAC: InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/i3+1
 CH$LINK: CHEMSPIDER 8165754
 CH$LINK: INCHIKEY KRKNYBCHXYNGOX-LBPDFUHNSA-N
diff --git a/MSSJ/MSBNK-MSSJ-MSJ00685.txt b/MSSJ/MSBNK-MSSJ-MSJ00685.txt
index 2aa69ac0efe..c735caff300 100644
--- a/MSSJ/MSBNK-MSSJ-MSJ00685.txt
+++ b/MSSJ/MSBNK-MSSJ-MSJ00685.txt
@@ -13,7 +13,7 @@ CH$NAME: Citric acid-[6-13C]
 CH$COMPOUND_CLASS: In vitro synthetic compound
 CH$FORMULA: C6H8O7
 CH$EXACT_MASS: 192.027005
-CH$SMILES: OC(=O)CC(O)(CC(O)=O)C(=O)O
+CH$SMILES: C(C(=O)O)C(CC(=O)O)([13C](=O)O)O
 CH$IUPAC: InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/i5+1
 CH$LINK: INCHIKEY KRKNYBCHXYNGOX-HOSYLAQJSA-N
 AC$INSTRUMENT: GCMS-QP2010 Ultra (Shimadzu, Kyoto, Japan)
diff --git a/MSSJ/MSBNK-MSSJ-MSJ00686.txt b/MSSJ/MSBNK-MSSJ-MSJ00686.txt
index d18a530e53d..c30d752722b 100644
--- a/MSSJ/MSBNK-MSSJ-MSJ00686.txt
+++ b/MSSJ/MSBNK-MSSJ-MSJ00686.txt
@@ -13,7 +13,7 @@ CH$NAME: Citric acid-[1,2,3,4,5,6-13C6]
 CH$COMPOUND_CLASS: In vitro synthetic compound
 CH$FORMULA: C6H8O7
 CH$EXACT_MASS: 192.027005
-CH$SMILES: OC(=O)CC(O)(CC(O)=O)C(=O)O
+CH$SMILES: [13CH2]([13C](=O)O)[13C]([13CH2][13C](=O)O)([13C](=O)O)O
 CH$IUPAC: InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/i1+1,2+1,3+1,4+1,5+1,6+1
 CH$LINK: CAS 287389-42-8
 CH$LINK: CHEMSPIDER 17345064
diff --git a/MSSJ/MSBNK-MSSJ-MSJ00688.txt b/MSSJ/MSBNK-MSSJ-MSJ00688.txt
index 71b87e8db5b..125b748243f 100644
--- a/MSSJ/MSBNK-MSSJ-MSJ00688.txt
+++ b/MSSJ/MSBNK-MSSJ-MSJ00688.txt
@@ -13,7 +13,7 @@ CH$NAME: alpha-ketoglutaric acid-[1,2,3,4-13C4]
 CH$COMPOUND_CLASS: In vitro synthetic compound
 CH$FORMULA: C5H6O5
 CH$EXACT_MASS: 146.02152
-CH$SMILES: C(CC(=O)O)C(=O)C(=O)O
+CH$SMILES: [13CH2]([13CH2][13C](=O)[13C](=O)O)C(=O)O
 CH$IUPAC: InChI=1S/C5H6O5/c6-3(5(9)10)1-2-4(7)8/h1-2H2,(H,7,8)(H,9,10)/i1+1,2+1,3+1,5+1
 CH$LINK: INCHIKEY KPGXRSRHYNQIFN-SAXDBNRNSA-N
 CH$LINK: PUBCHEM CID:91971603
diff --git a/MSSJ/MSBNK-MSSJ-MSJ00689.txt b/MSSJ/MSBNK-MSSJ-MSJ00689.txt
index a13555022d1..80a2920fd97 100644
--- a/MSSJ/MSBNK-MSSJ-MSJ00689.txt
+++ b/MSSJ/MSBNK-MSSJ-MSJ00689.txt
@@ -13,7 +13,7 @@ CH$NAME: alpha-ketoglutaric acid-[1,2,3,4,5-13C5]
 CH$COMPOUND_CLASS: In vitro synthetic compound
 CH$FORMULA: C5H6O5
 CH$EXACT_MASS: 146.02152
-CH$SMILES: C(CC(=O)O)C(=O)C(=O)O
+CH$SMILES: [13CH2]([13CH2][13C](=O)O)[13C](=O)[13C](=O)O
 CH$IUPAC: InChI=1S/C5H6O5/c6-3(5(9)10)1-2-4(7)8/h1-2H2,(H,7,8)(H,9,10)/i1+1,2+1,3+1,4+1,5+1
 CH$LINK: CHEMSPIDER 71078928
 CH$LINK: INCHIKEY KPGXRSRHYNQIFN-CVMUNTFWSA-N
diff --git a/MSSJ/MSBNK-MSSJ-MSJ00691.txt b/MSSJ/MSBNK-MSSJ-MSJ00691.txt
index 68d0bc75a38..113ecf92be1 100644
--- a/MSSJ/MSBNK-MSSJ-MSJ00691.txt
+++ b/MSSJ/MSBNK-MSSJ-MSJ00691.txt
@@ -13,7 +13,7 @@ CH$NAME: Succinic acid-[1,2,3,4-13C4]
 CH$COMPOUND_CLASS: In vitro synthetic compound
 CH$FORMULA: C4H6O4
 CH$EXACT_MASS: 118.02661
-CH$SMILES: OC(=O)CCC(O)=O
+CH$SMILES: [13CH2]([13CH2][13C](=O)O)[13C](=O)O
 CH$IUPAC: InChI=1S/C4H6O4/c5-3(6)1-2-4(7)8/h1-2H2,(H,5,6)(H,7,8)/i1+1,2+1,3+1,4+1
 CH$LINK: CAS 201595-67-7
 CH$LINK: CHEMSPIDER 17341241
diff --git a/MSSJ/MSBNK-MSSJ-MSJ00693.txt b/MSSJ/MSBNK-MSSJ-MSJ00693.txt
index 89c5dcf2081..12a723e1ad0 100644
--- a/MSSJ/MSBNK-MSSJ-MSJ00693.txt
+++ b/MSSJ/MSBNK-MSSJ-MSJ00693.txt
@@ -12,7 +12,7 @@ CH$NAME: Fumaric acid-[1,2,3,4-13C4]
 CH$COMPOUND_CLASS: In vitro synthetic compound
 CH$FORMULA: C4H4O4
 CH$EXACT_MASS: 116.01096
-CH$SMILES: O=C(O)/C=C/C(=O)O
+CH$SMILES: [13CH](=[13CH]/[13C](=O)O)\[13C](=O)O
 CH$IUPAC: InChI=1S/C4H4O4/c5-3(6)1-2-4(7)8/h1-2H,(H,5,6)(H,7,8)/b2-1+/i1+1,2+1,3+1,4+1
 CH$LINK: CAS 110-17-8
 CH$LINK: CHEMSPIDER 48063181
diff --git a/MSSJ/MSBNK-MSSJ-MSJ00695.txt b/MSSJ/MSBNK-MSSJ-MSJ00695.txt
index c9b31bcf574..e3ef756414c 100644
--- a/MSSJ/MSBNK-MSSJ-MSJ00695.txt
+++ b/MSSJ/MSBNK-MSSJ-MSJ00695.txt
@@ -12,7 +12,7 @@ CH$NAME: Malic acid-[1-13C]
 CH$COMPOUND_CLASS: In vitro synthetic compound
 CH$FORMULA: C4H6O5
 CH$EXACT_MASS: 134.021523
-CH$SMILES: C(C(C(=O)O)O)C(=O)O
+CH$SMILES: C(C([13C](=O)O)O)C(=O)O
 CH$IUPAC: InChI=1S/C4H6O5/c5-2(4(8)9)1-3(6)7/h2,5H,1H2,(H,6,7)(H,8,9)/i4+1
 CH$LINK: CAS 180991-05-3
 CH$LINK: INCHIKEY BJEPYKJPYRNKOW-AZXPZELESA-N
diff --git a/MSSJ/MSBNK-MSSJ-MSJ00696.txt b/MSSJ/MSBNK-MSSJ-MSJ00696.txt
index 4c4675bb0ec..2e12b76e5b7 100644
--- a/MSSJ/MSBNK-MSSJ-MSJ00696.txt
+++ b/MSSJ/MSBNK-MSSJ-MSJ00696.txt
@@ -12,7 +12,7 @@ CH$NAME: Malic acid-[2-13C]
 CH$COMPOUND_CLASS: In vitro synthetic compound
 CH$FORMULA: C4H6O5
 CH$EXACT_MASS: 134.021523
-CH$SMILES: C(C(C(=O)O)O)C(=O)O
+CH$SMILES: C([13CH](C(=O)O)O)C(=O)O
 CH$IUPAC: InChI=1S/C4H6O5/c5-2(4(8)9)1-3(6)7/h2,5H,1H2,(H,6,7)(H,8,9)/i2+1
 CH$LINK: CHEMSPIDER 49071373
 CH$LINK: INCHIKEY BJEPYKJPYRNKOW-VQEHIDDOSA-N
diff --git a/MSSJ/MSBNK-MSSJ-MSJ00697.txt b/MSSJ/MSBNK-MSSJ-MSJ00697.txt
index cc79e715f46..70ead3e8ce8 100644
--- a/MSSJ/MSBNK-MSSJ-MSJ00697.txt
+++ b/MSSJ/MSBNK-MSSJ-MSJ00697.txt
@@ -12,7 +12,7 @@ CH$NAME: Malic acid-[3-13C]
 CH$COMPOUND_CLASS: In vitro synthetic compound
 CH$FORMULA: C4H6O5
 CH$EXACT_MASS: 134.021523
-CH$SMILES: C(C(C(=O)O)O)C(=O)O
+CH$SMILES: [13CH2](C(C(=O)O)O)C(=O)O
 CH$IUPAC: InChI=1S/C4H6O5/c5-2(4(8)9)1-3(6)7/h2,5H,1H2,(H,6,7)(H,8,9)/i1+1
 CH$LINK: INCHIKEY BJEPYKJPYRNKOW-OUBTZVSYSA-N
 CH$LINK: PUBCHEM CID:153695700
diff --git a/MSSJ/MSBNK-MSSJ-MSJ00698.txt b/MSSJ/MSBNK-MSSJ-MSJ00698.txt
index 10409ae86e2..f000e6743af 100644
--- a/MSSJ/MSBNK-MSSJ-MSJ00698.txt
+++ b/MSSJ/MSBNK-MSSJ-MSJ00698.txt
@@ -12,7 +12,7 @@ CH$NAME: Malic acid-[4-13C]
 CH$COMPOUND_CLASS: In vitro synthetic compound
 CH$FORMULA: C4H6O5
 CH$EXACT_MASS: 134.021523
-CH$SMILES: C(C(C(=O)O)O)C(=O)O
+CH$SMILES: C(C(C(=O)O)O)[13C](=O)O
 CH$IUPAC: InChI=1S/C4H6O5/c5-2(4(8)9)1-3(6)7/h2,5H,1H2,(H,6,7)(H,8,9)/i3+1
 CH$LINK: INCHIKEY BJEPYKJPYRNKOW-LBPDFUHNSA-N
 AC$INSTRUMENT: GCMS-QP2010 Ultra (Shimadzu, Kyoto, Japan)
diff --git a/MSSJ/MSBNK-MSSJ-MSJ00699.txt b/MSSJ/MSBNK-MSSJ-MSJ00699.txt
index dc1a7370773..af0bd495661 100644
--- a/MSSJ/MSBNK-MSSJ-MSJ00699.txt
+++ b/MSSJ/MSBNK-MSSJ-MSJ00699.txt
@@ -12,7 +12,7 @@ CH$NAME: Malic acid-[1,2,3,4-13C4]
 CH$COMPOUND_CLASS: In vitro synthetic compound
 CH$FORMULA: C4H6O5
 CH$EXACT_MASS: 134.021525
-CH$SMILES: C(C(C(=O)O)O)C(=O)O
+CH$SMILES: [13CH2]([13CH]([13C](=O)O)O)[13C](=O)O
 CH$IUPAC: InChI=1S/C4H6O5/c5-2(4(8)9)1-3(6)7/h2,5H,1H2,(H,6,7)(H,8,9)/i1+1,2+1,3+1,4+1
 CH$LINK: CHEMSPIDER 48060182
 CH$LINK: INCHIKEY BJEPYKJPYRNKOW-JCDJMFQYSA-N
diff --git a/MSSJ/MSBNK-MSSJ-MSJ00701.txt b/MSSJ/MSBNK-MSSJ-MSJ00701.txt
index 6ce42055876..f045a8af546 100644
--- a/MSSJ/MSBNK-MSSJ-MSJ00701.txt
+++ b/MSSJ/MSBNK-MSSJ-MSJ00701.txt
@@ -13,7 +13,7 @@ CH$NAME: Citric acid-[1-13C]
 CH$COMPOUND_CLASS: In vitro synthetic compound
 CH$FORMULA: C6H8O7
 CH$EXACT_MASS: 192.02700
-CH$SMILES: OC(=O)CC(O)(CC(O)=O)C(=O)O
+CH$SMILES: C(C(=O)O)C(CC(=O)O)([13C](=O)O)O
 CH$IUPAC: InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/i5+1
 CH$LINK: CHEMSPIDER 8165754
 CH$LINK: INCHIKEY KRKNYBCHXYNGOX-HOSYLAQJSA-N
diff --git a/MSSJ/MSBNK-MSSJ-MSJ00702.txt b/MSSJ/MSBNK-MSSJ-MSJ00702.txt
index 9d1d1b91484..25d01d28828 100644
--- a/MSSJ/MSBNK-MSSJ-MSJ00702.txt
+++ b/MSSJ/MSBNK-MSSJ-MSJ00702.txt
@@ -1,5 +1,5 @@
 ACCESSION: MSBNK-MSSJ-MSJ00702
-RECORD_TITLE: Citric acid-[5-13C]; GC-EI-Q; MS; POSITIVE; 4TBDMS-derivative
+RECORD_TITLE: Citric acid-[1-13C]; GC-EI-Q; MS; POSITIVE; 4TBDMS-derivative
 DATE: 2021.10.04
 AUTHORS: Nobuyuki Okahashi and Fumio Matsuda, Osaka University
 LICENSE: CC BY
@@ -9,11 +9,11 @@ COMMENT: The sample analyzed is labeled with 13C at the carbon atom 5.
 COMMENT: DERIVATIVE_TYPE 4TBDMS; DERIVATIVE_FORMULA C30H64O7Si4; DERIVATIVE_MASS 649.37627 (13C-labeled)
 COMMENT: Annotation of fragment ions (PK$ANNOTATION) is based on Table 1 and Supplemental material page 8 of the publication.
 COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 21HP8020 to the Mass Spectrometry Society of Japan.
-CH$NAME: Citric acid-[5-13C]
+CH$NAME: Citric acid-[1-13C]
 CH$COMPOUND_CLASS: In vitro synthetic compound
 CH$FORMULA: C6H8O7
 CH$EXACT_MASS: 192.02700
-CH$SMILES: OC(=O)CC(O)(CC(O)=O)C(=O)O
+CH$SMILES: C(C(=O)O)C(C[13C](=O)O)(C(=O)O)O
 CH$IUPAC: InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/i3+1
 CH$LINK: CHEMSPIDER 8165754
 CH$LINK: INCHIKEY KRKNYBCHXYNGOX-LBPDFUHNSA-N
diff --git a/MSSJ/MSBNK-MSSJ-MSJ00703.txt b/MSSJ/MSBNK-MSSJ-MSJ00703.txt
index 04c8eae99f5..3bcd9e81aff 100644
--- a/MSSJ/MSBNK-MSSJ-MSJ00703.txt
+++ b/MSSJ/MSBNK-MSSJ-MSJ00703.txt
@@ -13,7 +13,7 @@ CH$NAME: Citric acid-[6-13C]
 CH$COMPOUND_CLASS: In vitro synthetic compound
 CH$FORMULA: C6H8O7
 CH$EXACT_MASS: 192.02700
-CH$SMILES: OC(=O)CC(O)(CC(O)=O)C(=O)O
+CH$SMILES: C(C(=O)O)C(CC(=O)O)([13C](=O)O)O
 CH$IUPAC: InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/i5+1
 CH$LINK: INCHIKEY KRKNYBCHXYNGOX-HOSYLAQJSA-N
 AC$INSTRUMENT: GCMS-QP2010 Ultra (Shimadzu, Kyoto, Japan)
diff --git a/MSSJ/MSBNK-MSSJ-MSJ00704.txt b/MSSJ/MSBNK-MSSJ-MSJ00704.txt
index f719ae29374..1bb672fba74 100644
--- a/MSSJ/MSBNK-MSSJ-MSJ00704.txt
+++ b/MSSJ/MSBNK-MSSJ-MSJ00704.txt
@@ -13,7 +13,7 @@ CH$NAME: Citric acid-[1,5-13C2]
 CH$COMPOUND_CLASS: In vitro synthetic compound
 CH$FORMULA: C6H8O7
 CH$EXACT_MASS: 192.02700
-CH$SMILES: OC(=O)CC(O)(CC(O)=O)C(=O)O
+CH$SMILES: C([13C](=O)O)C(C[13C](=O)O)(C(=O)O)O
 CH$IUPAC: InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/i3+1,4+1
 CH$LINK: CHEMSPIDER 8488970
 CH$LINK: INCHIKEY KRKNYBCHXYNGOX-CQDYUVAPSA-N
diff --git a/MSSJ/MSBNK-MSSJ-MSJ00705.txt b/MSSJ/MSBNK-MSSJ-MSJ00705.txt
index 2060ecc185f..e4233e85133 100644
--- a/MSSJ/MSBNK-MSSJ-MSJ00705.txt
+++ b/MSSJ/MSBNK-MSSJ-MSJ00705.txt
@@ -13,7 +13,7 @@ CH$NAME: Citric acid-[1,2,3,4,5,6-13C6]
 CH$COMPOUND_CLASS: In vitro synthetic compound
 CH$FORMULA: C6H8O7
 CH$EXACT_MASS: 192.02700
-CH$SMILES: OC(=O)CC(O)(CC(O)=O)C(=O)O
+CH$SMILES: [13CH2]([13C](=O)O)[13C]([13CH2][13C](=O)O)([13C](=O)O)O
 CH$IUPAC: InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/i1+1,2+1,3+1,4+1,5+1,6+1
 CH$LINK: CHEMSPIDER 17345064
 CH$LINK: INCHIKEY KRKNYBCHXYNGOX-IDEBNGHGSA-N
diff --git a/MSSJ/MSBNK-MSSJ-MSJ00707.txt b/MSSJ/MSBNK-MSSJ-MSJ00707.txt
index 86d283c92a6..b0ead7584f9 100644
--- a/MSSJ/MSBNK-MSSJ-MSJ00707.txt
+++ b/MSSJ/MSBNK-MSSJ-MSJ00707.txt
@@ -12,7 +12,7 @@ CH$NAME: alpha-Ketoglutaric acid-[1,2,3,4-13C4]
 CH$COMPOUND_CLASS: In vitro synthetic compound
 CH$FORMULA: C5H6O5
 CH$EXACT_MASS: 146.02152
-CH$SMILES: C(CC(=O)O)C(=O)C(=O)O
+CH$SMILES: [13CH2]([13CH2][13C](=O)[13C](=O)O)C(=O)O
 CH$IUPAC: InChI=1S/C5H6O5/c6-3(5(9)10)1-2-4(7)8/h1-2H2,(H,7,8)(H,9,10)/i1+1,2+1,3+1,5+1
 CH$LINK: INCHIKEY KPGXRSRHYNQIFN-SAXDBNRNSA-N
 CH$LINK: PUBCHEM CID:91971603
diff --git a/MSSJ/MSBNK-MSSJ-MSJ00708.txt b/MSSJ/MSBNK-MSSJ-MSJ00708.txt
index 91faa8125b6..37043719c7e 100644
--- a/MSSJ/MSBNK-MSSJ-MSJ00708.txt
+++ b/MSSJ/MSBNK-MSSJ-MSJ00708.txt
@@ -13,7 +13,7 @@ CH$NAME: alpha-ketoglutaric acid-[1,2,3,4,5-13C5]
 CH$COMPOUND_CLASS: In vitro synthetic compound
 CH$FORMULA: C5H6O5
 CH$EXACT_MASS: 146.02152
-CH$SMILES: C(CC(=O)O)C(=O)C(=O)O
+CH$SMILES: [13CH2]([13CH2][13C](=O)O)[13C](=O)[13C](=O)O
 CH$IUPAC: InChI=1S/C5H6O5/c6-3(5(9)10)1-2-4(7)8/h1-2H2,(H,7,8)(H,9,10)/i1+1,2+1,3+1,4+1,5+1
 CH$LINK: CHEMSPIDER 71078928
 CH$LINK: INCHIKEY KPGXRSRHYNQIFN-CVMUNTFWSA-N
diff --git a/MSSJ/MSBNK-MSSJ-MSJ00710.txt b/MSSJ/MSBNK-MSSJ-MSJ00710.txt
index 993b4dafa4d..454041e9a0a 100644
--- a/MSSJ/MSBNK-MSSJ-MSJ00710.txt
+++ b/MSSJ/MSBNK-MSSJ-MSJ00710.txt
@@ -12,7 +12,7 @@ CH$NAME: Succinic acid-[1,2,3,4-13C4]
 CH$COMPOUND_CLASS: In vitro synthetic compound
 CH$FORMULA: C4H6O4
 CH$EXACT_MASS: 118.02661
-CH$SMILES: O=C(O)CCC(=O)O
+CH$SMILES: [13CH2]([13CH2][13C](=O)O)[13C](=O)O
 CH$IUPAC: InChI=1S/C4H6O4/c5-3(6)1-2-4(7)8/h1-2H2,(H,5,6)(H,7,8)/i1+1,2+1,3+1,4+1
 CH$LINK: CAS 201595-67-7
 CH$LINK: CHEMSPIDER 17341241
diff --git a/MSSJ/MSBNK-MSSJ-MSJ00712.txt b/MSSJ/MSBNK-MSSJ-MSJ00712.txt
index 2c2c3c07c7f..496f130fcf3 100644
--- a/MSSJ/MSBNK-MSSJ-MSJ00712.txt
+++ b/MSSJ/MSBNK-MSSJ-MSJ00712.txt
@@ -12,7 +12,7 @@ CH$NAME: Fumaric acid-[1,2,3,4-13C4]
 CH$COMPOUND_CLASS: In vitro synthetic compound
 CH$FORMULA: C4H4O4
 CH$EXACT_MASS: 116.01096
-CH$SMILES: C(=C/C(=O)O)\C(=O)O
+CH$SMILES: [13CH](=[13CH]/[13C](=O)O)\[13C](=O)O
 CH$IUPAC: InChI=1S/C4H4O4/c5-3(6)1-2-4(7)8/h1-2H,(H,5,6)(H,7,8)/b2-1+/i1+1,2+1,3+1,4+1
 CH$LINK: CHEMSPIDER 48063181
 CH$LINK: INCHIKEY VZCYOOQTPOCHFL-BHBLSLFXSA-N
diff --git a/MSSJ/MSBNK-MSSJ-MSJ00714.txt b/MSSJ/MSBNK-MSSJ-MSJ00714.txt
index d1c4294ee70..abeabd4e7a1 100644
--- a/MSSJ/MSBNK-MSSJ-MSJ00714.txt
+++ b/MSSJ/MSBNK-MSSJ-MSJ00714.txt
@@ -12,7 +12,7 @@ CH$NAME: Malic acid-[1-13C]
 CH$COMPOUND_CLASS: In vitro synthetic compound
 CH$FORMULA: C4H6O5
 CH$EXACT_MASS: 134.02153
-CH$SMILES: O=C(O)C(O)CC(=O)O
+CH$SMILES: C(C([13C](=O)O)O)C(=O)O
 CH$IUPAC: InChI=1S/C4H6O5/c5-2(4(8)9)1-3(6)7/h2,5H,1H2,(H,6,7)(H,8,9)/i4+1
 CH$LINK: INCHIKEY BJEPYKJPYRNKOW-AZXPZELESA-N
 CH$LINK: PUBCHEM CID:25214506
diff --git a/MSSJ/MSBNK-MSSJ-MSJ00715.txt b/MSSJ/MSBNK-MSSJ-MSJ00715.txt
index 922042952ff..fe183ca41e6 100644
--- a/MSSJ/MSBNK-MSSJ-MSJ00715.txt
+++ b/MSSJ/MSBNK-MSSJ-MSJ00715.txt
@@ -12,7 +12,7 @@ CH$NAME: Malic acid-[2-13C]
 CH$COMPOUND_CLASS: In vitro synthetic compound
 CH$FORMULA: C4H6O5
 CH$EXACT_MASS: 134.02152
-CH$SMILES: O=C(O)C(O)CC(=O)O
+CH$SMILES: C([13CH](C(=O)O)O)C(=O)O
 CH$IUPAC: InChI=1S/C4H6O5/c5-2(4(8)9)1-3(6)7/h2,5H,1H2,(H,6,7)(H,8,9)/i2+1
 CH$LINK: CHEMSPIDER 49071373
 CH$LINK: INCHIKEY BJEPYKJPYRNKOW-VQEHIDDOSA-N
diff --git a/MSSJ/MSBNK-MSSJ-MSJ00716.txt b/MSSJ/MSBNK-MSSJ-MSJ00716.txt
index a06adcc60b2..869234a6956 100644
--- a/MSSJ/MSBNK-MSSJ-MSJ00716.txt
+++ b/MSSJ/MSBNK-MSSJ-MSJ00716.txt
@@ -12,7 +12,7 @@ CH$NAME: Malic acid-[3-13C]
 CH$COMPOUND_CLASS: In vitro synthetic compound
 CH$FORMULA: C4H6O5
 CH$EXACT_MASS: 134.02153
-CH$SMILES: O=C(O)C(O)CC(=O)O
+CH$SMILES: [13CH2](C(C(=O)O)O)C(=O)O
 CH$IUPAC: InChI=1S/C4H6O5/c5-2(4(8)9)1-3(6)7/h2,5H,1H2,(H,6,7)(H,8,9)/i1+1
 CH$LINK: INCHIKEY BJEPYKJPYRNKOW-OUBTZVSYSA-N
 CH$LINK: PUBCHEM CID:153695700
diff --git a/MSSJ/MSBNK-MSSJ-MSJ00717.txt b/MSSJ/MSBNK-MSSJ-MSJ00717.txt
index ddfbfa0f046..9c6adc28763 100644
--- a/MSSJ/MSBNK-MSSJ-MSJ00717.txt
+++ b/MSSJ/MSBNK-MSSJ-MSJ00717.txt
@@ -12,7 +12,7 @@ CH$NAME: Malic acid-[4-13C]
 CH$COMPOUND_CLASS: In vitro synthetic compound
 CH$FORMULA: C4H6O5
 CH$EXACT_MASS: 134.02153
-CH$SMILES: O=C(O)C(O)CC(=O)O
+CH$SMILES: C(C(C(=O)O)O)[13C](=O)O
 CH$IUPAC: InChI=1S/C4H6O5/c5-2(4(8)9)1-3(6)7/h2,5H,1H2,(H,6,7)(H,8,9)/i3+1
 CH$LINK: INCHIKEY BJEPYKJPYRNKOW-LBPDFUHNSA-N
 AC$INSTRUMENT: GCMS-QP2010 Ultra (Shimadzu, Kyoto, Japan)
diff --git a/MSSJ/MSBNK-MSSJ-MSJ00718.txt b/MSSJ/MSBNK-MSSJ-MSJ00718.txt
index fce668ee697..58856b33673 100644
--- a/MSSJ/MSBNK-MSSJ-MSJ00718.txt
+++ b/MSSJ/MSBNK-MSSJ-MSJ00718.txt
@@ -12,7 +12,7 @@ CH$NAME: Malic acid-[1,2,3,4-13C4]
 CH$COMPOUND_CLASS: In vitro synthetic compound
 CH$FORMULA: C4H6O5
 CH$EXACT_MASS: 134.02153
-CH$SMILES: O=C(O)C(O)CC(=O)O
+CH$SMILES: [13CH2]([13CH]([13C](=O)O)O)[13C](=O)O
 CH$IUPAC: InChI=1S/C4H6O5/c5-2(4(8)9)1-3(6)7/h2,5H,1H2,(H,6,7)(H,8,9)/i1+1,2+1,3+1,4+1
 CH$LINK: CHEMSPIDER 48060182
 CH$LINK: INCHIKEY BJEPYKJPYRNKOW-JCDJMFQYSA-N
diff --git a/MSSJ/MSBNK-MSSJ-MSJ00720.txt b/MSSJ/MSBNK-MSSJ-MSJ00720.txt
index ffe195f26a4..e43e4fbe043 100644
--- a/MSSJ/MSBNK-MSSJ-MSJ00720.txt
+++ b/MSSJ/MSBNK-MSSJ-MSJ00720.txt
@@ -12,7 +12,7 @@ CH$NAME: Citric acid-[1,2,3,4,5,6-13C6]
 CH$COMPOUND_CLASS: In vitro synthetic compound
 CH$FORMULA: C6H8O7
 CH$EXACT_MASS: 192.02701
-CH$SMILES: OC(=O)CC(O)(CC(O)=O)C(=O)O
+CH$SMILES: [13CH2]([13C](=O)O)[13C]([13CH2][13C](=O)O)([13C](=O)O)O
 CH$IUPAC: InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/i1+1,2+1,3+1,4+1,5+1,6+1
 CH$LINK: CHEMSPIDER 17345064
 CH$LINK: INCHIKEY KRKNYBCHXYNGOX-IDEBNGHGSA-N
diff --git a/MSSJ/MSBNK-MSSJ-MSJ00722.txt b/MSSJ/MSBNK-MSSJ-MSJ00722.txt
index 1cbd249d00b..f3ae9d5e962 100644
--- a/MSSJ/MSBNK-MSSJ-MSJ00722.txt
+++ b/MSSJ/MSBNK-MSSJ-MSJ00722.txt
@@ -12,7 +12,7 @@ CH$NAME: Citric acid-[1,2,3,4,5,6-13C6]
 CH$COMPOUND_CLASS: In vitro synthetic compound
 CH$FORMULA: C6H8O7
 CH$EXACT_MASS: 192.02701
-CH$SMILES: OC(=O)CC(O)(CC(O)=O)C(=O)O
+CH$SMILES: [13CH2]([13C](=O)O)[13C]([13CH2][13C](=O)O)([13C](=O)O)O
 CH$IUPAC: InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/i1+1,2+1,3+1,4+1,5+1,6+1
 CH$LINK: CHEMSPIDER 17345064
 CH$LINK: INCHIKEY KRKNYBCHXYNGOX-IDEBNGHGSA-N
diff --git a/MSSJ/MSBNK-MSSJ-MSJ00724.txt b/MSSJ/MSBNK-MSSJ-MSJ00724.txt
index 7d07f000bd8..a0a95b98928 100644
--- a/MSSJ/MSBNK-MSSJ-MSJ00724.txt
+++ b/MSSJ/MSBNK-MSSJ-MSJ00724.txt
@@ -12,7 +12,7 @@ CH$NAME: Citric acid-[1,2,3,4,5,6-13C6]
 CH$COMPOUND_CLASS: In vitro synthetic compound
 CH$FORMULA: C6H8O7
 CH$EXACT_MASS: 192.02701
-CH$SMILES: OC(=O)CC(O)(CC(O)=O)C(=O)O
+CH$SMILES: [13CH2]([13C](=O)O)[13C]([13CH2][13C](=O)O)([13C](=O)O)O
 CH$IUPAC: InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/i1+1,2+1,3+1,4+1,5+1,6+1
 CH$LINK: CHEMSPIDER 17345064
 CH$LINK: INCHIKEY KRKNYBCHXYNGOX-IDEBNGHGSA-N
diff --git a/MSSJ/MSBNK-MSSJ-MSJ00726.txt b/MSSJ/MSBNK-MSSJ-MSJ00726.txt
index 27654fadc7e..9c9672e6fed 100644
--- a/MSSJ/MSBNK-MSSJ-MSJ00726.txt
+++ b/MSSJ/MSBNK-MSSJ-MSJ00726.txt
@@ -12,7 +12,7 @@ CH$NAME: alpha-Ketoglutaric acid-[1,2,3,4-13C4]
 CH$COMPOUND_CLASS: In vitro synthetic compound
 CH$FORMULA: C5H6O5
 CH$EXACT_MASS: 146.02152
-CH$SMILES: OC(=O)C(=O)CCC(=O)O
+CH$SMILES: [13CH2]([13CH2][13C](=O)[13C](=O)O)C(=O)O
 CH$IUPAC: InChI=1S/C5H6O5/c6-3(5(9)10)1-2-4(7)8/h1-2H2,(H,7,8)(H,9,10)/i1+1,2+1,3+1,5+1
 CH$LINK: INCHIKEY KPGXRSRHYNQIFN-SAXDBNRNSA-N
 CH$LINK: PUBCHEM CID:91971603
diff --git a/MSSJ/MSBNK-MSSJ-MSJ00727.txt b/MSSJ/MSBNK-MSSJ-MSJ00727.txt
index 3ce322e7326..2a95a45169d 100644
--- a/MSSJ/MSBNK-MSSJ-MSJ00727.txt
+++ b/MSSJ/MSBNK-MSSJ-MSJ00727.txt
@@ -12,7 +12,7 @@ CH$NAME: alpha-Ketoglutaric acid-[1,2,3,4,5-13C5]
 CH$COMPOUND_CLASS: In vitro synthetic compound
 CH$FORMULA: C5H6O5
 CH$EXACT_MASS: 146.02153
-CH$SMILES: OC(=O)C(=O)CCC(=O)O
+CH$SMILES: [13CH2]([13CH2][13C](=O)O)[13C](=O)[13C](=O)O
 CH$IUPAC: InChI=1S/C5H6O5/c6-3(5(9)10)1-2-4(7)8/h1-2H2,(H,7,8)(H,9,10)/i1+1,2+1,3+1,4+1,5+1
 CH$LINK: CHEMSPIDER 71078928
 CH$LINK: INCHIKEY KPGXRSRHYNQIFN-CVMUNTFWSA-N
diff --git a/MSSJ/MSBNK-MSSJ-MSJ00729.txt b/MSSJ/MSBNK-MSSJ-MSJ00729.txt
index 43611a7fdb7..2a58eae416d 100644
--- a/MSSJ/MSBNK-MSSJ-MSJ00729.txt
+++ b/MSSJ/MSBNK-MSSJ-MSJ00729.txt
@@ -12,7 +12,7 @@ CH$NAME: Succinic acid-[1,2,3,4-13C4]
 CH$COMPOUND_CLASS: In vitro synthetic compound
 CH$FORMULA: C4H6O4
 CH$EXACT_MASS: 118.02661
-CH$SMILES: OC(=O)CCC(O)=O
+CH$SMILES: [13CH2]([13CH2][13C](=O)O)[13C](=O)O
 CH$IUPAC: InChI=1S/C4H6O4/c5-3(6)1-2-4(7)8/h1-2H2,(H,5,6)(H,7,8)/i1+1,2+1,3+1,4+1
 CH$LINK: CHEMSPIDER 17341241
 CH$LINK: INCHIKEY KDYFGRWQOYBRFD-JCDJMFQYSA-N
diff --git a/MSSJ/MSBNK-MSSJ-MSJ00731.txt b/MSSJ/MSBNK-MSSJ-MSJ00731.txt
index af092b3c48f..e95f9eb623d 100644
--- a/MSSJ/MSBNK-MSSJ-MSJ00731.txt
+++ b/MSSJ/MSBNK-MSSJ-MSJ00731.txt
@@ -12,7 +12,7 @@ CH$NAME: Fumaric acid-[1,2,3,4-13C4]
 CH$COMPOUND_CLASS: In vitro synthetic compound
 CH$FORMULA: C4H4O4
 CH$EXACT_MASS: 116.01096
-CH$SMILES: C(=C/C(=O)O)\C(=O)O
+CH$SMILES: [13CH](=[13CH]/[13C](=O)O)\[13C](=O)O
 CH$IUPAC: InChI=1S/C4H4O4/c5-3(6)1-2-4(7)8/h1-2H,(H,5,6)(H,7,8)/b2-1+/i1+1,2+1,3+1,4+1
 CH$LINK: CHEMSPIDER 48063181
 CH$LINK: INCHIKEY VZCYOOQTPOCHFL-BHBLSLFXSA-N
diff --git a/MSSJ/MSBNK-MSSJ-MSJ00733.txt b/MSSJ/MSBNK-MSSJ-MSJ00733.txt
index facc65a6aa8..12773c2f0b8 100644
--- a/MSSJ/MSBNK-MSSJ-MSJ00733.txt
+++ b/MSSJ/MSBNK-MSSJ-MSJ00733.txt
@@ -12,7 +12,7 @@ CH$NAME: Malic acid-[1-13C]
 CH$COMPOUND_CLASS: In vitro synthetic compound
 CH$FORMULA: C4H6O5
 CH$EXACT_MASS: 134.021525
-CH$SMILES: C(C(C(=O)O)O)C(=O)O
+CH$SMILES: C(C([13C](=O)O)O)C(=O)O
 CH$IUPAC: InChI=1S/C4H6O5/c5-2(4(8)9)1-3(6)7/h2,5H,1H2,(H,6,7)(H,8,9)/i4+1
 CH$LINK: INCHIKEY BJEPYKJPYRNKOW-AZXPZELESA-N
 CH$LINK: PUBCHEM CID:25214506
diff --git a/MSSJ/MSBNK-MSSJ-MSJ00734.txt b/MSSJ/MSBNK-MSSJ-MSJ00734.txt
index 423a51fbb89..52234dce070 100644
--- a/MSSJ/MSBNK-MSSJ-MSJ00734.txt
+++ b/MSSJ/MSBNK-MSSJ-MSJ00734.txt
@@ -12,7 +12,7 @@ CH$NAME: Malic acid-[3-13C]
 CH$COMPOUND_CLASS: In vitro synthetic compound
 CH$FORMULA: C4H6O5
 CH$EXACT_MASS: 134.02152
-CH$SMILES: C(C(C(=O)O)O)C(=O)O
+CH$SMILES: [13CH2](C(C(=O)O)O)C(=O)O
 CH$IUPAC: InChI=1S/C4H6O5/c5-2(4(8)9)1-3(6)7/h2,5H,1H2,(H,6,7)(H,8,9)/i1+1
 CH$LINK: INCHIKEY BJEPYKJPYRNKOW-OUBTZVSYSA-N
 CH$LINK: PUBCHEM CID:153695700
diff --git a/MSSJ/MSBNK-MSSJ-MSJ00735.txt b/MSSJ/MSBNK-MSSJ-MSJ00735.txt
index 29852c06396..4b6a53a9bdc 100644
--- a/MSSJ/MSBNK-MSSJ-MSJ00735.txt
+++ b/MSSJ/MSBNK-MSSJ-MSJ00735.txt
@@ -12,7 +12,7 @@ CH$NAME: Malic acid-[4-13C]
 CH$COMPOUND_CLASS: In vitro synthetic compound
 CH$FORMULA: C4H6O5
 CH$EXACT_MASS: 134.02153
-CH$SMILES: C(C(C(=O)O)O)C(=O)O
+CH$SMILES: C(C(C(=O)O)O)[13C](=O)O
 CH$IUPAC: InChI=1S/C4H6O5/c5-2(4(8)9)1-3(6)7/h2,5H,1H2,(H,6,7)(H,8,9)/i3+1
 CH$LINK: INCHIKEY BJEPYKJPYRNKOW-LBPDFUHNSA-N
 AC$INSTRUMENT: GCMS-TQ8040 (Shimadzu, Kyoto, Japan)
diff --git a/MSSJ/MSBNK-MSSJ-MSJ00736.txt b/MSSJ/MSBNK-MSSJ-MSJ00736.txt
index 2ee1eebf66c..c6a028b1552 100644
--- a/MSSJ/MSBNK-MSSJ-MSJ00736.txt
+++ b/MSSJ/MSBNK-MSSJ-MSJ00736.txt
@@ -12,7 +12,7 @@ CH$NAME: Malic acid-[1,2,3,4-13C4]
 CH$COMPOUND_CLASS: In vitro synthetic compound
 CH$FORMULA: C4H6O5
 CH$EXACT_MASS: 134.02152
-CH$SMILES: C(C(C(=O)O)O)C(=O)O
+CH$SMILES: [13CH2]([13CH]([13C](=O)O)O)[13C](=O)O
 CH$IUPAC: InChI=1S/C4H6O5/c5-2(4(8)9)1-3(6)7/h2,5H,1H2,(H,6,7)(H,8,9)/i1+1,2+1,3+1,4+1
 CH$LINK: CHEMSPIDER 48060182
 CH$LINK: INCHIKEY BJEPYKJPYRNKOW-JCDJMFQYSA-N
diff --git a/MSSJ/MSBNK-MSSJ-MSJ00738.txt b/MSSJ/MSBNK-MSSJ-MSJ00738.txt
index 0ce678b1a6b..53be2def2c0 100644
--- a/MSSJ/MSBNK-MSSJ-MSJ00738.txt
+++ b/MSSJ/MSBNK-MSSJ-MSJ00738.txt
@@ -12,7 +12,7 @@ CH$NAME: Malic acid-[1-13C]
 CH$COMPOUND_CLASS: In vitro synthetic compound
 CH$FORMULA: C4H6O5
 CH$EXACT_MASS: 134.02152
-CH$SMILES: C(C(C(=O)O)O)C(=O)O
+CH$SMILES: C(C([13C](=O)O)O)C(=O)O
 CH$IUPAC: InChI=1S/C4H6O5/c5-2(4(8)9)1-3(6)7/h2,5H,1H2,(H,6,7)(H,8,9)/i4+1
 CH$LINK: INCHIKEY BJEPYKJPYRNKOW-AZXPZELESA-N
 CH$LINK: PUBCHEM CID:25214506
diff --git a/MSSJ/MSBNK-MSSJ-MSJ00739.txt b/MSSJ/MSBNK-MSSJ-MSJ00739.txt
index f246b22824d..1eeb686ddcf 100644
--- a/MSSJ/MSBNK-MSSJ-MSJ00739.txt
+++ b/MSSJ/MSBNK-MSSJ-MSJ00739.txt
@@ -12,7 +12,7 @@ CH$NAME: Malic acid-[2-13C]
 CH$COMPOUND_CLASS: In vitro synthetic compound
 CH$FORMULA: C4H6O5
 CH$EXACT_MASS: 134.02153
-CH$SMILES: C(C(C(=O)O)O)C(=O)O
+CH$SMILES: C([13CH](C(=O)O)O)C(=O)O
 CH$IUPAC: InChI=1S/C4H6O5/c5-2(4(8)9)1-3(6)7/h2,5H,1H2,(H,6,7)(H,8,9)/i2+1
 CH$LINK: CHEMSPIDER 49071373
 CH$LINK: INCHIKEY BJEPYKJPYRNKOW-VQEHIDDOSA-N
diff --git a/MSSJ/MSBNK-MSSJ-MSJ00740.txt b/MSSJ/MSBNK-MSSJ-MSJ00740.txt
index d86110c01bb..4c42a61d336 100644
--- a/MSSJ/MSBNK-MSSJ-MSJ00740.txt
+++ b/MSSJ/MSBNK-MSSJ-MSJ00740.txt
@@ -12,7 +12,7 @@ CH$NAME: Malic acid-[3-13C]
 CH$COMPOUND_CLASS: In vitro synthetic compound
 CH$FORMULA: C4H6O5
 CH$EXACT_MASS: 134.02153
-CH$SMILES: C(C(C(=O)O)O)C(=O)O
+CH$SMILES: [13CH2](C(C(=O)O)O)C(=O)O
 CH$IUPAC: InChI=1S/C4H6O5/c5-2(4(8)9)1-3(6)7/h2,5H,1H2,(H,6,7)(H,8,9)/i1+1
 CH$LINK: INCHIKEY BJEPYKJPYRNKOW-OUBTZVSYSA-N
 CH$LINK: PUBCHEM CID:153695700
diff --git a/MSSJ/MSBNK-MSSJ-MSJ00741.txt b/MSSJ/MSBNK-MSSJ-MSJ00741.txt
index 1f4d70058ee..9e7dfbfadcb 100644
--- a/MSSJ/MSBNK-MSSJ-MSJ00741.txt
+++ b/MSSJ/MSBNK-MSSJ-MSJ00741.txt
@@ -12,7 +12,7 @@ CH$NAME: Malic acid-[4-13C]
 CH$COMPOUND_CLASS: In vitro synthetic compound
 CH$FORMULA: C4H6O5
 CH$EXACT_MASS: 134.02153
-CH$SMILES: C(C(C(=O)O)O)C(=O)O
+CH$SMILES: C(C(C(=O)O)O)[13C](=O)O
 CH$IUPAC: InChI=1S/C4H6O5/c5-2(4(8)9)1-3(6)7/h2,5H,1H2,(H,6,7)(H,8,9)/i3+1
 CH$LINK: INCHIKEY BJEPYKJPYRNKOW-LBPDFUHNSA-N
 AC$INSTRUMENT: GCMS-TQ8040 (Shimadzu, Kyoto, Japan)
diff --git a/MSSJ/MSBNK-MSSJ-MSJ00742.txt b/MSSJ/MSBNK-MSSJ-MSJ00742.txt
index 84d5bb7fe02..e281533a1c4 100644
--- a/MSSJ/MSBNK-MSSJ-MSJ00742.txt
+++ b/MSSJ/MSBNK-MSSJ-MSJ00742.txt
@@ -12,7 +12,7 @@ CH$NAME: Malic acid-[1,2,3,4-13C4]
 CH$COMPOUND_CLASS: In vitro synthetic compound
 CH$FORMULA: C4H6O5
 CH$EXACT_MASS: 134.02153
-CH$SMILES: C(C(C(=O)O)O)C(=O)O
+CH$SMILES: [13CH2]([13CH]([13C](=O)O)O)[13C](=O)O
 CH$IUPAC: InChI=1S/C4H6O5/c5-2(4(8)9)1-3(6)7/h2,5H,1H2,(H,6,7)(H,8,9)/i1+1,2+1,3+1,4+1
 CH$LINK: CHEMSPIDER 48060182
 CH$LINK: INCHIKEY BJEPYKJPYRNKOW-JCDJMFQYSA-N
diff --git a/MSSJ/MSBNK-MSSJ-MSJ00744.txt b/MSSJ/MSBNK-MSSJ-MSJ00744.txt
index a7aed819171..0dd08fdf4b4 100644
--- a/MSSJ/MSBNK-MSSJ-MSJ00744.txt
+++ b/MSSJ/MSBNK-MSSJ-MSJ00744.txt
@@ -12,7 +12,7 @@ CH$NAME: Citric acid-[1-13C]
 CH$COMPOUND_CLASS: In vitro synthetic compound
 CH$FORMULA: C6H8O7
 CH$EXACT_MASS: 192.02701
-CH$SMILES: OC(=O)CC(O)(CC(O)=O)C(O)=O
+CH$SMILES: C(C(=O)O)C(C[13C](=O)O)(C(=O)O)O
 CH$IUPAC: InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/i3+1
 CH$LINK: CHEMSPIDER 8165754
 CH$LINK: INCHIKEY KRKNYBCHXYNGOX-LBPDFUHNSA-N
diff --git a/MSSJ/MSBNK-MSSJ-MSJ00745.txt b/MSSJ/MSBNK-MSSJ-MSJ00745.txt
index 55095d2f216..a11c6796fb5 100644
--- a/MSSJ/MSBNK-MSSJ-MSJ00745.txt
+++ b/MSSJ/MSBNK-MSSJ-MSJ00745.txt
@@ -1,5 +1,5 @@
 ACCESSION: MSBNK-MSSJ-MSJ00745
-RECORD_TITLE: Citric acid-[5-13C]; GC-EI-QQ; MS2; POSITIVE; CID 10 V; 4 TBDMS-derivative; [M-189]+
+RECORD_TITLE: Citric acid-[1-13C]; GC-EI-QQ; MS2; POSITIVE; CID 10 V; 4 TBDMS-derivative; [M-189]+
 DATE: 2021.10.19
 AUTHORS: Nobuyuki Okahashi and Fumio Matsuda, Osaka University
 LICENSE: CC BY
@@ -8,11 +8,11 @@ PUBLICATION: Nobuyuki Okahashi et al. Mass Spectrometry 2019 vol. 8, A0073.
 COMMENT: The sample analyzed is labeled with 13C at the carbon atom 5.
 COMMENT: Annotation of fragment ions (PK$ANNOTATION) is based on Supplemental material page 21 of the publication.
 COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 21HP8020 to the Mass Spectrometry Society of Japan.
-CH$NAME: Citric acid-[5-13C]
+CH$NAME: Citric acid-[1-13C]
 CH$COMPOUND_CLASS: In vitro synthetic compound
 CH$FORMULA: C6H8O7
 CH$EXACT_MASS: 192.02701
-CH$SMILES: OC(=O)CC(O)(CC(O)=O)C(O)=O
+CH$SMILES: C(C(=O)O)C(C[13C](=O)O)(C(=O)O)O
 CH$IUPAC: InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/i3+1
 CH$LINK: CHEMSPIDER 8165754
 CH$LINK: INCHIKEY KRKNYBCHXYNGOX-LBPDFUHNSA-N
diff --git a/MSSJ/MSBNK-MSSJ-MSJ00746.txt b/MSSJ/MSBNK-MSSJ-MSJ00746.txt
index 3366ca2408b..f880a7028da 100644
--- a/MSSJ/MSBNK-MSSJ-MSJ00746.txt
+++ b/MSSJ/MSBNK-MSSJ-MSJ00746.txt
@@ -12,7 +12,7 @@ CH$NAME: Citric acid-[6-13C]
 CH$COMPOUND_CLASS: In vitro synthetic compound
 CH$FORMULA: C6H8O7
 CH$EXACT_MASS: 192.02701
-CH$SMILES: OC(=O)CC(O)(CC(O)=O)C(O)=O
+CH$SMILES: C(C(=O)O)C(CC(=O)O)([13C](=O)O)O
 CH$IUPAC: InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/i5+1
 CH$LINK: INCHIKEY KRKNYBCHXYNGOX-HOSYLAQJSA-N
 AC$INSTRUMENT: GCMS-TQ8040 (Shimadzu, Kyoto, Japan)
diff --git a/MSSJ/MSBNK-MSSJ-MSJ00747.txt b/MSSJ/MSBNK-MSSJ-MSJ00747.txt
index f213b78cb0e..3aacb2b9172 100644
--- a/MSSJ/MSBNK-MSSJ-MSJ00747.txt
+++ b/MSSJ/MSBNK-MSSJ-MSJ00747.txt
@@ -12,7 +12,7 @@ CH$NAME: Citric acid-[1,5-13C2]
 CH$COMPOUND_CLASS: In vitro synthetic compound
 CH$FORMULA: C6H8O7
 CH$EXACT_MASS: 192.02701
-CH$SMILES: OC(=O)CC(O)(CC(O)=O)C(O)=O
+CH$SMILES: C([13C](=O)O)C(C[13C](=O)O)(C(=O)O)O
 CH$IUPAC: InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/i3+1,4+1
 CH$LINK: CHEMSPIDER 8488970
 CH$LINK: INCHIKEY KRKNYBCHXYNGOX-CQDYUVAPSA-N
diff --git a/MSSJ/MSBNK-MSSJ-MSJ00748.txt b/MSSJ/MSBNK-MSSJ-MSJ00748.txt
index 6bc8e3598bb..5e0f1bc000b 100644
--- a/MSSJ/MSBNK-MSSJ-MSJ00748.txt
+++ b/MSSJ/MSBNK-MSSJ-MSJ00748.txt
@@ -12,7 +12,7 @@ CH$NAME: Citric acid-[1,2,3,4,5,6-13C6]
 CH$COMPOUND_CLASS: In vitro synthetic compound
 CH$FORMULA: C6H8O7
 CH$EXACT_MASS: 192.02701
-CH$SMILES: OC(=O)CC(O)(CC(O)=O)C(O)=O
+CH$SMILES: [13CH2]([13C](=O)O)[13C]([13CH2][13C](=O)O)([13C](=O)O)O
 CH$IUPAC: InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/i1+1,2+1,3+1,4+1,5+1,6+1
 CH$LINK: CHEMSPIDER 17345064
 CH$LINK: INCHIKEY KRKNYBCHXYNGOX-IDEBNGHGSA-N
diff --git a/MSSJ/MSBNK-MSSJ-MSJ00750.txt b/MSSJ/MSBNK-MSSJ-MSJ00750.txt
index f82fd6a5dbf..36cc8ab4dab 100644
--- a/MSSJ/MSBNK-MSSJ-MSJ00750.txt
+++ b/MSSJ/MSBNK-MSSJ-MSJ00750.txt
@@ -12,7 +12,7 @@ CH$NAME: Citric acid-[1-13C]
 CH$COMPOUND_CLASS: In vitro synthetic compound
 CH$FORMULA: C6H8O7
 CH$EXACT_MASS: 192.02701
-CH$SMILES: OC(=O)CC(O)(CC(O)=O)C(O)=O
+CH$SMILES: C(C(=O)O)C(C[13C](=O)O)(C(=O)O)O
 CH$IUPAC: InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/i3+1
 CH$LINK: CHEMSPIDER 8165754
 CH$LINK: INCHIKEY KRKNYBCHXYNGOX-LBPDFUHNSA-N
diff --git a/MSSJ/MSBNK-MSSJ-MSJ00751.txt b/MSSJ/MSBNK-MSSJ-MSJ00751.txt
index d9bd65ba10d..4138ad09821 100644
--- a/MSSJ/MSBNK-MSSJ-MSJ00751.txt
+++ b/MSSJ/MSBNK-MSSJ-MSJ00751.txt
@@ -1,5 +1,5 @@
 ACCESSION: MSBNK-MSSJ-MSJ00751
-RECORD_TITLE: Citric acid-[5-13C]; GC-EI-QQ; MS2; POSITIVE; CID 10 V; 4 TBDMS-derivative; [M-291]+
+RECORD_TITLE: Citric acid-[1-13C]; GC-EI-QQ; MS2; POSITIVE; CID 10 V; 4 TBDMS-derivative; [M-291]+
 DATE: 2021.09.30
 AUTHORS: Nobuyuki Okahashi and Fumio Matsuda, Osaka University
 LICENSE: CC BY
@@ -8,11 +8,11 @@ PUBLICATION: Nobuyuki Okahashi et al. Mass Spectrometry 2019 vol. 8, A0073.
 COMMENT: The sample analyzed is labeled with 13C at the carbon atom 5.
 COMMENT: Annotation of fragment ions (PK$ANNOTATION) is based on Table 1 and Supplemental material page 22 of the publication.
 COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 21HP8020 to the Mass Spectrometry Society of Japan.
-CH$NAME: Citric acid-[5-13C]
+CH$NAME: Citric acid-[1-13C]
 CH$COMPOUND_CLASS: In vitro synthetic compound
 CH$FORMULA: C6H8O7
 CH$EXACT_MASS: 192.02701
-CH$SMILES: OC(=O)CC(O)(CC(O)=O)C(O)=O
+CH$SMILES: C(C(=O)O)C(C[13C](=O)O)(C(=O)O)O
 CH$IUPAC: InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/i3+1
 CH$LINK: CHEMSPIDER 8165754
 CH$LINK: INCHIKEY KRKNYBCHXYNGOX-LBPDFUHNSA-N
diff --git a/MSSJ/MSBNK-MSSJ-MSJ00752.txt b/MSSJ/MSBNK-MSSJ-MSJ00752.txt
index fb8070713ba..f0f9b2fe512 100644
--- a/MSSJ/MSBNK-MSSJ-MSJ00752.txt
+++ b/MSSJ/MSBNK-MSSJ-MSJ00752.txt
@@ -12,7 +12,7 @@ CH$NAME: Citric acid-[6-13C]
 CH$COMPOUND_CLASS: In vitro synthetic compound
 CH$FORMULA: C6H8O7
 CH$EXACT_MASS: 192.0270
-CH$SMILES: OC(=O)CC(O)(CC(O)=O)C(O)=O
+CH$SMILES: C(C(=O)O)C(CC(=O)O)([13C](=O)O)O
 CH$IUPAC: InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/i5+1
 CH$LINK: INCHIKEY KRKNYBCHXYNGOX-HOSYLAQJSA-N
 AC$INSTRUMENT: GCMS-TQ8040 (Shimadzu, Kyoto, Japan)
diff --git a/MSSJ/MSBNK-MSSJ-MSJ00753.txt b/MSSJ/MSBNK-MSSJ-MSJ00753.txt
index 7c661fbd170..c69590499ad 100644
--- a/MSSJ/MSBNK-MSSJ-MSJ00753.txt
+++ b/MSSJ/MSBNK-MSSJ-MSJ00753.txt
@@ -12,7 +12,7 @@ CH$NAME: Citric acid-[1,5-13C2]
 CH$COMPOUND_CLASS: In vitro synthetic compound
 CH$FORMULA: C6H8O7
 CH$EXACT_MASS: 192.02701
-CH$SMILES: OC(=O)CC(O)(CC(O)=O)C(O)=O
+CH$SMILES: C([13C](=O)O)C(C[13C](=O)O)(C(=O)O)O
 CH$IUPAC: InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/i3+1,4+1
 CH$LINK: CAS 302912-06-7
 CH$LINK: CHEMSPIDER 8488970
diff --git a/MSSJ/MSBNK-MSSJ-MSJ00756.txt b/MSSJ/MSBNK-MSSJ-MSJ00756.txt
index a4f855b817a..fe3e230f33f 100644
--- a/MSSJ/MSBNK-MSSJ-MSJ00756.txt
+++ b/MSSJ/MSBNK-MSSJ-MSJ00756.txt
@@ -12,7 +12,7 @@ CH$NAME: alpha-ketoglutaric acid-[1,2,3,4-13C4]
 CH$COMPOUND_CLASS: In vitro synthetic compound
 CH$FORMULA: C5H6O5
 CH$EXACT_MASS: 146.02152
-CH$SMILES: OC(=O)C(=O)CCC(=O)O
+CH$SMILES: [13CH2]([13CH2][13C](=O)[13C](=O)O)C(=O)O
 CH$IUPAC: InChI=1S/C5H6O5/c6-3(5(9)10)1-2-4(7)8/h1-2H2,(H,7,8)(H,9,10)/i1+1,2+1,3+1,5+1
 CH$LINK: INCHIKEY KPGXRSRHYNQIFN-SAXDBNRNSA-N
 CH$LINK: PUBCHEM CID:91971603
diff --git a/MSSJ/MSBNK-MSSJ-MSJ00757.txt b/MSSJ/MSBNK-MSSJ-MSJ00757.txt
index 784bb1ecb4d..5f462ada92d 100644
--- a/MSSJ/MSBNK-MSSJ-MSJ00757.txt
+++ b/MSSJ/MSBNK-MSSJ-MSJ00757.txt
@@ -12,7 +12,7 @@ CH$NAME: alpha-Ketoglutaric acid-[1,2,3,4,5-13C5]
 CH$COMPOUND_CLASS: In vitro synthetic compound
 CH$FORMULA: C5H6O5
 CH$EXACT_MASS: 146.02152
-CH$SMILES: OC(=O)C(=O)CCC(=O)O
+CH$SMILES: [13CH2]([13CH2][13C](=O)O)[13C](=O)[13C](=O)O
 CH$IUPAC: InChI=1S/C5H6O5/c6-3(5(9)10)1-2-4(7)8/h1-2H2,(H,7,8)(H,9,10)/i1+1,2+1,3+1,4+1,5+1
 CH$LINK: CHEMSPIDER 71078928
 CH$LINK: INCHIKEY KPGXRSRHYNQIFN-CVMUNTFWSA-N
diff --git a/MSSJ/MSBNK-MSSJ-MSJ00759.txt b/MSSJ/MSBNK-MSSJ-MSJ00759.txt
index ba52c4b30f0..c7c690d1eb3 100644
--- a/MSSJ/MSBNK-MSSJ-MSJ00759.txt
+++ b/MSSJ/MSBNK-MSSJ-MSJ00759.txt
@@ -12,7 +12,7 @@ CH$NAME: alpha-Ketoglutaric acid-[1,2,3,4-13C4]
 CH$COMPOUND_CLASS: In vitro synthetic compound
 CH$FORMULA: C5H6O5
 CH$EXACT_MASS: 146.02152
-CH$SMILES: OC(=O)C(=O)CCC(=O)O
+CH$SMILES: [13CH2]([13CH2][13C](=O)[13C](=O)O)C(=O)O
 CH$IUPAC: InChI=1S/C5H6O5/c6-3(5(9)10)1-2-4(7)8/h1-2H2,(H,7,8)(H,9,10)/i1+1,2+1,3+1,5+1
 CH$LINK: INCHIKEY KPGXRSRHYNQIFN-SAXDBNRNSA-N
 CH$LINK: PUBCHEM CID:91971603
diff --git a/MSSJ/MSBNK-MSSJ-MSJ00760.txt b/MSSJ/MSBNK-MSSJ-MSJ00760.txt
index 87d21f5476e..a93c24dab46 100644
--- a/MSSJ/MSBNK-MSSJ-MSJ00760.txt
+++ b/MSSJ/MSBNK-MSSJ-MSJ00760.txt
@@ -12,7 +12,7 @@ CH$NAME: alpha-Ketoglutaric acid-[1,2,3,4,5-13C5]
 CH$COMPOUND_CLASS: In vitro synthetic compound
 CH$FORMULA: C5H6O5
 CH$EXACT_MASS: 146.02152
-CH$SMILES: OC(=O)C(=O)CCC(=O)O
+CH$SMILES: [13CH2]([13CH2][13C](=O)O)[13C](=O)[13C](=O)O
 CH$IUPAC: InChI=1S/C5H6O5/c6-3(5(9)10)1-2-4(7)8/h1-2H2,(H,7,8)(H,9,10)/i1+1,2+1,3+1,4+1,5+1
 CH$LINK: CHEMSPIDER 71078928
 CH$LINK: INCHIKEY KPGXRSRHYNQIFN-CVMUNTFWSA-N
diff --git a/MSSJ/MSBNK-MSSJ-MSJ00762.txt b/MSSJ/MSBNK-MSSJ-MSJ00762.txt
index 624405db854..6dafbdc24bb 100644
--- a/MSSJ/MSBNK-MSSJ-MSJ00762.txt
+++ b/MSSJ/MSBNK-MSSJ-MSJ00762.txt
@@ -12,7 +12,7 @@ CH$NAME: Succinic acid-[1,2,3,4-13C4]
 CH$COMPOUND_CLASS: In vitro synthetic compound
 CH$FORMULA: C4H6O4
 CH$EXACT_MASS: 118.02661
-CH$SMILES: O=C(O)CCC(=O)O
+CH$SMILES: [13CH2]([13CH2][13C](=O)O)[13C](=O)O
 CH$IUPAC: InChI=1S/C4H6O4/c5-3(6)1-2-4(7)8/h1-2H2,(H,5,6)(H,7,8)/i1+1,2+1,3+1,4+1
 CH$LINK: CAS 201595-67-7
 CH$LINK: CHEMSPIDER 17341241
diff --git a/MSSJ/MSBNK-MSSJ-MSJ00764.txt b/MSSJ/MSBNK-MSSJ-MSJ00764.txt
index 02c8887b450..01fc93fefc4 100644
--- a/MSSJ/MSBNK-MSSJ-MSJ00764.txt
+++ b/MSSJ/MSBNK-MSSJ-MSJ00764.txt
@@ -12,7 +12,7 @@ CH$NAME: Fumaric acid-[1,2,3,4-13C4]
 CH$COMPOUND_CLASS: in Vitro synthetic compound
 CH$FORMULA: C4H4O4
 CH$EXACT_MASS: 116.01096
-CH$SMILES: O=C(O)/C=C/C(=O)O
+CH$SMILES: [13CH](=[13CH]/[13C](=O)O)\[13C](=O)O
 CH$IUPAC: InChI=1S/C4H4O4/c5-3(6)1-2-4(7)8/h1-2H,(H,5,6)(H,7,8)/b2-1+/i1+1,2+1,3+1,4+1
 CH$LINK: CAS 201595-62-2
 CH$LINK: CHEMSPIDER 48063181
diff --git a/MSSJ/MSBNK-MSSJ-MSJ00766.txt b/MSSJ/MSBNK-MSSJ-MSJ00766.txt
index f53c58b4c93..fab992b7738 100644
--- a/MSSJ/MSBNK-MSSJ-MSJ00766.txt
+++ b/MSSJ/MSBNK-MSSJ-MSJ00766.txt
@@ -12,7 +12,7 @@ CH$NAME: Malic acid-[1-13C]
 CH$COMPOUND_CLASS: in Vitro synthetic compound
 CH$FORMULA: C4H6O5
 CH$EXACT_MASS: 134.02153
-CH$SMILES: C(C(C(=O)O)O)C(=O)O
+CH$SMILES: C(C([13C](=O)O)O)C(=O)O
 CH$IUPAC: InChI=1S/C4H6O5/c5-2(4(8)9)1-3(6)7/h2,5H,1H2,(H,6,7)(H,8,9)/i4+1
 CH$LINK: CAS 180991-05-3
 CH$LINK: INCHIKEY BJEPYKJPYRNKOW-AZXPZELESA-N
diff --git a/MSSJ/MSBNK-MSSJ-MSJ00767.txt b/MSSJ/MSBNK-MSSJ-MSJ00767.txt
index 1e813f803f2..88e9d4f976a 100644
--- a/MSSJ/MSBNK-MSSJ-MSJ00767.txt
+++ b/MSSJ/MSBNK-MSSJ-MSJ00767.txt
@@ -12,7 +12,7 @@ CH$NAME: Malic acid-[2-13C]
 CH$COMPOUND_CLASS: In vitro synthetic compound
 CH$FORMULA: C4H6O5
 CH$EXACT_MASS: 134.02153
-CH$SMILES: C(C(C(=O)O)O)C(=O)O
+CH$SMILES: C([13CH](C(=O)O)O)C(=O)O
 CH$IUPAC: InChI=1S/C4H6O5/c5-2(4(8)9)1-3(6)7/h2,5H,1H2,(H,6,7)(H,8,9)/i2+1
 CH$LINK: CAS 143435-96-5
 CH$LINK: CHEMSPIDER 49071373
diff --git a/MSSJ/MSBNK-MSSJ-MSJ00768.txt b/MSSJ/MSBNK-MSSJ-MSJ00768.txt
index ef2c8e5de3f..aff443638d5 100644
--- a/MSSJ/MSBNK-MSSJ-MSJ00768.txt
+++ b/MSSJ/MSBNK-MSSJ-MSJ00768.txt
@@ -12,7 +12,7 @@ CH$NAME: Malic acid-[3-13C]
 CH$COMPOUND_CLASS: In vitro synthetic compound
 CH$FORMULA: C4H6O5
 CH$EXACT_MASS: 134.02153
-CH$SMILES: C(C(C(=O)O)O)C(=O)O
+CH$SMILES: [13CH2](C(C(=O)O)O)C(=O)O
 CH$IUPAC: InChI=1S/C4H6O5/c5-2(4(8)9)1-3(6)7/h2,5H,1H2,(H,6,7)(H,8,9)/i1+1
 CH$LINK: INCHIKEY BJEPYKJPYRNKOW-OUBTZVSYSA-N
 CH$LINK: PUBCHEM CID:153695700
diff --git a/MSSJ/MSBNK-MSSJ-MSJ00769.txt b/MSSJ/MSBNK-MSSJ-MSJ00769.txt
index 192f6e2f9a3..8f6efd4c63c 100644
--- a/MSSJ/MSBNK-MSSJ-MSJ00769.txt
+++ b/MSSJ/MSBNK-MSSJ-MSJ00769.txt
@@ -12,7 +12,7 @@ CH$NAME: Malic acid-[4-13C]
 CH$COMPOUND_CLASS: In vitro synthetic compound
 CH$FORMULA: C4H6O5
 CH$EXACT_MASS: 134.02153
-CH$SMILES: C(C(C(=O)O)O)C(=O)O
+CH$SMILES: C(C(C(=O)O)O)[13C](=O)O
 CH$IUPAC: InChI=1S/C4H6O5/c5-2(4(8)9)1-3(6)7/h2,5H,1H2,(H,6,7)(H,8,9)/i3+1
 CH$LINK: INCHIKEY BJEPYKJPYRNKOW-LBPDFUHNSA-N
 AC$INSTRUMENT: GCMS-TQ8040 (Shimadzu, Kyoto, Japan)
diff --git a/MSSJ/MSBNK-MSSJ-MSJ00770.txt b/MSSJ/MSBNK-MSSJ-MSJ00770.txt
index 78e76ef931e..ef55a79252e 100644
--- a/MSSJ/MSBNK-MSSJ-MSJ00770.txt
+++ b/MSSJ/MSBNK-MSSJ-MSJ00770.txt
@@ -12,7 +12,7 @@ CH$NAME: Malic acid-[1,2,3,4-13C4]
 CH$COMPOUND_CLASS: In vitro synthetic compound
 CH$FORMULA: C4H6O5
 CH$EXACT_MASS: 134.02153
-CH$SMILES: C(C(C(=O)O)O)C(=O)O
+CH$SMILES: [13CH2]([13CH]([13C](=O)O)O)[13C](=O)O
 CH$IUPAC: InChI=1S/C4H6O5/c5-2(4(8)9)1-3(6)7/h2,5H,1H2,(H,6,7)(H,8,9)/i1+1,2+1,3+1,4+1
 CH$LINK: CHEMSPIDER 48060182
 CH$LINK: INCHIKEY BJEPYKJPYRNKOW-JCDJMFQYSA-N
diff --git a/MSSJ/MSBNK-MSSJ-MSJ00772.txt b/MSSJ/MSBNK-MSSJ-MSJ00772.txt
index c41487c98f7..bb6dff12935 100644
--- a/MSSJ/MSBNK-MSSJ-MSJ00772.txt
+++ b/MSSJ/MSBNK-MSSJ-MSJ00772.txt
@@ -12,7 +12,7 @@ CH$NAME: Malic acid-[1-13C]
 CH$COMPOUND_CLASS: In vitro synthetic compound
 CH$FORMULA: C4H6O5
 CH$EXACT_MASS: 134.02153
-CH$SMILES: C(C(C(=O)O)O)C(=O)O
+CH$SMILES: C(C([13C](=O)O)O)C(=O)O
 CH$IUPAC: InChI=1S/C4H6O5/c5-2(4(8)9)1-3(6)7/h2,5H,1H2,(H,6,7)(H,8,9)/i4+1
 CH$LINK: CAS 180991-05-3
 CH$LINK: INCHIKEY BJEPYKJPYRNKOW-AZXPZELESA-N
diff --git a/MSSJ/MSBNK-MSSJ-MSJ00773.txt b/MSSJ/MSBNK-MSSJ-MSJ00773.txt
index a4bd6cc71c3..61a99ced210 100644
--- a/MSSJ/MSBNK-MSSJ-MSJ00773.txt
+++ b/MSSJ/MSBNK-MSSJ-MSJ00773.txt
@@ -12,7 +12,7 @@ CH$NAME: Malic acid-[2-13C]
 CH$COMPOUND_CLASS: In vitro synthetic compound
 CH$FORMULA: C4H6O5
 CH$EXACT_MASS: 134.02153
-CH$SMILES: C(C(C(=O)O)O)C(=O)O
+CH$SMILES: C([13CH](C(=O)O)O)C(=O)O
 CH$IUPAC: InChI=1S/C4H6O5/c5-2(4(8)9)1-3(6)7/h2,5H,1H2,(H,6,7)(H,8,9)/i2+1
 CH$LINK: CAS 143435-96-5
 CH$LINK: CHEMSPIDER 49071373
diff --git a/MSSJ/MSBNK-MSSJ-MSJ00774.txt b/MSSJ/MSBNK-MSSJ-MSJ00774.txt
index 4974e720953..6d2812e102b 100644
--- a/MSSJ/MSBNK-MSSJ-MSJ00774.txt
+++ b/MSSJ/MSBNK-MSSJ-MSJ00774.txt
@@ -12,7 +12,7 @@ CH$NAME: Malic acid-[3-13C]
 CH$COMPOUND_CLASS: In vitro synthetic compound
 CH$FORMULA: C4H6O5
 CH$EXACT_MASS: 134.02153
-CH$SMILES: C(C(C(=O)O)O)C(=O)O
+CH$SMILES: [13CH2](C(C(=O)O)O)C(=O)O
 CH$IUPAC: InChI=1S/C4H6O5/c5-2(4(8)9)1-3(6)7/h2,5H,1H2,(H,6,7)(H,8,9)/i1+1
 CH$LINK: INCHIKEY BJEPYKJPYRNKOW-OUBTZVSYSA-N
 CH$LINK: PUBCHEM CID:153695700
diff --git a/MSSJ/MSBNK-MSSJ-MSJ00775.txt b/MSSJ/MSBNK-MSSJ-MSJ00775.txt
index 21fed12711c..f2cd529a337 100644
--- a/MSSJ/MSBNK-MSSJ-MSJ00775.txt
+++ b/MSSJ/MSBNK-MSSJ-MSJ00775.txt
@@ -12,7 +12,7 @@ CH$NAME: Malic acid-[4-13C]
 CH$COMPOUND_CLASS: In vitro synthetic compound
 CH$FORMULA: C4H6O5
 CH$EXACT_MASS: 134.02153
-CH$SMILES: C(C(C(=O)O)O)C(=O)O
+CH$SMILES: C(C(C(=O)O)O)[13C](=O)O
 CH$IUPAC: InChI=1S/C4H6O5/c5-2(4(8)9)1-3(6)7/h2,5H,1H2,(H,6,7)(H,8,9)/i3+1
 CH$LINK: INCHIKEY BJEPYKJPYRNKOW-LBPDFUHNSA-N
 AC$INSTRUMENT: GCMS-TQ8040 (Shimadzu, Kyoto, Japan)
diff --git a/MSSJ/MSBNK-MSSJ-MSJ00776.txt b/MSSJ/MSBNK-MSSJ-MSJ00776.txt
index 5348307c112..7a88e315a5c 100644
--- a/MSSJ/MSBNK-MSSJ-MSJ00776.txt
+++ b/MSSJ/MSBNK-MSSJ-MSJ00776.txt
@@ -12,7 +12,7 @@ CH$NAME: Malic acid-[1,2,3,4-13C4]
 CH$COMPOUND_CLASS: In vitro synthetic compound
 CH$FORMULA: C4H6O5
 CH$EXACT_MASS: 134.02153
-CH$SMILES: C(C(C(=O)O)O)C(=O)O
+CH$SMILES: [13CH2]([13CH]([13C](=O)O)O)[13C](=O)O
 CH$IUPAC: InChI=1S/C4H6O5/c5-2(4(8)9)1-3(6)7/h2,5H,1H2,(H,6,7)(H,8,9)/i1+1,2+1,3+1,4+1
 CH$LINK: CHEMSPIDER 48060182
 CH$LINK: INCHIKEY BJEPYKJPYRNKOW-JCDJMFQYSA-N
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01510.txt b/MSSJ/MSBNK-MSSJ-MSJ01510.txt
new file mode 100644
index 00000000000..506965e4c0f
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01510.txt
@@ -0,0 +1,37 @@
+ACCESSION: MSBNK-MSSJ-MSJ01510
+RECORD_TITLE: Alprazolam; LC-ESI-QQ; MS; ESI; POSITIVE
+DATE: 2023.03.24
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230324_Revised.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Alprazolam
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C17H13ClN4
+CH$EXACT_MASS: 308.08286
+CH$SMILES: CC1=NN=C2N1C3=C(C=C(C=C3)Cl)C(=NC2)C4=CC=CC=C4
+CH$IUPAC: InChI=1S/C17H13ClN4/c1-11-20-21-16-10-19-17(12-5-3-2-4-6-12)14-9-13(18)7-8-15(14)22(11)16/h2-9H,10H2,1H3
+CH$LINK: CAS 28981-97-7
+CH$LINK: CHEMSPIDER 2034
+CH$LINK: INCHIKEY VREFGVBLTWBCJP-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:2118
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoro, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.958 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+PK$SPLASH: splash10-0bt9-0009000000-8320debf649e6202c1cd
+PK$NUM_PEAK: 4
+PK$PEAK: m/z int. rel.int.
+  309 2069339 999
+  310 435750 210
+  311 758999 366
+  312 142335 69
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01511.txt b/MSSJ/MSBNK-MSSJ-MSJ01511.txt
new file mode 100644
index 00000000000..3e2b3200ef8
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01511.txt
@@ -0,0 +1,37 @@
+ACCESSION: MSBNK-MSSJ-MSJ01511
+RECORD_TITLE: Alprazolam; LC-ESI-QQ; MS2; ESI; POSITIVE; CE 10 V; [M+H]+
+DATE: 2023.03.24
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230324_Revised.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Alprazolam
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C17H13ClN4
+CH$EXACT_MASS: 308.08286
+CH$SMILES: CC1=NN=C2N1C3=C(C=C(C=C3)Cl)C(=NC2)C4=CC=CC=C4
+CH$IUPAC: InChI=1S/C17H13ClN4/c1-11-20-21-16-10-19-17(12-5-3-2-4-6-12)14-9-13(18)7-8-15(14)22(11)16/h2-9H,10H2,1H3
+CH$LINK: CAS 28981-97-7
+CH$LINK: CHEMSPIDER 2034
+CH$LINK: INCHIKEY VREFGVBLTWBCJP-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:2118
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoro, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.958 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 309.09014
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-0a4i-0009000000-2a0ec6373c7291c0d490
+PK$NUM_PEAK: 1
+PK$PEAK: m/z int. rel.int.
+  309 4298257 999
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01512.txt b/MSSJ/MSBNK-MSSJ-MSJ01512.txt
new file mode 100644
index 00000000000..2a20946a8b1
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01512.txt
@@ -0,0 +1,42 @@
+ACCESSION: MSBNK-MSSJ-MSJ01512
+RECORD_TITLE: Alprazolam; LC-ESI-QQ; MS2; ESI; POSITIVE; CE 20 V; [M+H]+
+DATE: 2023.03.24
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230324_Revised.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Alprazolam
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C17H13ClN4
+CH$EXACT_MASS: 308.08286
+CH$SMILES: CC1=NN=C2N1C3=C(C=C(C=C3)Cl)C(=NC2)C4=CC=CC=C4
+CH$IUPAC: InChI=1S/C17H13ClN4/c1-11-20-21-16-10-19-17(12-5-3-2-4-6-12)14-9-13(18)7-8-15(14)22(11)16/h2-9H,10H2,1H3
+CH$LINK: CAS 28981-97-7
+CH$LINK: CHEMSPIDER 2034
+CH$LINK: INCHIKEY VREFGVBLTWBCJP-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:2118
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoro, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.958 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 309.09014
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-0a4i-0019000000-0bad458008c03716dd4d
+PK$NUM_PEAK: 6
+PK$PEAK: m/z int. rel.int.
+  165 41857 17
+  206 26641 11
+  241 54558 23
+  274 129220 54
+  281 293192 123
+  309 2388503 999
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01513.txt b/MSSJ/MSBNK-MSSJ-MSJ01513.txt
new file mode 100644
index 00000000000..c54959794d5
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01513.txt
@@ -0,0 +1,66 @@
+ACCESSION: MSBNK-MSSJ-MSJ01513
+RECORD_TITLE: Alprazolam; LC-ESI-QQ; MS2; ESI; POSITIVE; CE 30 V; [M+H]+
+DATE: 2023.03.24
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230324_Revised.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Alprazolam
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C17H13ClN4
+CH$EXACT_MASS: 308.08286
+CH$SMILES: CC1=NN=C2N1C3=C(C=C(C=C3)Cl)C(=NC2)C4=CC=CC=C4
+CH$IUPAC: InChI=1S/C17H13ClN4/c1-11-20-21-16-10-19-17(12-5-3-2-4-6-12)14-9-13(18)7-8-15(14)22(11)16/h2-9H,10H2,1H3
+CH$LINK: CAS 28981-97-7
+CH$LINK: CHEMSPIDER 2034
+CH$LINK: INCHIKEY VREFGVBLTWBCJP-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:2118
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoro, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.958 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 309.09014
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-001i-0190000000-e8a04c31ebb7dab4660f
+PK$NUM_PEAK: 30
+PK$PEAK: m/z int. rel.int.
+  96 10915 16
+  113 11368 16
+  129 9791 14
+  138 35789 52
+  142 7377 11
+  163 12069 17
+  165 88628 128
+  171 7066 10
+  172 7226 10
+  190 8741 13
+  204 20548 30
+  205 115696 168
+  206 22017 32
+  216 13822 20
+  219 16724 24
+  224 17603 25
+  227 11105 16
+  233 19003 28
+  239 11793 17
+  240 22168 32
+  241 43943 64
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+  254 11465 17
+  255 32223 47
+  264 8108 12
+  274 175059 254
+  281 689669 999
+  308 12833 19
+  309 123766 179
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01514.txt b/MSSJ/MSBNK-MSSJ-MSJ01514.txt
new file mode 100644
index 00000000000..7778202c184
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01514.txt
@@ -0,0 +1,92 @@
+ACCESSION: MSBNK-MSSJ-MSJ01514
+RECORD_TITLE: Alprazolam; LC-ESI-QQ; MS2; ESI; POSITIVE; CE 40 V; [M+H]+
+DATE: 2023.03.24
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230324_Revised.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Alprazolam
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C17H13ClN4
+CH$EXACT_MASS: 308.08286
+CH$SMILES: CC1=NN=C2N1C3=C(C=C(C=C3)Cl)C(=NC2)C4=CC=CC=C4
+CH$IUPAC: InChI=1S/C17H13ClN4/c1-11-20-21-16-10-19-17(12-5-3-2-4-6-12)14-9-13(18)7-8-15(14)22(11)16/h2-9H,10H2,1H3
+CH$LINK: CAS 28981-97-7
+CH$LINK: CHEMSPIDER 2034
+CH$LINK: INCHIKEY VREFGVBLTWBCJP-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:2118
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoro, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.958 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 309.09014
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-0a4i-0390000000-c00624ed89db167ed9e6
+PK$NUM_PEAK: 56
+PK$PEAK: m/z int. rel.int.
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+  57 4779 10
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+  129 41452 88
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+  138 42161 90
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+  162 8188 17
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+  165 28041 60
+  166 6955 15
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+  172 7838 17
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+  178 20571 44
+  189 10311 22
+  190 6342 13
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+  198 7581 16
+  203 25248 54
+  204 45276 96
+  205 469806 999
+  206 16380 35
+  213 10946 23
+  216 30664 65
+  217 10922 23
+  218 13702 29
+  219 62697 133
+  224 22312 47
+  227 10750 23
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+  239 35894 76
+  240 31758 68
+  241 32198 68
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+  246 13493 29
+  253 11516 24
+  255 16956 36
+  265 8171 17
+  274 37818 80
+  280 11090 24
+  281 226004 481
+  282 8445 18
+  309 12852 27
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01515.txt b/MSSJ/MSBNK-MSSJ-MSJ01515.txt
new file mode 100644
index 00000000000..b6d3c552d4a
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01515.txt
@@ -0,0 +1,106 @@
+ACCESSION: MSBNK-MSSJ-MSJ01515
+RECORD_TITLE: Alprazolam; LC-ESI-QQ; MS2; ESI; POSITIVE; CE 50 V; [M+H]+
+DATE: 2023.03.24
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230324_Revised.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Alprazolam
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C17H13ClN4
+CH$EXACT_MASS: 308.08286
+CH$SMILES: CC1=NN=C2N1C3=C(C=C(C=C3)Cl)C(=NC2)C4=CC=CC=C4
+CH$IUPAC: InChI=1S/C17H13ClN4/c1-11-20-21-16-10-19-17(12-5-3-2-4-6-12)14-9-13(18)7-8-15(14)22(11)16/h2-9H,10H2,1H3
+CH$LINK: CAS 28981-97-7
+CH$LINK: CHEMSPIDER 2034
+CH$LINK: INCHIKEY VREFGVBLTWBCJP-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:2118
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoro, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.958 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 309.09014
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-0a4i-2890000000-a1fc8b02d861bac6f9d3
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+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01516.txt b/MSSJ/MSBNK-MSSJ-MSJ01516.txt
new file mode 100644
index 00000000000..fcb03a0bf2c
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01516.txt
@@ -0,0 +1,42 @@
+ACCESSION: MSBNK-MSSJ-MSJ01516
+RECORD_TITLE: Estazolam; LC-ESI-QQ; MS; ESI; POSITIVE
+DATE: 2023.03.24
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230324_Revised.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Estazolam
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C16H11ClN4
+CH$EXACT_MASS: 294.06721
+CH$SMILES: C1C2=NN=CN2C3=C(C=C(C=C3)Cl)C(=N1)C4=CC=CC=C4
+CH$IUPAC: InChI=1S/C16H11ClN4/c17-12-6-7-14-13(8-12)16(11-4-2-1-3-5-11)18-9-15-20-19-10-21(14)15/h1-8,10H,9H2
+CH$LINK: CAS 29975-16-4
+CH$LINK: CHEMSPIDER 3146
+CH$LINK: INCHIKEY CDCHDCWJMGXXRH-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:3261
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoro, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.765 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: BASE_PEAK 295.07449
+MS$FOCUSED_ION: ION_TYPE [M+H]+
+PK$SPLASH: splash10-0002-0090000000-59eb6bde31b6703ff240
+PK$NUM_PEAK: 7
+PK$PEAK: m/z int. rel.int.
+  295 4185035 999
+  296 713342 170
+  297 1419646 339
+  298 259776 62
+  317 89206 21
+  333 116427 28
+  335 55958 13
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01517.txt b/MSSJ/MSBNK-MSSJ-MSJ01517.txt
new file mode 100644
index 00000000000..34935134ad9
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01517.txt
@@ -0,0 +1,38 @@
+ACCESSION: MSBNK-MSSJ-MSJ01517
+RECORD_TITLE: Estazolam; LC-ESI-QQ; MS2; ESI; POSITIVE; CE 10 V; [M+H]+
+DATE: 2023.03.24
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230324_Revised.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Estazolam
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C16H11ClN4
+CH$EXACT_MASS: 294.06721
+CH$SMILES: C1C2=NN=CN2C3=C(C=C(C=C3)Cl)C(=N1)C4=CC=CC=C4
+CH$IUPAC: InChI=1S/C16H11ClN4/c17-12-6-7-14-13(8-12)16(11-4-2-1-3-5-11)18-9-15-20-19-10-21(14)15/h1-8,10H,9H2
+CH$LINK: CAS 29975-16-4
+CH$LINK: CHEMSPIDER 3146
+CH$LINK: INCHIKEY CDCHDCWJMGXXRH-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:3261
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoro, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.765 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 295.07449
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-0002-0090000000-16562a3bd4fa75771d4c
+PK$NUM_PEAK: 2
+PK$PEAK: m/z int. rel.int.
+  267 12084 16
+  295 740071 999
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01518.txt b/MSSJ/MSBNK-MSSJ-MSJ01518.txt
new file mode 100644
index 00000000000..b0b0ea75cd0
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01518.txt
@@ -0,0 +1,44 @@
+ACCESSION: MSBNK-MSSJ-MSJ01518
+RECORD_TITLE: Estazolam; LC-ESI-QQ; MS2; ESI; POSITIVE; CE 20 V; [M+H]+
+DATE: 2023.03.24
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230324_Revised.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Estazolam
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C16H11ClN4
+CH$EXACT_MASS: 294.06721
+CH$SMILES: C1C2=NN=CN2C3=C(C=C(C=C3)Cl)C(=N1)C4=CC=CC=C4
+CH$IUPAC: InChI=1S/C16H11ClN4/c17-12-6-7-14-13(8-12)16(11-4-2-1-3-5-11)18-9-15-20-19-10-21(14)15/h1-8,10H,9H2
+CH$LINK: CAS 29975-16-4
+CH$LINK: CHEMSPIDER 3146
+CH$LINK: INCHIKEY CDCHDCWJMGXXRH-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:3261
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoro, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.765 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 295.07449
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-00kb-0090000000-566dccef3af89c464fd2
+PK$NUM_PEAK: 8
+PK$PEAK: m/z int. rel.int.
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+  165 4292 15
+  192 14462 50
+  205 6127 21
+  241 10827 37
+  260 12129 42
+  267 222299 768
+  295 289029 999
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01519.txt b/MSSJ/MSBNK-MSSJ-MSJ01519.txt
new file mode 100644
index 00000000000..69b4fb96c81
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01519.txt
@@ -0,0 +1,60 @@
+ACCESSION: MSBNK-MSSJ-MSJ01519
+RECORD_TITLE: Estazolam; LC-ESI-QQ; MS2; ESI; POSITIVE; CE 30 V; [M+H]+
+DATE: 2023.03.24
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230324_Revised.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Estazolam
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C16H11ClN4
+CH$EXACT_MASS: 294.06721
+CH$SMILES: C1C2=NN=CN2C3=C(C=C(C=C3)Cl)C(=N1)C4=CC=CC=C4
+CH$IUPAC: InChI=1S/C16H11ClN4/c17-12-6-7-14-13(8-12)16(11-4-2-1-3-5-11)18-9-15-20-19-10-21(14)15/h1-8,10H,9H2
+CH$LINK: CAS 29975-16-4
+CH$LINK: CHEMSPIDER 3146
+CH$LINK: INCHIKEY CDCHDCWJMGXXRH-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:3261
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoro, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.765 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 295.07449
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-014i-0190000000-ca501ab04ff4b51fb683
+PK$NUM_PEAK: 24
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+  295 17864 77
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01520.txt b/MSSJ/MSBNK-MSSJ-MSJ01520.txt
new file mode 100644
index 00000000000..9a75f27496a
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01520.txt
@@ -0,0 +1,62 @@
+ACCESSION: MSBNK-MSSJ-MSJ01520
+RECORD_TITLE: Estazolam; LC-ESI-QQ; MS2; ESI; POSITIVE; CE 40 V; [M+H]+
+DATE: 2023.03.24
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230324_Revised.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Estazolam
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C16H11ClN4
+CH$EXACT_MASS: 294.06721
+CH$SMILES: C1C2=NN=CN2C3=C(C=C(C=C3)Cl)C(=N1)C4=CC=CC=C4
+CH$IUPAC: InChI=1S/C16H11ClN4/c17-12-6-7-14-13(8-12)16(11-4-2-1-3-5-11)18-9-15-20-19-10-21(14)15/h1-8,10H,9H2
+CH$LINK: CAS 29975-16-4
+CH$LINK: CHEMSPIDER 3146
+CH$LINK: INCHIKEY CDCHDCWJMGXXRH-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:3261
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoro, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.765 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 295.07449
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-0a4i-0390000000-cd1831fdac854ca22561
+PK$NUM_PEAK: 26
+PK$PEAK: m/z int. rel.int.
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+  265 1486 10
+  267 39716 275
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01521.txt b/MSSJ/MSBNK-MSSJ-MSJ01521.txt
new file mode 100644
index 00000000000..48c321b7097
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01521.txt
@@ -0,0 +1,72 @@
+ACCESSION: MSBNK-MSSJ-MSJ01521
+RECORD_TITLE: Estazolam; LC-ESI-QQ; MS2; ESI; POSITIVE; CE 50 V; [M+H]+
+DATE: 2023.03.24
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230324_Revised.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Estazolam
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C16H11ClN4
+CH$EXACT_MASS: 294.06721
+CH$SMILES: C1C2=NN=CN2C3=C(C=C(C=C3)Cl)C(=N1)C4=CC=CC=C4
+CH$IUPAC: InChI=1S/C16H11ClN4/c17-12-6-7-14-13(8-12)16(11-4-2-1-3-5-11)18-9-15-20-19-10-21(14)15/h1-8,10H,9H2
+CH$LINK: CAS 29975-16-4
+CH$LINK: CHEMSPIDER 3146
+CH$LINK: INCHIKEY CDCHDCWJMGXXRH-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:3261
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoro, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.765 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 295.07449
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-0a4i-0890000000-a30626116657d51926e1
+PK$NUM_PEAK: 36
+PK$PEAK: m/z int. rel.int.
+  75 1336 11
+  77 7985 69
+  89 4130 36
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+  227 1422 12
+  231 3764 32
+  239 10286 89
+  240 6958 60
+  241 1311 11
+  267 5117 44
+  295 1819 16
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01522.txt b/MSSJ/MSBNK-MSSJ-MSJ01522.txt
new file mode 100644
index 00000000000..3942a432a84
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01522.txt
@@ -0,0 +1,39 @@
+ACCESSION: MSBNK-MSSJ-MSJ01522
+RECORD_TITLE: Etizolam; LC-ESI-QQ; MS; ESI; POSITIVE
+DATE: 2023.03.24
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230324_Revised.xlsx file
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Etizolam
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C17H15ClN4S
+CH$EXACT_MASS: 342.07058
+CH$SMILES: CCC1=CC2=C(S1)N3C(=NN=C3CN=C2C4=CC=CC=C4Cl)C
+CH$IUPAC: InChI=1S/C17H15ClN4S/c1-3-11-8-13-16(12-6-4-5-7-14(12)18)19-9-15-21-20-10(2)22(15)17(13)23-11/h4-8H,3,9H2,1-2H3
+CH$LINK: CAS 40054-69-1
+CH$LINK: CHEMSPIDER 3191
+CH$LINK: INCHIKEY VMZUTJCNQWMAGF-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:3307
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoro, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.049 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+PK$SPLASH: splash10-0006-0009000000-75a34988f63662112022
+PK$NUM_PEAK: 6
+PK$PEAK: m/z int. rel.int.
+  228 42858 22
+  343 1955010 999
+  344 346880 177
+  345 650638 332
+  346 123229 63
+  347 28637 15
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01523.txt b/MSSJ/MSBNK-MSSJ-MSJ01523.txt
new file mode 100644
index 00000000000..86c97054d32
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01523.txt
@@ -0,0 +1,37 @@
+ACCESSION: MSBNK-MSSJ-MSJ01523
+RECORD_TITLE: Etizolam; LC-ESI-QQ; MS2; ESI; POSITIVE; CE 10 V; [M+H]+
+DATE: 2023.03.24
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230324_Revised.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Etizolam
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C17H15ClN4S
+CH$EXACT_MASS: 342.07058
+CH$SMILES: CCC1=CC2=C(S1)N3C(=NN=C3CN=C2C4=CC=CC=C4Cl)C
+CH$IUPAC: InChI=1S/C17H15ClN4S/c1-3-11-8-13-16(12-6-4-5-7-14(12)18)19-9-15-21-20-10(2)22(15)17(13)23-11/h4-8H,3,9H2,1-2H3
+CH$LINK: CAS 40054-69-1
+CH$LINK: CHEMSPIDER 3191
+CH$LINK: INCHIKEY VMZUTJCNQWMAGF-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:3307
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoro, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.049 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 343.07786
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-0006-0009000000-31bb70dae126bc41a4b4
+PK$NUM_PEAK: 1
+PK$PEAK: m/z int. rel.int.
+  343 999825 999
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01524.txt b/MSSJ/MSBNK-MSSJ-MSJ01524.txt
new file mode 100644
index 00000000000..da3eb251e42
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01524.txt
@@ -0,0 +1,54 @@
+ACCESSION: MSBNK-MSSJ-MSJ01524
+RECORD_TITLE: Etizolam; LC-ESI-QQ; MS2; ESI; POSITIVE; CE 20 V; [M+H]+
+DATE: 2023.03.24
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230324_Revised.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Etizolam
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C17H15ClN4S
+CH$EXACT_MASS: 342.07058
+CH$SMILES: CCC1=CC2=C(S1)N3C(=NN=C3CN=C2C4=CC=CC=C4Cl)C
+CH$IUPAC: InChI=1S/C17H15ClN4S/c1-3-11-8-13-16(12-6-4-5-7-14(12)18)19-9-15-21-20-10(2)22(15)17(13)23-11/h4-8H,3,9H2,1-2H3
+CH$LINK: CAS 40054-69-1
+CH$LINK: CHEMSPIDER 3191
+CH$LINK: INCHIKEY VMZUTJCNQWMAGF-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:3307
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoro, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.049 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 343.07786
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-0006-0019000000-e60347a79e2f0bdaa45d
+PK$NUM_PEAK: 18
+PK$PEAK: m/z int. rel.int.
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+  310 18914 59
+  314 68768 213
+  315 10889 34
+  326 5462 17
+  343 322870 999
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01525.txt b/MSSJ/MSBNK-MSSJ-MSJ01525.txt
new file mode 100644
index 00000000000..18f15337ac8
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01525.txt
@@ -0,0 +1,123 @@
+ACCESSION: MSBNK-MSSJ-MSJ01525
+RECORD_TITLE: Etizolam; LC-ESI-QQ; MS2; ESI; POSITIVE; CE 30 V; [M+H]+
+DATE: 2023.03.24
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230324_Revised.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Etizolam
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C17H15ClN4S
+CH$EXACT_MASS: 342.07058
+CH$SMILES: CCC1=CC2=C(S1)N3C(=NN=C3CN=C2C4=CC=CC=C4Cl)C
+CH$IUPAC: InChI=1S/C17H15ClN4S/c1-3-11-8-13-16(12-6-4-5-7-14(12)18)19-9-15-21-20-10(2)22(15)17(13)23-11/h4-8H,3,9H2,1-2H3
+CH$LINK: CAS 40054-69-1
+CH$LINK: CHEMSPIDER 3191
+CH$LINK: INCHIKEY VMZUTJCNQWMAGF-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:3307
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoro, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.049 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 343.07786
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-03di-0397000000-b6001f31036bf0337fa9
+PK$NUM_PEAK: 87
+PK$PEAK: m/z int. rel.int.
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+  343 18179 169
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01526.txt b/MSSJ/MSBNK-MSSJ-MSJ01526.txt
new file mode 100644
index 00000000000..33993653b5b
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01526.txt
@@ -0,0 +1,202 @@
+ACCESSION: MSBNK-MSSJ-MSJ01526
+RECORD_TITLE: Etizolam; LC-ESI-QQ; MS2; ESI; POSITIVE; CE 40 V; [M+H]+
+DATE: 2023.03.24
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230324_Revised.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Etizolam
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C17H15ClN4S
+CH$EXACT_MASS: 342.07058
+CH$SMILES: CCC1=CC2=C(S1)N3C(=NN=C3CN=C2C4=CC=CC=C4Cl)C
+CH$IUPAC: InChI=1S/C17H15ClN4S/c1-3-11-8-13-16(12-6-4-5-7-14(12)18)19-9-15-21-20-10(2)22(15)17(13)23-11/h4-8H,3,9H2,1-2H3
+CH$LINK: CAS 40054-69-1
+CH$LINK: CHEMSPIDER 3191
+CH$LINK: INCHIKEY VMZUTJCNQWMAGF-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:3307
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoro, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.049 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 343.07786
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-03kj-0591000000-44b3c64200f998de5f33
+PK$NUM_PEAK: 166
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+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01527.txt b/MSSJ/MSBNK-MSSJ-MSJ01527.txt
new file mode 100644
index 00000000000..754029d6669
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01527.txt
@@ -0,0 +1,214 @@
+ACCESSION: MSBNK-MSSJ-MSJ01527
+RECORD_TITLE: Etizolam; LC-ESI-QQ; MS2; ESI; POSITIVE; CE 50 V; [M+H]+
+DATE: 2023.03.24
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230324_Revised.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Etizolam
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C17H15ClN4S
+CH$EXACT_MASS: 342.07058
+CH$SMILES: CCC1=CC2=C(S1)N3C(=NN=C3CN=C2C4=CC=CC=C4Cl)C
+CH$IUPAC: InChI=1S/C17H15ClN4S/c1-3-11-8-13-16(12-6-4-5-7-14(12)18)19-9-15-21-20-10(2)22(15)17(13)23-11/h4-8H,3,9H2,1-2H3
+CH$LINK: CAS 40054-69-1
+CH$LINK: CHEMSPIDER 3191
+CH$LINK: INCHIKEY VMZUTJCNQWMAGF-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:3307
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoro, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.049 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
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diff --git a/MSSJ/MSBNK-MSSJ-MSJ01528.txt b/MSSJ/MSBNK-MSSJ-MSJ01528.txt
new file mode 100644
index 00000000000..dc90b73e45d
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01528.txt
@@ -0,0 +1,63 @@
+ACCESSION: MSBNK-MSSJ-MSJ01528
+RECORD_TITLE: Oxazepam; LC-ESI-QQ; MS; ESI; POSITIVE
+DATE: 2023.03.24
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230324_Revised.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Oxazepam
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C15H11ClN2O2
+CH$EXACT_MASS: 286.05090
+CH$SMILES: C1=CC=C(C=C1)C2=NC(C(=O)NC3=C2C=C(C=C3)Cl)O
+CH$IUPAC: InChI=1S/C15H11ClN2O2/c16-10-6-7-12-11(8-10)13(9-4-2-1-3-5-9)18-15(20)14(19)17-12/h1-8,15,20H,(H,17,19)
+CH$LINK: CAS 604-75-1
+CH$LINK: CHEMSPIDER 4455
+CH$LINK: INCHIKEY ADIMAYPTOBDMTL-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:4616
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoro, Japan)
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.957 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+PK$SPLASH: splash10-000i-0094000000-3e8dcbbc5f0f05507030
+PK$NUM_PEAK: 30
+PK$PEAK: m/z int. rel.int.
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+  349 4395 12
+  493 3712 10
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01529.txt b/MSSJ/MSBNK-MSSJ-MSJ01529.txt
new file mode 100644
index 00000000000..d004334ecc1
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01529.txt
@@ -0,0 +1,42 @@
+ACCESSION: MSBNK-MSSJ-MSJ01529
+RECORD_TITLE: Oxazepam; LC-ESI-QQ; MS2; ESI; POSITIVE; CE 10 V; [M+H]+
+DATE: 2023.03.24
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230324_Revised.xlsx file
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Oxazepam
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C15H11ClN2O2
+CH$EXACT_MASS: 286.05090
+CH$SMILES: C1=CC=C(C=C1)C2=NC(C(=O)NC3=C2C=C(C=C3)Cl)O
+CH$IUPAC: InChI=1S/C15H11ClN2O2/c16-10-6-7-12-11(8-10)13(9-4-2-1-3-5-9)18-15(20)14(19)17-12/h1-8,15,20H,(H,17,19)
+CH$LINK: CAS 604-75-1
+CH$LINK: CHEMSPIDER 4455
+CH$LINK: INCHIKEY ADIMAYPTOBDMTL-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:4616
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoro, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microLl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.957 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 287.05818
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-000i-0090000000-28b50dcb6035683be069
+PK$NUM_PEAK: 6
+PK$PEAK: m/z int. rel.int.
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+  255 1298 14
+  269 21686 236
+  287 91627 999
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01530.txt b/MSSJ/MSBNK-MSSJ-MSJ01530.txt
new file mode 100644
index 00000000000..6f1aa9e6032
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01530.txt
@@ -0,0 +1,48 @@
+ACCESSION: MSBNK-MSSJ-MSJ01530
+RECORD_TITLE: Oxazepam; LC-ESI-QQ; MS2; ESI; POSITIVE; CE 20 V; [M+H]+
+DATE: 2023.03.24
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230324_Revised.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Oxazepam
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C15H11ClN2O2
+CH$EXACT_MASS: 286.05090
+CH$SMILES: C1=CC=C(C=C1)C2=NC(C(=O)NC3=C2C=C(C=C3)Cl)O
+CH$IUPAC: InChI=1S/C15H11ClN2O2/c16-10-6-7-12-11(8-10)13(9-4-2-1-3-5-9)18-15(20)14(19)17-12/h1-8,15,20H,(H,17,19)
+CH$LINK: CAS 604-75-1
+CH$LINK: CHEMSPIDER 4455
+CH$LINK: INCHIKEY ADIMAYPTOBDMTL-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:4616
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoro, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.957 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 287.05818
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-00kf-0190000000-fa35d70520d6499cb2e5
+PK$NUM_PEAK: 12
+PK$PEAK: m/z int. rel.int.
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+  231 4193 155
+  241 27039 999
+  258 407 15
+  269 17157 634
+  287 6866 254
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01531.txt b/MSSJ/MSBNK-MSSJ-MSJ01531.txt
new file mode 100644
index 00000000000..d435f3bb70b
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01531.txt
@@ -0,0 +1,57 @@
+ACCESSION: MSBNK-MSSJ-MSJ01531
+RECORD_TITLE: Oxazepam; LC-ESI-QQ; MS2; ESI; POSITIVE; CE 30 V; [M+H]+
+DATE: 2023.03.24
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230324_Revised.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Oxazepam
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C15H11ClN2O2
+CH$EXACT_MASS: 286.05090
+CH$SMILES: C1=CC=C(C=C1)C2=NC(C(=O)NC3=C2C=C(C=C3)Cl)O
+CH$IUPAC: InChI=1S/C15H11ClN2O2/c16-10-6-7-12-11(8-10)13(9-4-2-1-3-5-9)18-15(20)14(19)17-12/h1-8,15,20H,(H,17,19)
+CH$LINK: CAS 604-75-1
+CH$LINK: CHEMSPIDER 4455
+CH$LINK: INCHIKEY ADIMAYPTOBDMTL-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:4616
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR, Shimadzu, Kyoto, Japan.
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.957 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 287.05818
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-0006-1590000000-3952f756725177877d83
+PK$NUM_PEAK: 21
+PK$PEAK: m/z int. rel.int.
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+  57 326 13
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+  241 24333 999
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+  269 1878 77
+  287 816 33
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01532.txt b/MSSJ/MSBNK-MSSJ-MSJ01532.txt
new file mode 100644
index 00000000000..e6e606481e4
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01532.txt
@@ -0,0 +1,60 @@
+ACCESSION: MSBNK-MSSJ-MSJ01532
+RECORD_TITLE: Oxazepam; LC-ESI-QQ; MS2; ESI; POSITIVE; CE 40 V; [M+H]+
+DATE: 2023.03.24
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230324_Revised.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Oxazepam
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C15H11ClN2O2
+CH$EXACT_MASS: 286.05090
+CH$SMILES: C1=CC=C(C=C1)C2=NC(C(=O)NC3=C2C=C(C=C3)Cl)O
+CH$IUPAC: InChI=1S/C15H11ClN2O2/c16-10-6-7-12-11(8-10)13(9-4-2-1-3-5-9)18-15(20)14(19)17-12/h1-8,15,20H,(H,17,19)
+CH$LINK: CAS 604-75-1
+CH$LINK: CHEMSPIDER 4455
+CH$LINK: INCHIKEY ADIMAYPTOBDMTL-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:4616
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoro, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.957 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 287.05818
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-0ikc-2930000000-a3d3bffac73e5b9c66d7
+PK$NUM_PEAK: 24
+PK$PEAK: m/z int. rel.int.
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+  241 11455 660
+  257 2978 172
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01533.txt b/MSSJ/MSBNK-MSSJ-MSJ01533.txt
new file mode 100644
index 00000000000..c3bcd92d36f
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01533.txt
@@ -0,0 +1,60 @@
+ACCESSION: MSBNK-MSSJ-MSJ01533
+RECORD_TITLE: Oxazepam; LC-ESI-QQ; MS2; ESI; POSITIVE; CE 50 V; [M+H]+
+DATE: 2023.03.24
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230324_Revised.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Oxazepam
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C15H11ClN2O2
+CH$EXACT_MASS: 286.05090
+CH$SMILES: C1=CC=C(C=C1)C2=NC(C(=O)NC3=C2C=C(C=C3)Cl)O
+CH$IUPAC: InChI=1S/C15H11ClN2O2/c16-10-6-7-12-11(8-10)13(9-4-2-1-3-5-9)18-15(20)14(19)17-12/h1-8,15,20H,(H,17,19)
+CH$LINK: CAS 604-75-1
+CH$LINK: CHEMSPIDER 4455
+CH$LINK: INCHIKEY ADIMAYPTOBDMTL-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:4616
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoro, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.957 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 287.05818
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-0ug3-4910000000-b9dc088160ef3dc6aa4e
+PK$NUM_PEAK: 24
+PK$PEAK: m/z int. rel.int.
+  77 7948 802
+  90 816 82
+  91 816 82
+  92 816 82
+  93 6420 648
+  100 2228 225
+  104 9900 999
+  111 2656 268
+  118 1559 157
+  135 816 82
+  136 4949 499
+  138 3505 354
+  150 407 41
+  151 779 79
+  153 407 41
+  163 1606 162
+  178 816 82
+  194 792 80
+  205 407 41
+  214 407 41
+  229 1271 128
+  240.6 2052 207
+  241.4 816 82
+  269 407 41
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01534.txt b/MSSJ/MSBNK-MSSJ-MSJ01534.txt
new file mode 100644
index 00000000000..fc0f6570717
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01534.txt
@@ -0,0 +1,39 @@
+ACCESSION: MSBNK-MSSJ-MSJ01534
+RECORD_TITLE: Oxazepam; LC-ESI-QQ; MS; ESI; NEGATIVE
+DATE: 2023.03.24
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230324_Revised.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Oxazepam
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C15H11ClN2O2
+CH$EXACT_MASS: 286.05090
+CH$SMILES: C1=CC=C(C=C1)C2=NC(C(=O)NC3=C2C=C(C=C3)Cl)O
+CH$IUPAC: InChI=1S/C15H11ClN2O2/c16-10-6-7-12-11(8-10)13(9-4-2-1-3-5-9)18-15(20)14(19)17-12/h1-8,15,20H,(H,17,19)
+CH$LINK: CAS 604-75-1
+CH$LINK: CHEMSPIDER 4455
+CH$LINK: INCHIKEY ADIMAYPTOBDMTL-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:4616
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.957 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+PK$SPLASH: splash10-000i-0090000000-9a47d5d0e0cbf0a030ca
+PK$NUM_PEAK: 6
+PK$PEAK: m/z int. rel.int.
+  285 3038238 999
+  286 496781 163
+  287 1040863 342
+  288 162661 53
+  321 96923 32
+  323 77405 25
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01535.txt b/MSSJ/MSBNK-MSSJ-MSJ01535.txt
new file mode 100644
index 00000000000..03963ebf9ec
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01535.txt
@@ -0,0 +1,39 @@
+ACCESSION: MSBNK-MSSJ-MSJ01535
+RECORD_TITLE: Oxazepam; LC-ESI-QQ; MS2; ESI; NEGATIVE; CE 10 V; [M-H]-
+DATE: 2023.03.24
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230324_Revised.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Oxazepam
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C15H11ClN2O2
+CH$EXACT_MASS: 286.05090
+CH$SMILES: C1=CC=C(C=C1)C2=NC(C(=O)NC3=C2C=C(C=C3)Cl)O
+CH$IUPAC: InChI=1S/C15H11ClN2O2/c16-10-6-7-12-11(8-10)13(9-4-2-1-3-5-9)18-15(20)14(19)17-12/h1-8,15,20H,(H,17,19)
+CH$LINK: CAS 604-75-1
+CH$LINK: CHEMSPIDER 4455
+CH$LINK: INCHIKEY ADIMAYPTOBDMTL-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:4616
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.957 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 285.04307
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+PK$SPLASH: splash10-000i-0090000000-7595b8447334516acab7
+PK$NUM_PEAK: 3
+PK$PEAK: m/z int. rel.int.
+  42 4546 24
+  257 24323 128
+  285 190347 999
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01536.txt b/MSSJ/MSBNK-MSSJ-MSJ01536.txt
new file mode 100644
index 00000000000..0e757128742
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01536.txt
@@ -0,0 +1,55 @@
+ACCESSION: MSBNK-MSSJ-MSJ01536
+RECORD_TITLE: Oxazepam; LC-ESI-QQ; MS2; ESI; NEGATIVE; CE 20 V; [M-H]-
+DATE: 2023.03.24
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230324_Revised.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Oxazepam
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C15H11ClN2O2
+CH$EXACT_MASS: 286.05090
+CH$SMILES: C1=CC=C(C=C1)C2=NC(C(=O)NC3=C2C=C(C=C3)Cl)O
+CH$IUPAC: InChI=1S/C15H11ClN2O2/c16-10-6-7-12-11(8-10)13(9-4-2-1-3-5-9)18-15(20)14(19)17-12/h1-8,15,20H,(H,17,19)
+CH$LINK: CAS 604-75-1
+CH$LINK: CHEMSPIDER 4455
+CH$LINK: INCHIKEY ADIMAYPTOBDMTL-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:4616
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.957 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 285.04307
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+PK$SPLASH: splash10-000f-6290000000-d5d342a814402951f04d
+PK$NUM_PEAK: 19
+PK$PEAK: m/z int. rel.int.
+  42 15524 999
+  44 2052 132
+  111 576 37
+  116 576 37
+  151 287 18
+  154 973 63
+  179 3384 218
+  189 1731 111
+  205 287 18
+  206 576 37
+  221 1501 97
+  230 1811 117
+  239 1146 74
+  240 1576 101
+  241 2075 134
+  242 576 37
+  249 576 37
+  257 4192 270
+  285 9897 637
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01537.txt b/MSSJ/MSBNK-MSSJ-MSJ01537.txt
new file mode 100644
index 00000000000..32857ea474e
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01537.txt
@@ -0,0 +1,50 @@
+ACCESSION: MSBNK-MSSJ-MSJ01537
+RECORD_TITLE: Oxazepam; LC-ESI-QQ; MS2; ESI; NEGATIVE; CE 30 V; [M-H]-
+DATE: 2023.03.24
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230324_Revised.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Oxazepam
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C15H11ClN2O2
+CH$EXACT_MASS: 286.05090
+CH$SMILES: C1=CC=C(C=C1)C2=NC(C(=O)NC3=C2C=C(C=C3)Cl)O
+CH$IUPAC: InChI=1S/C15H11ClN2O2/c16-10-6-7-12-11(8-10)13(9-4-2-1-3-5-9)18-15(20)14(19)17-12/h1-8,15,20H,(H,17,19)
+CH$LINK: CAS 604-75-1
+CH$LINK: CHEMSPIDER 4455
+CH$LINK: INCHIKEY ADIMAYPTOBDMTL-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:4616
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.957 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 285.04307
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+PK$SPLASH: splash10-0006-9120000000-e923de0b3d3bc69aa4b1
+PK$NUM_PEAK: 14
+PK$PEAK: m/z int. rel.int.
+  35 287 21
+  42 13372 999
+  44 2772 207
+  151 559 42
+  154 431 32
+  161 287 21
+  173 287 21
+  179 1414 106
+  194 576 43
+  221 287 21
+  241 1950 146
+  242 576 43
+  257 576 43
+  284 1479 110
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01538.txt b/MSSJ/MSBNK-MSSJ-MSJ01538.txt
new file mode 100644
index 00000000000..2396a26e7d5
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01538.txt
@@ -0,0 +1,45 @@
+ACCESSION: MSBNK-MSSJ-MSJ01538
+RECORD_TITLE: Oxazepam; LC-ESI-QQ; MS2; ESI; NEGATIVE; CE 40 V; [M-H]-
+DATE: 2023.03.24
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230324_Revised.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Oxazepam
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C15H11ClN2O2
+CH$EXACT_MASS: 286.05090
+CH$SMILES: C1=CC=C(C=C1)C2=NC(C(=O)NC3=C2C=C(C=C3)Cl)O
+CH$IUPAC: InChI=1S/C15H11ClN2O2/c16-10-6-7-12-11(8-10)13(9-4-2-1-3-5-9)18-15(20)14(19)17-12/h1-8,15,20H,(H,17,19)
+CH$LINK: CAS 604-75-1
+CH$LINK: CHEMSPIDER 4455
+CH$LINK: INCHIKEY ADIMAYPTOBDMTL-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:4616
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.957 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 285.04307
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+PK$SPLASH: splash10-0006-9110000000-84e1e112f3211a206433
+PK$NUM_PEAK: 9
+PK$PEAK: m/z int. rel.int.
+  35 287 23
+  42 12647 999
+  44 2469 195
+  118 287 23
+  125 574 45
+  151 549 43
+  179 864 68
+  241 1338 106
+  285 576 45
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01539.txt b/MSSJ/MSBNK-MSSJ-MSJ01539.txt
new file mode 100644
index 00000000000..c3974c39d44
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01539.txt
@@ -0,0 +1,44 @@
+ACCESSION: MSBNK-MSSJ-MSJ01539
+RECORD_TITLE: Oxazepam; LC-ESI-QQ; MS2; ESI; NEGATIVE; CE 50 V; [M-H]-
+DATE: 2023.03.24
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230324_Revised.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Oxazepam
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C15H11ClN2O2
+CH$EXACT_MASS: 286.05090
+CH$SMILES: C1=CC=C(C=C1)C2=NC(C(=O)NC3=C2C=C(C=C3)Cl)O
+CH$IUPAC: InChI=1S/C15H11ClN2O2/c16-10-6-7-12-11(8-10)13(9-4-2-1-3-5-9)18-15(20)14(19)17-12/h1-8,15,20H,(H,17,19)
+CH$LINK: CAS 604-75-1
+CH$LINK: CHEMSPIDER 4455
+CH$LINK: INCHIKEY ADIMAYPTOBDMTL-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:4616
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.957 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 285.04307
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+PK$SPLASH: splash10-0006-9000000000-54a5045ce8e120a59099
+PK$NUM_PEAK: 8
+PK$PEAK: m/z int. rel.int.
+  35 1399 140
+  42 10003 999
+  44 834 83
+  66 287 29
+  77 576 58
+  149 576 58
+  151 466 47
+  152 287 29
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01540.txt b/MSSJ/MSBNK-MSSJ-MSJ01540.txt
new file mode 100644
index 00000000000..a37d87a2783
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01540.txt
@@ -0,0 +1,44 @@
+ACCESSION: MSBNK-MSSJ-MSJ01540
+RECORD_TITLE: Oxazolam; LC-ESI-QQ; MS; ESI; POSITIVE
+DATE: 2023.03.24
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230324.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Oxazolam
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C18H17ClN2O2
+CH$EXACT_MASS: 328.09785
+CH$SMILES: CC1CN2CC(=O)NC3=C(C2(O1)C4=CC=CC=C4)C=C(C=C3)Cl
+CH$IUPAC: InChI=1S/C18H17ClN2O2/c1-12-10-21-11-17(22)20-16-8-7-14(19)9-15(16)18(21,23-12)13-5-3-2-4-6-13/h2-9,12H,10-11H2,1H3,(H,20,22)
+CH$LINK: CAS 24143-17-7
+CH$LINK: CHEMSPIDER 4456
+CH$LINK: INCHIKEY VCCZBYPHZRWKFY-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:4617
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.122, 10.197 min (broad two peaks)
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+PK$SPLASH: splash10-0059-0009000000-ad946be789fc4e14885f
+PK$NUM_PEAK: 11
+PK$PEAK: m/z int. rel.int.
+  223 54227 11
+  329 5033750 999
+  330 919573 182
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+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01541.txt b/MSSJ/MSBNK-MSSJ-MSJ01541.txt
new file mode 100644
index 00000000000..8061be6ff6f
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01541.txt
@@ -0,0 +1,40 @@
+ACCESSION: MSBNK-MSSJ-MSJ01541
+RECORD_TITLE: Oxazolam; LC-ESI-QQ; MS2; ESI; POSITIVE; CE 10 V; [M+H]+
+DATE: 2023.03.24
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230324.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Oxazolam
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C18H17ClN2O2
+CH$EXACT_MASS: 328.09785
+CH$SMILES: CC1CN2CC(=O)NC3=C(C2(O1)C4=CC=CC=C4)C=C(C=C3)Cl
+CH$IUPAC: InChI=1S/C18H17ClN2O2/c1-12-10-21-11-17(22)20-16-8-7-14(19)9-15(16)18(21,23-12)13-5-3-2-4-6-13/h2-9,12H,10-11H2,1H3,(H,20,22)
+CH$LINK: CAS 24143-17-7
+CH$LINK: CHEMSPIDER 4456
+CH$LINK: INCHIKEY VCCZBYPHZRWKFY-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:4617
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.122, 10.197 min (broad two peaks)
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 329.10513
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-004i-0009000000-33262b9b4673a4d24858
+PK$NUM_PEAK: 4
+PK$PEAK: m/z int. rel.int.
+  271 11618 25
+  272 8171 18
+  297 5261 12
+  329 455240 999
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01542.txt b/MSSJ/MSBNK-MSSJ-MSJ01542.txt
new file mode 100644
index 00000000000..d88a4bc08d0
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01542.txt
@@ -0,0 +1,53 @@
+ACCESSION: MSBNK-MSSJ-MSJ01542
+RECORD_TITLE: Oxazolam; LC-ESI-QQ; MS2; ESI; POSITIVE; CE 20 V; [M+H]+
+DATE: 2023.03.24
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230324.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Oxazolam
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C18H17ClN2O2
+CH$EXACT_MASS: 328.09785
+CH$SMILES: CC1CN2CC(=O)NC3=C(C2(O1)C4=CC=CC=C4)C=C(C=C3)Cl
+CH$IUPAC: InChI=1S/C18H17ClN2O2/c1-12-10-21-11-17(22)20-16-8-7-14(19)9-15(16)18(21,23-12)13-5-3-2-4-6-13/h2-9,12H,10-11H2,1H3,(H,20,22)
+CH$LINK: CAS 24143-17-7
+CH$LINK: CHEMSPIDER 4456
+CH$LINK: INCHIKEY VCCZBYPHZRWKFY-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:4617
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.122, 10.197 min (broad two peaks)
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 329.10513
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-00fr-1097000000-03377e362b47d185015f
+PK$NUM_PEAK: 17
+PK$PEAK: m/z int. rel.int.
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+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01543.txt b/MSSJ/MSBNK-MSSJ-MSJ01543.txt
new file mode 100644
index 00000000000..51d9b119e9e
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01543.txt
@@ -0,0 +1,81 @@
+ACCESSION: MSBNK-MSSJ-MSJ01543
+RECORD_TITLE: Oxazolam; LC-ESI-QQ; MS2; ESI; POSITIVE; CE 30 V; [M+H]+
+DATE: 2023.03.24
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230324.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Oxazolam
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C18H17ClN2O2
+CH$EXACT_MASS: 328.09785
+CH$SMILES: CC1CN2CC(=O)NC3=C(C2(O1)C4=CC=CC=C4)C=C(C=C3)Cl
+CH$IUPAC: InChI=1S/C18H17ClN2O2/c1-12-10-21-11-17(22)20-16-8-7-14(19)9-15(16)18(21,23-12)13-5-3-2-4-6-13/h2-9,12H,10-11H2,1H3,(H,20,22)
+CH$LINK: CAS 24143-17-7
+CH$LINK: CHEMSPIDER 4456
+CH$LINK: INCHIKEY VCCZBYPHZRWKFY-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:4617
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.122, 10.197 min (broad two peaks)
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 329.10513
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-00di-3690000000-5ed2d8fe7e97e44570b1
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+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01544.txt b/MSSJ/MSBNK-MSSJ-MSJ01544.txt
new file mode 100644
index 00000000000..4a493163d32
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01544.txt
@@ -0,0 +1,106 @@
+ACCESSION: MSBNK-MSSJ-MSJ01544
+RECORD_TITLE: Oxazolam; LC-ESI-QQ; MS2; ESI; POSITIVE; CE 40 V; [M+H]+
+DATE: 2023.03.24
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230324.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Oxazolam
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C18H17ClN2O2
+CH$EXACT_MASS: 328.09785
+CH$SMILES: CC1CN2CC(=O)NC3=C(C2(O1)C4=CC=CC=C4)C=C(C=C3)Cl
+CH$IUPAC: InChI=1S/C18H17ClN2O2/c1-12-10-21-11-17(22)20-16-8-7-14(19)9-15(16)18(21,23-12)13-5-3-2-4-6-13/h2-9,12H,10-11H2,1H3,(H,20,22)
+CH$LINK: CAS 24143-17-7
+CH$LINK: CHEMSPIDER 4456
+CH$LINK: INCHIKEY VCCZBYPHZRWKFY-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:4617
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.122, 10.197 min (broad two peaks)
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 329.10513
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-00kf-4940000000-1955c8c99a8116fa1e1e
+PK$NUM_PEAK: 70
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+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01545.txt b/MSSJ/MSBNK-MSSJ-MSJ01545.txt
new file mode 100644
index 00000000000..5590d1c0c20
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01545.txt
@@ -0,0 +1,121 @@
+ACCESSION: MSBNK-MSSJ-MSJ01545
+RECORD_TITLE: Oxazolam; LC-ESI-QQ; MS2; ESI; POSITIVE; CE 50 V; [M+H]+
+DATE: 2023.03.24
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230324.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Oxazolam
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C18H17ClN2O2
+CH$EXACT_MASS: 328.09785
+CH$SMILES: CC1CN2CC(=O)NC3=C(C2(O1)C4=CC=CC=C4)C=C(C=C3)Cl
+CH$IUPAC: InChI=1S/C18H17ClN2O2/c1-12-10-21-11-17(22)20-16-8-7-14(19)9-15(16)18(21,23-12)13-5-3-2-4-6-13/h2-9,12H,10-11H2,1H3,(H,20,22)
+CH$LINK: CAS 24143-17-7
+CH$LINK: CHEMSPIDER 4456
+CH$LINK: INCHIKEY VCCZBYPHZRWKFY-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:4617
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.122, 10.197 min (broad two peaks)
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 329.10513
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-0006-4930000000-53290f2619855d20bbb6
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+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01546.txt b/MSSJ/MSBNK-MSSJ-MSJ01546.txt
new file mode 100644
index 00000000000..883aed5f528
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01546.txt
@@ -0,0 +1,66 @@
+ACCESSION: MSBNK-MSSJ-MSJ01546
+RECORD_TITLE: Oxazolam; LC-ESI-QQ; MS; ESI; NEGATIVE
+DATE: 2023.03.24
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230324.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Oxazolam
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C18H17ClN2O2
+CH$EXACT_MASS: 328.09785
+CH$SMILES: CC1CN2CC(=O)NC3=C(C2(O1)C4=CC=CC=C4)C=C(C=C3)Cl
+CH$IUPAC: InChI=1S/C18H17ClN2O2/c1-12-10-21-11-17(22)20-16-8-7-14(19)9-15(16)18(21,23-12)13-5-3-2-4-6-13/h2-9,12H,10-11H2,1H3,(H,20,22)
+CH$LINK: CAS 24143-17-7
+CH$LINK: CHEMSPIDER 4456
+CH$LINK: INCHIKEY VCCZBYPHZRWKFY-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:4617
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min.
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.122, 10.197 min (broad two peaks)
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+PK$SPLASH: splash10-004i-0029000000-efeca104e688410e4bb5
+PK$NUM_PEAK: 33
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+  279 8462 21
+  283 35627 88
+  284 13655 34
+  293 10651 26
+  297 11744 29
+  305 9082 22
+  311 9678 24
+  313 44473 110
+  325 11442 28
+  327 405667 999
+  328 74329 183
+  329 138017 340
+  330 23804 59
+  335 8236 20
+  337 8420 21
+  339 10125 25
+  351 8737 22
+  361 8579 21
+  373 17205 42
+  395 9161 23
+  403 12407 31
+  407 8406 21
+  411 14556 36
+  415 8276 20
+  433 8951 22
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01547.txt b/MSSJ/MSBNK-MSSJ-MSJ01547.txt
new file mode 100644
index 00000000000..37f014c6f7b
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01547.txt
@@ -0,0 +1,40 @@
+ACCESSION: MSBNK-MSSJ-MSJ01547
+RECORD_TITLE: Oxazolam; LC-ESI-QQ; MS2; ESI; NEGATIVE; CE 10 V; [M-H]-
+DATE: 2023.03.24
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230324.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Oxazolam
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C18H17ClN2O2
+CH$EXACT_MASS: 328.09785
+CH$SMILES: CC1CN2CC(=O)NC3=C(C2(O1)C4=CC=CC=C4)C=C(C=C3)Cl
+CH$IUPAC: InChI=1S/C18H17ClN2O2/c1-12-10-21-11-17(22)20-16-8-7-14(19)9-15(16)18(21,23-12)13-5-3-2-4-6-13/h2-9,12H,10-11H2,1H3,(H,20,22)
+CH$LINK: CAS 24143-17-7
+CH$LINK: CHEMSPIDER 4456
+CH$LINK: INCHIKEY VCCZBYPHZRWKFY-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:4617
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.122, 10.197 min (broad two peaks)
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 327.09002
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+PK$SPLASH: splash10-0059-0097000000-8e0fa5ab7d746dbeae12
+PK$NUM_PEAK: 4
+PK$PEAK: m/z int. rel.int.
+  216 1040 33
+  241 4909 157
+  283 30994 988
+  327 31334 999
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01548.txt b/MSSJ/MSBNK-MSSJ-MSJ01548.txt
new file mode 100644
index 00000000000..76dec8a3124
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01548.txt
@@ -0,0 +1,50 @@
+ACCESSION: MSBNK-MSSJ-MSJ01548
+RECORD_TITLE: Oxazolam; LC-ESI-QQ; MS2; ESI; NEGATIVE; CE 20 V; [M-H]-
+DATE: 2023.03.24
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230324.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Oxazolam
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C18H17ClN2O2
+CH$EXACT_MASS: 328.09785
+CH$SMILES: CC1CN2CC(=O)NC3=C(C2(O1)C4=CC=CC=C4)C=C(C=C3)Cl
+CH$IUPAC: InChI=1S/C18H17ClN2O2/c1-12-10-21-11-17(22)20-16-8-7-14(19)9-15(16)18(21,23-12)13-5-3-2-4-6-13/h2-9,12H,10-11H2,1H3,(H,20,22)
+CH$LINK: CAS 24143-17-7
+CH$LINK: CHEMSPIDER 4456
+CH$LINK: INCHIKEY VCCZBYPHZRWKFY-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:4617
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.122, 10.197 min (broad two peaks)
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 327.09002
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+PK$SPLASH: splash10-001l-0090000000-acd87fc1bca8437c51ee
+PK$NUM_PEAK: 14
+PK$PEAK: m/z int. rel.int.
+  41 519 25
+  45 271 13
+  102 653 31
+  111 271 13
+  136 544 26
+  138 544 26
+  163 271 13
+  179 271 13
+  205 803 38
+  225 659 31
+  241 17801 843
+  242 1335 63
+  283 21083 999
+  327 847 40
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01549.txt b/MSSJ/MSBNK-MSSJ-MSJ01549.txt
new file mode 100644
index 00000000000..57d98b341a8
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01549.txt
@@ -0,0 +1,54 @@
+ACCESSION: MSBNK-MSSJ-MSJ01549
+RECORD_TITLE: Oxazolam; LC-ESI-QQ; MS2; ESI; NEGATIVE; CE 30 V; [M-H]-
+DATE: 2023.03.24
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230324.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Oxazolam
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C18H17ClN2O2
+CH$EXACT_MASS: 328.09785
+CH$SMILES: CC1CN2CC(=O)NC3=C(C2(O1)C4=CC=CC=C4)C=C(C=C3)Cl
+CH$IUPAC: InChI=1S/C18H17ClN2O2/c1-12-10-21-11-17(22)20-16-8-7-14(19)9-15(16)18(21,23-12)13-5-3-2-4-6-13/h2-9,12H,10-11H2,1H3,(H,20,22)
+CH$LINK: CAS 24143-17-7
+CH$LINK: CHEMSPIDER 4456
+CH$LINK: INCHIKEY VCCZBYPHZRWKFY-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:4617
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.122, 10.197 min (broad two peaks)
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 327.09002
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+PK$SPLASH: splash10-0006-0590000000-a0497ed07b14b987f9fc
+PK$NUM_PEAK: 18
+PK$PEAK: m/z int. rel.int.
+  41 544 60
+  102 1916 212
+  111 4678 517
+  138 1367 151
+  153 544 60
+  154 271 30
+  163 544 60
+  205 898 99
+  225 271 30
+  226 519 57
+  228 544 60
+  241 9046 999
+  242 1633 180
+  253 271 30
+  254 544 60
+  267 544 60
+  281 1463 162
+  283 544 60
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01550.txt b/MSSJ/MSBNK-MSSJ-MSJ01550.txt
new file mode 100644
index 00000000000..7e9ea6cd4ae
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01550.txt
@@ -0,0 +1,46 @@
+ACCESSION: MSBNK-MSSJ-MSJ01550
+RECORD_TITLE: Oxazolam; LC-ESI-QQ; MS2; ESI; NEGATIVE; CE 40 V; [M-H]-
+DATE: 2023.03.24
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230324.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Oxazolam
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C18H17ClN2O2
+CH$EXACT_MASS: 328.09785
+CH$SMILES: CC1CN2CC(=O)NC3=C(C2(O1)C4=CC=CC=C4)C=C(C=C3)Cl
+CH$IUPAC: InChI=1S/C18H17ClN2O2/c1-12-10-21-11-17(22)20-16-8-7-14(19)9-15(16)18(21,23-12)13-5-3-2-4-6-13/h2-9,12H,10-11H2,1H3,(H,20,22)
+CH$LINK: CAS 24143-17-7
+CH$LINK: CHEMSPIDER 4456
+CH$LINK: INCHIKEY VCCZBYPHZRWKFY-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:4617
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.122, 10.197 min (broad two peaks)
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 327.09002
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+PK$SPLASH: splash10-03dl-1980000000-c0d5d32bd921d5ce7d0a
+PK$NUM_PEAK: 10
+PK$PEAK: m/z int. rel.int.
+  35 1251 256
+  102 816 167
+  111 4876 999
+  138 542 111
+  163 271 56
+  178 271 56
+  205 974 200
+  240 1040 213
+  241 2428 497
+  267 1935 396
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01551.txt b/MSSJ/MSBNK-MSSJ-MSJ01551.txt
new file mode 100644
index 00000000000..4455bd4d236
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01551.txt
@@ -0,0 +1,46 @@
+ACCESSION: MSBNK-MSSJ-MSJ01551
+RECORD_TITLE: Oxazolam; LC-ESI-QQ; MS2; ESI; NEGATIVE; CE 50 V; [M-H]-
+DATE: 2023.03.24
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230324.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Oxazolam
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C18H17ClN2O2
+CH$EXACT_MASS: 328.09785
+CH$SMILES: CC1CN2CC(=O)NC3=C(C2(O1)C4=CC=CC=C4)C=C(C=C3)Cl
+CH$IUPAC: InChI=1S/C18H17ClN2O2/c1-12-10-21-11-17(22)20-16-8-7-14(19)9-15(16)18(21,23-12)13-5-3-2-4-6-13/h2-9,12H,10-11H2,1H3,(H,20,22)
+CH$LINK: CAS 24143-17-7
+CH$LINK: CHEMSPIDER 4456
+CH$LINK: INCHIKEY VCCZBYPHZRWKFY-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:4617
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.122, 10.197 min (broad two peaks)
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 327.09002
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+PK$SPLASH: splash10-001c-5690000000-3d8f11e98975b5742517
+PK$NUM_PEAK: 10
+PK$PEAK: m/z int. rel.int.
+  35 1102 874
+  66 544 432
+  111 779 618
+  138 528 419
+  151 544 432
+  185 271 215
+  205 271 215
+  231 1160 920
+  240 271 215
+  241 1259 999
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01552.txt b/MSSJ/MSBNK-MSSJ-MSJ01552.txt
new file mode 100644
index 00000000000..5298beb55e6
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01552.txt
@@ -0,0 +1,38 @@
+ACCESSION: MSBNK-MSSJ-MSJ01552
+RECORD_TITLE: Quazepam; LC-ESI-QQ; MS; ESI; POSITIVE
+DATE: 2023.03.24
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230324.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Quazepam
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C17H11ClF4N2S
+CH$EXACT_MASS: 386.02675
+CH$SMILES: C1C(=S)N(C2=C(C=C(C=C2)Cl)C(=N1)C3=CC=CC=C3F)CC(F)(F)F
+CH$IUPAC: InChI=1S/C17H11ClF4N2S/c18-10-5-6-14-12(7-10)16(11-3-1-2-4-13(11)19)23-8-15(25)24(14)9-17(20,21)22/h1-7H,8-9H2
+CH$LINK: CAS 36735-22-5
+CH$LINK: CHEMSPIDER 4825
+CH$LINK: INCHIKEY IKMPWMZBZSAONZ-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:4999
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.211 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+PK$SPLASH: splash10-000i-0009000000-c30e498f6e0d780fdde7
+PK$NUM_PEAK: 5
+PK$PEAK: m/z int. rel.int.
+  387 6127443 999
+  388 1100875 179
+  389 2064042 337
+  390 484011 79
+  391 100538 16
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01553.txt b/MSSJ/MSBNK-MSSJ-MSJ01553.txt
new file mode 100644
index 00000000000..57e8004187b
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01553.txt
@@ -0,0 +1,37 @@
+ACCESSION: MSBNK-MSSJ-MSJ01553
+RECORD_TITLE: Quazepam; LC-ESI-QQ; MS2; ESI; POSITIVE; CE 10 V; [M+H]+
+DATE: 2023.03.24
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230324.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Quazepam
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C17H11ClF4N2S
+CH$EXACT_MASS: 386.02675
+CH$SMILES: C1C(=S)N(C2=C(C=C(C=C2)Cl)C(=N1)C3=CC=CC=C3F)CC(F)(F)F
+CH$IUPAC: InChI=1S/C17H11ClF4N2S/c18-10-5-6-14-12(7-10)16(11-3-1-2-4-13(11)19)23-8-15(25)24(14)9-17(20,21)22/h1-7H,8-9H2
+CH$LINK: CAS 36735-22-5
+CH$LINK: CHEMSPIDER 4825
+CH$LINK: INCHIKEY IKMPWMZBZSAONZ-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:4999
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.211 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 387.03403
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-000i-0009000000-3bcf12081cd536f24939
+PK$NUM_PEAK: 1
+PK$PEAK: m/z int. rel.int.
+  387 444429 999
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01554.txt b/MSSJ/MSBNK-MSSJ-MSJ01554.txt
new file mode 100644
index 00000000000..163fbc86a9f
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01554.txt
@@ -0,0 +1,40 @@
+ACCESSION: MSBNK-MSSJ-MSJ01554
+RECORD_TITLE: Quazepam; LC-ESI-QQ; MS2; ESI; POSITIVE; CE 20 V; [M+H]+
+DATE: 2023.03.24
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230324.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Quazepam
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C17H11ClF4N2S
+CH$EXACT_MASS: 386.02675
+CH$SMILES: C1C(=S)N(C2=C(C=C(C=C2)Cl)C(=N1)C3=CC=CC=C3F)CC(F)(F)F
+CH$IUPAC: InChI=1S/C17H11ClF4N2S/c18-10-5-6-14-12(7-10)16(11-3-1-2-4-13(11)19)23-8-15(25)24(14)9-17(20,21)22/h1-7H,8-9H2
+CH$LINK: CAS 36735-22-5
+CH$LINK: CHEMSPIDER 4825
+CH$LINK: INCHIKEY IKMPWMZBZSAONZ-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:4999
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.211 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 387.03403
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-000i-0009000000-67c11a8e25ca5c8c854d
+PK$NUM_PEAK: 4
+PK$PEAK: m/z int. rel.int.
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+  354 17798 61
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+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01555.txt b/MSSJ/MSBNK-MSSJ-MSJ01555.txt
new file mode 100644
index 00000000000..83dadb16731
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01555.txt
@@ -0,0 +1,77 @@
+ACCESSION: MSBNK-MSSJ-MSJ01555
+RECORD_TITLE: Quazepam; LC-ESI-QQ; MS2; ESI; POSITIVE; CE 30 V; [M+H]+
+DATE: 2023.03.24
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230324.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Quazepam
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C17H11ClF4N2S
+CH$EXACT_MASS: 386.02675
+CH$SMILES: C1C(=S)N(C2=C(C=C(C=C2)Cl)C(=N1)C3=CC=CC=C3F)CC(F)(F)F
+CH$IUPAC: InChI=1S/C17H11ClF4N2S/c18-10-5-6-14-12(7-10)16(11-3-1-2-4-13(11)19)23-8-15(25)24(14)9-17(20,21)22/h1-7H,8-9H2
+CH$LINK: CAS 36735-22-5
+CH$LINK: CHEMSPIDER 4825
+CH$LINK: INCHIKEY IKMPWMZBZSAONZ-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:4999
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.211 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 387.03403
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-0w29-0029000000-aaed504903d6beb2321c
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+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01556.txt b/MSSJ/MSBNK-MSSJ-MSJ01556.txt
new file mode 100644
index 00000000000..8a795ad9a80
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01556.txt
@@ -0,0 +1,102 @@
+ACCESSION: MSBNK-MSSJ-MSJ01556
+RECORD_TITLE: Quazepam; LC-ESI-QQ; MS2; ESI; POSITIVE; CE 40 V; [M+H]+
+DATE: 2023.03.24
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230324.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Quazepam
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C17H11ClF4N2S
+CH$EXACT_MASS: 386.02675
+CH$SMILES: C1C(=S)N(C2=C(C=C(C=C2)Cl)C(=N1)C3=CC=CC=C3F)CC(F)(F)F
+CH$IUPAC: InChI=1S/C17H11ClF4N2S/c18-10-5-6-14-12(7-10)16(11-3-1-2-4-13(11)19)23-8-15(25)24(14)9-17(20,21)22/h1-7H,8-9H2
+CH$LINK: CAS 36735-22-5
+CH$LINK: CHEMSPIDER 4825
+CH$LINK: INCHIKEY IKMPWMZBZSAONZ-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:4999
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.211 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 387.03403
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-0r00-0195000000-d62e33e24a625756773d
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+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01557.txt b/MSSJ/MSBNK-MSSJ-MSJ01557.txt
new file mode 100644
index 00000000000..0aa31332180
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01557.txt
@@ -0,0 +1,107 @@
+ACCESSION: MSBNK-MSSJ-MSJ01557
+RECORD_TITLE: Quazepam; LC-ESI-QQ; MS2; ESI; POSITIVE; CE 50 V; [M+H]+
+DATE: 2023.03.24
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230324.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Quazepam
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C17H11ClF4N2S
+CH$EXACT_MASS: 386.02675
+CH$SMILES: C1C(=S)N(C2=C(C=C(C=C2)Cl)C(=N1)C3=CC=CC=C3F)CC(F)(F)F
+CH$IUPAC: InChI=1S/C17H11ClF4N2S/c18-10-5-6-14-12(7-10)16(11-3-1-2-4-13(11)19)23-8-15(25)24(14)9-17(20,21)22/h1-7H,8-9H2
+CH$LINK: CAS 36735-22-5
+CH$LINK: CHEMSPIDER 4825
+CH$LINK: INCHIKEY IKMPWMZBZSAONZ-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:4999
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.211 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 387.03403
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-0ab9-0191000000-f7820ab26eb33d5f192c
+PK$NUM_PEAK: 71
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+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01558.txt b/MSSJ/MSBNK-MSSJ-MSJ01558.txt
new file mode 100644
index 00000000000..5b70b5bce6e
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01558.txt
@@ -0,0 +1,64 @@
+ACCESSION: MSBNK-MSSJ-MSJ01558
+RECORD_TITLE: Quazepam; LC-ESI-QQ; MS; ESI; NEGATIVE
+DATE: 2023.03.24
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230324.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Quazepam
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C17H11ClF4N2S
+CH$EXACT_MASS: 386.02675
+CH$SMILES: C1C(=S)N(C2=C(C=C(C=C2)Cl)C(=N1)C3=CC=CC=C3F)CC(F)(F)F
+CH$IUPAC: InChI=1S/C17H11ClF4N2S/c18-10-5-6-14-12(7-10)16(11-3-1-2-4-13(11)19)23-8-15(25)24(14)9-17(20,21)22/h1-7H,8-9H2
+CH$LINK: CAS 36735-22-5
+CH$LINK: CHEMSPIDER 4825
+CH$LINK: INCHIKEY IKMPWMZBZSAONZ-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:4999
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.211 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+PK$SPLASH: splash10-000i-0019000000-43fd45b26c4bf2a43d09
+PK$NUM_PEAK: 31
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+  459 13231 18
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01559.txt b/MSSJ/MSBNK-MSSJ-MSJ01559.txt
new file mode 100644
index 00000000000..17b1890be95
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01559.txt
@@ -0,0 +1,38 @@
+ACCESSION: MSBNK-MSSJ-MSJ01559
+RECORD_TITLE: Quazepam; LC-ESI-QQ; MS2; ESI; NEGATIVE; CE 10 V; [M-H]-
+DATE: 2023.03.24
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230324.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Quazepam
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C17H11ClF4N2S
+CH$EXACT_MASS: 386.02675
+CH$SMILES: C1C(=S)N(C2=C(C=C(C=C2)Cl)C(=N1)C3=CC=CC=C3F)CC(F)(F)F
+CH$IUPAC: InChI=1S/C17H11ClF4N2S/c18-10-5-6-14-12(7-10)16(11-3-1-2-4-13(11)19)23-8-15(25)24(14)9-17(20,21)22/h1-7H,8-9H2
+CH$LINK: CAS 36735-22-5
+CH$LINK: CHEMSPIDER 4825
+CH$LINK: INCHIKEY IKMPWMZBZSAONZ-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:4999
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.211 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 385.01893
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+PK$SPLASH: splash10-0006-0093000000-8445a0424d352ea087ce
+PK$NUM_PEAK: 2
+PK$PEAK: m/z int. rel.int.
+  244 75605 999
+  385 29096 384
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01560.txt b/MSSJ/MSBNK-MSSJ-MSJ01560.txt
new file mode 100644
index 00000000000..55636336d70
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01560.txt
@@ -0,0 +1,37 @@
+ACCESSION: MSBNK-MSSJ-MSJ01560
+RECORD_TITLE: Quazepam; LC-ESI-QQ; MS2; ESI; NEGATIVE; CE 20 V; [M-H]-
+DATE: 2023.03.24
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230324.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Quazepam
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C17H11ClF4N2S
+CH$EXACT_MASS: 386.02675
+CH$SMILES: C1C(=S)N(C2=C(C=C(C=C2)Cl)C(=N1)C3=CC=CC=C3F)CC(F)(F)F
+CH$IUPAC: InChI=1S/C17H11ClF4N2S/c18-10-5-6-14-12(7-10)16(11-3-1-2-4-13(11)19)23-8-15(25)24(14)9-17(20,21)22/h1-7H,8-9H2
+CH$LINK: CAS 36735-22-5
+CH$LINK: CHEMSPIDER 4825
+CH$LINK: INCHIKEY IKMPWMZBZSAONZ-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:4999
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.211 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 385.01893
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+PK$SPLASH: splash10-0006-0090000000-45acde5483b42d794e42
+PK$NUM_PEAK: 1
+PK$PEAK: m/z int. rel.int.
+  244 74183 999
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01561.txt b/MSSJ/MSBNK-MSSJ-MSJ01561.txt
new file mode 100644
index 00000000000..48fce8aaa41
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01561.txt
@@ -0,0 +1,37 @@
+ACCESSION: MSBNK-MSSJ-MSJ01561
+RECORD_TITLE: Quazepam; LC-ESI-QQ; MS2; ESI; NEGATIVE; CE 30 V; [M-H]-
+DATE: 2023.03.24
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230324.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Quazepam
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C17H11ClF4N2S
+CH$EXACT_MASS: 386.02675
+CH$SMILES: C1C(=S)N(C2=C(C=C(C=C2)Cl)C(=N1)C3=CC=CC=C3F)CC(F)(F)F
+CH$IUPAC: InChI=1S/C17H11ClF4N2S/c18-10-5-6-14-12(7-10)16(11-3-1-2-4-13(11)19)23-8-15(25)24(14)9-17(20,21)22/h1-7H,8-9H2
+CH$LINK: CAS 36735-22-5
+CH$LINK: CHEMSPIDER 4825
+CH$LINK: INCHIKEY IKMPWMZBZSAONZ-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:4999
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.211 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 385.01893
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+PK$SPLASH: splash10-0006-0090000000-45acde5483b42d794e42
+PK$NUM_PEAK: 1
+PK$PEAK: m/z int. rel.int.
+  244 46102 999
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01562.txt b/MSSJ/MSBNK-MSSJ-MSJ01562.txt
new file mode 100644
index 00000000000..692dbde87d8
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01562.txt
@@ -0,0 +1,41 @@
+ACCESSION: MSBNK-MSSJ-MSJ01562
+RECORD_TITLE: Quazepam; LC-ESI-QQ; MS2; ESI; NEGATIVE; CE 40 V; [M-H]-
+DATE: 2023.03.24
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230324.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Quazepam
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C17H11ClF4N2S
+CH$EXACT_MASS: 386.02675
+CH$SMILES: C1C(=S)N(C2=C(C=C(C=C2)Cl)C(=N1)C3=CC=CC=C3F)CC(F)(F)F
+CH$IUPAC: InChI=1S/C17H11ClF4N2S/c18-10-5-6-14-12(7-10)16(11-3-1-2-4-13(11)19)23-8-15(25)24(14)9-17(20,21)22/h1-7H,8-9H2
+CH$LINK: CAS 36735-22-5
+CH$LINK: CHEMSPIDER 4825
+CH$LINK: INCHIKEY IKMPWMZBZSAONZ-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:4999
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.211 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 385.01893
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+PK$SPLASH: splash10-0006-0290000000-9203c08c1816cc0cb4c9
+PK$NUM_PEAK: 5
+PK$PEAK: m/z int. rel.int.
+  35 1239 161
+  120 1740 226
+  181 1740 226
+  208 3690 479
+  244 7696 999
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01563.txt b/MSSJ/MSBNK-MSSJ-MSJ01563.txt
new file mode 100644
index 00000000000..38fc6f8e5b9
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01563.txt
@@ -0,0 +1,42 @@
+ACCESSION: MSBNK-MSSJ-MSJ01563
+RECORD_TITLE: Quazepam; LC-ESI-QQ; MS2; ESI; NEGATIVE; CE 50 V; [M-H]-
+DATE: 2023.03.24
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230324.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Quazepam
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C17H11ClF4N2S
+CH$EXACT_MASS: 386.02675
+CH$SMILES: C1C(=S)N(C2=C(C=C(C=C2)Cl)C(=N1)C3=CC=CC=C3F)CC(F)(F)F
+CH$IUPAC: InChI=1S/C17H11ClF4N2S/c18-10-5-6-14-12(7-10)16(11-3-1-2-4-13(11)19)23-8-15(25)24(14)9-17(20,21)22/h1-7H,8-9H2
+CH$LINK: CAS 36735-22-5
+CH$LINK: CHEMSPIDER 4825
+CH$LINK: INCHIKEY IKMPWMZBZSAONZ-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:4999
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.211 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 385.01893
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+PK$SPLASH: splash10-0016-1090000000-540355cdde00c72a9b90
+PK$NUM_PEAK: 6
+PK$PEAK: m/z int. rel.int.
+  35 1084 571
+  208 868 457
+  233 1053 554
+  244 1898 999
+  271 434 228
+  295 695 366
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01564.txt b/MSSJ/MSBNK-MSSJ-MSJ01564.txt
new file mode 100644
index 00000000000..b15428e056c
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01564.txt
@@ -0,0 +1,46 @@
+ACCESSION: MSBNK-MSSJ-MSJ01564
+RECORD_TITLE: Cloxazolam; LC-ESI-QQ; MS; ESI; POSITIVE
+DATE: 2023.03.24
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230324.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Cloxazolam
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C17H14Cl2N2O2
+CH$EXACT_MASS: 348.04323
+CH$SMILES: C1COC2(N1CC(=O)NC3=C2C=C(C=C3)Cl)C4=CC=CC=C4Cl
+CH$IUPAC: InChI=1S/C17H14Cl2N2O2/c18-11-5-6-15-13(9-11)17(12-3-1-2-4-14(12)19)21(7-8-23-17)10-16(22)20-15/h1-6,9H,7-8,10H2,(H,20,22)
+CH$LINK: CAS 24166-13-0
+CH$LINK: CHEMSPIDER 2714
+CH$LINK: INCHIKEY ZIXNZOBDFKSQTC-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:2816
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.919 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+PK$SPLASH: splash10-0f6t-0009000000-999b66a1c1f434b9f00b
+PK$NUM_PEAK: 13
+PK$PEAK: m/z int. rel.int.
+  349 2887009 999
+  350 516461 179
+  351 1999712 692
+  352 312772 108
+  353 243189 84
+  354 58342 20
+  355 60564 21
+  357 35309 12
+  371 99910 35
+  373 86824 30
+  387 55621 19
+  389 35257 12
+  437 32524 11
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01565.txt b/MSSJ/MSBNK-MSSJ-MSJ01565.txt
new file mode 100644
index 00000000000..dc7c09c4526
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01565.txt
@@ -0,0 +1,38 @@
+ACCESSION: MSBNK-MSSJ-MSJ01565
+RECORD_TITLE: Cloxazolam; LC-ESI-QQ; MS2; ESI; POSITIVE; CE 10 V; [M+H]+
+DATE: 2023.03.24
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230324.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Cloxazolam
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C17H14Cl2N2O2
+CH$EXACT_MASS: 348.04323
+CH$SMILES: C1COC2(N1CC(=O)NC3=C2C=C(C=C3)Cl)C4=CC=CC=C4Cl
+CH$IUPAC: InChI=1S/C17H14Cl2N2O2/c18-11-5-6-15-13(9-11)17(12-3-1-2-4-14(12)19)21(7-8-23-17)10-16(22)20-15/h1-6,9H,7-8,10H2,(H,20,22)
+CH$LINK: CAS 24166-13-0
+CH$LINK: CHEMSPIDER 2714
+CH$LINK: INCHIKEY ZIXNZOBDFKSQTC-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:2816
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.919 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 349.05050
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-0002-0009000000-e38fcf6d4da7e0325d6f
+PK$NUM_PEAK: 2
+PK$PEAK: m/z int. rel.int.
+  305 6994 14
+  349 508583 999
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01566.txt b/MSSJ/MSBNK-MSSJ-MSJ01566.txt
new file mode 100644
index 00000000000..916a677ae86
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01566.txt
@@ -0,0 +1,39 @@
+ACCESSION: MSBNK-MSSJ-MSJ01566
+RECORD_TITLE: Cloxazolam; LC-ESI-QQ; MS2; ESI; POSITIVE; CE 20 V; [M+H]+
+DATE: 2023.03.24
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230324.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Cloxazolam
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C17H14Cl2N2O2
+CH$EXACT_MASS: 348.04323
+CH$SMILES: C1COC2(N1CC(=O)NC3=C2C=C(C=C3)Cl)C4=CC=CC=C4Cl
+CH$IUPAC: InChI=1S/C17H14Cl2N2O2/c18-11-5-6-15-13(9-11)17(12-3-1-2-4-14(12)19)21(7-8-23-17)10-16(22)20-15/h1-6,9H,7-8,10H2,(H,20,22)
+CH$LINK: CAS 24166-13-0
+CH$LINK: CHEMSPIDER 2714
+CH$LINK: INCHIKEY ZIXNZOBDFKSQTC-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:2816
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.919 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 349.05050
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-0002-0009000000-d89f08eff1fcdd95dc50
+PK$NUM_PEAK: 3
+PK$PEAK: m/z int. rel.int.
+  140 5845 25
+  305 74469 324
+  349 229419 999
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01567.txt b/MSSJ/MSBNK-MSSJ-MSJ01567.txt
new file mode 100644
index 00000000000..c844f6d3fad
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01567.txt
@@ -0,0 +1,81 @@
+ACCESSION: MSBNK-MSSJ-MSJ01567
+RECORD_TITLE: Cloxazolam; LC-ESI-QQ; MS2; ESI; POSITIVE; CE 30 V; [M+H]+
+DATE: 2023.03.24
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230324.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Cloxazolam
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C17H14Cl2N2O2
+CH$EXACT_MASS: 348.04323
+CH$SMILES: C1COC2(N1CC(=O)NC3=C2C=C(C=C3)Cl)C4=CC=CC=C4Cl
+CH$IUPAC: InChI=1S/C17H14Cl2N2O2/c18-11-5-6-15-13(9-11)17(12-3-1-2-4-14(12)19)21(7-8-23-17)10-16(22)20-15/h1-6,9H,7-8,10H2,(H,20,22)
+CH$LINK: CAS 24166-13-0
+CH$LINK: CHEMSPIDER 2714
+CH$LINK: INCHIKEY ZIXNZOBDFKSQTC-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:2816
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.919 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 349.05050
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-0a4l-0759000000-8c666be2d3d2e74cdaa5
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+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01568.txt b/MSSJ/MSBNK-MSSJ-MSJ01568.txt
new file mode 100644
index 00000000000..b3750dd9337
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01568.txt
@@ -0,0 +1,93 @@
+ACCESSION: MSBNK-MSSJ-MSJ01568
+RECORD_TITLE: Cloxazolam; LC-ESI-QQ; MS2; ESI; POSITIVE; CE 40 V; [M+H]+
+DATE: 2023.03.24
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230324.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Cloxazolam
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C17H14Cl2N2O2
+CH$EXACT_MASS: 348.04323
+CH$SMILES: C1COC2(N1CC(=O)NC3=C2C=C(C=C3)Cl)C4=CC=CC=C4Cl
+CH$IUPAC: InChI=1S/C17H14Cl2N2O2/c18-11-5-6-15-13(9-11)17(12-3-1-2-4-14(12)19)21(7-8-23-17)10-16(22)20-15/h1-6,9H,7-8,10H2,(H,20,22)
+CH$LINK: CAS 24166-13-0
+CH$LINK: CHEMSPIDER 2714
+CH$LINK: INCHIKEY ZIXNZOBDFKSQTC-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:2816
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.919 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 349.05050
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-0006-0950000000-fb4ae2a7220b8cc3c9bd
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+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01569.txt b/MSSJ/MSBNK-MSSJ-MSJ01569.txt
new file mode 100644
index 00000000000..1d2f1e3974a
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01569.txt
@@ -0,0 +1,104 @@
+ACCESSION: MSBNK-MSSJ-MSJ01569
+RECORD_TITLE: Cloxazolam; LC-ESI-QQ; MS2; ESI; POSITIVE; CE 50 V; [M+H]+
+DATE: 2023.03.24
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230324.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Cloxazolam
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C17H14Cl2N2O2
+CH$EXACT_MASS: 348.04323
+CH$SMILES: C1COC2(N1CC(=O)NC3=C2C=C(C=C3)Cl)C4=CC=CC=C4Cl
+CH$IUPAC: InChI=1S/C17H14Cl2N2O2/c18-11-5-6-15-13(9-11)17(12-3-1-2-4-14(12)19)21(7-8-23-17)10-16(22)20-15/h1-6,9H,7-8,10H2,(H,20,22)
+CH$LINK: CAS 24166-13-0
+CH$LINK: CHEMSPIDER 2714
+CH$LINK: INCHIKEY ZIXNZOBDFKSQTC-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:2816
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.919 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 349.05050
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-0006-1960000000-200a6b6afa1dfff4e1e0
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+  305 2966 72
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01570.txt b/MSSJ/MSBNK-MSSJ-MSJ01570.txt
new file mode 100644
index 00000000000..ed3cffbc5b4
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01570.txt
@@ -0,0 +1,65 @@
+ACCESSION: MSBNK-MSSJ-MSJ01570
+RECORD_TITLE: Cloxazolam; LC-ESI-QQ; MS; ESI; NEGATIVE
+DATE: 2023.03.24
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230324.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Cloxazolam
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C17H14Cl2N2O2
+CH$EXACT_MASS: 348.04323
+CH$SMILES: C1COC2(N1CC(=O)NC3=C2C=C(C=C3)Cl)C4=CC=CC=C4Cl
+CH$IUPAC: InChI=1S/C17H14Cl2N2O2/c18-11-5-6-15-13(9-11)17(12-3-1-2-4-14(12)19)21(7-8-23-17)10-16(22)20-15/h1-6,9H,7-8,10H2,(H,20,22)
+CH$LINK: CAS 24166-13-0
+CH$LINK: CHEMSPIDER 2714
+CH$LINK: INCHIKEY ZIXNZOBDFKSQTC-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:2816
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.919 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+PK$SPLASH: splash10-0002-0009000000-874873d0a1e9102775a7
+PK$NUM_PEAK: 32
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+  461 14115 13
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01571.txt b/MSSJ/MSBNK-MSSJ-MSJ01571.txt
new file mode 100644
index 00000000000..a1a68f1d656
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01571.txt
@@ -0,0 +1,45 @@
+ACCESSION: MSBNK-MSSJ-MSJ01571
+RECORD_TITLE: Cloxazolam; LC-ESI-QQ; MS2; ESI; NEGATIVE; CE 10 V; [M-H]-
+DATE: 2023.03.24
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230324.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Cloxazolam
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C17H14Cl2N2O2
+CH$EXACT_MASS: 348.04323
+CH$SMILES: C1COC2(N1CC(=O)NC3=C2C=C(C=C3)Cl)C4=CC=CC=C4Cl
+CH$IUPAC: InChI=1S/C17H14Cl2N2O2/c18-11-5-6-15-13(9-11)17(12-3-1-2-4-14(12)19)21(7-8-23-17)10-16(22)20-15/h1-6,9H,7-8,10H2,(H,20,22)
+CH$LINK: CAS 24166-13-0
+CH$LINK: CHEMSPIDER 2714
+CH$LINK: INCHIKEY ZIXNZOBDFKSQTC-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:2816
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.919 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 347.03540
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+PK$SPLASH: splash10-00l2-0039000000-75b57d924175d76b48b1
+PK$NUM_PEAK: 9
+PK$PEAK: m/z int. rel.int.
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+  317 36715 755
+  347 48561 999
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01572.txt b/MSSJ/MSBNK-MSSJ-MSJ01572.txt
new file mode 100644
index 00000000000..8b212a00797
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01572.txt
@@ -0,0 +1,52 @@
+ACCESSION: MSBNK-MSSJ-MSJ01572
+RECORD_TITLE: Cloxazolam; LC-ESI-QQ; MS2; ESI; NEGATIVE; CE 20 V; [M-H]-
+DATE: 2023.03.24
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230324.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Cloxazolam
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C17H14Cl2N2O2
+CH$EXACT_MASS: 348.04323
+CH$SMILES: C1COC2(N1CC(=O)NC3=C2C=C(C=C3)Cl)C4=CC=CC=C4Cl
+CH$IUPAC: InChI=1S/C17H14Cl2N2O2/c18-11-5-6-15-13(9-11)17(12-3-1-2-4-14(12)19)21(7-8-23-17)10-16(22)20-15/h1-6,9H,7-8,10H2,(H,20,22)
+CH$LINK: CAS 24166-13-0
+CH$LINK: CHEMSPIDER 2714
+CH$LINK: INCHIKEY ZIXNZOBDFKSQTC-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:2816
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.919 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 347.03540
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+PK$SPLASH: splash10-001i-0291000000-826ca6af76377d9e17ea
+PK$NUM_PEAK: 16
+PK$PEAK: m/z int. rel.int.
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+  263 374 13
+  275 4616 157
+  281 29420 999
+  317 6021 204
+  347 886 30
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01573.txt b/MSSJ/MSBNK-MSSJ-MSJ01573.txt
new file mode 100644
index 00000000000..46f7b7908e1
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01573.txt
@@ -0,0 +1,59 @@
+ACCESSION: MSBNK-MSSJ-MSJ01573
+RECORD_TITLE: Cloxazolam; LC-ESI-QQ; MS2; ESI; NEGATIVE; CE 30 V; [M-H]-
+DATE: 2023.03.24
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230324.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Cloxazolam
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C17H14Cl2N2O2
+CH$EXACT_MASS: 348.04323
+CH$SMILES: C1COC2(N1CC(=O)NC3=C2C=C(C=C3)Cl)C4=CC=CC=C4Cl
+CH$IUPAC: InChI=1S/C17H14Cl2N2O2/c18-11-5-6-15-13(9-11)17(12-3-1-2-4-14(12)19)21(7-8-23-17)10-16(22)20-15/h1-6,9H,7-8,10H2,(H,20,22)
+CH$LINK: CAS 24166-13-0
+CH$LINK: CHEMSPIDER 2714
+CH$LINK: INCHIKEY ZIXNZOBDFKSQTC-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:2816
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.919 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 347.03540
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+PK$SPLASH: splash10-0f79-2490000000-1054635d4015cab92c79
+PK$NUM_PEAK: 23
+PK$PEAK: m/z int. rel.int.
+  35 2290 296
+  42 2508 325
+  45 374 48
+  66 1432 185
+  116 2926 379
+  128 1984 257
+  136 1500 194
+  152 4893 633
+  159 743 96
+  178 374 48
+  206 374 48
+  224 747 97
+  238 7720 999
+  250 749 97
+  251 2252 291
+  253 3928 508
+  263 749 97
+  265 1500 194
+  266 749 97
+  267 1500 194
+  275 374 48
+  278 749 97
+  281 1801 233
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01574.txt b/MSSJ/MSBNK-MSSJ-MSJ01574.txt
new file mode 100644
index 00000000000..0b2ebf3be3c
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01574.txt
@@ -0,0 +1,49 @@
+ACCESSION: MSBNK-MSSJ-MSJ01574
+RECORD_TITLE: Cloxazolam; LC-ESI-QQ; MS2; ESI; NEGATIVE; CE 40 V; [M-H]-
+DATE: 2023.03.24
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230324.xlsx file
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Cloxazolam
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C17H14Cl2N2O2
+CH$EXACT_MASS: 348.04323
+CH$SMILES: C1COC2(N1CC(=O)NC3=C2C=C(C=C3)Cl)C4=CC=CC=C4Cl
+CH$IUPAC: InChI=1S/C17H14Cl2N2O2/c18-11-5-6-15-13(9-11)17(12-3-1-2-4-14(12)19)21(7-8-23-17)10-16(22)20-15/h1-6,9H,7-8,10H2,(H,20,22)
+CH$LINK: CAS 24166-13-0
+CH$LINK: CHEMSPIDER 2714
+CH$LINK: INCHIKEY ZIXNZOBDFKSQTC-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:2816
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.919 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 347.03540
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+PK$SPLASH: splash10-00y3-6290000000-cc826cc69190506c46fa
+PK$NUM_PEAK: 13
+PK$PEAK: m/z int. rel.int.
+  26 374 85
+  35 2505 569
+  42 2308 524
+  45 749 170
+  111 749 170
+  116 1008 229
+  152 749 170
+  213 74 17
+  224 4396 999
+  237 1115 253
+  238 743 169
+  253 374 85
+  267 2082 473
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01575.txt b/MSSJ/MSBNK-MSSJ-MSJ01575.txt
new file mode 100644
index 00000000000..438c32e7f9a
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01575.txt
@@ -0,0 +1,50 @@
+ACCESSION: MSBNK-MSSJ-MSJ01575
+RECORD_TITLE: Cloxazolam; LC-ESI-QQ; MS2; ESI; NEGATIVE; CE 50 V; [M-H]-
+DATE: 2023.03.24
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230324.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Cloxazolam
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C17H14Cl2N2O2
+CH$EXACT_MASS: 348.04323
+CH$SMILES: C1COC2(N1CC(=O)NC3=C2C=C(C=C3)Cl)C4=CC=CC=C4Cl
+CH$IUPAC: InChI=1S/C17H14Cl2N2O2/c18-11-5-6-15-13(9-11)17(12-3-1-2-4-14(12)19)21(7-8-23-17)10-16(22)20-15/h1-6,9H,7-8,10H2,(H,20,22)
+CH$LINK: CAS 24166-13-0
+CH$LINK: CHEMSPIDER 2714
+CH$LINK: INCHIKEY ZIXNZOBDFKSQTC-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:2816
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.919 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 347.03540
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+PK$SPLASH: splash10-0006-3980000000-d7ad425935c6b9ca405d
+PK$NUM_PEAK: 14
+PK$PEAK: m/z int. rel.int.
+  35 374 174
+  42 1140 530
+  111 715 332
+  138 374 174
+  151 374 174
+  177 374 174
+  191 2150 999
+  224 374 174
+  237 374 174
+  252 374 174
+  253 749 348
+  260 749 348
+  266 715 332
+  281 374 174
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01576.txt b/MSSJ/MSBNK-MSSJ-MSJ01576.txt
new file mode 100644
index 00000000000..4e4868ce673
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01576.txt
@@ -0,0 +1,39 @@
+ACCESSION: MSBNK-MSSJ-MSJ01576
+RECORD_TITLE: Clotiazepam; LC-ESI-QQ; MS; ESI; POSITIVE
+DATE: 2023.03.24
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230324-3.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Clotiazepam
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C16H15ClN2OS
+CH$EXACT_MASS: 318.05935
+CH$SMILES: CCC1=CC2=C(S1)N(C(=O)CN=C2C3=CC=CC=C3Cl)C
+CH$IUPAC: InChI=1S/C16H15ClN2OS/c1-3-10-8-12-15(11-6-4-5-7-13(11)17)18-9-14(20)19(2)16(12)21-10/h4-8H,3,9H2,1-2H3
+CH$LINK: CAS 33671-46-4
+CH$LINK: CHEMSPIDER 2709
+CH$LINK: INCHIKEY CHBRHODLKOZEPZ-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:2811
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.928 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+PK$SPLASH: splash10-01b9-0009000000-52824030bab68fcaac0e
+PK$NUM_PEAK: 6
+PK$PEAK: m/z int. rel.int.
+  319 4685119 999
+  320 1035920 221
+  321 1969095 420
+  322 333767 71
+  323 103393 22
+  437 62136 13
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01577.txt b/MSSJ/MSBNK-MSSJ-MSJ01577.txt
new file mode 100644
index 00000000000..85e775a81de
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01577.txt
@@ -0,0 +1,38 @@
+ACCESSION: MSBNK-MSSJ-MSJ01577
+RECORD_TITLE: Clotiazepam; LC-ESI-QQ; MS2; ESI; POSITIVE; CE 10 V; [M+H]+
+DATE: 2023.03.24
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230324-3.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Clotiazepam
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C16H15ClN2OS
+CH$EXACT_MASS: 318.05935
+CH$SMILES: CCC1=CC2=C(S1)N(C(=O)CN=C2C3=CC=CC=C3Cl)C
+CH$IUPAC: InChI=1S/C16H15ClN2OS/c1-3-10-8-12-15(11-6-4-5-7-13(11)17)18-9-14(20)19(2)16(12)21-10/h4-8H,3,9H2,1-2H3
+CH$LINK: CAS 33671-46-4
+CH$LINK: CHEMSPIDER 2709
+CH$LINK: INCHIKEY CHBRHODLKOZEPZ-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:2811
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.928 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 319.06663
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-014i-0009000000-830552de42983a195919
+PK$NUM_PEAK: 2
+PK$PEAK: m/z int. rel.int.
+  291 27413 19
+  319 1427934 999
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01578.txt b/MSSJ/MSBNK-MSSJ-MSJ01578.txt
new file mode 100644
index 00000000000..322e867a893
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01578.txt
@@ -0,0 +1,44 @@
+ACCESSION: MSBNK-MSSJ-MSJ01578
+RECORD_TITLE: Clotiazepam; LC-ESI-QQ; MS2; ESI; POSITIVE; CE 20 V; [M+H]+
+DATE: 2023.03.24
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230324-3.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Clotiazepam
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C16H15ClN2OS
+CH$EXACT_MASS: 318.05935
+CH$SMILES: CCC1=CC2=C(S1)N(C(=O)CN=C2C3=CC=CC=C3Cl)C
+CH$IUPAC: InChI=1S/C16H15ClN2OS/c1-3-10-8-12-15(11-6-4-5-7-13(11)17)18-9-14(20)19(2)16(12)21-10/h4-8H,3,9H2,1-2H3
+CH$LINK: CAS 33671-46-4
+CH$LINK: CHEMSPIDER 2709
+CH$LINK: INCHIKEY CHBRHODLKOZEPZ-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:2811
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.928 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 319.06663
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-014i-0039000000-33af2e6fb23b1260f8c5
+PK$NUM_PEAK: 8
+PK$PEAK: m/z int. rel.int.
+  74 6819 10
+  154 54626 81
+  177 7056 10
+  218 43207 64
+  250 16527 24
+  260 8617 13
+  291 221836 328
+  319 674863 999
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01579.txt b/MSSJ/MSBNK-MSSJ-MSJ01579.txt
new file mode 100644
index 00000000000..28b779f9353
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01579.txt
@@ -0,0 +1,94 @@
+ACCESSION: MSBNK-MSSJ-MSJ01579
+RECORD_TITLE: Clotiazepam; LC-ESI-QQ; MS2; ESI; POSITIVE; CE 30 V; [M+H]+
+DATE: 2023.03.24
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230324-3.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Clotiazepam
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C16H15ClN2OS
+CH$EXACT_MASS: 318.05935
+CH$SMILES: CCC1=CC2=C(S1)N(C(=O)CN=C2C3=CC=CC=C3Cl)C
+CH$IUPAC: InChI=1S/C16H15ClN2OS/c1-3-10-8-12-15(11-6-4-5-7-13(11)17)18-9-14(20)19(2)16(12)21-10/h4-8H,3,9H2,1-2H3
+CH$LINK: CAS 33671-46-4
+CH$LINK: CHEMSPIDER 2709
+CH$LINK: INCHIKEY CHBRHODLKOZEPZ-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:2811
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.928 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 319.06663
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-0udi-1970000000-af18ce1c05f90e31ba65
+PK$NUM_PEAK: 58
+PK$PEAK: m/z int. rel.int.
+  74 54660 302
+  79 2823 16
+  80 2675 15
+  106 2414 13
+  108 2721 15
+  111 1879 10
+  113 23862 132
+  119 2089 12
+  120 2978 16
+  121 9203 51
+  125 16949 94
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+  138 11157 62
+  139 4579 25
+  152 5090 28
+  154 180845 999
+  155 10129 56
+  156 3405 19
+  165 8532 47
+  166 6248 35
+  167 12089 67
+  168 16918 93
+  177 17994 99
+  181 4071 22
+  182 10812 60
+  183 24571 136
+  186 2210 12
+  190 12502 69
+  191 3080 17
+  203 12086 67
+  206 2396 13
+  210 3519 19
+  212 2079 11
+  213 3087 17
+  216 2407 13
+  218 54689 302
+  224 9408 52
+  225 10723 59
+  227 11477 63
+  228 3217 18
+  229 4367 24
+  233 10348 57
+  235 2394 13
+  240 2512 14
+  241 4396 24
+  243 4481 25
+  249 4805 27
+  250 30743 170
+  255 4217 23
+  257 7895 44
+  258 6370 35
+  260 7571 42
+  262 11185 62
+  264 3366 19
+  275 20202 112
+  276 3888 21
+  291 102572 567
+  319 37950 210
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01580.txt b/MSSJ/MSBNK-MSSJ-MSJ01580.txt
new file mode 100644
index 00000000000..a7c36834953
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01580.txt
@@ -0,0 +1,177 @@
+ACCESSION: MSBNK-MSSJ-MSJ01580
+RECORD_TITLE: Clotiazepam; LC-ESI-QQ; MS2; ESI; POSITIVE; CE 40 V; [M+H]+
+DATE: 2023.03.24
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230324-3.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Clotiazepam
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C16H15ClN2OS
+CH$EXACT_MASS: 318.05935
+CH$SMILES: CCC1=CC2=C(S1)N(C(=O)CN=C2C3=CC=CC=C3Cl)C
+CH$IUPAC: InChI=1S/C16H15ClN2OS/c1-3-10-8-12-15(11-6-4-5-7-13(11)17)18-9-14(20)19(2)16(12)21-10/h4-8H,3,9H2,1-2H3
+CH$LINK: CAS 33671-46-4
+CH$LINK: CHEMSPIDER 2709
+CH$LINK: INCHIKEY CHBRHODLKOZEPZ-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:2811
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.928 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 319.06663
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
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+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01581.txt b/MSSJ/MSBNK-MSSJ-MSJ01581.txt
new file mode 100644
index 00000000000..d941d6b1923
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01581.txt
@@ -0,0 +1,180 @@
+ACCESSION: MSBNK-MSSJ-MSJ01581
+RECORD_TITLE: Clotiazepam; LC-ESI-QQ; MS2; ESI; POSITIVE; CE 50 V; [M+H]+
+DATE: 2023.03.24
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230324-3.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Clotiazepam
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C16H15ClN2OS
+CH$EXACT_MASS: 318.05935
+CH$SMILES: CCC1=CC2=C(S1)N(C(=O)CN=C2C3=CC=CC=C3Cl)C
+CH$IUPAC: InChI=1S/C16H15ClN2OS/c1-3-10-8-12-15(11-6-4-5-7-13(11)17)18-9-14(20)19(2)16(12)21-10/h4-8H,3,9H2,1-2H3
+CH$LINK: CAS 33671-46-4
+CH$LINK: CHEMSPIDER 2709
+CH$LINK: INCHIKEY CHBRHODLKOZEPZ-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:2811
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.928 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 319.06663
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-00vi-4930000000-6de3be27fe2a2e15b1be
+PK$NUM_PEAK: 144
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+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01582.txt b/MSSJ/MSBNK-MSSJ-MSJ01582.txt
new file mode 100644
index 00000000000..1a1242cc603
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01582.txt
@@ -0,0 +1,39 @@
+ACCESSION: MSBNK-MSSJ-MSJ01582
+RECORD_TITLE: Clonazepam; LC-ESI-QQ; MS; ESI; POSITIVE
+DATE: 2023.03.24
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230324-3.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Clonazepam
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C15H10ClN3O3
+CH$EXACT_MASS: 315.04105
+CH$SMILES: C1C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C(=N1)C3=CC=CC=C3Cl
+CH$IUPAC: InChI=1S/C15H10ClN3O3/c16-12-4-2-1-3-10(12)15-11-7-9(19(21)22)5-6-13(11)18-14(20)8-17-15/h1-7H,8H2,(H,18,20)
+CH$LINK: CAS 1622-61-3
+CH$LINK: CHEMSPIDER 2700
+CH$LINK: INCHIKEY DGBIGWXXNGSACT-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:2802
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.612 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+PK$SPLASH: splash10-014i-0009000000-6ee074209fa87d0ee0f6
+PK$NUM_PEAK: 6
+PK$PEAK: m/z int. rel.int.
+  316 2551530 999
+  317 462431 181
+  318 879757 344
+  319 161915 63
+  338 92423 36
+  354 31591 12
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01583.txt b/MSSJ/MSBNK-MSSJ-MSJ01583.txt
new file mode 100644
index 00000000000..683eb15cb19
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01583.txt
@@ -0,0 +1,38 @@
+ACCESSION: MSBNK-MSSJ-MSJ01583
+RECORD_TITLE: Clonazepam; LC-ESI-QQ; MS2; ESI; POSITIVE; CE 10 V; [M+H]+
+DATE: 2023.03.24
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230324-3.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Clonazepam
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C15H10ClN3O3
+CH$EXACT_MASS: 315.04105
+CH$SMILES: C1C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C(=N1)C3=CC=CC=C3Cl
+CH$IUPAC: InChI=1S/C15H10ClN3O3/c16-12-4-2-1-3-10(12)15-11-7-9(19(21)22)5-6-13(11)18-14(20)8-17-15/h1-7H,8H2,(H,18,20)
+CH$LINK: CAS 1622-61-3
+CH$LINK: CHEMSPIDER 2700
+CH$LINK: INCHIKEY DGBIGWXXNGSACT-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:2802
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.612 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 316.04834
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-014i-0009000000-114e8a4a648447e468f8
+PK$NUM_PEAK: 2
+PK$PEAK: m/z int. rel.int.
+  270 5329 14
+  316 379407 999
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01584.txt b/MSSJ/MSBNK-MSSJ-MSJ01584.txt
new file mode 100644
index 00000000000..f131220c78a
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01584.txt
@@ -0,0 +1,41 @@
+ACCESSION: MSBNK-MSSJ-MSJ01584
+RECORD_TITLE: Clonazepam; LC-ESI-QQ; MS2; ESI; POSITIVE; CE 20 V; [M+H]+
+DATE: 2023.03.24
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230324-3.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Clonazepam
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C15H10ClN3O3
+CH$EXACT_MASS: 315.04105
+CH$SMILES: C1C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C(=N1)C3=CC=CC=C3Cl
+CH$IUPAC: InChI=1S/C15H10ClN3O3/c16-12-4-2-1-3-10(12)15-11-7-9(19(21)22)5-6-13(11)18-14(20)8-17-15/h1-7H,8H2,(H,18,20)
+CH$LINK: CAS 1622-61-3
+CH$LINK: CHEMSPIDER 2700
+CH$LINK: INCHIKEY DGBIGWXXNGSACT-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:2802
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.612 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 316.04834
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-014i-0039000000-4743050e38c5abbcf7a8
+PK$NUM_PEAK: 5
+PK$PEAK: m/z int. rel.int.
+  214 2220 14
+  229 1634 10
+  270 62514 386
+  285 1820 11
+  316 161629 999
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01585.txt b/MSSJ/MSBNK-MSSJ-MSJ01585.txt
new file mode 100644
index 00000000000..9a85fa24feb
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01585.txt
@@ -0,0 +1,61 @@
+ACCESSION: MSBNK-MSSJ-MSJ01585
+RECORD_TITLE: Clonazepam; LC-ESI-QQ; MS2; ESI; POSITIVE; CE 30 V; [M+H]+
+DATE: 2023.03.24
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230324-3.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Clonazepam
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C15H10ClN3O3
+CH$EXACT_MASS: 315.04105
+CH$SMILES: C1C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C(=N1)C3=CC=CC=C3Cl
+CH$IUPAC: InChI=1S/C15H10ClN3O3/c16-12-4-2-1-3-10(12)15-11-7-9(19(21)22)5-6-13(11)18-14(20)8-17-15/h1-7H,8H2,(H,18,20)
+CH$LINK: CAS 1622-61-3
+CH$LINK: CHEMSPIDER 2700
+CH$LINK: INCHIKEY DGBIGWXXNGSACT-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:2802
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.612 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 316.04834
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-00di-0190000000-f0c4cfd7aa314b4c1b26
+PK$NUM_PEAK: 25
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+  270 87590 999
+  316 9386 107
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01586.txt b/MSSJ/MSBNK-MSSJ-MSJ01586.txt
new file mode 100644
index 00000000000..7e4c712c30f
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01586.txt
@@ -0,0 +1,106 @@
+ACCESSION: MSBNK-MSSJ-MSJ01586
+RECORD_TITLE: Clonazepam; LC-ESI-QQ; MS2; ESI; POSITIVE; CE 40 V; [M+H]+
+DATE: 2023.03.24
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230324-3.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Clonazepam
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C15H10ClN3O3
+CH$EXACT_MASS: 315.04105
+CH$SMILES: C1C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C(=N1)C3=CC=CC=C3Cl
+CH$IUPAC: InChI=1S/C15H10ClN3O3/c16-12-4-2-1-3-10(12)15-11-7-9(19(21)22)5-6-13(11)18-14(20)8-17-15/h1-7H,8H2,(H,18,20)
+CH$LINK: CAS 1622-61-3
+CH$LINK: CHEMSPIDER 2700
+CH$LINK: INCHIKEY DGBIGWXXNGSACT-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:2802
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.612 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 316.04834
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-06xx-0590000000-1da8159223748cde9174
+PK$NUM_PEAK: 70
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+  316.2 810 32
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01587.txt b/MSSJ/MSBNK-MSSJ-MSJ01587.txt
new file mode 100644
index 00000000000..7aece12d4b3
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01587.txt
@@ -0,0 +1,110 @@
+ACCESSION: MSBNK-MSSJ-MSJ01587
+RECORD_TITLE: Clonazepam; LC-ESI-QQ; MS2; ESI; POSITIVE; CE 50 V; [M+H]+
+DATE: 2023.03.24
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230324-3.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Clonazepam
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C15H10ClN3O3
+CH$EXACT_MASS: 315.04105
+CH$SMILES: C1C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C(=N1)C3=CC=CC=C3Cl
+CH$IUPAC: InChI=1S/C15H10ClN3O3/c16-12-4-2-1-3-10(12)15-11-7-9(19(21)22)5-6-13(11)18-14(20)8-17-15/h1-7H,8H2,(H,18,20)
+CH$LINK: CAS 1622-61-3
+CH$LINK: CHEMSPIDER 2700
+CH$LINK: INCHIKEY DGBIGWXXNGSACT-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:2802
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.612 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 316.04834
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-114l-0960000000-2da92a51b3648e227933
+PK$NUM_PEAK: 74
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+  270 1634 79
+  316 407 20
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01588.txt b/MSSJ/MSBNK-MSSJ-MSJ01588.txt
new file mode 100644
index 00000000000..d83eaf3c516
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01588.txt
@@ -0,0 +1,39 @@
+ACCESSION: MSBNK-MSSJ-MSJ01588
+RECORD_TITLE: Clonazepam; LC-ESI-QQ; MS; ESI; NEGATIVE
+DATE: 2023.03.24
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230324-3.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Clonazepam
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C15H10ClN3O3
+CH$EXACT_MASS: 315.04105
+CH$SMILES: C1C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C(=N1)C3=CC=CC=C3Cl
+CH$IUPAC: InChI=1S/C15H10ClN3O3/c16-12-4-2-1-3-10(12)15-11-7-9(19(21)22)5-6-13(11)18-14(20)8-17-15/h1-7H,8H2,(H,18,20)
+CH$LINK: CAS 1622-61-3
+CH$LINK: CHEMSPIDER 2700
+CH$LINK: INCHIKEY DGBIGWXXNGSACT-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:2802
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.612 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+PK$SPLASH: splash10-03xr-0009000000-bb708f93753c2e3cafaa
+PK$NUM_PEAK: 6
+PK$PEAK: m/z int. rel.int.
+  278 31508 12
+  314 2527872 999
+  315 422154 167
+  316 950653 376
+  317 116435 46
+  350 31496 12
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01589.txt b/MSSJ/MSBNK-MSSJ-MSJ01589.txt
new file mode 100644
index 00000000000..cbd44251abf
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01589.txt
@@ -0,0 +1,40 @@
+ACCESSION: MSBNK-MSSJ-MSJ01589
+RECORD_TITLE: Clonazepam; LC-ESI-QQ; MS2; ESI; NEGATIVE; CE 10 V; [M-H]-
+DATE: 2023.03.24
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230324-3.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Clonazepam
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C15H10ClN3O3
+CH$EXACT_MASS: 315.04105
+CH$SMILES: C1C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C(=N1)C3=CC=CC=C3Cl
+CH$IUPAC: InChI=1S/C15H10ClN3O3/c16-12-4-2-1-3-10(12)15-11-7-9(19(21)22)5-6-13(11)18-14(20)8-17-15/h1-7H,8H2,(H,18,20)
+CH$LINK: CAS 1622-61-3
+CH$LINK: CHEMSPIDER 2700
+CH$LINK: INCHIKEY DGBIGWXXNGSACT-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:2802
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.612 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 314.03323
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+PK$SPLASH: splash10-03di-0029000000-3b498d1317211dd57cc9
+PK$NUM_PEAK: 4
+PK$PEAK: m/z int. rel.int.
+  248 21798 26
+  278 152746 180
+  286 48456 57
+  314 846942 999
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01590.txt b/MSSJ/MSBNK-MSSJ-MSJ01590.txt
new file mode 100644
index 00000000000..30b7773c29c
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01590.txt
@@ -0,0 +1,51 @@
+ACCESSION: MSBNK-MSSJ-MSJ01590
+RECORD_TITLE: Clonazepam; LC-ESI-QQ; MS2; ESI; NEGATIVE; CE 20 V; [M-H]-
+DATE: 2023.03.24
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230324-3.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Clonazepam
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C15H10ClN3O3
+CH$EXACT_MASS: 315.04105
+CH$SMILES: C1C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C(=N1)C3=CC=CC=C3Cl
+CH$IUPAC: InChI=1S/C15H10ClN3O3/c16-12-4-2-1-3-10(12)15-11-7-9(19(21)22)5-6-13(11)18-14(20)8-17-15/h1-7H,8H2,(H,18,20)
+CH$LINK: CAS 1622-61-3
+CH$LINK: CHEMSPIDER 2700
+CH$LINK: INCHIKEY DGBIGWXXNGSACT-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:2802
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.612 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 314.03323
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+PK$SPLASH: splash10-004r-0090000000-710795f9d09daf85a01a
+PK$NUM_PEAK: 15
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+  287 10462 49
+  314 37811 176
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01591.txt b/MSSJ/MSBNK-MSSJ-MSJ01591.txt
new file mode 100644
index 00000000000..0dff8bb3aeb
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01591.txt
@@ -0,0 +1,63 @@
+ACCESSION: MSBNK-MSSJ-MSJ01591
+RECORD_TITLE: Clonazepam; LC-ESI-QQ; MS2; ESI; NEGATIVE; CE 30 V; [M-H]-
+DATE: 2023.03.24
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230324-3.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Clonazepam
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C15H10ClN3O3
+CH$EXACT_MASS: 315.04105
+CH$SMILES: C1C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C(=N1)C3=CC=CC=C3Cl
+CH$IUPAC: InChI=1S/C15H10ClN3O3/c16-12-4-2-1-3-10(12)15-11-7-9(19(21)22)5-6-13(11)18-14(20)8-17-15/h1-7H,8H2,(H,18,20)
+CH$LINK: CAS 1622-61-3
+CH$LINK: CHEMSPIDER 2700
+CH$LINK: INCHIKEY DGBIGWXXNGSACT-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:2802
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.612 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 314.03323
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+PK$SPLASH: splash10-0012-1090000000-f1b68c47e197515f0cec
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+  287 1122 35
+  314 1993 62
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01592.txt b/MSSJ/MSBNK-MSSJ-MSJ01592.txt
new file mode 100644
index 00000000000..19f7abf0ffe
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01592.txt
@@ -0,0 +1,68 @@
+ACCESSION: MSBNK-MSSJ-MSJ01592
+RECORD_TITLE: Clonazepam; LC-ESI-QQ; MS2; ESI; NEGATIVE; CE 40 V; [M-H]-
+DATE: 2023.03.24
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230324-3.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Clonazepam
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C15H10ClN3O3
+CH$EXACT_MASS: 315.04105
+CH$SMILES: C1C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C(=N1)C3=CC=CC=C3Cl
+CH$IUPAC: InChI=1S/C15H10ClN3O3/c16-12-4-2-1-3-10(12)15-11-7-9(19(21)22)5-6-13(11)18-14(20)8-17-15/h1-7H,8H2,(H,18,20)
+CH$LINK: CAS 1622-61-3
+CH$LINK: CHEMSPIDER 2700
+CH$LINK: INCHIKEY DGBIGWXXNGSACT-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:2802
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.612 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 314.03323
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+PK$SPLASH: splash10-00lm-4190000000-896bb80b79cafd6d95a4
+PK$NUM_PEAK: 32
+PK$PEAK: m/z int. rel.int.
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+  251 1194 64
+  256 1224 66
+  261 611 33
+  278 950 51
+  286 305 16
+  313 808 43
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01593.txt b/MSSJ/MSBNK-MSSJ-MSJ01593.txt
new file mode 100644
index 00000000000..15d8cfd5e4f
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01593.txt
@@ -0,0 +1,67 @@
+ACCESSION: MSBNK-MSSJ-MSJ01593
+RECORD_TITLE: Clonazepam; LC-ESI-QQ; MS2; ESI; NEGATIVE; CE 50 V; [M-H]-
+DATE: 2023.03.24
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230324-3.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Clonazepam
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C15H10ClN3O3
+CH$EXACT_MASS: 315.04105
+CH$SMILES: C1C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C(=N1)C3=CC=CC=C3Cl
+CH$IUPAC: InChI=1S/C15H10ClN3O3/c16-12-4-2-1-3-10(12)15-11-7-9(19(21)22)5-6-13(11)18-14(20)8-17-15/h1-7H,8H2,(H,18,20)
+CH$LINK: CAS 1622-61-3
+CH$LINK: CHEMSPIDER 2700
+CH$LINK: INCHIKEY DGBIGWXXNGSACT-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:2802
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.612 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 314.03323
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+PK$SPLASH: splash10-00ku-9570000000-032e7069afa2b8304a52
+PK$NUM_PEAK: 31
+PK$PEAK: m/z int. rel.int.
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+  279 305 17
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+  288 584 33
+  313 611 34
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01594.txt b/MSSJ/MSBNK-MSSJ-MSJ01594.txt
new file mode 100644
index 00000000000..b9db8fc9d59
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01594.txt
@@ -0,0 +1,46 @@
+ACCESSION: MSBNK-MSSJ-MSJ01594
+RECORD_TITLE: Clobazam; LC-ESI-QQ; MS; ESI; POSITIVE
+DATE: 2023.03.24
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230324-3.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Clobazam
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C16H13ClN2O2
+CH$EXACT_MASS: 300.06655
+CH$SMILES: CN1C(=O)CC(=O)N(C2=C1C=CC(=C2)Cl)C3=CC=CC=C3
+CH$IUPAC: InChI=1S/C16H13ClN2O2/c1-18-13-8-7-11(17)9-14(13)19(16(21)10-15(18)20)12-5-3-2-4-6-12/h2-9H,10H2,1H3
+CH$LINK: CAS 22316-47-8
+CH$LINK: CHEMSPIDER 2687
+CH$LINK: INCHIKEY CXOXHMZGEKVPMT-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:2789
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.818 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+PK$SPLASH: splash10-0udi-0009000000-2d071091bd5a785329f2
+PK$NUM_PEAK: 13
+PK$PEAK: m/z int. rel.int.
+  259 62097 25
+  301 2509413 999
+  302 429665 171
+  303 957941 381
+  304 151638 60
+  318 617059 246
+  319 115890 46
+  320 223997 89
+  321 32715 13
+  323 81627 32
+  333 30323 12
+  339 60680 24
+  341 31475 13
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01595.txt b/MSSJ/MSBNK-MSSJ-MSJ01595.txt
new file mode 100644
index 00000000000..010e89fa4e2
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01595.txt
@@ -0,0 +1,39 @@
+ACCESSION: MSBNK-MSSJ-MSJ01595
+RECORD_TITLE: Clobazam; LC-ESI-QQ; MS2; ESI; POSITIVE; CE 10 V; [M+H]+
+DATE: 2023.03.24
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230324-3.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Clobazam
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C16H13ClN2O2
+CH$EXACT_MASS: 300.06655
+CH$SMILES: CN1C(=O)CC(=O)N(C2=C1C=CC(=C2)Cl)C3=CC=CC=C3
+CH$IUPAC: InChI=1S/C16H13ClN2O2/c1-18-13-8-7-11(17)9-14(13)19(16(21)10-15(18)20)12-5-3-2-4-6-12/h2-9H,10H2,1H3
+CH$LINK: CAS 22316-47-8
+CH$LINK: CHEMSPIDER 2687
+CH$LINK: INCHIKEY CXOXHMZGEKVPMT-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:2789
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.818 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 301.07383
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-0udi-0019000000-b403b88fb28f13ef071e
+PK$NUM_PEAK: 3
+PK$PEAK: m/z int. rel.int.
+  224 3152 12
+  259 34855 132
+  301 263363 999
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01596.txt b/MSSJ/MSBNK-MSSJ-MSJ01596.txt
new file mode 100644
index 00000000000..d71ba1d1ac5
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01596.txt
@@ -0,0 +1,41 @@
+ACCESSION: MSBNK-MSSJ-MSJ01596
+RECORD_TITLE: Clobazam; LC-ESI-QQ; MS2; ESI; POSITIVE; CE 20 V; [M+H]+
+DATE: 2023.03.24
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230324-3.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Clobazam
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C16H13ClN2O2
+CH$EXACT_MASS: 300.06655
+CH$SMILES: CN1C(=O)CC(=O)N(C2=C1C=CC(=C2)Cl)C3=CC=CC=C3
+CH$IUPAC: InChI=1S/C16H13ClN2O2/c1-18-13-8-7-11(17)9-14(13)19(16(21)10-15(18)20)12-5-3-2-4-6-12/h2-9H,10H2,1H3
+CH$LINK: CAS 22316-47-8
+CH$LINK: CHEMSPIDER 2687
+CH$LINK: INCHIKEY CXOXHMZGEKVPMT-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:2789
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.818 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 301.07383
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-0a4i-0091000000-ca820fe771360d1a1573
+PK$NUM_PEAK: 5
+PK$PEAK: m/z int. rel.int.
+  24 1885 10
+  224 6980 38
+  233 2202 12
+  259 183328 999
+  301 31800 173
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01597.txt b/MSSJ/MSBNK-MSSJ-MSJ01597.txt
new file mode 100644
index 00000000000..dc1289f0144
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01597.txt
@@ -0,0 +1,54 @@
+ACCESSION: MSBNK-MSSJ-MSJ01597
+RECORD_TITLE: Clobazam; LC-ESI-QQ; MS2; ESI; POSITIVE; CE 30 V; [M+H]+
+DATE: 2023.03.24
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230324-3.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Clobazam
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C16H13ClN2O2
+CH$EXACT_MASS: 300.06655
+CH$SMILES: CN1C(=O)CC(=O)N(C2=C1C=CC(=C2)Cl)C3=CC=CC=C3
+CH$IUPAC: InChI=1S/C16H13ClN2O2/c1-18-13-8-7-11(17)9-14(13)19(16(21)10-15(18)20)12-5-3-2-4-6-12/h2-9H,10H2,1H3
+CH$LINK: CAS 22316-47-8
+CH$LINK: CHEMSPIDER 2687
+CH$LINK: INCHIKEY CXOXHMZGEKVPMT-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:2789
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.818 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 301.07383
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-0a4i-0290000000-57f9268f15aa967c5273
+PK$NUM_PEAK: 18
+PK$PEAK: m/z int. rel.int.
+  77 1079 14
+  92 753 10
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+  118 1105 15
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+  223 3955 52
+  224 19486 259
+  231 753 10
+  244 1470 20
+  259 75268 999
+  284 1507 20
+  301 1633 22
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01598.txt b/MSSJ/MSBNK-MSSJ-MSJ01598.txt
new file mode 100644
index 00000000000..e9f2ad84eb5
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01598.txt
@@ -0,0 +1,71 @@
+ACCESSION: MSBNK-MSSJ-MSJ01598
+RECORD_TITLE: Clobazam; LC-ESI-QQ; MS2; ESI; POSITIVE; CE 40 V; [M+H]+
+DATE: 2023.03.24
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230324-3.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Clobazam
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C16H13ClN2O2
+CH$EXACT_MASS: 300.06655
+CH$SMILES: CN1C(=O)CC(=O)N(C2=C1C=CC(=C2)Cl)C3=CC=CC=C3
+CH$IUPAC: InChI=1S/C16H13ClN2O2/c1-18-13-8-7-11(17)9-14(13)19(16(21)10-15(18)20)12-5-3-2-4-6-12/h2-9H,10H2,1H3
+CH$LINK: CAS 22316-47-8
+CH$LINK: CHEMSPIDER 2687
+CH$LINK: INCHIKEY CXOXHMZGEKVPMT-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:2789
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.818 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 301.07383
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-05fr-1690000000-1ca7e9916b1d1e281dfe
+PK$NUM_PEAK: 35
+PK$PEAK: m/z int. rel.int.
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+  69 2236 75
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+  90 753 25
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+  114 298 10
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+  148 1507 51
+  153 11513 389
+  155 376 13
+  166 686 23
+  167 1851 62
+  179 586 20
+  181 3678 124
+  182 4891 165
+  183 1439 49
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+  200 2750 93
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+  215 7632 258
+  216 8155 275
+  217 661 22
+  223 9450 319
+  224 29596 999
+  244 4171 141
+  255 376 13
+  259 12275 414
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01599.txt b/MSSJ/MSBNK-MSSJ-MSJ01599.txt
new file mode 100644
index 00000000000..270262d89b9
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01599.txt
@@ -0,0 +1,79 @@
+ACCESSION: MSBNK-MSSJ-MSJ01599
+RECORD_TITLE: Clobazam; LC-ESI-QQ; MS2; ESI; POSITIVE; CE 50 V; [M+H]+
+DATE: 2023.03.24
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230324-3.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Clobazam
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C16H13ClN2O2
+CH$EXACT_MASS: 300.06655
+CH$SMILES: CN1C(=O)CC(=O)N(C2=C1C=CC(=C2)Cl)C3=CC=CC=C3
+CH$IUPAC: InChI=1S/C16H13ClN2O2/c1-18-13-8-7-11(17)9-14(13)19(16(21)10-15(18)20)12-5-3-2-4-6-12/h2-9H,10H2,1H3
+CH$LINK: CAS 22316-47-8
+CH$LINK: CHEMSPIDER 2687
+CH$LINK: INCHIKEY CXOXHMZGEKVPMT-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:2789
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.818 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 301.07383
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-00wa-3940000000-6caa15e5ea0a5b86be19
+PK$NUM_PEAK: 43
+PK$PEAK: m/z int. rel.int.
+  69 376 15
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+  148 376 15
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+  230 753 30
+  231 719 28
+  243 913 36
+  244 753 30
+  259 1545 61
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01600.txt b/MSSJ/MSBNK-MSSJ-MSJ01600.txt
new file mode 100644
index 00000000000..db64605ccc0
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01600.txt
@@ -0,0 +1,39 @@
+ACCESSION: MSBNK-MSSJ-MSJ01600
+RECORD_TITLE: Clobazam; LC-ESI-QQ; MS2; ESI; POSITIVE; CE 10 V; [M+NH4]+
+DATE: 2023.03.24
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230324-3.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Clobazam
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C16H13ClN2O2
+CH$EXACT_MASS: 300.06655
+CH$SMILES: CN1C(=O)CC(=O)N(C2=C1C=CC(=C2)Cl)C3=CC=CC=C3
+CH$IUPAC: InChI=1S/C16H13ClN2O2/c1-18-13-8-7-11(17)9-14(13)19(16(21)10-15(18)20)12-5-3-2-4-6-12/h2-9H,10H2,1H3
+CH$LINK: CAS 22316-47-8
+CH$LINK: CHEMSPIDER 2687
+CH$LINK: INCHIKEY CXOXHMZGEKVPMT-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:2789
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.818 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 318.10092
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+NH4]+
+PK$SPLASH: splash10-0udi-0009000000-e7d24036d150cb9ac6f0
+PK$NUM_PEAK: 3
+PK$PEAK: m/z int. rel.int.
+  259 13757 34
+  301 403023 999
+  318 9750 24
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01601.txt b/MSSJ/MSBNK-MSSJ-MSJ01601.txt
new file mode 100644
index 00000000000..2da43100376
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01601.txt
@@ -0,0 +1,38 @@
+ACCESSION: MSBNK-MSSJ-MSJ01601
+RECORD_TITLE: Clobazam; LC-ESI-QQ; MS2; ESI; POSITIVE; CE 20 V; [M+NH4]+
+DATE: 2023.03.24
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230324-3.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Clobazam
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C16H13ClN2O2
+CH$EXACT_MASS: 300.06655
+CH$SMILES: CN1C(=O)CC(=O)N(C2=C1C=CC(=C2)Cl)C3=CC=CC=C3
+CH$IUPAC: InChI=1S/C16H13ClN2O2/c1-18-13-8-7-11(17)9-14(13)19(16(21)10-15(18)20)12-5-3-2-4-6-12/h2-9H,10H2,1H3
+CH$LINK: CAS 22316-47-8
+CH$LINK: CHEMSPIDER 2687
+CH$LINK: INCHIKEY CXOXHMZGEKVPMT-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:2789
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.818 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 318.10092
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+NH4]+
+PK$SPLASH: splash10-0zfr-0069000000-48d843c8a7dff15f66bb
+PK$NUM_PEAK: 2
+PK$PEAK: m/z int. rel.int.
+  259 138053 752
+  301 183440 999
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01602.txt b/MSSJ/MSBNK-MSSJ-MSJ01602.txt
new file mode 100644
index 00000000000..f1340afa6dc
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01602.txt
@@ -0,0 +1,44 @@
+ACCESSION: MSBNK-MSSJ-MSJ01602
+RECORD_TITLE: Clobazam; LC-ESI-QQ; MS2; ESI; POSITIVE; CE 30 V; [M+NH4]+
+DATE: 2023.03.24
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230324-3.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Clobazam
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C16H13ClN2O2
+CH$EXACT_MASS: 300.06655
+CH$SMILES: CN1C(=O)CC(=O)N(C2=C1C=CC(=C2)Cl)C3=CC=CC=C3
+CH$IUPAC: InChI=1S/C16H13ClN2O2/c1-18-13-8-7-11(17)9-14(13)19(16(21)10-15(18)20)12-5-3-2-4-6-12/h2-9H,10H2,1H3
+CH$LINK: CAS 22316-47-8
+CH$LINK: CHEMSPIDER 2687
+CH$LINK: INCHIKEY CXOXHMZGEKVPMT-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:2789
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.818 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 318.10092
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+NH4]+
+PK$SPLASH: splash10-0a4i-0090000000-cb0620a2194fa7820929
+PK$NUM_PEAK: 8
+PK$PEAK: m/z int. rel.int.
+  105 6010 25
+  153 2775 11
+  216 2771 11
+  218 2547 11
+  224 20599 85
+  259 242234 999
+  300.5 4272 18
+  301.3 7121 29
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01603.txt b/MSSJ/MSBNK-MSSJ-MSJ01603.txt
new file mode 100644
index 00000000000..346abbc25a8
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01603.txt
@@ -0,0 +1,61 @@
+ACCESSION: MSBNK-MSSJ-MSJ01603
+RECORD_TITLE: Clobazam; LC-ESI-QQ; MS2; ESI; POSITIVE; CE 40 V; [M+NH4]+
+DATE: 2023.03.24
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230324-3.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Clobazam
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C16H13ClN2O2
+CH$EXACT_MASS: 300.06655
+CH$SMILES: CN1C(=O)CC(=O)N(C2=C1C=CC(=C2)Cl)C3=CC=CC=C3
+CH$IUPAC: InChI=1S/C16H13ClN2O2/c1-18-13-8-7-11(17)9-14(13)19(16(21)10-15(18)20)12-5-3-2-4-6-12/h2-9H,10H2,1H3
+CH$LINK: CAS 22316-47-8
+CH$LINK: CHEMSPIDER 2687
+CH$LINK: INCHIKEY CXOXHMZGEKVPMT-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:2789
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.818 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 318.10092
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+NH4]+
+PK$SPLASH: splash10-0ab9-0390000000-7ea43e002e204cdb2131
+PK$NUM_PEAK: 25
+PK$PEAK: m/z int. rel.int.
+  44 860 15
+  77 3377 59
+  105 23192 405
+  112 573 10
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+  140 1409 25
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+  218 2467 43
+  222 1097 19
+  224 57194 999
+  244 5032 88
+  257 772 13
+  259 51076 892
+  301 611 11
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01604.txt b/MSSJ/MSBNK-MSSJ-MSJ01604.txt
new file mode 100644
index 00000000000..cda632472b1
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01604.txt
@@ -0,0 +1,81 @@
+ACCESSION: MSBNK-MSSJ-MSJ01604
+RECORD_TITLE: Clobazam; LC-ESI-QQ; MS2; ESI; POSITIVE; CE 50 V; [M+NH4]+
+DATE: 2023.03.24
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230324-3.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Clobazam
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C16H13ClN2O2
+CH$EXACT_MASS: 300.06655
+CH$SMILES: CN1C(=O)CC(=O)N(C2=C1C=CC(=C2)Cl)C3=CC=CC=C3
+CH$IUPAC: InChI=1S/C16H13ClN2O2/c1-18-13-8-7-11(17)9-14(13)19(16(21)10-15(18)20)12-5-3-2-4-6-12/h2-9H,10H2,1H3
+CH$LINK: CAS 22316-47-8
+CH$LINK: CHEMSPIDER 2687
+CH$LINK: INCHIKEY CXOXHMZGEKVPMT-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:2789
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.818 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 318.10092
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+NH4]+
+PK$SPLASH: splash10-00di-2790000000-9d122f28d5d376994d79
+PK$NUM_PEAK: 45
+PK$PEAK: m/z int. rel.int.
+  17 286 11
+  18 348 13
+  51 2642 101
+  58 286 11
+  69 573 22
+  77 19510 745
+  90 1830 70
+  91 1767 67
+  92 771 29
+  103 573 22
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+  117 1977 75
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+  126 1114 43
+  129 1320 50
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+  224 26164 999
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+  247 688 26
+  259 10006 382
+  301 286 11
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01605.txt b/MSSJ/MSBNK-MSSJ-MSJ01605.txt
new file mode 100644
index 00000000000..bde68a693a4
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01605.txt
@@ -0,0 +1,41 @@
+ACCESSION: MSBNK-MSSJ-MSJ01605
+RECORD_TITLE: Chlordiazepoxide; LC-ESI-QQ; MS; ESI; POSITIVE
+DATE: 2023.03.24
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230324-3.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Chlordiazepoxide
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C16H14ClN3O
+CH$EXACT_MASS: 299.08252
+CH$SMILES: CN=C1CN(C(=C2C=C(C=CC2=N1)Cl)C3=CC=CC=C3)O
+CH$IUPAC: InChI=1S/C16H14ClN3O/c1-18-15-10-20(21)16(11-5-3-2-4-6-11)13-9-12(17)7-8-14(13)19-15/h2-9,21H,10H2,1H3
+CH$LINK: CAS 58-25-3
+CH$LINK: CHEMSPIDER 10248513
+CH$LINK: INCHIKEY BUCORZSTKDOEKQ-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:2712
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.393 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+PK$SPLASH: splash10-0udi-0009000000-49b5250e3ad159cce09d
+PK$NUM_PEAK: 8
+PK$PEAK: m/z int. rel.int.
+  223 65922 13
+  282 92859 18
+  283 97619 19
+  300 5236326 999
+  301 918964 175
+  302 1708686 326
+  303 291550 56
+  322 56551 11
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01606.txt b/MSSJ/MSBNK-MSSJ-MSJ01606.txt
new file mode 100644
index 00000000000..898944c107d
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01606.txt
@@ -0,0 +1,43 @@
+ACCESSION: MSBNK-MSSJ-MSJ01606
+RECORD_TITLE: Chlordiazepoxide; LC-ESI-QQ; MS2; ESI; POSITIVE; CE 10 V; [M+H]+
+DATE: 2023.03.24
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230324-3.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Chlordiazepoxide
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C16H14ClN3O
+CH$EXACT_MASS: 299.08252
+CH$SMILES: CN=C1CN(C(=C2C=C(C=CC2=N1)Cl)C3=CC=CC=C3)O
+CH$IUPAC: InChI=1S/C16H14ClN3O/c1-18-15-10-20(21)16(11-5-3-2-4-6-11)13-9-12(17)7-8-14(13)19-15/h2-9,21H,10H2,1H3
+CH$LINK: CAS 58-25-3
+CH$LINK: CHEMSPIDER 10248513
+CH$LINK: INCHIKEY BUCORZSTKDOEKQ-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:2712
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.393 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 300.08981
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-0udi-0039000000-a777caa41c72c645538d
+PK$NUM_PEAK: 7
+PK$PEAK: m/z int. rel.int.
+  227 17593 27
+  241 39378 59
+  255 8622 13
+  269 10809 16
+  282 14063 21
+  283 166936 252
+  300 662207 999
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01607.txt b/MSSJ/MSBNK-MSSJ-MSJ01607.txt
new file mode 100644
index 00000000000..5d5e6a8268c
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01607.txt
@@ -0,0 +1,52 @@
+ACCESSION: MSBNK-MSSJ-MSJ01607
+RECORD_TITLE: Chlordiazepoxide; LC-ESI-QQ; MS2; ESI; POSITIVE; CE 20 V; [M+H]+
+DATE: 2023.03.24
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230324-3.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Chlordiazepoxide
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C16H14ClN3O
+CH$EXACT_MASS: 299.08252
+CH$SMILES: CN=C1CN(C(=C2C=C(C=CC2=N1)Cl)C3=CC=CC=C3)O
+CH$IUPAC: InChI=1S/C16H14ClN3O/c1-18-15-10-20(21)16(11-5-3-2-4-6-11)13-9-12(17)7-8-14(13)19-15/h2-9,21H,10H2,1H3
+CH$LINK: CAS 58-25-3
+CH$LINK: CHEMSPIDER 10248513
+CH$LINK: INCHIKEY BUCORZSTKDOEKQ-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:2712
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.393 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 300.08981
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-0059-0090000000-08949d1e551e8dd8d6bf
+PK$NUM_PEAK: 16
+PK$PEAK: m/z int. rel.int.
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+  242 3375 12
+  255 53022 192
+  266 32463 118
+  269 25078 91
+  282 56429 204
+  283 150376 545
+  300 16273 59
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01608.txt b/MSSJ/MSBNK-MSSJ-MSJ01608.txt
new file mode 100644
index 00000000000..86cca990549
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01608.txt
@@ -0,0 +1,57 @@
+ACCESSION: MSBNK-MSSJ-MSJ01608
+RECORD_TITLE: Chlordiazepoxide; LC-ESI-QQ; MS2; ESI; POSITIVE; CE 30 V; [M+H]+
+DATE: 2023.03.24
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230324-3.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Chlordiazepoxide
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C16H14ClN3O
+CH$EXACT_MASS: 299.08252
+CH$SMILES: CN=C1CN(C(=C2C=C(C=CC2=N1)Cl)C3=CC=CC=C3)O
+CH$IUPAC: InChI=1S/C16H14ClN3O/c1-18-15-10-20(21)16(11-5-3-2-4-6-11)13-9-12(17)7-8-14(13)19-15/h2-9,21H,10H2,1H3
+CH$LINK: CAS 58-25-3
+CH$LINK: CHEMSPIDER 10248513
+CH$LINK: INCHIKEY BUCORZSTKDOEKQ-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:2712
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.393 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 300.08981
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-004i-1190000000-a6ad9c8a705ce6b15a98
+PK$NUM_PEAK: 21
+PK$PEAK: m/z int. rel.int.
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+  255 17804 68
+  256 4730 18
+  266 7923 30
+  267 4303 16
+  269 7555 29
+  282 60469 230
+  283 7532 29
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01609.txt b/MSSJ/MSBNK-MSSJ-MSJ01609.txt
new file mode 100644
index 00000000000..d8b39ce107a
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01609.txt
@@ -0,0 +1,78 @@
+ACCESSION: MSBNK-MSSJ-MSJ01609
+RECORD_TITLE: Chlordiazepoxide; LC-ESI-QQ; MS2; ESI; POSITIVE; CE 40 V; [M+H]+
+DATE: 2023.03.24
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230324-3.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Chlordiazepoxide
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C16H14ClN3O
+CH$EXACT_MASS: 299.08252
+CH$SMILES: CN=C1CN(C(=C2C=C(C=CC2=N1)Cl)C3=CC=CC=C3)O
+CH$IUPAC: InChI=1S/C16H14ClN3O/c1-18-15-10-20(21)16(11-5-3-2-4-6-11)13-9-12(17)7-8-14(13)19-15/h2-9,21H,10H2,1H3
+CH$LINK: CAS 58-25-3
+CH$LINK: CHEMSPIDER 10248513
+CH$LINK: INCHIKEY BUCORZSTKDOEKQ-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:2712
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.393 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 300.08981
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-004i-2390000000-e6833172faf0695e4c2c
+PK$NUM_PEAK: 42
+PK$PEAK: m/z int. rel.int.
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+  255 6434 52
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+  267 5014 41
+  269 6796 55
+  282 13774 112
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01610.txt b/MSSJ/MSBNK-MSSJ-MSJ01610.txt
new file mode 100644
index 00000000000..925303f940d
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01610.txt
@@ -0,0 +1,105 @@
+ACCESSION: MSBNK-MSSJ-MSJ01610
+RECORD_TITLE: Chlordiazepoxide; LC-ESI-QQ; MS2; ESI; POSITIVE; CE 50 V; [M+H]+
+DATE: 2023.03.24
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230324-3.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Chlordiazepoxide
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C16H14ClN3O
+CH$EXACT_MASS: 299.08252
+CH$SMILES: CN=C1CN(C(=C2C=C(C=CC2=N1)Cl)C3=CC=CC=C3)O
+CH$IUPAC: InChI=1S/C16H14ClN3O/c1-18-15-10-20(21)16(11-5-3-2-4-6-11)13-9-12(17)7-8-14(13)19-15/h2-9,21H,10H2,1H3
+CH$LINK: CAS 58-25-3
+CH$LINK: CHEMSPIDER 10248513
+CH$LINK: INCHIKEY BUCORZSTKDOEKQ-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:2712
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.393 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 300.08981
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-0ar9-5960000000-c4edc426c36bb61e2201
+PK$NUM_PEAK: 69
+PK$PEAK: m/z int. rel.int.
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+  267 4280 75
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+  282 1627 29
+  283 638 11
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01611.txt b/MSSJ/MSBNK-MSSJ-MSJ01611.txt
new file mode 100644
index 00000000000..f22b49b8b27
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01611.txt
@@ -0,0 +1,47 @@
+ACCESSION: MSBNK-MSSJ-MSJ01611
+RECORD_TITLE: Chlordiazepoxide; LC-ESI-QQ; MS; ESI; NEGATIVE
+DATE: 2023.03.24
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230324-3.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Chlordiazepoxide
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C16H14ClN3O
+CH$EXACT_MASS: 299.08252
+CH$SMILES: CN=C1CN(C(=C2C=C(C=CC2=N1)Cl)C3=CC=CC=C3)O
+CH$IUPAC: InChI=1S/C16H14ClN3O/c1-18-15-10-20(21)16(11-5-3-2-4-6-11)13-9-12(17)7-8-14(13)19-15/h2-9,21H,10H2,1H3
+CH$LINK: CAS 58-25-3
+CH$LINK: CHEMSPIDER 10248513
+CH$LINK: INCHIKEY BUCORZSTKDOEKQ-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:2712
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.393 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+PK$SPLASH: splash10-0002-0095000000-bee65c22249dafb716ff
+PK$NUM_PEAK: 14
+PK$PEAK: m/z int. rel.int.
+  239 59406 17
+  254 60746 18
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+  336 230824 67
+  337 56629 17
+  338 62051 18
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+  345 62990 18
+  346 89455 26
+  388 69175 20
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01612.txt b/MSSJ/MSBNK-MSSJ-MSJ01612.txt
new file mode 100644
index 00000000000..346503c700f
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01612.txt
@@ -0,0 +1,38 @@
+ACCESSION: MSBNK-MSSJ-MSJ01612
+RECORD_TITLE: Chlordiazepoxide; LC-ESI-QQ; MS2; ESI; NEGATIVE; CE 10 V; [M-H]-
+DATE: 2023.03.24
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230324-3.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Chlordiazepoxide
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C16H14ClN3O
+CH$EXACT_MASS: 299.08252
+CH$SMILES: CN=C1CN(C(=C2C=C(C=CC2=N1)Cl)C3=CC=CC=C3)O
+CH$IUPAC: InChI=1S/C16H14ClN3O/c1-18-15-10-20(21)16(11-5-3-2-4-6-11)13-9-12(17)7-8-14(13)19-15/h2-9,21H,10H2,1H3
+CH$LINK: CAS 58-25-3
+CH$LINK: CHEMSPIDER 10248513
+CH$LINK: INCHIKEY BUCORZSTKDOEKQ-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:2712
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.393 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 298.07525
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+PK$SPLASH: splash10-0002-0090000000-ab6a522ac066b14403b4
+PK$NUM_PEAK: 2
+PK$PEAK: m/z int. rel.int.
+  254 82250 311
+  298 263796 999
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01613.txt b/MSSJ/MSBNK-MSSJ-MSJ01613.txt
new file mode 100644
index 00000000000..b2b3155ffdd
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01613.txt
@@ -0,0 +1,45 @@
+ACCESSION: MSBNK-MSSJ-MSJ01613
+RECORD_TITLE: Chlordiazepoxide; LC-ESI-QQ; MS2; ESI; NEGATIVE; CE 20 V; [M-H]-
+DATE: 2023.03.24
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230324-3.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Chlordiazepoxide
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C16H14ClN3O
+CH$EXACT_MASS: 299.08252
+CH$SMILES: CN=C1CN(C(=C2C=C(C=CC2=N1)Cl)C3=CC=CC=C3)O
+CH$IUPAC: InChI=1S/C16H14ClN3O/c1-18-15-10-20(21)16(11-5-3-2-4-6-11)13-9-12(17)7-8-14(13)19-15/h2-9,21H,10H2,1H3
+CH$LINK: CAS 58-25-3
+CH$LINK: CHEMSPIDER 10248513
+CH$LINK: INCHIKEY BUCORZSTKDOEKQ-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:2712
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.393 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 298.07525
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+PK$SPLASH: splash10-0udi-0090000000-8fe23c4e78a4decf0ad1
+PK$NUM_PEAK: 9
+PK$PEAK: m/z int. rel.int.
+  42 1306 16
+  136 1633 20
+  218 984 12
+  220 1305 16
+  241 3033 36
+  254 83277 999
+  255 1617 19
+  298 7183 86
+  299 1234 15
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01614.txt b/MSSJ/MSBNK-MSSJ-MSJ01614.txt
new file mode 100644
index 00000000000..933d8931182
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01614.txt
@@ -0,0 +1,53 @@
+ACCESSION: MSBNK-MSSJ-MSJ01614
+RECORD_TITLE: Chlordiazepoxide; LC-ESI-QQ; MS2; ESI; NEGATIVE; CE 30 V; [M-H]-
+DATE: 2023.03.24
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230324-3.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Chlordiazepoxide
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C16H14ClN3O
+CH$EXACT_MASS: 299.08252
+CH$SMILES: CN=C1CN(C(=C2C=C(C=CC2=N1)Cl)C3=CC=CC=C3)O
+CH$IUPAC: InChI=1S/C16H14ClN3O/c1-18-15-10-20(21)16(11-5-3-2-4-6-11)13-9-12(17)7-8-14(13)19-15/h2-9,21H,10H2,1H3
+CH$LINK: CAS 58-25-3
+CH$LINK: CHEMSPIDER 10248513
+CH$LINK: INCHIKEY BUCORZSTKDOEKQ-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:2712
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.393 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 298.07525
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+PK$SPLASH: splash10-0udi-0090000000-dceaba74774ccb2c9c31
+PK$NUM_PEAK: 17
+PK$PEAK: m/z int. rel.int.
+  35 1415 64
+  55 326 15
+  65 326 15
+  110 326 15
+  136 326 15
+  163 652 29
+  216 652 29
+  218 2290 103
+  238 3664 165
+  239 791 36
+  240 594 27
+  242 652 29
+  251 1632 73
+  253 22218 999
+  254 3358 151
+  255 652 29
+  298 326 15
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01615.txt b/MSSJ/MSBNK-MSSJ-MSJ01615.txt
new file mode 100644
index 00000000000..74a8227bbd3
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01615.txt
@@ -0,0 +1,50 @@
+ACCESSION: MSBNK-MSSJ-MSJ01615
+RECORD_TITLE: Chlordiazepoxide; LC-ESI-QQ; MS2; ESI; NEGATIVE; CE 40 V; [M-H]-
+DATE: 2023.03.24
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230324-3.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Chlordiazepoxide
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C16H14ClN3O
+CH$EXACT_MASS: 299.08252
+CH$SMILES: CN=C1CN(C(=C2C=C(C=CC2=N1)Cl)C3=CC=CC=C3)O
+CH$IUPAC: InChI=1S/C16H14ClN3O/c1-18-15-10-20(21)16(11-5-3-2-4-6-11)13-9-12(17)7-8-14(13)19-15/h2-9,21H,10H2,1H3
+CH$LINK: CAS 58-25-3
+CH$LINK: CHEMSPIDER 10248513
+CH$LINK: INCHIKEY BUCORZSTKDOEKQ-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:2712
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.393 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 298.07525
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+PK$SPLASH: splash10-0udr-1190000000-43e81a55face1d53e447
+PK$NUM_PEAK: 14
+PK$PEAK: m/z int. rel.int.
+  35 2147 370
+  55 326 56
+  129 652 112
+  145 979 169
+  152 326 56
+  166 652 112
+  205 1306 225
+  217 3128 540
+  224 326 56
+  226 1541 266
+  238 5124 884
+  251 3481 601
+  253 5790 999
+  297 878 151
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01616.txt b/MSSJ/MSBNK-MSSJ-MSJ01616.txt
new file mode 100644
index 00000000000..67ecb84d853
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01616.txt
@@ -0,0 +1,48 @@
+ACCESSION: MSBNK-MSSJ-MSJ01616
+RECORD_TITLE: Chlordiazepoxide; LC-ESI-QQ; MS2; ESI; NEGATIVE; CE 50 V; [M-H]-
+DATE: 2023.03.24
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230324-3.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Chlordiazepoxide
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C16H14ClN3O
+CH$EXACT_MASS: 299.08252
+CH$SMILES: CN=C1CN(C(=C2C=C(C=CC2=N1)Cl)C3=CC=CC=C3)O
+CH$IUPAC: InChI=1S/C16H14ClN3O/c1-18-15-10-20(21)16(11-5-3-2-4-6-11)13-9-12(17)7-8-14(13)19-15/h2-9,21H,10H2,1H3
+CH$LINK: CAS 58-25-3
+CH$LINK: CHEMSPIDER 10248513
+CH$LINK: INCHIKEY BUCORZSTKDOEKQ-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:2712
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.393 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 298.07525
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+PK$SPLASH: splash10-00kr-2090000000-49daf1b0bd1b7c6d8cdf
+PK$NUM_PEAK: 12
+PK$PEAK: m/z int. rel.int.
+  35 2520 401
+  42 1189 189
+  141 326 52
+  145 652 104
+  190 652 104
+  202 652 104
+  215 1501 239
+  217 2969 472
+  226 326 52
+  238 6279 999
+  250 1479 235
+  253 1697 270
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01617.txt b/MSSJ/MSBNK-MSSJ-MSJ01617.txt
new file mode 100644
index 00000000000..0011aa27da9
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01617.txt
@@ -0,0 +1,52 @@
+ACCESSION: MSBNK-MSSJ-MSJ01617
+RECORD_TITLE: Bromazepam; LC-ESI-QQ; MS; ESI; POSITIVE
+DATE: 2023.03.24
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230327-2_Revsd.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Bromazepam
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C14H10BrN3O
+CH$EXACT_MASS: 315.00072
+CH$SMILES: C1C(=O)NC2=C(C=C(C=C2)Br)C(=N1)C3=CC=CC=N3
+CH$IUPAC: InChI=1S/C14H10BrN3O/c15-9-4-5-11-10(7-9)14(17-8-13(19)18-11)12-3-1-2-6-16-12/h1-7H,8H2,(H,18,19)
+CH$LINK: CAS 1812-30-2
+CH$LINK: CHEMSPIDER 2347
+CH$LINK: INCHIKEY VMIYHDSEFNYJSL-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:2441
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.299 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+PK$SPLASH: splash10-014i-0009000000-d286a44252c46475f0ba
+PK$NUM_PEAK: 19
+PK$PEAK: m/z int. rel.int.
+  107.3 8825 14
+  121.3 6875 11
+  123.2 8503 14
+  199.2 6174 10
+  204.1 6887 11
+  214.3 10592 17
+  268.4 7294 12
+  283.2 9122 15
+  316.1 613550 999
+  317.1 67711 110
+  318.1 555806 905
+  319.1 123810 202
+  320.2 7919 13
+  338.1 32590 53
+  340.1 54331 88
+  354.2 15810 26
+  376.3 6749 11
+  423.4 6669 11
+  439.1 6570 11
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01618.txt b/MSSJ/MSBNK-MSSJ-MSJ01618.txt
new file mode 100644
index 00000000000..66528ec3fdb
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01618.txt
@@ -0,0 +1,38 @@
+ACCESSION: MSBNK-MSSJ-MSJ01618
+RECORD_TITLE: Bromazepam; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 10 V; [M+H]+
+DATE: 2023.03.24
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230327-2_Revsd.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Bromazepam
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C14H10BrN3O
+CH$EXACT_MASS: 315.00071
+CH$SMILES: C1C(=O)NC2=C(C=C(C=C2)Br)C(=N1)C3=CC=CC=N3
+CH$IUPAC: InChI=1S/C14H10BrN3O/c15-9-4-5-11-10(7-9)14(17-8-13(19)18-11)12-3-1-2-6-16-12/h1-7H,8H2,(H,18,19)
+CH$LINK: CAS 1812-30-2
+CH$LINK: CHEMSPIDER 2347
+CH$LINK: INCHIKEY VMIYHDSEFNYJSL-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:2441
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.299 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 316.00799
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-014i-0009000000-4ed2c92e6c4f62d2e029
+PK$NUM_PEAK: 1
+PK$PEAK: m/z int. rel.int.
+  316.1 507965 999
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01619.txt b/MSSJ/MSBNK-MSSJ-MSJ01619.txt
new file mode 100644
index 00000000000..b9989b465e0
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01619.txt
@@ -0,0 +1,46 @@
+ACCESSION: MSBNK-MSSJ-MSJ01619
+RECORD_TITLE: Bromazepam; LC-ESI-QQ; MS2; ESI; POSITIVE; CID: CE 20 V; [M+H]+
+DATE: 2023.03.24
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230327-2_Revsd.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Bromazepam
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C14H10BrN3O
+CH$EXACT_MASS: 315.00071
+CH$SMILES: C1C(=O)NC2=C(C=C(C=C2)Br)C(=N1)C3=CC=CC=N3
+CH$IUPAC: InChI=1S/C14H10BrN3O/c15-9-4-5-11-10(7-9)14(17-8-13(19)18-11)12-3-1-2-6-16-12/h1-7H,8H2,(H,18,19)
+CH$LINK: CAS 1812-30-2
+CH$LINK: CHEMSPIDER 2347
+CH$LINK: INCHIKEY VMIYHDSEFNYJSL-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:2441
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.299 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 316.00799
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-014i-0029000000-f0771154a64ee456aa15
+PK$NUM_PEAK: 9
+PK$PEAK: m/z int. rel.int.
+  80.3 2333 12
+  182.2 10061 50
+  184.1 6218 31
+  208.2 4251 21
+  209.2 24650 123
+  260.1 3053 15
+  261.1 20616 103
+  288.1 13054 65
+  316.1 200799 999
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01620.txt b/MSSJ/MSBNK-MSSJ-MSJ01620.txt
new file mode 100644
index 00000000000..2102e9945d2
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01620.txt
@@ -0,0 +1,68 @@
+ACCESSION: MSBNK-MSSJ-MSJ01620
+RECORD_TITLE: Bromazepam; LC-ESI-QQ; MS2; ESI; POSITIVE; CID: CE 30 V; [M+H]+
+DATE: 2023.03.24
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230327-2_Revsd.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Bromazepam
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C14H10BrN3O
+CH$EXACT_MASS: 315.00071
+CH$SMILES: C1C(=O)NC2=C(C=C(C=C2)Br)C(=N1)C3=CC=CC=N3
+CH$IUPAC: InChI=1S/C14H10BrN3O/c15-9-4-5-11-10(7-9)14(17-8-13(19)18-11)12-3-1-2-6-16-12/h1-7H,8H2,(H,18,19)
+CH$LINK: CAS 1812-30-2
+CH$LINK: CHEMSPIDER 2347
+CH$LINK: INCHIKEY VMIYHDSEFNYJSL-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:2441
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.299 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 316.00799
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-053r-0690000000-0c54a4e9a47edec0e54e
+PK$NUM_PEAK: 31
+PK$PEAK: m/z int. rel.int.
+  53.4 611 11
+  78.1 2420 43
+  79.3 611 11
+  80.3 9759 174
+  96.4 611 11
+  104.4 1275 23
+  105.2 2816 50
+  106.1 1580 28
+  118.3 611 11
+  129.3 972 17
+  133.1 2621 47
+  135.2 1655 30
+  159.0 584 10
+  180.3 611 11
+  181.1 5424 97
+  182.2 55973 999
+  184.1 17266 308
+  186.4 611 11
+  191.6 715 13
+  193.1 584 10
+  194.1 1436 26
+  208.2 19230 343
+  209.2 55791 996
+  211.9 611 11
+  236.1 1728 31
+  258.9 2576 46
+  260.1 15792 282
+  261.1 25148 449
+  287.2 1700 30
+  288.2 4604 82
+  316.1 14131 252
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01621.txt b/MSSJ/MSBNK-MSSJ-MSJ01621.txt
new file mode 100644
index 00000000000..e48a295b9da
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01621.txt
@@ -0,0 +1,70 @@
+ACCESSION: MSBNK-MSSJ-MSJ01621
+RECORD_TITLE: Bromazepam; LC-ESI-QQ; MS2; ESI; POSITIVE; CID: CE 40 V; [M+H]+
+DATE: 2023.03.24
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230327-2_Revsd.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Bromazepam
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C14H10BrN3O
+CH$EXACT_MASS: 315.00072
+CH$SMILES: C1C(=O)NC2=C(C=C(C=C2)Br)C(=N1)C3=CC=CC=N3
+CH$IUPAC: InChI=1S/C14H10BrN3O/c15-9-4-5-11-10(7-9)14(17-8-13(19)18-11)12-3-1-2-6-16-12/h1-7H,8H2,(H,18,19)
+CH$LINK: CAS 1812-30-2
+CH$LINK: CHEMSPIDER 2347
+CH$LINK: INCHIKEY VMIYHDSEFNYJSL-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:2441
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.299 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 316.00799
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-053r-0960000000-bffc50ca70b98ebaf78e
+PK$NUM_PEAK: 33
+PK$PEAK: m/z int. rel.int.
+  18.4 1224 19
+  78.3 2693 42
+  80.2 8569 135
+  104.3 5159 81
+  105.1 7475 118
+  107.2 782 12
+  130.2 3352 53
+  131.2 4072 64
+  133.2 953 15
+  154.2 3244 51
+  155.2 1246 20
+  166.3 1836 29
+  167.3 918 14
+  168.2 877 14
+  169.3 1834 29
+  179.3 1480 23
+  180.1 1862 29
+  181.2 16089 253
+  182.2 63488 999
+  184.1 8327 131
+  192.2 5298 83
+  193.2 2176 34
+  194.2 1169 18
+  207.1 5887 93
+  208.2 26965 424
+  209.2 16481 259
+  237.1 1886 30
+  244.0 1224 19
+  245.1 3881 61
+  259.0 11899 187
+  260.0 18875 297
+  261.1 6025 95
+  316.1 904 14
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01622.txt b/MSSJ/MSBNK-MSSJ-MSJ01622.txt
new file mode 100644
index 00000000000..24ca2495bb7
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01622.txt
@@ -0,0 +1,92 @@
+ACCESSION: MSBNK-MSSJ-MSJ01622
+RECORD_TITLE: Bromazepam; LC-ESI-QQ; MS2; ESI; POSITIVE; CID: CE 50 V; [M+H]+
+DATE: 2023.03.24
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230327-2_Revsd.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Bromazepam
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C14H10BrN3O
+CH$EXACT_MASS: 315.00072
+CH$SMILES: C1C(=O)NC2=C(C=C(C=C2)Br)C(=N1)C3=CC=CC=N3
+CH$IUPAC: InChI=1S/C14H10BrN3O/c15-9-4-5-11-10(7-9)14(17-8-13(19)18-11)12-3-1-2-6-16-12/h1-7H,8H2,(H,18,19)
+CH$LINK: CAS 1812-30-2
+CH$LINK: CHEMSPIDER 2347
+CH$LINK: INCHIKEY VMIYHDSEFNYJSL-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:2441
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.299 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 316.00799
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-053r-1940000000-2ea67644da6e65d01cf6
+PK$NUM_PEAK: 55
+PK$PEAK: m/z int. rel.int.
+  27.4 305 14
+  43.4 611 28
+  51.3 305 14
+  53.3 611 28
+  65.4 1034 47
+  76.6 611 28
+  77.3 1499 68
+  78.2 3149 143
+  79.3 4211 191
+  80.3 5884 267
+  90.2 1115 51
+  91.4 573 26
+  103.1 1034 47
+  104.2 8936 406
+  105.1 3688 167
+  106.2 611 28
+  115.2 305 14
+  120.9 611 28
+  127.4 584 27
+  128.1 272 12
+  130.1 10112 459
+  131.2 1939 88
+  140.4 305 14
+  141.1 611 28
+  142.8 611 28
+  153.2 6020 273
+  154.2 9618 437
+  155.1 8205 373
+  157.1 305 14
+  163.9 1839 84
+  166.1 2177 99
+  167.1 2340 106
+  169.1 1946 88
+  179.1 2904 132
+  180.0 2082 95
+  181.2 21906 995
+  182.1 21998 999
+  184.0 1939 88
+  191.9 610 28
+  193.1 1994 91
+  205.8 693 31
+  207.2 10243 465
+  208.3 17071 775
+  209.1 8165 371
+  211.8 611 28
+  217.7 611 28
+  222.0 305 14
+  232.0 742 34
+  236.9 611 28
+  244.7 1100 50
+  259.1 8505 386
+  260.1 5558 252
+  286.3 611 28
+  315.7 1100 50
+  317.7 1224 56
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01623.txt b/MSSJ/MSBNK-MSSJ-MSJ01623.txt
new file mode 100644
index 00000000000..640bc56006c
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01623.txt
@@ -0,0 +1,41 @@
+ACCESSION: MSBNK-MSSJ-MSJ01623
+RECORD_TITLE: Bromazepam; LC-ESI-QQ; MS; ESI; NEGATIVE
+DATE: 2023.03.24
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230327-2_Revsd.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Bromazepam
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C14H10BrN3O
+CH$EXACT_MASS: 315.00071
+CH$SMILES: C1C(=O)NC2=C(C=C(C=C2)Br)C(=N1)C3=CC=CC=N3
+CH$IUPAC: InChI=1S/C14H10BrN3O/c15-9-4-5-11-10(7-9)14(17-8-13(19)18-11)12-3-1-2-6-16-12/h1-7H,8H2,(H,18,19)
+CH$LINK: CAS 1812-30-2
+CH$LINK: CHEMSPIDER 2347
+CH$LINK: INCHIKEY VMIYHDSEFNYJSL-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:2441
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.299 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+PK$SPLASH: splash10-03xr-0009000000-c058e8995b830fb0498e
+PK$NUM_PEAK: 8
+PK$PEAK: m/z int. rel.int.
+  101.0 20173 11
+  286.1 28273 15
+  287.0 24679 13
+  314.0 1880560 999
+  316.0 1569503 834
+  317.1 274944 146
+  318.1 42228 22
+  352.1 25196 13
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01624.txt b/MSSJ/MSBNK-MSSJ-MSJ01624.txt
new file mode 100644
index 00000000000..df96efa06ba
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01624.txt
@@ -0,0 +1,41 @@
+ACCESSION: MSBNK-MSSJ-MSJ01624
+RECORD_TITLE: Bromazepam; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 10 V; [M+H]+
+DATE: 2023.03.24
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230327-2_Revsd.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Bromazepam
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C14H10BrN3O
+CH$EXACT_MASS: 315.00071
+CH$SMILES: C1C(=O)NC2=C(C=C(C=C2)Br)C(=N1)C3=CC=CC=N3
+CH$IUPAC: InChI=1S/C14H10BrN3O/c15-9-4-5-11-10(7-9)14(17-8-13(19)18-11)12-3-1-2-6-16-12/h1-7H,8H2,(H,18,19)
+CH$LINK: CAS 1812-30-2
+CH$LINK: CHEMSPIDER 2347
+CH$LINK: INCHIKEY VMIYHDSEFNYJSL-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:2441
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.299 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 313.99344
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+PK$SPLASH: splash10-03di-0029000000-29a9bbf2db77704d6626
+PK$NUM_PEAK: 4
+PK$PEAK: m/z int. rel.int.
+  271.2 4530 12
+  286.0 96185 246
+  287.0 15131 39
+  314.1 389847 999
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01625.txt b/MSSJ/MSBNK-MSSJ-MSJ01625.txt
new file mode 100644
index 00000000000..fd5bfe5c22f
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01625.txt
@@ -0,0 +1,41 @@
+ACCESSION: MSBNK-MSSJ-MSJ01625
+RECORD_TITLE: Bromazepam; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 20 V; [M-H]-
+DATE: 2023.03.24
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230327-2_Revsd.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Bromazepam
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C14H10BrN3O
+CH$EXACT_MASS: 315.00071
+CH$SMILES: C1C(=O)NC2=C(C=C(C=C2)Br)C(=N1)C3=CC=CC=N3
+CH$IUPAC: InChI=1S/C14H10BrN3O/c15-9-4-5-11-10(7-9)14(17-8-13(19)18-11)12-3-1-2-6-16-12/h1-7H,8H2,(H,18,19)
+CH$LINK: CAS 1812-30-2
+CH$LINK: CHEMSPIDER 2347
+CH$LINK: INCHIKEY VMIYHDSEFNYJSL-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:2441
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.299 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 313.99344
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+PK$SPLASH: splash10-000i-0090000000-27d06f9822584b0a5d90
+PK$NUM_PEAK: 4
+PK$PEAK: m/z int. rel.int.
+  79.0 7787 29
+  286.0 267798 999
+  287.0 24597 92
+  314.1 31886 119
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01626.txt b/MSSJ/MSBNK-MSSJ-MSJ01626.txt
new file mode 100644
index 00000000000..66117e4ac9a
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01626.txt
@@ -0,0 +1,45 @@
+ACCESSION: MSBNK-MSSJ-MSJ01626
+RECORD_TITLE: Bromazepam; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 30 V; [M+H]+
+DATE: 2023.03.24
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230327-2_Revsd.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Bromazepam
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C14H10BrN3O
+CH$EXACT_MASS: 315.00071
+CH$SMILES: C1C(=O)NC2=C(C=C(C=C2)Br)C(=N1)C3=CC=CC=N3
+CH$IUPAC: InChI=1S/C14H10BrN3O/c15-9-4-5-11-10(7-9)14(17-8-13(19)18-11)12-3-1-2-6-16-12/h1-7H,8H2,(H,18,19)
+CH$LINK: CAS 1812-30-2
+CH$LINK: CHEMSPIDER 2347
+CH$LINK: INCHIKEY VMIYHDSEFNYJSL-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:2441
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.299 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 313.99344
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+PK$SPLASH: splash10-002r-4090000000-7c247745f3c72c94c79f
+PK$NUM_PEAK: 8
+PK$PEAK: m/z int. rel.int.
+  79.0 37994 548
+  206.2 1611 23
+  233.1 836 12
+  286.0 69221 999
+  287.1 1252 18
+  296.2 983 14
+  312.0 1312 19
+  314.1 2092 30
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01627.txt b/MSSJ/MSBNK-MSSJ-MSJ01627.txt
new file mode 100644
index 00000000000..8b891b7fe56
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01627.txt
@@ -0,0 +1,44 @@
+ACCESSION: MSBNK-MSSJ-MSJ01627
+RECORD_TITLE: Bromazepam; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 40 V; [M+H]+
+DATE: 2023.03.24
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230327-2_Revsd.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Bromazepam
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C14H10BrN3O
+CH$EXACT_MASS: 315.00071
+CH$SMILES: C1C(=O)NC2=C(C=C(C=C2)Br)C(=N1)C3=CC=CC=N3
+CH$IUPAC: InChI=1S/C14H10BrN3O/c15-9-4-5-11-10(7-9)14(17-8-13(19)18-11)12-3-1-2-6-16-12/h1-7H,8H2,(H,18,19)
+CH$LINK: CAS 1812-30-2
+CH$LINK: CHEMSPIDER 2347
+CH$LINK: INCHIKEY VMIYHDSEFNYJSL-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:2441
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.299 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 313.99344
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+PK$SPLASH: splash10-004i-9020000000-286885e1eada3bfe9f92
+PK$NUM_PEAK: 7
+PK$PEAK: m/z int. rel.int.
+  79.0 45754 999
+  117.1 655 14
+  233.3 636 14
+  283.4 655 14
+  285.9 8457 185
+  286.9 1310 29
+  313.7 1281 28
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01628.txt b/MSSJ/MSBNK-MSSJ-MSJ01628.txt
new file mode 100644
index 00000000000..421adfca2ce
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01628.txt
@@ -0,0 +1,43 @@
+ACCESSION: MSBNK-MSSJ-MSJ01628
+RECORD_TITLE: Bromazepam; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 50 V; [M+H]+
+DATE: 2023.03.24
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230327-2_Revsd.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Bromazepam
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C14H10BrN3O
+CH$EXACT_MASS: 315.00071
+CH$SMILES: C1C(=O)NC2=C(C=C(C=C2)Br)C(=N1)C3=CC=CC=N3
+CH$IUPAC: InChI=1S/C14H10BrN3O/c15-9-4-5-11-10(7-9)14(17-8-13(19)18-11)12-3-1-2-6-16-12/h1-7H,8H2,(H,18,19)
+CH$LINK: CAS 1812-30-2
+CH$LINK: CHEMSPIDER 2347
+CH$LINK: INCHIKEY VMIYHDSEFNYJSL-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:2441
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.299 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 313.99344
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+PK$SPLASH: splash10-004i-9000000000-1461752fe48d115d1f43
+PK$NUM_PEAK: 6
+PK$PEAK: m/z int. rel.int.
+  43 655 17
+  79 39057 999
+  92 655 17
+  233 655 17
+  272 655 17
+  285 2017 52
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01629.txt b/MSSJ/MSBNK-MSSJ-MSJ01629.txt
new file mode 100644
index 00000000000..df3b8418827
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01629.txt
@@ -0,0 +1,47 @@
+ACCESSION: MSBNK-MSSJ-MSJ01629
+RECORD_TITLE: Temazepam; LC-ESI-QQ; MS; ESI; POSITIVE
+DATE: 2023.03.27
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230327-1-1_Revised.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Temazepam
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C16H13ClN2O2
+CH$EXACT_MASS: 300.06655
+CH$SMILES: CN1C2=C(C=C(C=C2)Cl)C(=NC(C1=O)O)C3=CC=CC=C3
+CH$IUPAC: InChI=1S/C16H13ClN2O2/c1-19-13-8-7-11(17)9-12(13)14(18-15(20)16(19)21)10-5-3-2-4-6-10/h2-9,15,20H,1H3
+CH$LINK: CAS 846-50-4
+CH$LINK: CHEMSPIDER 5198
+CH$LINK: INCHIKEY SEQDDYPDSLOBDC-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:5391
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.147 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+PK$SPLASH: splash10-0udi-0009000000-e45421c8efd841551aa7
+PK$NUM_PEAK: 14
+PK$PEAK: m/z int. rel.int.
+  102.1 13300 10
+  223.2 14024 11
+  230.4 22264 17
+  255.3 18976 14
+  301.3 1313869 999
+  302.2 269248 205
+  303.2 512730 390
+  304.3 87902 67
+  307.2 19512 15
+  323.2 97267 74
+  324.3 20088 15
+  325.2 29791 23
+  339.2 51941 39
+  341.2 24247 18
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01630.txt b/MSSJ/MSBNK-MSSJ-MSJ01630.txt
new file mode 100644
index 00000000000..83701f0b179
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01630.txt
@@ -0,0 +1,40 @@
+ACCESSION: MSBNK-MSSJ-MSJ01630
+RECORD_TITLE: Temazepam; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 10 V; [M+H]+
+DATE: 2023.03.27
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230327-1-1_Revised.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Temazepam
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C16H13ClN2O2
+CH$EXACT_MASS: 300.06655
+CH$SMILES: CN1C2=C(C=C(C=C2)Cl)C(=NC(C1=O)O)C3=CC=CC=C3
+CH$IUPAC: InChI=1S/C16H13ClN2O2/c1-19-13-8-7-11(17)9-12(13)14(18-15(20)16(19)21)10-5-3-2-4-6-10/h2-9,15,20H,1H3
+CH$LINK: CAS 846-50-4
+CH$LINK: CHEMSPIDER 5198
+CH$LINK: INCHIKEY SEQDDYPDSLOBDC-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:5391
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.147 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 301.07383
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-0udi-0029000000-f394b4c627cd0cb506f9
+PK$NUM_PEAK: 3
+PK$PEAK: m/z int. rel.int.
+  255.2 70421 79
+  283.1 216633 242
+  301.2 893061 999
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01631.txt b/MSSJ/MSBNK-MSSJ-MSJ01631.txt
new file mode 100644
index 00000000000..66606bae7e0
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01631.txt
@@ -0,0 +1,45 @@
+ACCESSION: MSBNK-MSSJ-MSJ01631
+RECORD_TITLE: Temazepam; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 20 V; [M+H]+
+DATE: 2023.03.27
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230327-1-1_Revised.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Temazepam
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C16H13ClN2O2
+CH$EXACT_MASS: 300.06655
+CH$SMILES: CN1C2=C(C=C(C=C2)Cl)C(=NC(C1=O)O)C3=CC=CC=C3
+CH$IUPAC: InChI=1S/C16H13ClN2O2/c1-19-13-8-7-11(17)9-12(13)14(18-15(20)16(19)21)10-5-3-2-4-6-10/h2-9,15,20H,1H3
+CH$LINK: CAS 846-50-4
+CH$LINK: CHEMSPIDER 5198
+CH$LINK: INCHIKEY SEQDDYPDSLOBDC-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:5391
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.147 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 301.07383
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-0a4i-0090000000-b3e88a3eadd7886e5e80
+PK$NUM_PEAK: 8
+PK$PEAK: m/z int. rel.int.
+  180.1 11056 19
+  193.2 6858 12
+  216.1 5904 10
+  228.1 21423 36
+  245.1 6426 11
+  255.2 590066 999
+  283.1 150235 254
+  301.2 44825 76
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01632.txt b/MSSJ/MSBNK-MSSJ-MSJ01632.txt
new file mode 100644
index 00000000000..af0de9b403d
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01632.txt
@@ -0,0 +1,46 @@
+ACCESSION: MSBNK-MSSJ-MSJ01632
+RECORD_TITLE: Temazepam; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 30 V; [M+H]+
+DATE: 2023.03.27
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230327-1-1_Revised.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Temazepam
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C16H13ClN2O2
+CH$EXACT_MASS: 300.06655
+CH$SMILES: CN1C2=C(C=C(C=C2)Cl)C(=NC(C1=O)O)C3=CC=CC=C3
+CH$IUPAC: InChI=1S/C16H13ClN2O2/c1-19-13-8-7-11(17)9-12(13)14(18-15(20)16(19)21)10-5-3-2-4-6-10/h2-9,15,20H,1H3
+CH$LINK: CAS 846-50-4
+CH$LINK: CHEMSPIDER 5198
+CH$LINK: INCHIKEY SEQDDYPDSLOBDC-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:5391
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.147 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 301.07383
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-0a4i-0190000000-b356891ae0cffff421be
+PK$NUM_PEAK: 9
+PK$PEAK: m/z int. rel.int.
+  125.1 12905 26
+  152.1 7131 14
+  177.1 30622 61
+  180.0 10965 22
+  193.2 40135 80
+  216.1 5988 12
+  228.2 26664 53
+  239.1 6479 13
+  255.2 498989 999
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01633.txt b/MSSJ/MSBNK-MSSJ-MSJ01633.txt
new file mode 100644
index 00000000000..ac36f9801f0
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01633.txt
@@ -0,0 +1,79 @@
+ACCESSION: MSBNK-MSSJ-MSJ01633
+RECORD_TITLE: Temazepam; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 40 V; [M+H]+
+DATE: 2023.03.27
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230327-1-1_Revised.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Temazepam
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C16H13ClN2O2
+CH$EXACT_MASS: 300.06655
+CH$SMILES: CN1C2=C(C=C(C=C2)Cl)C(=NC(C1=O)O)C3=CC=CC=C3
+CH$IUPAC: InChI=1S/C16H13ClN2O2/c1-19-13-8-7-11(17)9-12(13)14(18-15(20)16(19)21)10-5-3-2-4-6-10/h2-9,15,20H,1H3
+CH$LINK: CAS 846-50-4
+CH$LINK: CHEMSPIDER 5198
+CH$LINK: INCHIKEY SEQDDYPDSLOBDC-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:5391
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.147 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 301.07383
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-056r-1950000000-027b5f9fb7fdb943d9e3
+PK$NUM_PEAK: 42
+PK$PEAK: m/z int. rel.int.
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+  242.9 2242 17
+  253.1 3412 25
+  255.1 134227 999
+  257.3 1871 14
+  271.0 1497 11
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01634.txt b/MSSJ/MSBNK-MSSJ-MSJ01634.txt
new file mode 100644
index 00000000000..0ef0209865e
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01634.txt
@@ -0,0 +1,113 @@
+ACCESSION: MSBNK-MSSJ-MSJ01634
+RECORD_TITLE: Temazepam; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 50 V; [M+H]+
+DATE: 2023.03.27
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230327-1-1_Revised.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Temazepam
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C16H13ClN2O2
+CH$EXACT_MASS: 300.06655
+CH$SMILES: CN1C2=C(C=C(C=C2)Cl)C(=NC(C1=O)O)C3=CC=CC=C3
+CH$IUPAC: InChI=1S/C16H13ClN2O2/c1-19-13-8-7-11(17)9-12(13)14(18-15(20)16(19)21)10-5-3-2-4-6-10/h2-9,15,20H,1H3
+CH$LINK: CAS 846-50-4
+CH$LINK: CHEMSPIDER 5198
+CH$LINK: INCHIKEY SEQDDYPDSLOBDC-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:5391
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.147 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 301.07383
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-004r-3920000000-4edda91693e96a68dcbd
+PK$NUM_PEAK: 76
+PK$PEAK: m/z int. rel.int.
+  42.3 652 12
+  51.1 921 17
+  58.2 1306 24
+  63.3 2837 52
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+  205.1 21230 392
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+  208.1 652 12
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+  220.0 652 12
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+  228.9 3508 65
+  239.1 20728 383
+  241.4 652 12
+  243.2 1218 22
+  253.2 2902 54
+  255.0 28740 531
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01635.txt b/MSSJ/MSBNK-MSSJ-MSJ01635.txt
new file mode 100644
index 00000000000..3479d4a8974
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01635.txt
@@ -0,0 +1,39 @@
+ACCESSION: MSBNK-MSSJ-MSJ01635
+RECORD_TITLE: Triazolam; LC-ESI-QQ; MS; ESI; POSITIVE
+DATE: 2023.03.27
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230327-1-1_Revised.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Triazolam
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C17H12Cl2N4
+CH$EXACT_MASS: 342.04389
+CH$SMILES: CC1=NN=C2N1C3=C(C=C(C=C3)Cl)C(=NC2)C4=CC=CC=C4Cl
+CH$IUPAC: InChI=1S/C17H12Cl2N4/c1-10-21-22-16-9-20-17(12-4-2-3-5-14(12)19)13-8-11(18)6-7-15(13)23(10)16/h2-8H,9H2,1H3
+CH$LINK: CAS 28911-01-5
+CH$LINK: CHEMSPIDER 5355
+CH$LINK: INCHIKEY JOFWLTCLBGQGBO-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:5556
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.845 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+PK$SPLASH: splash10-0007-0009000000-36bcceb7dc07ad8a58b1
+PK$NUM_PEAK: 6
+PK$PEAK: m/z int. rel.int.
+  343.2 868279 999
+  344.2 161758 186
+  345.2 532973 613
+  346.2 99137 114
+  347.2 93856 108
+  348.2 18229 21
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01636.txt b/MSSJ/MSBNK-MSSJ-MSJ01636.txt
new file mode 100644
index 00000000000..f13c0211781
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01636.txt
@@ -0,0 +1,38 @@
+ACCESSION: MSBNK-MSSJ-MSJ01636
+RECORD_TITLE: Triazolam; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 10 V; [M+H]+
+DATE: 2023.03.27
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230327-1-1_Revised.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Triazolam
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C17H12Cl2N4
+CH$EXACT_MASS: 342.04389
+CH$SMILES: CC1=NN=C2N1C3=C(C=C(C=C3)Cl)C(=NC2)C4=CC=CC=C4Cl
+CH$IUPAC: InChI=1S/C17H12Cl2N4/c1-10-21-22-16-9-20-17(12-4-2-3-5-14(12)19)13-8-11(18)6-7-15(13)23(10)16/h2-8H,9H2,1H3
+CH$LINK: CAS 28911-01-5
+CH$LINK: CHEMSPIDER 5355
+CH$LINK: INCHIKEY JOFWLTCLBGQGBO-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:5556
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.845 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 343.05116
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-0006-0009000000-11071f146e0dd8f881ba
+PK$NUM_PEAK: 1
+PK$PEAK: m/z int. rel.int.
+  343.2 1498813 999
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01637.txt b/MSSJ/MSBNK-MSSJ-MSJ01637.txt
new file mode 100644
index 00000000000..269cda8fdcf
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01637.txt
@@ -0,0 +1,42 @@
+ACCESSION: MSBNK-MSSJ-MSJ01637
+RECORD_TITLE: Triazolam; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 20 V; [M+H]+
+DATE: 2023.03.27
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230327-1-1_Revised.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Triazolam
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C17H12Cl2N4
+CH$EXACT_MASS: 342.04389
+CH$SMILES: CC1=NN=C2N1C3=C(C=C(C=C3)Cl)C(=NC2)C4=CC=CC=C4Cl
+CH$IUPAC: InChI=1S/C17H12Cl2N4/c1-10-21-22-16-9-20-17(12-4-2-3-5-14(12)19)13-8-11(18)6-7-15(13)23(10)16/h2-8H,9H2,1H3
+CH$LINK: CAS 28911-01-5
+CH$LINK: CHEMSPIDER 5355
+CH$LINK: INCHIKEY JOFWLTCLBGQGBO-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:5556
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.845 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 343.05116
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-0006-0009000000-d76dfe19fcbb93d8eab4
+PK$NUM_PEAK: 5
+PK$PEAK: m/z int. rel.int.
+  165.2 8664 12
+  279.2 7257 10
+  308.2 113961 160
+  315.1 56291 79
+  343.2 712165 999
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01638.txt b/MSSJ/MSBNK-MSSJ-MSJ01638.txt
new file mode 100644
index 00000000000..c69fd9f181f
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01638.txt
@@ -0,0 +1,78 @@
+ACCESSION: MSBNK-MSSJ-MSJ01638
+RECORD_TITLE: Triazolam; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 30 V; [M+H]+
+DATE: 2023.03.27
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230327-1-1_Revised.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Triazolam
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C17H12Cl2N4
+CH$EXACT_MASS: 342.04389
+CH$SMILES: CC1=NN=C2N1C3=C(C=C(C=C3)Cl)C(=NC2)C4=CC=CC=C4Cl
+CH$IUPAC: InChI=1S/C17H12Cl2N4/c1-10-21-22-16-9-20-17(12-4-2-3-5-14(12)19)13-8-11(18)6-7-15(13)23(10)16/h2-8H,9H2,1H3
+CH$LINK: CAS 28911-01-5
+CH$LINK: CHEMSPIDER 5355
+CH$LINK: INCHIKEY JOFWLTCLBGQGBO-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:5556
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.845 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 343.05116
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-066r-0149000000-0c548b08b75185f17a72
+PK$NUM_PEAK: 41
+PK$PEAK: m/z int. rel.int.
+  66.2 13585 67
+  110.9 3565 18
+  115.2 3759 19
+  116.3 2400 12
+  126.2 3514 17
+  129.8 2490 12
+  138.0 23592 116
+  162.0 4674 23
+  162.9 2413 12
+  165.1 31001 153
+  171.2 7868 39
+  203.2 2833 14
+  204.0 12733 63
+  206.0 11507 57
+  211.7 2174 11
+  217.2 2586 13
+  225.1 3297 16
+  232.2 3759 19
+  238.1 18513 91
+  239.1 56611 279
+  240.2 3051 15
+  250.2 8167 40
+  252.1 3328 16
+  253.2 18874 93
+  260.1 3864 19
+  260.9 2099 10
+  265.2 2936 14
+  266.2 5281 26
+  272.2 2230 11
+  273.1 3992 20
+  275.1 13835 68
+  278.1 2179 11
+  279.1 19168 94
+  280.2 9045 45
+  281.1 3764 19
+  285.1 6696 33
+  289.0 4062 20
+  308.2 202941 999
+  313.0 2747 14
+  315.1 172813 851
+  343.1 95295 469
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01639.txt b/MSSJ/MSBNK-MSSJ-MSJ01639.txt
new file mode 100644
index 00000000000..cfe6eb8e473
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01639.txt
@@ -0,0 +1,102 @@
+ACCESSION: MSBNK-MSSJ-MSJ01639
+RECORD_TITLE: Triazolam; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 40 V; [M+H]+
+DATE: 2023.03.27
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230327-1-1_Revised.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Triazolam
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C17H12Cl2N4
+CH$EXACT_MASS: 342.04389
+CH$SMILES: CC1=NN=C2N1C3=C(C=C(C=C3)Cl)C(=NC2)C4=CC=CC=C4Cl
+CH$IUPAC: InChI=1S/C17H12Cl2N4/c1-10-21-22-16-9-20-17(12-4-2-3-5-14(12)19)13-8-11(18)6-7-15(13)23(10)16/h2-8H,9H2,1H3
+CH$LINK: CAS 28911-01-5
+CH$LINK: CHEMSPIDER 5355
+CH$LINK: INCHIKEY JOFWLTCLBGQGBO-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:5556
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.845 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 343.05116
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-000i-0491000000-5d7f0f0a88a1fd17f541
+PK$NUM_PEAK: 65
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+  315.1 38409 228
+  342.3 2916 17
+  343.1 2208 13
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01640.txt b/MSSJ/MSBNK-MSSJ-MSJ01640.txt
new file mode 100644
index 00000000000..55ca21a90fb
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01640.txt
@@ -0,0 +1,115 @@
+ACCESSION: MSBNK-MSSJ-MSJ01640
+RECORD_TITLE: Triazolam; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 50 V; [M+H]+
+DATE: 2023.03.27
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230327-1-1_Revised.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Triazolam
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C17H12Cl2N4
+CH$EXACT_MASS: 342.04389
+CH$SMILES: CC1=NN=C2N1C3=C(C=C(C=C3)Cl)C(=NC2)C4=CC=CC=C4Cl
+CH$IUPAC: InChI=1S/C17H12Cl2N4/c1-10-21-22-16-9-20-17(12-4-2-3-5-14(12)19)13-8-11(18)6-7-15(13)23(10)16/h2-8H,9H2,1H3
+CH$LINK: CAS 28911-01-5
+CH$LINK: CHEMSPIDER 5355
+CH$LINK: INCHIKEY JOFWLTCLBGQGBO-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:5556
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.845 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 343.05116
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-0f79-0690000000-42e9f6bd32488bac86e7
+PK$NUM_PEAK: 78
+PK$PEAK: m/z int. rel.int.
+  39.2 1271 10
+  42.3 8326 66
+  57.2 4904 39
+  66.3 10732 85
+  75.4 4928 39
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+  230.0 1633 13
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+  251.2 1305 10
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+  253.1 8104 64
+  257.9 1566 12
+  260.9 1633 13
+  265.0 1975 16
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+  278.1 3419 27
+  279.1 6450 51
+  280.3 2186 17
+  287.3 2688 21
+  289.1 1559 12
+  307.7 3587 28
+  315.1 9774 78
+  343.1 1451 12
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01641.txt b/MSSJ/MSBNK-MSSJ-MSJ01641.txt
new file mode 100644
index 00000000000..34c4efccea9
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01641.txt
@@ -0,0 +1,39 @@
+ACCESSION: MSBNK-MSSJ-MSJ01641
+RECORD_TITLE: Nitrazepam; LC-ESI-QQ; MS; ESI; POSITIVE
+DATE: 2023.03.27
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230327-1-1_Revised.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Nitrazepam
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C15H11N3O3
+CH$EXACT_MASS: 281.08003
+CH$SMILES: C1C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C(=N1)C3=CC=CC=C3
+CH$IUPAC: InChI=1S/C15H11N3O3/c19-14-9-16-15(10-4-2-1-3-5-10)12-8-11(18(20)21)6-7-13(12)17-14/h1-8H,9H2,(H,17,19)
+CH$LINK: CAS 146-22-5
+CH$LINK: CHEMSPIDER 4350
+CH$LINK: INCHIKEY KJONHKAYOJNZEC-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:4506
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.592 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+PK$SPLASH: splash10-001i-0090000000-70ef02e6ced73c408b8f
+PK$NUM_PEAK: 6
+PK$PEAK: m/z int. rel.int.
+  102.2 11364 10
+  244.3 11124 10
+  282.2 1083660 999
+  283.2 194116 179
+  284.2 29861 28
+  300.4 11003 10
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01642.txt b/MSSJ/MSBNK-MSSJ-MSJ01642.txt
new file mode 100644
index 00000000000..eb6d8033f58
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01642.txt
@@ -0,0 +1,38 @@
+ACCESSION: MSBNK-MSSJ-MSJ01642
+RECORD_TITLE: Nitrazepam; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 10 V; [M+H]+
+DATE: 2023.03.27
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230327-1-1_Revised.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Nitrazepam
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C15H11N3O3
+CH$EXACT_MASS: 281.08003
+CH$SMILES: C1C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C(=N1)C3=CC=CC=C3
+CH$IUPAC: InChI=1S/C15H11N3O3/c19-14-9-16-15(10-4-2-1-3-5-10)12-8-11(18(20)21)6-7-13(12)17-14/h1-8H,9H2,(H,17,19)
+CH$LINK: CAS 146-22-5
+CH$LINK: CHEMSPIDER 4350
+CH$LINK: INCHIKEY KJONHKAYOJNZEC-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:4506
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.592 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 282.08731
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-001i-0090000000-87638264d5a530a03f84
+PK$NUM_PEAK: 1
+PK$PEAK: m/z int. rel.int.
+  282.2 1239156 999
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01643.txt b/MSSJ/MSBNK-MSSJ-MSJ01643.txt
new file mode 100644
index 00000000000..3363f302d32
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01643.txt
@@ -0,0 +1,46 @@
+ACCESSION: MSBNK-MSSJ-MSJ01643
+RECORD_TITLE: Nitrazepam; LC-ESI-QQ; MS2; ESI; POSITIVE; CID: CE 20 V; [M+H]+
+DATE: 2023.03.27
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230327-1-1_Revised.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Nitrazepam
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C15H11N3O3
+CH$EXACT_MASS: 281.08003
+CH$SMILES: C1C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C(=N1)C3=CC=CC=C3
+CH$IUPAC: InChI=1S/C15H11N3O3/c19-14-9-16-15(10-4-2-1-3-5-10)12-8-11(18(20)21)6-7-13(12)17-14/h1-8H,9H2,(H,17,19)
+CH$LINK: CAS 146-22-5
+CH$LINK: CHEMSPIDER 4350
+CH$LINK: INCHIKEY KJONHKAYOJNZEC-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:4506
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.592 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 282.08731
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-001i-0090000000-973da3ac07d7c2b52bc5
+PK$NUM_PEAK: 9
+PK$PEAK: m/z int. rel.int.
+  176.1 6950 12
+  180.2 6694 12
+  207.2 7183 13
+  208.1 7739 14
+  235.2 13528 24
+  236.2 251275 440
+  251.2 7955 14
+  254.2 7760 14
+  282.2 571128 999
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01644.txt b/MSSJ/MSBNK-MSSJ-MSJ01644.txt
new file mode 100644
index 00000000000..e18cd7210f7
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01644.txt
@@ -0,0 +1,61 @@
+ACCESSION: MSBNK-MSSJ-MSJ01644
+RECORD_TITLE: Nitrazepam; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 30 V; [M+H]+
+DATE: 2023.03.27
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230327-1-1_Revised.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Nitrazepam
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C15H11N3O3
+CH$EXACT_MASS: 281.08003
+CH$SMILES: C1C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C(=N1)C3=CC=CC=C3
+CH$IUPAC: InChI=1S/C15H11N3O3/c19-14-9-16-15(10-4-2-1-3-5-10)12-8-11(18(20)21)6-7-13(12)17-14/h1-8H,9H2,(H,17,19)
+CH$LINK: CAS 146-22-5
+CH$LINK: CHEMSPIDER 4350
+CH$LINK: INCHIKEY KJONHKAYOJNZEC-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:4506
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.592 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 282.08731
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-000i-0390000000-69611e0d53eb3cc1ae71
+PK$NUM_PEAK: 24
+PK$PEAK: m/z int. rel.int.
+  91.3 8901 29
+  93.2 6176 20
+  104.2 5790 19
+  105.3 6360 21
+  118.1 3274 11
+  130.2 14826 48
+  133.2 3897 13
+  158.2 5474 18
+  168.3 4471 15
+  176.2 6995 23
+  179.2 6504 21
+  180.2 83897 273
+  191.2 10539 34
+  192.2 3296 11
+  193.1 6355 21
+  195.3 3629 12
+  196.2 6869 22
+  206.1 6611 22
+  207.1 87812 286
+  208.2 23613 77
+  235.2 18392 60
+  236.2 306859 999
+  251.2 5859 19
+  282.1 18540 60
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01645.txt b/MSSJ/MSBNK-MSSJ-MSJ01645.txt
new file mode 100644
index 00000000000..d59c82df5c9
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01645.txt
@@ -0,0 +1,76 @@
+ACCESSION: MSBNK-MSSJ-MSJ01645
+RECORD_TITLE: Nitrazepam; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 40 V; [M+H]+
+DATE: 2023.03.27
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230327-1-1_Revised.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Nitrazepam
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C15H11N3O3
+CH$EXACT_MASS: 281.08003
+CH$SMILES: C1C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C(=N1)C3=CC=CC=C3
+CH$IUPAC: InChI=1S/C15H11N3O3/c19-14-9-16-15(10-4-2-1-3-5-10)12-8-11(18(20)21)6-7-13(12)17-14/h1-8H,9H2,(H,17,19)
+CH$LINK: CAS 146-22-5
+CH$LINK: CHEMSPIDER 4350
+CH$LINK: INCHIKEY KJONHKAYOJNZEC-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:4506
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.592 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 282.08731
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-053r-0940000000-709ae1076e073be3c384
+PK$NUM_PEAK: 39
+PK$PEAK: m/z int. rel.int.
+  77.2 5340 33
+  90.2 3182 19
+  91.2 10324 63
+  93.3 1905 12
+  103.1 5432 33
+  104.2 16706 102
+  105.2 7612 47
+  106.2 2825 17
+  118.4 1709 10
+  129.2 7427 45
+  130.1 20703 127
+  131.1 3541 22
+  133.3 2365 14
+  151.0 3229 20
+  152.1 9010 55
+  153.2 11310 69
+  159.1 3064 19
+  164.1 3959 24
+  165.2 7449 46
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+  167.1 6775 41
+  168.2 6657 41
+  178.0 2225 14
+  179.1 9272 57
+  180.2 163248 999
+  190.2 36043 221
+  191.2 8016 49
+  192.1 9807 60
+  193.2 3306 20
+  194.2 5300 32
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+  206.2 18220 111
+  207.2 89896 550
+  208.2 9282 57
+  217.3 1633 10
+  235.2 13480 82
+  236.2 44539 273
+  250.9 1997 12
+  282.1 2335 14
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01646.txt b/MSSJ/MSBNK-MSSJ-MSJ01646.txt
new file mode 100644
index 00000000000..a7b200d4948
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01646.txt
@@ -0,0 +1,90 @@
+ACCESSION: MSBNK-MSSJ-MSJ01646
+RECORD_TITLE: Nitrazepam; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 50 V; [M+H]+
+DATE: 2023.03.27
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230327-1-1_Revised.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Nitrazepam
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C15H11N3O3
+CH$EXACT_MASS: 281.08003
+CH$SMILES: C1C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C(=N1)C3=CC=CC=C3
+CH$IUPAC: InChI=1S/C15H11N3O3/c19-14-9-16-15(10-4-2-1-3-5-10)12-8-11(18(20)21)6-7-13(12)17-14/h1-8H,9H2,(H,17,19)
+CH$LINK: CAS 146-22-5
+CH$LINK: CHEMSPIDER 4350
+CH$LINK: INCHIKEY KJONHKAYOJNZEC-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:4506
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.592 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 282.08731
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-0f89-1910000000-003dba36ae5bb14b375f
+PK$NUM_PEAK: 53
+PK$PEAK: m/z int. rel.int.
+  65.1 4908 43
+  76.2 3029 26
+  77.2 18157 159
+  78.2 3332 29
+  80.5 1270 11
+  89.2 3016 26
+  90.2 2055 18
+  91.2 7968 70
+  92.1 1699 15
+  102.2 4008 35
+  103.2 14185 124
+  104.2 22886 200
+  105.3 3576 31
+  115.3 3459 30
+  116.3 1453 13
+  117.2 2482 22
+  127.1 2453 21
+  128.3 3800 33
+  129.1 9554 84
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+  151.1 11777 103
+  152.1 31723 277
+  153.2 25908 226
+  154.2 5503 48
+  156.3 1559 14
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+  164.2 5517 48
+  165.2 10268 90
+  166.2 1443 13
+  167.1 5611 49
+  168.1 5064 44
+  176.0 1856 16
+  177.1 3001 26
+  178.2 4940 43
+  180.1 114284 999
+  182.3 1662 15
+  190.2 33291 291
+  191.2 8840 77
+  192.1 7424 65
+  193.3 1706 15
+  194.3 2820 25
+  195.0 1544 13
+  205.3 9505 83
+  206.1 18651 163
+  207.1 36598 320
+  216.9 1934 17
+  218.1 1330 12
+  219.0 1270 11
+  232.3 1330 12
+  236.2 4213 37
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01647.txt b/MSSJ/MSBNK-MSSJ-MSJ01647.txt
new file mode 100644
index 00000000000..44617fec9c9
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01647.txt
@@ -0,0 +1,39 @@
+ACCESSION: MSBNK-MSSJ-MSJ01647
+RECORD_TITLE: Nitrazepam; LC-ESI-QQ; MS; ESI; NEGATIVE
+DATE: 2023.03.27
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230327-1-1_Revised.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Nitrazepam
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C15H11N3O3
+CH$EXACT_MASS: 281.08003
+CH$SMILES: C1C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C(=N1)C3=CC=CC=C3
+CH$IUPAC: InChI=1S/C15H11N3O3/c19-14-9-16-15(10-4-2-1-3-5-10)12-8-11(18(20)21)6-7-13(12)17-14/h1-8H,9H2,(H,17,19)
+CH$LINK: CAS 146-22-5
+CH$LINK: CHEMSPIDER 4350
+CH$LINK: INCHIKEY KJONHKAYOJNZEC-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:4506
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.592 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+PK$SPLASH: splash10-001i-0090000000-b8a70fece9276acb319c
+PK$NUM_PEAK: 6
+PK$PEAK: m/z int. rel.int.
+  252.0 87918 28
+  280.1 3176519 999
+  281.1 510459 161
+  282.1 57303 18
+  316.0 56286 18
+  348.1 49588 16
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01648.txt b/MSSJ/MSBNK-MSSJ-MSJ01648.txt
new file mode 100644
index 00000000000..cd569217a4b
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01648.txt
@@ -0,0 +1,40 @@
+ACCESSION: MSBNK-MSSJ-MSJ01648
+RECORD_TITLE: Nitrazepam; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 10 V; [M-H]-
+DATE: 2023.03.27
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230327-1-1_Revised.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Nitrazepam
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C15H11N3O3
+CH$EXACT_MASS: 281.08003
+CH$SMILES: C1C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C(=N1)C3=CC=CC=C3
+CH$IUPAC: InChI=1S/C15H11N3O3/c19-14-9-16-15(10-4-2-1-3-5-10)12-8-11(18(20)21)6-7-13(12)17-14/h1-8H,9H2,(H,17,19)
+CH$LINK: CAS 146-22-5
+CH$LINK: CHEMSPIDER 4350
+CH$LINK: INCHIKEY KJONHKAYOJNZEC-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:4506
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.592 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 280.07275
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+PK$SPLASH: splash10-001i-0090000000-aaade030a33dd35a742a
+PK$NUM_PEAK: 3
+PK$PEAK: m/z int. rel.int.
+  252.1 1367580 237
+  253.1 194576 34
+  280.1 5771458 999
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01649.txt b/MSSJ/MSBNK-MSSJ-MSJ01649.txt
new file mode 100644
index 00000000000..f700f8d6306
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01649.txt
@@ -0,0 +1,42 @@
+ACCESSION: MSBNK-MSSJ-MSJ01649
+RECORD_TITLE: Nitrazepam; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 20 V; [M-H]-
+DATE: 2023.03.27
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230327-1-1_Revised.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Nitrazepam
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C15H11N3O3
+CH$EXACT_MASS: 281.08003
+CH$SMILES: C1C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C(=N1)C3=CC=CC=C3
+CH$IUPAC: InChI=1S/C15H11N3O3/c19-14-9-16-15(10-4-2-1-3-5-10)12-8-11(18(20)21)6-7-13(12)17-14/h1-8H,9H2,(H,17,19)
+CH$LINK: CAS 146-22-5
+CH$LINK: CHEMSPIDER 4350
+CH$LINK: INCHIKEY KJONHKAYOJNZEC-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:4506
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.592 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 280.07275
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+PK$SPLASH: splash10-0udi-0090000000-949166ffdef8f2554f4b
+PK$NUM_PEAK: 5
+PK$PEAK: m/z int. rel.int.
+  194.1 41123 11
+  222.1 143286 38
+  252.1 3741185 999
+  253.1 326743 87
+  280.1 301039 80
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01650.txt b/MSSJ/MSBNK-MSSJ-MSJ01650.txt
new file mode 100644
index 00000000000..65b65b7fae6
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01650.txt
@@ -0,0 +1,48 @@
+ACCESSION: MSBNK-MSSJ-MSJ01650
+RECORD_TITLE: Nitrazepam; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 30 V; [M-H]-
+DATE: 2023.03.27
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230327-1-1_Revised.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Nitrazepam
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C15H11N3O3
+CH$EXACT_MASS: 281.08003
+CH$SMILES: C1C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C(=N1)C3=CC=CC=C3
+CH$IUPAC: InChI=1S/C15H11N3O3/c19-14-9-16-15(10-4-2-1-3-5-10)12-8-11(18(20)21)6-7-13(12)17-14/h1-8H,9H2,(H,17,19)
+CH$LINK: CAS 146-22-5
+CH$LINK: CHEMSPIDER 4350
+CH$LINK: INCHIKEY KJONHKAYOJNZEC-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:4506
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.592 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 280.07275
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+PK$SPLASH: splash10-0uk9-0190000000-1f94b0a24928a227a917
+PK$NUM_PEAK: 11
+PK$PEAK: m/z int. rel.int.
+  46.2 26201 25
+  166.0 76514 72
+  194.1 303155 283
+  205.1 21154 20
+  206.0 78317 73
+  207.1 15087 14
+  222.1 860767 805
+  223.0 31072 29
+  236.2 15189 14
+  252.1 1068318 999
+  253.1 57367 54
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01651.txt b/MSSJ/MSBNK-MSSJ-MSJ01651.txt
new file mode 100644
index 00000000000..bbbc3b45191
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01651.txt
@@ -0,0 +1,60 @@
+ACCESSION: MSBNK-MSSJ-MSJ01651
+RECORD_TITLE: Nitrazepam; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 40 V; [M-H]-
+DATE: 2023.03.27
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230327-1-1_Revised.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Nitrazepam
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C15H11N3O3
+CH$EXACT_MASS: 281.08003
+CH$SMILES: C1C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C(=N1)C3=CC=CC=C3
+CH$IUPAC: InChI=1S/C15H11N3O3/c19-14-9-16-15(10-4-2-1-3-5-10)12-8-11(18(20)21)6-7-13(12)17-14/h1-8H,9H2,(H,17,19)
+CH$LINK: CAS 146-22-5
+CH$LINK: CHEMSPIDER 4350
+CH$LINK: INCHIKEY KJONHKAYOJNZEC-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:4506
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.592 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 280.07275
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+PK$SPLASH: splash10-00r6-0960000000-2468c1b6aca91c22d78e
+PK$NUM_PEAK: 23
+PK$PEAK: m/z int. rel.int.
+  42.2 10954 34
+  46.1 59339 183
+  101.2 8278 25
+  115.2 5223 16
+  117.2 4668 14
+  139.3 3593 11
+  141.0 8342 26
+  146.0 6390 20
+  152.1 4524 14
+  154.6 5719 18
+  163.9 3554 11
+  166.1 253206 780
+  167.0 3978 12
+  177.1 10007 31
+  194.1 324350 999
+  195.1 11076 34
+  206.0 90842 280
+  207.3 5633 17
+  222.1 287240 885
+  223.0 3502 11
+  231.3 4323 13
+  251.9 90516 279
+  277.4 4371 13
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01652.txt b/MSSJ/MSBNK-MSSJ-MSJ01652.txt
new file mode 100644
index 00000000000..45d7a91d7ee
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01652.txt
@@ -0,0 +1,62 @@
+ACCESSION: MSBNK-MSSJ-MSJ01652
+RECORD_TITLE: Nitrazepam; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID: CE 50 V; [M-H]-
+DATE: 2023.03.27
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230327-1-1_Revised.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Nitrazepam
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C15H11N3O3
+CH$EXACT_MASS: 281.08003
+CH$SMILES: C1C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C(=N1)C3=CC=CC=C3
+CH$IUPAC: InChI=1S/C15H11N3O3/c19-14-9-16-15(10-4-2-1-3-5-10)12-8-11(18(20)21)6-7-13(12)17-14/h1-8H,9H2,(H,17,19)
+CH$LINK: CAS 146-22-5
+CH$LINK: CHEMSPIDER 4350
+CH$LINK: INCHIKEY KJONHKAYOJNZEC-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:4506
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.592 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 280.07275
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+PK$SPLASH: splash10-014i-2910000000-e8de78efaacf42a267e4
+PK$NUM_PEAK: 25
+PK$PEAK: m/z int. rel.int.
+  41.2 7376 31
+  42.1 18829 78
+  46.2 94230 391
+  50.2 2476 10
+  64.0 3543 15
+  90.1 4758 20
+  101.1 32922 137
+  115.1 21786 90
+  117.1 2865 12
+  117.9 3645 15
+  124.8 4805 20
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+  140.7 10098 42
+  164.1 10112 42
+  166.1 240775 999
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+  204.4 3819 16
+  205.9 19354 80
+  207.3 5057 21
+  218.7 3458 14
+  221.9 34374 143
+  251.7 10838 45
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01653.txt b/MSSJ/MSBNK-MSSJ-MSJ01653.txt
new file mode 100644
index 00000000000..2dd835b5c6f
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01653.txt
@@ -0,0 +1,36 @@
+ACCESSION: MSBNK-MSSJ-MSJ01653
+RECORD_TITLE: Nimetazepam; LC-ESI-QQ; MS; ESI; POSITIVE
+DATE: 2023.03.27
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230327-2_Revised.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Nimetazepam
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C16H13N3O3
+CH$EXACT_MASS: 295.09568
+CH$SMILES: CN1C(=O)CN=C(C2=C1C=CC(=C2)[N+](=O)[O-])C3=CC=CC=C3
+CH$IUPAC: InChI=1S/C16H13N3O3/c1-18-14-8-7-12(19(21)22)9-13(14)16(17-10-15(18)20)11-5-3-2-4-6-11/h2-9H,10H2,1H3
+CH$LINK: CAS 2011-67-8
+CH$LINK: CHEMSPIDER 4340
+CH$LINK: INCHIKEY GWUSZQUVEVMBPI-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:4496
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.827 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+PK$SPLASH: splash10-0002-0090000000-6c10cc7ef55f85c4fcf1
+PK$NUM_PEAK: 3
+PK$PEAK: m/z int. rel.int.
+  296.2 1619819 999
+  297.2 309473 191
+  298.2 35201 22
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01654.txt b/MSSJ/MSBNK-MSSJ-MSJ01654.txt
new file mode 100644
index 00000000000..b40640d6711
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01654.txt
@@ -0,0 +1,38 @@
+ACCESSION: MSBNK-MSSJ-MSJ01654
+RECORD_TITLE: Nimetazepam; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 10 V; [M+H]+
+DATE: 2023.03.27
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230327-2_Revised.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Nimetazepam
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C16H13N3O3
+CH$EXACT_MASS: 295.09568
+CH$SMILES: CN1C(=O)CN=C(C2=C1C=CC(=C2)[N+](=O)[O-])C3=CC=CC=C3
+CH$IUPAC: InChI=1S/C16H13N3O3/c1-18-14-8-7-12(19(21)22)9-13(14)16(17-10-15(18)20)11-5-3-2-4-6-11/h2-9H,10H2,1H3
+CH$LINK: CAS 2011-67-8
+CH$LINK: CHEMSPIDER 4340
+CH$LINK: INCHIKEY GWUSZQUVEVMBPI-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:4496
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.827 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 296.102957
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-0002-0090000000-15d53666e1831ea9fc55
+PK$NUM_PEAK: 1
+PK$PEAK: m/z int. rel.int.
+  296.2 1957895 999
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01655.txt b/MSSJ/MSBNK-MSSJ-MSJ01655.txt
new file mode 100644
index 00000000000..1c1a4192be0
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01655.txt
@@ -0,0 +1,45 @@
+ACCESSION: MSBNK-MSSJ-MSJ01655
+RECORD_TITLE: Nimetazepam; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 20 V; [M+H]+
+DATE: 2023.03.27
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230327-2_Revised.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Nimetazepam
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C16H13N3O3
+CH$EXACT_MASS: 295.09568
+CH$SMILES: CN1C(=O)CN=C(C2=C1C=CC(=C2)[N+](=O)[O-])C3=CC=CC=C3
+CH$IUPAC: InChI=1S/C16H13N3O3/c1-18-14-8-7-12(19(21)22)9-13(14)16(17-10-15(18)20)11-5-3-2-4-6-11/h2-9H,10H2,1H3
+CH$LINK: CAS 2011-67-8
+CH$LINK: CHEMSPIDER 4340
+CH$LINK: INCHIKEY GWUSZQUVEVMBPI-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:4496
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.827 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 296.102957
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-0002-0090000000-6e8f4dfded8e7c19a42b
+PK$NUM_PEAK: 8
+PK$PEAK: m/z int. rel.int.
+  91.3 12068 12
+  165.1 14312 14
+  193.2 11933 11
+  222.2 22659 22
+  249.2 13242 13
+  250.2 194701 187
+  268.2 56377 54
+  296.2 1042884 999
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01656.txt b/MSSJ/MSBNK-MSSJ-MSJ01656.txt
new file mode 100644
index 00000000000..660e0d928cc
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01656.txt
@@ -0,0 +1,69 @@
+ACCESSION: MSBNK-MSSJ-MSJ01656
+RECORD_TITLE: Nimetazepam; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 30 V; [M+H]+
+DATE: 2023.03.27
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230327-2_Revised.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Nimetazepam
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C16H13N3O3
+CH$EXACT_MASS: 295.09568
+CH$SMILES: CN1C(=O)CN=C(C2=C1C=CC(=C2)[N+](=O)[O-])C3=CC=CC=C3
+CH$IUPAC: InChI=1S/C16H13N3O3/c1-18-14-8-7-12(19(21)22)9-13(14)16(17-10-15(18)20)11-5-3-2-4-6-11/h2-9H,10H2,1H3
+CH$LINK: CAS 2011-67-8
+CH$LINK: CHEMSPIDER 4340
+CH$LINK: INCHIKEY GWUSZQUVEVMBPI-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:4496
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.827 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 296.102957
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-0udi-0290000000-94af33c6043181d476be
+PK$NUM_PEAK: 32
+PK$PEAK: m/z int. rel.int.
+  91.2 20621 56
+  105.1 13613 37
+  118.3 8112 22
+  119.2 14867 41
+  143.2 6078 17
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+  152.2 7593 21
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+  172.2 6483 18
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+  194.2 21003 57
+  201.2 6096 17
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+  206.2 10099 28
+  207.1 14502 40
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+  220.1 4104 11
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+  239.1 13206 36
+  250.2 365767 999
+  252.1 4991 14
+  265.2 4895 13
+  268.2 16184 44
+  296.2 60613 166
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01657.txt b/MSSJ/MSBNK-MSSJ-MSJ01657.txt
new file mode 100644
index 00000000000..75b00797903
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01657.txt
@@ -0,0 +1,95 @@
+ACCESSION: MSBNK-MSSJ-MSJ01657
+RECORD_TITLE: Nimetazepam; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 40 V; [M+H]+
+DATE: 2023.03.27
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230327-2_Revised.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Nimetazepam
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C16H13N3O3
+CH$EXACT_MASS: 295.09568
+CH$SMILES: CN1C(=O)CN=C(C2=C1C=CC(=C2)[N+](=O)[O-])C3=CC=CC=C3
+CH$IUPAC: InChI=1S/C16H13N3O3/c1-18-14-8-7-12(19(21)22)9-13(14)16(17-10-15(18)20)11-5-3-2-4-6-11/h2-9H,10H2,1H3
+CH$LINK: CAS 2011-67-8
+CH$LINK: CHEMSPIDER 4340
+CH$LINK: INCHIKEY GWUSZQUVEVMBPI-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:4496
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.827 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 296.102957
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-0fkc-0970000000-f7c25396eb2796871622
+PK$NUM_PEAK: 58
+PK$PEAK: m/z int. rel.int.
+  42.2 2989 17
+  58.4 2452 14
+  78.4 2677 15
+  89.1 5372 30
+  90.3 9322 52
+  91.2 23206 130
+  104.2 9687 54
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+  165.1 60668 341
+  166.1 9350 53
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+  181.2 7397 42
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+  190.2 19454 109
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+  192.2 44957 252
+  193.2 38917 219
+  194.2 51643 290
+  195.1 6535 37
+  196.1 2167 12
+  201.1 2896 16
+  204.2 33641 189
+  205.1 15027 84
+  206.2 36665 206
+  207.2 23720 133
+  208.2 1820 10
+  209.2 4808 27
+  219.2 6064 34
+  221.1 177901 999
+  222.2 21918 123
+  237.1 2286 13
+  239.1 2102 12
+  249.1 5301 30
+  250.2 56079 315
+  252.2 1881 11
+  296.2 6235 35
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01658.txt b/MSSJ/MSBNK-MSSJ-MSJ01658.txt
new file mode 100644
index 00000000000..d2b81e98b85
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01658.txt
@@ -0,0 +1,112 @@
+ACCESSION: MSBNK-MSSJ-MSJ01658
+RECORD_TITLE: Nimetazepam; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 50 V; [M+H]+
+DATE: 2023.03.27
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230327-2_Revised.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Nimetazepam
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C16H13N3O3
+CH$EXACT_MASS: 295.09568
+CH$SMILES: CN1C(=O)CN=C(C2=C1C=CC(=C2)[N+](=O)[O-])C3=CC=CC=C3
+CH$IUPAC: InChI=1S/C16H13N3O3/c1-18-14-8-7-12(19(21)22)9-13(14)16(17-10-15(18)20)11-5-3-2-4-6-11/h2-9H,10H2,1H3
+CH$LINK: CAS 2011-67-8
+CH$LINK: CHEMSPIDER 4340
+CH$LINK: INCHIKEY GWUSZQUVEVMBPI-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:4496
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.827 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 296.102957
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-0ldl-1930000000-6c7a261849a685d49738
+PK$NUM_PEAK: 75
+PK$PEAK: m/z int. rel.int.
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+  296.2 1126 13
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01659.txt b/MSSJ/MSBNK-MSSJ-MSJ01659.txt
new file mode 100644
index 00000000000..c8e73991f6f
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01659.txt
@@ -0,0 +1,45 @@
+ACCESSION: MSBNK-MSSJ-MSJ01659
+RECORD_TITLE: Brotizolam; LC-ESI-QQ; MS; ESI; POSITIVE
+DATE: 2023.03.27
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230327-2_Revised.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Brotizolam
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C15H10BrClN4S
+CH$EXACT_MASS: 391.949792
+CH$SMILES: CC1=NN=C2N1C3=C(C=C(S3)Br)C(=NC2)C4=CC=CC=C4Cl
+CH$IUPAC: InChI=1S/C15H10BrClN4S/c1-8-19-20-13-7-18-14(9-4-2-3-5-11(9)17)10-6-12(16)22-15(10)21(8)13/h2-6H,7H2,1H3
+CH$LINK: CAS 57801-81-7
+CH$LINK: CHEMSPIDER 2357
+CH$LINK: INCHIKEY UMSGKTJDUHERQW-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:2451
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.988 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+PK$SPLASH: splash10-0005-0009000000-40f72f4969828c1f0187
+PK$NUM_PEAK: 12
+PK$PEAK: m/z int. rel.int.
+  121.1 7644 13
+  214.2 11884 20
+  228.3 36574 62
+  229.2 6400 11
+  239.3 6671 11
+  393.1 399339 674
+  394.1 89674 151
+  395.1 592235 999
+  396.1 112301 189
+  397.1 168313 284
+  398.1 23826 40
+  399.1 6249 11
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01660.txt b/MSSJ/MSBNK-MSSJ-MSJ01660.txt
new file mode 100644
index 00000000000..9b075c9de02
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01660.txt
@@ -0,0 +1,39 @@
+ACCESSION: MSBNK-MSSJ-MSJ01660
+RECORD_TITLE: Brotizolam; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 10 V; [M+H]+
+DATE: 2023.03.27
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230327-2_Revised.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Brotizolam
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C15H10BrClN4S
+CH$EXACT_MASS: 391.949792
+CH$SMILES: CC1=NN=C2N1C3=C(C=C(S3)Br)C(=NC2)C4=CC=CC=C4Cl
+CH$IUPAC: InChI=1S/C15H10BrClN4S/c1-8-19-20-13-7-18-14(9-4-2-3-5-11(9)17)10-6-12(16)22-15(10)21(8)13/h2-6H,7H2,1H3
+CH$LINK: CAS 57801-81-7
+CH$LINK: CHEMSPIDER 2357
+CH$LINK: INCHIKEY UMSGKTJDUHERQW-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:2451
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.988 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 392.957069
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-0006-0009000000-fdd1598387876c86aaa7
+PK$NUM_PEAK: 2
+PK$PEAK: m/z int. rel.int.
+  314.2 8328 16
+  393.1 523647 999
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01661.txt b/MSSJ/MSBNK-MSSJ-MSJ01661.txt
new file mode 100644
index 00000000000..0a09c1f6bc2
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01661.txt
@@ -0,0 +1,46 @@
+ACCESSION: MSBNK-MSSJ-MSJ01661
+RECORD_TITLE: Brotizolam; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 20 V; [M+H]+
+DATE: 2023.03.27
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230327-2_Revised.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Brotizolam
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C15H10BrClN4S
+CH$EXACT_MASS: 391.949792
+CH$SMILES: CC1=NN=C2N1C3=C(C=C(S3)Br)C(=NC2)C4=CC=CC=C4Cl
+CH$IUPAC: InChI=1S/C15H10BrClN4S/c1-8-19-20-13-7-18-14(9-4-2-3-5-11(9)17)10-6-12(16)22-15(10)21(8)13/h2-6H,7H2,1H3
+CH$LINK: CAS 57801-81-7
+CH$LINK: CHEMSPIDER 2357
+CH$LINK: INCHIKEY UMSGKTJDUHERQW-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:2451
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.988 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 392.957069
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-0006-0009000000-3dfa277099c5bb8160f0
+PK$NUM_PEAK: 9
+PK$PEAK: m/z int. rel.int.
+  188.1 3223 17
+  256.1 2387 12
+  278.2 2674 14
+  279.2 12393 64
+  282.2 2793 14
+  313.0 3484 18
+  314.2 63682 327
+  358.0 3599 18
+  393.1 194371 999
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01662.txt b/MSSJ/MSBNK-MSSJ-MSJ01662.txt
new file mode 100644
index 00000000000..f6f2eae324b
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01662.txt
@@ -0,0 +1,110 @@
+ACCESSION: MSBNK-MSSJ-MSJ01662
+RECORD_TITLE: Brotizolam; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 30 V; [M+H]+
+DATE: 2023.03.27
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230327-2_Revised.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Brotizolam
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C15H10BrClN4S
+CH$EXACT_MASS: 391.949792
+CH$SMILES: CC1=NN=C2N1C3=C(C=C(S3)Br)C(=NC2)C4=CC=CC=C4Cl
+CH$IUPAC: InChI=1S/C15H10BrClN4S/c1-8-19-20-13-7-18-14(9-4-2-3-5-11(9)17)10-6-12(16)22-15(10)21(8)13/h2-6H,7H2,1H3
+CH$LINK: CAS 57801-81-7
+CH$LINK: CHEMSPIDER 2357
+CH$LINK: INCHIKEY UMSGKTJDUHERQW-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:2451
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.988 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 392.957069
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-03fr-0294000000-6ea31abf61b90d4767ac
+PK$NUM_PEAK: 73
+PK$PEAK: m/z int. rel.int.
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+  334.9 706 12
+  357.2 1381 24
+  358.2 643 11
+  365.1 4673 81
+  393.1 12574 217
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01663.txt b/MSSJ/MSBNK-MSSJ-MSJ01663.txt
new file mode 100644
index 00000000000..6c8dcb2e0e5
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01663.txt
@@ -0,0 +1,147 @@
+ACCESSION: MSBNK-MSSJ-MSJ01663
+RECORD_TITLE: Brotizolam; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 40 V; [M+H]+
+DATE: 2023.03.27
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230327-2_Revised.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Brotizolam
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C15H10BrClN4S
+CH$EXACT_MASS: 391.949792
+CH$SMILES: CC1=NN=C2N1C3=C(C=C(S3)Br)C(=NC2)C4=CC=CC=C4Cl
+CH$IUPAC: InChI=1S/C15H10BrClN4S/c1-8-19-20-13-7-18-14(9-4-2-3-5-11(9)17)10-6-12(16)22-15(10)21(8)13/h2-6H,7H2,1H3
+CH$LINK: CAS 57801-81-7
+CH$LINK: CHEMSPIDER 2357
+CH$LINK: INCHIKEY UMSGKTJDUHERQW-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:2451
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.988 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 392.957069
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-03dr-0491000000-081a4784e65b4dcd6bca
+PK$NUM_PEAK: 110
+PK$PEAK: m/z int. rel.int.
+  38.0 706 50
+  50.3 353 25
+  54.3 706 50
+  57.1 1162 81
+  65.0 706 50
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+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01664.txt b/MSSJ/MSBNK-MSSJ-MSJ01664.txt
new file mode 100644
index 00000000000..a40b4fb3183
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01664.txt
@@ -0,0 +1,161 @@
+ACCESSION: MSBNK-MSSJ-MSJ01664
+RECORD_TITLE: Brotizolam; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 50 V; [M+H]+
+DATE: 2023.03.27
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230327-2_Revised.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Brotizolam
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C15H10BrClN4S
+CH$EXACT_MASS: 391.949792
+CH$SMILES: CC1=NN=C2N1C3=C(C=C(S3)Br)C(=NC2)C4=CC=CC=C4Cl
+CH$IUPAC: InChI=1S/C15H10BrClN4S/c1-8-19-20-13-7-18-14(9-4-2-3-5-11(9)17)10-6-12(16)22-15(10)21(8)13/h2-6H,7H2,1H3
+CH$LINK: CAS 57801-81-7
+CH$LINK: CHEMSPIDER 2357
+CH$LINK: INCHIKEY UMSGKTJDUHERQW-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:2451
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.988 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 392.957069
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-0bt9-1890000000-582578dba756bac4e716
+PK$NUM_PEAK: 124
+PK$PEAK: m/z int. rel.int.
+  39.3 674 46
+  42.4 2915 198
+  56.5 612 41
+  57.3 3161 214
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+  302.1 1414 96
+  313.5 528 36
+  322.9 353 24
+  364.8 1287 87
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01665.txt b/MSSJ/MSBNK-MSSJ-MSJ01665.txt
new file mode 100644
index 00000000000..eb3438e2c49
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01665.txt
@@ -0,0 +1,38 @@
+ACCESSION: MSBNK-MSSJ-MSJ01665
+RECORD_TITLE: Brotizolam; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 10 V; [M+H]+ Isotopolog ion
+DATE: 2023.03.27
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230327-2_Revised.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Brotizolam
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C15H10BrClN4S
+CH$EXACT_MASS: 391.949792
+CH$SMILES: CC1=NN=C2N1C3=C(C=C(S3)Br)C(=NC2)C4=CC=CC=C4Cl
+CH$IUPAC: InChI=1S/C15H10BrClN4S/c1-8-19-20-13-7-18-14(9-4-2-3-5-11(9)17)10-6-12(16)22-15(10)21(8)13/h2-6H,7H2,1H3
+CH$LINK: CAS 57801-81-7
+CH$LINK: CHEMSPIDER 2357
+CH$LINK: INCHIKEY UMSGKTJDUHERQW-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:2451
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.988 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 394.955022
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-0002-0009000000-93170ad66a6a1262692c
+PK$NUM_PEAK: 1
+PK$PEAK: m/z int. rel.int.
+  395.1 2444340 999
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01666.txt b/MSSJ/MSBNK-MSSJ-MSJ01666.txt
new file mode 100644
index 00000000000..dc6a6cd3682
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01666.txt
@@ -0,0 +1,50 @@
+ACCESSION: MSBNK-MSSJ-MSJ01666
+RECORD_TITLE: Brotizolam; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 20 V; [M+H]+ Isotopolog ion
+DATE: 2023.03.27
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230327-2_Revised.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Brotizolam
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C15H10BrClN4S
+CH$EXACT_MASS: 391.949792
+CH$SMILES: CC1=NN=C2N1C3=C(C=C(S3)Br)C(=NC2)C4=CC=CC=C4Cl
+CH$IUPAC: InChI=1S/C15H10BrClN4S/c1-8-19-20-13-7-18-14(9-4-2-3-5-11(9)17)10-6-12(16)22-15(10)21(8)13/h2-6H,7H2,1H3
+CH$LINK: CAS 57801-81-7
+CH$LINK: CHEMSPIDER 2357
+CH$LINK: INCHIKEY UMSGKTJDUHERQW-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:2451
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.988 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 394.955022
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-0002-0009000000-fbb3bd0e4988a03ee3cc
+PK$NUM_PEAK: 13
+PK$PEAK: m/z int. rel.int.
+  190.2 7694 12
+  244.3 9490 14
+  246.2 6973 11
+  259.2 6966 11
+  273.2 9104 14
+  278.0 10149 15
+  279.2 37678 57
+  282.2 9480 14
+  314.2 251374 383
+  316.2 97853 149
+  359.1 7694 12
+  367.1 7296 11
+  395.1 655721 999
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01667.txt b/MSSJ/MSBNK-MSSJ-MSJ01667.txt
new file mode 100644
index 00000000000..3aea80f3a3b
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01667.txt
@@ -0,0 +1,116 @@
+ACCESSION: MSBNK-MSSJ-MSJ01667
+RECORD_TITLE: Brotizolam; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 30 V; [M+H]+ Isotopolog ion
+DATE: 2023.03.27
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230327-2_Revised.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Brotizolam
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C15H10BrClN4S
+CH$EXACT_MASS: 391.949792
+CH$SMILES: CC1=NN=C2N1C3=C(C=C(S3)Br)C(=NC2)C4=CC=CC=C4Cl
+CH$IUPAC: InChI=1S/C15H10BrClN4S/c1-8-19-20-13-7-18-14(9-4-2-3-5-11(9)17)10-6-12(16)22-15(10)21(8)13/h2-6H,7H2,1H3
+CH$LINK: CAS 57801-81-7
+CH$LINK: CHEMSPIDER 2357
+CH$LINK: INCHIKEY UMSGKTJDUHERQW-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:2451
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.988 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 394.955022
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-0400-0289000000-cf4eed4dabcb76ab537c
+PK$NUM_PEAK: 79
+PK$PEAK: m/z int. rel.int.
+  42.2 3546 16
+  57.3 9772 43
+  66.3 6816 30
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+  367.1 18722 82
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+  395.1 77581 341
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01668.txt b/MSSJ/MSBNK-MSSJ-MSJ01668.txt
new file mode 100644
index 00000000000..2cc77a5aa0f
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01668.txt
@@ -0,0 +1,198 @@
+ACCESSION: MSBNK-MSSJ-MSJ01668
+RECORD_TITLE: Brotizolam; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 40 V; [M+H]+ Isotopolog ion
+DATE: 2023.03.27
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230327-2_Revised.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Brotizolam
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C15H10BrClN4S
+CH$EXACT_MASS: 391.949792
+CH$SMILES: CC1=NN=C2N1C3=C(C=C(S3)Br)C(=NC2)C4=CC=CC=C4Cl
+CH$IUPAC: InChI=1S/C15H10BrClN4S/c1-8-19-20-13-7-18-14(9-4-2-3-5-11(9)17)10-6-12(16)22-15(10)21(8)13/h2-6H,7H2,1H3
+CH$LINK: CAS 57801-81-7
+CH$LINK: CHEMSPIDER 2357
+CH$LINK: INCHIKEY UMSGKTJDUHERQW-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:2451
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.988 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 394.955022
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-03g1-0391000000-93aa8fe836231e72399b
+PK$NUM_PEAK: 161
+PK$PEAK: m/z int. rel.int.
+  39.3 1255 22
+  42.3 2731 48
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+  395.0 21600 381
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01669.txt b/MSSJ/MSBNK-MSSJ-MSJ01669.txt
new file mode 100644
index 00000000000..b07401c16f7
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01669.txt
@@ -0,0 +1,206 @@
+ACCESSION: MSBNK-MSSJ-MSJ01669
+RECORD_TITLE: Brotizolam; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 50 V; [M+H]+ Isotopolog ion
+DATE: 2023.03.27
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230327-2_Revised.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Brotizolam
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C15H10BrClN4S
+CH$EXACT_MASS: 391.949792
+CH$SMILES: CC1=NN=C2N1C3=C(C=C(S3)Br)C(=NC2)C4=CC=CC=C4Cl
+CH$IUPAC: InChI=1S/C15H10BrClN4S/c1-8-19-20-13-7-18-14(9-4-2-3-5-11(9)17)10-6-12(16)22-15(10)21(8)13/h2-6H,7H2,1H3
+CH$LINK: CAS 57801-81-7
+CH$LINK: CHEMSPIDER 2357
+CH$LINK: INCHIKEY UMSGKTJDUHERQW-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:2451
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.988 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 394.955022
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-08fr-1790000000-15d52570391468b9a823
+PK$NUM_PEAK: 169
+PK$PEAK: m/z int. rel.int.
+  42.3 5624 61
+  52.2 1255 14
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+  392.8 5027 55
+  394.8 2116 23
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01670.txt b/MSSJ/MSBNK-MSSJ-MSJ01670.txt
new file mode 100644
index 00000000000..d42a487e760
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01670.txt
@@ -0,0 +1,37 @@
+ACCESSION: MSBNK-MSSJ-MSJ01670
+RECORD_TITLE: Flunitrazepam; LC-ESI-QQ; MS; ESI; POSITIVE
+DATE: 2023.03.27
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230327-3.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Flunitrazepam
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C16H12FN3O3
+CH$EXACT_MASS: 313.086258
+CH$SMILES: CN1C(=O)CN=C(C2=C1C=CC(=C2)[N+](=O)[O-])C3=CC=CC=C3F
+CH$IUPAC: InChI=1S/C16H12FN3O3/c1-19-14-7-6-10(20(22)23)8-12(14)16(18-9-15(19)21)11-4-2-3-5-13(11)17/h2-8H,9H2,1H3
+CH$LINK: CAS 1622-62-4
+CH$LINK: CHEMSPIDER 3263
+CH$LINK: INCHIKEY PPTYJKAXVCCBDU-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:3380
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.703 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+PK$SPLASH: splash10-03di-0009000000-68a817a14f23bfe234b5
+PK$NUM_PEAK: 4
+PK$PEAK: m/z int. rel.int.
+  314.2 3314358 999
+  315.2 695534 210
+  316.2 94581 29
+  336.2 43798 13
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01671.txt b/MSSJ/MSBNK-MSSJ-MSJ01671.txt
new file mode 100644
index 00000000000..cbb8162b348
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01671.txt
@@ -0,0 +1,38 @@
+ACCESSION: MSBNK-MSSJ-MSJ01671
+RECORD_TITLE: Flunitrazepam; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 10 V; [M+H]+
+DATE: 2023.03.27
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230327-3.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Flunitrazepam
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C16H12FN3O3
+CH$EXACT_MASS: 313.086258
+CH$SMILES: CN1C(=O)CN=C(C2=C1C=CC(=C2)[N+](=O)[O-])C3=CC=CC=C3F
+CH$IUPAC: InChI=1S/C16H12FN3O3/c1-19-14-7-6-10(20(22)23)8-12(14)16(18-9-15(19)21)11-4-2-3-5-13(11)17/h2-8H,9H2,1H3
+CH$LINK: CAS 1622-62-4
+CH$LINK: CHEMSPIDER 3263
+CH$LINK: INCHIKEY PPTYJKAXVCCBDU-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:3380
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.703 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 314.093535
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-03di-0009000000-922a006153447429f819
+PK$NUM_PEAK: 1
+PK$PEAK: m/z int. rel.int.
+  314.2 2752715 999
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01672.txt b/MSSJ/MSBNK-MSSJ-MSJ01672.txt
new file mode 100644
index 00000000000..f485242b504
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01672.txt
@@ -0,0 +1,42 @@
+ACCESSION: MSBNK-MSSJ-MSJ01672
+RECORD_TITLE: Flunitrazepam; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 20 V; [M+H]+
+DATE: 2023.03.27
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230327-3.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Flunitrazepam
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C16H12FN3O3
+CH$EXACT_MASS: 313.086258
+CH$SMILES: CN1C(=O)CN=C(C2=C1C=CC(=C2)[N+](=O)[O-])C3=CC=CC=C3F
+CH$IUPAC: InChI=1S/C16H12FN3O3/c1-19-14-7-6-10(20(22)23)8-12(14)16(18-9-15(19)21)11-4-2-3-5-13(11)17/h2-8H,9H2,1H3
+CH$LINK: CAS 1622-62-4
+CH$LINK: CHEMSPIDER 3263
+CH$LINK: INCHIKEY PPTYJKAXVCCBDU-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:3380
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.703 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 314.093535
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-03di-0039000000-5fddd4fb097e8c40efb7
+PK$NUM_PEAK: 5
+PK$PEAK: m/z int. rel.int.
+  211.1 13804 11
+  240.2 26561 21
+  268.2 376004 296
+  286.2 33741 27
+  314.2 1271112 999
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01673.txt b/MSSJ/MSBNK-MSSJ-MSJ01673.txt
new file mode 100644
index 00000000000..f0c72e19fb9
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01673.txt
@@ -0,0 +1,68 @@
+ACCESSION: MSBNK-MSSJ-MSJ01673
+RECORD_TITLE: Flunitrazepam; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 30 V; [M+H]+
+DATE: 2023.03.27
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230327-3.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Flunitrazepam
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C16H12FN3O3
+CH$EXACT_MASS: 313.086258
+CH$SMILES: CN1C(=O)CN=C(C2=C1C=CC(=C2)[N+](=O)[O-])C3=CC=CC=C3F
+CH$IUPAC: InChI=1S/C16H12FN3O3/c1-19-14-7-6-10(20(22)23)8-12(14)16(18-9-15(19)21)11-4-2-3-5-13(11)17/h2-8H,9H2,1H3
+CH$LINK: CAS 1622-62-4
+CH$LINK: CHEMSPIDER 3263
+CH$LINK: INCHIKEY PPTYJKAXVCCBDU-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:3380
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.703 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 314.093535
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-014i-0190000000-896badd68ec82bf09038
+PK$NUM_PEAK: 31
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+  268.2 596878 999
+  270.2 12423 21
+  286.1 14296 24
+  314.2 109392 183
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01674.txt b/MSSJ/MSBNK-MSSJ-MSJ01674.txt
new file mode 100644
index 00000000000..e13d763cb08
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01674.txt
@@ -0,0 +1,101 @@
+ACCESSION: MSBNK-MSSJ-MSJ01674
+RECORD_TITLE: Flunitrazepam; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 40 V; [M+H]+
+DATE: 2023.03.27
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230327-3.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Flunitrazepam
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C16H12FN3O3
+CH$EXACT_MASS: 313.086258
+CH$SMILES: CN1C(=O)CN=C(C2=C1C=CC(=C2)[N+](=O)[O-])C3=CC=CC=C3F
+CH$IUPAC: InChI=1S/C16H12FN3O3/c1-19-14-7-6-10(20(22)23)8-12(14)16(18-9-15(19)21)11-4-2-3-5-13(11)17/h2-8H,9H2,1H3
+CH$LINK: CAS 1622-62-4
+CH$LINK: CHEMSPIDER 3263
+CH$LINK: INCHIKEY PPTYJKAXVCCBDU-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:3380
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.703 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 314.093535
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-029i-0590000000-442e75a334d0ea3b3680
+PK$NUM_PEAK: 64
+PK$PEAK: m/z int. rel.int.
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+  239.2 208484 999
+  240.2 22981 110
+  268.2 102195 490
+  270.2 4201 20
+  313.9 4419 21
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01675.txt b/MSSJ/MSBNK-MSSJ-MSJ01675.txt
new file mode 100644
index 00000000000..7ee863d3abb
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01675.txt
@@ -0,0 +1,144 @@
+ACCESSION: MSBNK-MSSJ-MSJ01675
+RECORD_TITLE: Flunitrazepam; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 50 V; [M+H]+
+DATE: 2023.03.27
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230327-3.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Flunitrazepam
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C16H12FN3O3
+CH$EXACT_MASS: 313.086258
+CH$SMILES: CN1C(=O)CN=C(C2=C1C=CC(=C2)[N+](=O)[O-])C3=CC=CC=C3F
+CH$IUPAC: InChI=1S/C16H12FN3O3/c1-19-14-7-6-10(20(22)23)8-12(14)16(18-9-15(19)21)11-4-2-3-5-13(11)17/h2-8H,9H2,1H3
+CH$LINK: CAS 1622-62-4
+CH$LINK: CHEMSPIDER 3263
+CH$LINK: INCHIKEY PPTYJKAXVCCBDU-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:3380
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.703 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 314.093535
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-00yi-1960000000-3f28af0857c15b6999df
+PK$NUM_PEAK: 107
+PK$PEAK: m/z int. rel.int.
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+  268.1 21250 216
+  311.1 1059 11
+  313.8 1657 17
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01676.txt b/MSSJ/MSBNK-MSSJ-MSJ01676.txt
new file mode 100644
index 00000000000..39f17135df1
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01676.txt
@@ -0,0 +1,41 @@
+ACCESSION: MSBNK-MSSJ-MSJ01676
+RECORD_TITLE: Flutoprazepam; LC-ESI-QQ; MS; ESI; POSITIVE
+DATE: 2023.03.27
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230327-3.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Flutoprazepam
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C19H16ClFN2O
+CH$EXACT_MASS: 342.093511
+CH$SMILES: C1CC1CN2C(=O)CN=C(C3=C2C=CC(=C3)Cl)C4=CC=CC=C4F
+CH$IUPAC: InChI=1S/C19H16ClFN2O/c20-13-7-8-17-15(9-13)19(14-3-1-2-4-16(14)21)22-10-18(24)23(17)11-12-5-6-12/h1-4,7-9,12H,5-6,10-11H2
+CH$LINK: CAS 25967-29-7
+CH$LINK: CHEMSPIDER 3283
+CH$LINK: INCHIKEY OFVXPDXXVSGEPX-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:3400
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.152 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+PK$SPLASH: splash10-0006-0009000000-b6b844ab89c8ef60bd97
+PK$NUM_PEAK: 8
+PK$PEAK: m/z int. rel.int.
+  149.3 48060 16
+  223.2 43529 15
+  343.2 2922630 999
+  344.2 603971 206
+  345.2 1001295 342
+  346.3 185827 64
+  437.3 148645 51
+  453.3 66198 23
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01677.txt b/MSSJ/MSBNK-MSSJ-MSJ01677.txt
new file mode 100644
index 00000000000..7b67d40edcb
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01677.txt
@@ -0,0 +1,39 @@
+ACCESSION: MSBNK-MSSJ-MSJ01677
+RECORD_TITLE: Flutoprazepam; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 10 V; [M+H]+
+DATE: 2023.03.27
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230327-3.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Flutoprazepam
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C19H16ClFN2O
+CH$EXACT_MASS: 342.093511
+CH$SMILES: C1CC1CN2C(=O)CN=C(C3=C2C=CC(=C3)Cl)C4=CC=CC=C4F
+CH$IUPAC: InChI=1S/C19H16ClFN2O/c20-13-7-8-17-15(9-13)19(14-3-1-2-4-16(14)21)22-10-18(24)23(17)11-12-5-6-12/h1-4,7-9,12H,5-6,10-11H2
+CH$LINK: CAS 25967-29-7
+CH$LINK: CHEMSPIDER 3283
+CH$LINK: INCHIKEY OFVXPDXXVSGEPX-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:3400
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.152 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 343.100788
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-0006-0009000000-efb164cab01ef3eab72c
+PK$NUM_PEAK: 2
+PK$PEAK: m/z int. rel.int.
+  289.2 159521 23
+  343.2 6953432 999
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01678.txt b/MSSJ/MSBNK-MSSJ-MSJ01678.txt
new file mode 100644
index 00000000000..29927ede436
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01678.txt
@@ -0,0 +1,41 @@
+ACCESSION: MSBNK-MSSJ-MSJ01678
+RECORD_TITLE: Flutoprazepam; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 20 V; [M+H]+
+DATE: 2023.03.27
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230327-3.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Flutoprazepam
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C19H16ClFN2O
+CH$EXACT_MASS: 342.093511
+CH$SMILES: C1CC1CN2C(=O)CN=C(C3=C2C=CC(=C3)Cl)C4=CC=CC=C4F
+CH$IUPAC: InChI=1S/C19H16ClFN2O/c20-13-7-8-17-15(9-13)19(14-3-1-2-4-16(14)21)22-10-18(24)23(17)11-12-5-6-12/h1-4,7-9,12H,5-6,10-11H2
+CH$LINK: CAS 25967-29-7
+CH$LINK: CHEMSPIDER 3283
+CH$LINK: INCHIKEY OFVXPDXXVSGEPX-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:3400
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.152 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 343.100788
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-000l-0098000000-30b0b0f6c3c4bb8701eb
+PK$NUM_PEAK: 4
+PK$PEAK: m/z int. rel.int.
+  140.1 24594 15
+  273.2 47139 28
+  289.1 1672115 999
+  343.2 1650922 986
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01679.txt b/MSSJ/MSBNK-MSSJ-MSJ01679.txt
new file mode 100644
index 00000000000..8ef10f95043
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01679.txt
@@ -0,0 +1,58 @@
+ACCESSION: MSBNK-MSSJ-MSJ01679
+RECORD_TITLE: Flutoprazepam; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 30 V; [M+H]+
+DATE: 2023.03.27
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230327-3.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Flutoprazepam
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C19H16ClFN2O
+CH$EXACT_MASS: 342.093511
+CH$SMILES: C1CC1CN2C(=O)CN=C(C3=C2C=CC(=C3)Cl)C4=CC=CC=C4F
+CH$IUPAC: InChI=1S/C19H16ClFN2O/c20-13-7-8-17-15(9-13)19(14-3-1-2-4-16(14)21)22-10-18(24)23(17)11-12-5-6-12/h1-4,7-9,12H,5-6,10-11H2
+CH$LINK: CAS 25967-29-7
+CH$LINK: CHEMSPIDER 3283
+CH$LINK: INCHIKEY OFVXPDXXVSGEPX-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:3400
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.152 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 343.100788
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-000i-0290000000-c477d17b8f800a070767
+PK$NUM_PEAK: 21
+PK$PEAK: m/z int. rel.int.
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+  117.2 17569 12
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+  273.2 52955 37
+  289.1 1429851 999
+  343.2 74775 52
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01680.txt b/MSSJ/MSBNK-MSSJ-MSJ01680.txt
new file mode 100644
index 00000000000..bf69d2da6c2
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01680.txt
@@ -0,0 +1,89 @@
+ACCESSION: MSBNK-MSSJ-MSJ01680
+RECORD_TITLE: Flutoprazepam; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 40 V; [M+H]+
+DATE: 2023.03.27
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230327-3.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Flutoprazepam
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C19H16ClFN2O
+CH$EXACT_MASS: 342.093511
+CH$SMILES: C1CC1CN2C(=O)CN=C(C3=C2C=CC(=C3)Cl)C4=CC=CC=C4F
+CH$IUPAC: InChI=1S/C19H16ClFN2O/c20-13-7-8-17-15(9-13)19(14-3-1-2-4-16(14)21)22-10-18(24)23(17)11-12-5-6-12/h1-4,7-9,12H,5-6,10-11H2
+CH$LINK: CAS 25967-29-7
+CH$LINK: CHEMSPIDER 3283
+CH$LINK: INCHIKEY OFVXPDXXVSGEPX-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:3400
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.152 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 343.100788
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-002f-0980000000-3ae0486ff6d6b778b9d5
+PK$NUM_PEAK: 52
+PK$PEAK: m/z int. rel.int.
+  39.3 9307 16
+  41.3 5976 10
+  55.2 100317 171
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+  255.2 8363 14
+  259.0 32204 55
+  260.2 28711 49
+  261.2 10289 18
+  271.3 8410 14
+  289.1 253666 432
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01681.txt b/MSSJ/MSBNK-MSSJ-MSJ01681.txt
new file mode 100644
index 00000000000..0fca88b07ac
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01681.txt
@@ -0,0 +1,109 @@
+ACCESSION: MSBNK-MSSJ-MSJ01681
+RECORD_TITLE: Flutoprazepam; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 50 V; [M+H]+
+DATE: 2023.03.27
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230327-3.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Flutoprazepam
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C19H16ClFN2O
+CH$EXACT_MASS: 342.093511
+CH$SMILES: C1CC1CN2C(=O)CN=C(C3=C2C=CC(=C3)Cl)C4=CC=CC=C4F
+CH$IUPAC: InChI=1S/C19H16ClFN2O/c20-13-7-8-17-15(9-13)19(14-3-1-2-4-16(14)21)22-10-18(24)23(17)11-12-5-6-12/h1-4,7-9,12H,5-6,10-11H2
+CH$LINK: CAS 25967-29-7
+CH$LINK: CHEMSPIDER 3283
+CH$LINK: INCHIKEY OFVXPDXXVSGEPX-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:3400
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.152 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 343.100788
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-054o-1940000000-b899ac986e03482ef74d
+PK$NUM_PEAK: 72
+PK$PEAK: m/z int. rel.int.
+  29.4 14179 39
+  30.4 4857 14
+  53.3 5817 16
+  55.3 76343 213
+  77.3 56410 157
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+  259.2 30875 86
+  260.3 5075 14
+  270.1 3737 10
+  271.3 6308 18
+  273.2 4512 13
+  288.9 19713 55
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01682.txt b/MSSJ/MSBNK-MSSJ-MSJ01682.txt
new file mode 100644
index 00000000000..051ecf88a8c
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01682.txt
@@ -0,0 +1,38 @@
+ACCESSION: MSBNK-MSSJ-MSJ01682
+RECORD_TITLE: Fludiazepam; LC-ESI-QQ; MS; ESI; POSITIVE
+DATE: 2023.03.27
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230327-3.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Fludiazepam
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C16H12ClFN2O
+CH$EXACT_MASS: 302.062211
+CH$SMILES: CN1C(=O)CN=C(C2=C1C=CC(=C2)Cl)C3=CC=CC=C3F
+CH$IUPAC: InChI=1S/C16H12ClFN2O/c1-20-14-7-6-10(17)8-12(14)16(19-9-15(20)21)11-4-2-3-5-13(11)18/h2-8H,9H2,1H3
+CH$LINK: CAS 3900-31-0
+CH$LINK: CHEMSPIDER 3252
+CH$LINK: INCHIKEY ROYOYTLGDLIGBX-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:3369
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.408 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+PK$SPLASH: splash10-0udi-0009000000-8df301a256c1728acdaa
+PK$NUM_PEAK: 5
+PK$PEAK: m/z int. rel.int.
+  223.2 23310 15
+  303.2 1534038 999
+  304.2 273144 178
+  305.2 529643 345
+  306.2 100358 65
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01683.txt b/MSSJ/MSBNK-MSSJ-MSJ01683.txt
new file mode 100644
index 00000000000..bf4e168c382
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01683.txt
@@ -0,0 +1,38 @@
+ACCESSION: MSBNK-MSSJ-MSJ01683
+RECORD_TITLE: Fludiazepam; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 10 V; [M+H]+
+DATE: 2023.03.27
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230327-3.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Fludiazepam
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C16H12ClFN2O
+CH$EXACT_MASS: 302.062211
+CH$SMILES: CN1C(=O)CN=C(C2=C1C=CC(=C2)Cl)C3=CC=CC=C3F
+CH$IUPAC: InChI=1S/C16H12ClFN2O/c1-20-14-7-6-10(17)8-12(14)16(19-9-15(20)21)11-4-2-3-5-13(11)18/h2-8H,9H2,1H3
+CH$LINK: CAS 3900-31-0
+CH$LINK: CHEMSPIDER 3252
+CH$LINK: INCHIKEY ROYOYTLGDLIGBX-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:3369
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.408 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 303.069488
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-0udi-0009000000-e1c358371276932e4469
+PK$NUM_PEAK: 1
+PK$PEAK: m/z int. rel.int.
+  303.2 3778464 999
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01684.txt b/MSSJ/MSBNK-MSSJ-MSJ01684.txt
new file mode 100644
index 00000000000..1a76febe66a
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01684.txt
@@ -0,0 +1,45 @@
+ACCESSION: MSBNK-MSSJ-MSJ01684
+RECORD_TITLE: Fludiazepam; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 20 V; [M+H]+
+DATE: 2023.03.27
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230327-3.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Fludiazepam
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C16H12ClFN2O
+CH$EXACT_MASS: 302.062211
+CH$SMILES: CN1C(=O)CN=C(C2=C1C=CC(=C2)Cl)C3=CC=CC=C3F
+CH$IUPAC: InChI=1S/C16H12ClFN2O/c1-20-14-7-6-10(17)8-12(14)16(19-9-15(20)21)11-4-2-3-5-13(11)18/h2-8H,9H2,1H3
+CH$LINK: CAS 3900-31-0
+CH$LINK: CHEMSPIDER 3252
+CH$LINK: INCHIKEY ROYOYTLGDLIGBX-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:3369
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.408 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 303.069488
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-0udi-0019000000-c47eab46875fd958b54a
+PK$NUM_PEAK: 8
+PK$PEAK: m/z int. rel.int.
+  123.1 22555 13
+  154.2 83906 47
+  182.1 29294 16
+  211.2 90723 51
+  240.2 54079 30
+  246.2 39874 22
+  275.2 80413 45
+  303.2 1778382 999
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01685.txt b/MSSJ/MSBNK-MSSJ-MSJ01685.txt
new file mode 100644
index 00000000000..b113326e759
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01685.txt
@@ -0,0 +1,92 @@
+ACCESSION: MSBNK-MSSJ-MSJ01685
+RECORD_TITLE: Fludiazepam; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 30 V; [M+H]+
+DATE: 2023.03.27
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230327-3.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Fludiazepam
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C16H12ClFN2O
+CH$EXACT_MASS: 302.062211
+CH$SMILES: CN1C(=O)CN=C(C2=C1C=CC(=C2)Cl)C3=CC=CC=C3F
+CH$IUPAC: InChI=1S/C16H12ClFN2O/c1-20-14-7-6-10(17)8-12(14)16(19-9-15(20)21)11-4-2-3-5-13(11)18/h2-8H,9H2,1H3
+CH$LINK: CAS 3900-31-0
+CH$LINK: CHEMSPIDER 3252
+CH$LINK: INCHIKEY ROYOYTLGDLIGBX-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:3369
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.408 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 303.069488
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-0w29-0692000000-c94b3b5fab0acecdd297
+PK$NUM_PEAK: 55
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+  303.2 211949 699
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01686.txt b/MSSJ/MSBNK-MSSJ-MSJ01686.txt
new file mode 100644
index 00000000000..22cb94b3ce2
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01686.txt
@@ -0,0 +1,113 @@
+ACCESSION: MSBNK-MSSJ-MSJ01686
+RECORD_TITLE: Fludiazepam; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 40 V; [M+H]+
+DATE: 2023.03.27
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230327-3.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Fludiazepam
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C16H12ClFN2O
+CH$EXACT_MASS: 302.062211
+CH$SMILES: CN1C(=O)CN=C(C2=C1C=CC(=C2)Cl)C3=CC=CC=C3F
+CH$IUPAC: InChI=1S/C16H12ClFN2O/c1-20-14-7-6-10(17)8-12(14)16(19-9-15(20)21)11-4-2-3-5-13(11)18/h2-8H,9H2,1H3
+CH$LINK: CAS 3900-31-0
+CH$LINK: CHEMSPIDER 3252
+CH$LINK: INCHIKEY ROYOYTLGDLIGBX-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:3369
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.408 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 303.069488
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-0ik9-1970000000-7dd3586c48f6501ceeb2
+PK$NUM_PEAK: 76
+PK$PEAK: m/z int. rel.int.
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+  275.1 4386 15
+  303.2 8214 29
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01687.txt b/MSSJ/MSBNK-MSSJ-MSJ01687.txt
new file mode 100644
index 00000000000..b8c4b65e3ad
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01687.txt
@@ -0,0 +1,155 @@
+ACCESSION: MSBNK-MSSJ-MSJ01687
+RECORD_TITLE: Fludiazepam; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 50 V; [M+H]+
+DATE: 2023.03.27
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230327-3.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Fludiazepam
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C16H12ClFN2O
+CH$EXACT_MASS: 302.062211
+CH$SMILES: CN1C(=O)CN=C(C2=C1C=CC(=C2)Cl)C3=CC=CC=C3F
+CH$IUPAC: InChI=1S/C16H12ClFN2O/c1-20-14-7-6-10(17)8-12(14)16(19-9-15(20)21)11-4-2-3-5-13(11)18/h2-8H,9H2,1H3
+CH$LINK: CAS 3900-31-0
+CH$LINK: CHEMSPIDER 3252
+CH$LINK: INCHIKEY ROYOYTLGDLIGBX-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:3369
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.408 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 303.069488
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-02wc-3940000000-ecbd457ac8772526a15e
+PK$NUM_PEAK: 118
+PK$PEAK: m/z int. rel.int.
+  30.4 5975 63
+  42.3 3574 38
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+  303.2 2965 31
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01688.txt b/MSSJ/MSBNK-MSSJ-MSJ01688.txt
new file mode 100644
index 00000000000..51cc98e6e09
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01688.txt
@@ -0,0 +1,42 @@
+ACCESSION: MSBNK-MSSJ-MSJ01688
+RECORD_TITLE: Haloxazolam; LC-ESI-QQ; MS; ESI; POSITIVE
+DATE: 2023.03.27
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230327-3.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Haloxazolam
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C17H14BrFN2O2
+CH$EXACT_MASS: 376.022261
+CH$SMILES: C1COC2(N1CC(=O)NC3=C2C=C(C=C3)Br)C4=CC=CC=C4F
+CH$IUPAC: InChI=1S/C17H14BrFN2O2/c18-11-5-6-15-13(9-11)17(12-3-1-2-4-14(12)19)21(7-8-23-17)10-16(22)20-15/h1-6,9H,7-8,10H2,(H,20,22)
+CH$LINK: CAS 59128-97-1
+CH$LINK: CHEMSPIDER 3442
+CH$LINK: INCHIKEY XDKCGKQHVBOOHC-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:3563
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.644 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+PK$SPLASH: splash10-004i-0009000000-c0bd9f6ad324208c0c94
+PK$NUM_PEAK: 9
+PK$PEAK: m/z int. rel.int.
+  249.3 51071 20
+  266.4 26233 10
+  377.2 2538245 999
+  378.2 455779 179
+  379.2 2478225 975
+  380.2 447666 176
+  381.2 48243 19
+  399.1 94675 37
+  401.2 95329 38
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01689.txt b/MSSJ/MSBNK-MSSJ-MSJ01689.txt
new file mode 100644
index 00000000000..881f0f37881
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01689.txt
@@ -0,0 +1,38 @@
+ACCESSION: MSBNK-MSSJ-MSJ01689
+RECORD_TITLE: Haloxazolam; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 10 V; [M+H]+
+DATE: 2023.03.27
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230327-3.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Haloxazolam
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C17H14BrFN2O2
+CH$EXACT_MASS: 376.022261
+CH$SMILES: C1COC2(N1CC(=O)NC3=C2C=C(C=C3)Br)C4=CC=CC=C4F
+CH$IUPAC: InChI=1S/C17H14BrFN2O2/c18-11-5-6-15-13(9-11)17(12-3-1-2-4-14(12)19)21(7-8-23-17)10-16(22)20-15/h1-6,9H,7-8,10H2,(H,20,22)
+CH$LINK: CAS 59128-97-1
+CH$LINK: CHEMSPIDER 3442
+CH$LINK: INCHIKEY XDKCGKQHVBOOHC-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:3563
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.644 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 377.029538
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-004i-0009000000-7bf2dd30da21712601f7
+PK$NUM_PEAK: 1
+PK$PEAK: m/z int. rel.int.
+  377.2 380686 999
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01690.txt b/MSSJ/MSBNK-MSSJ-MSJ01690.txt
new file mode 100644
index 00000000000..1fb92c7641a
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01690.txt
@@ -0,0 +1,44 @@
+ACCESSION: MSBNK-MSSJ-MSJ01690
+RECORD_TITLE: Haloxazolam; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 20 V; [M+H]+
+DATE: 2023.03.27
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230327-3.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Haloxazolam
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C17H14BrFN2O2
+CH$EXACT_MASS: 376.022261
+CH$SMILES: C1COC2(N1CC(=O)NC3=C2C=C(C=C3)Br)C4=CC=CC=C4F
+CH$IUPAC: InChI=1S/C17H14BrFN2O2/c18-11-5-6-15-13(9-11)17(12-3-1-2-4-14(12)19)21(7-8-23-17)10-16(22)20-15/h1-6,9H,7-8,10H2,(H,20,22)
+CH$LINK: CAS 59128-97-1
+CH$LINK: CHEMSPIDER 3442
+CH$LINK: INCHIKEY XDKCGKQHVBOOHC-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:3563
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.644 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 377.029538
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-004i-0009000000-f0b02ef122c48fa19ef4
+PK$NUM_PEAK: 7
+PK$PEAK: m/z int. rel.int.
+  108.9 2831 14
+  124.1 2376 12
+  210.0 3350 17
+  304.1 4392 22
+  333.1 45522 228
+  349.2 2660 13
+  377.2 199773 999
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01691.txt b/MSSJ/MSBNK-MSSJ-MSJ01691.txt
new file mode 100644
index 00000000000..76ab7201dc2
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01691.txt
@@ -0,0 +1,69 @@
+ACCESSION: MSBNK-MSSJ-MSJ01691
+RECORD_TITLE: Haloxazolam; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 30 V; [M+H]+
+DATE: 2023.03.27
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230327-3.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Haloxazolam
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C17H14BrFN2O2
+CH$EXACT_MASS: 376.022261
+CH$SMILES: C1COC2(N1CC(=O)NC3=C2C=C(C=C3)Br)C4=CC=CC=C4F
+CH$IUPAC: InChI=1S/C17H14BrFN2O2/c18-11-5-6-15-13(9-11)17(12-3-1-2-4-14(12)19)21(7-8-23-17)10-16(22)20-15/h1-6,9H,7-8,10H2,(H,20,22)
+CH$LINK: CAS 59128-97-1
+CH$LINK: CHEMSPIDER 3442
+CH$LINK: INCHIKEY XDKCGKQHVBOOHC-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:3563
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.644 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 377.029538
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-003r-0239000000-1fd198b32a1673034768
+PK$NUM_PEAK: 32
+PK$PEAK: m/z int. rel.int.
+  45.3 1412 21
+  56.2 1124 17
+  103.2 941 14
+  109.3 4507 68
+  122.2 899 14
+  123.1 1687 26
+  124.2 3137 48
+  132.9 2729 41
+  134.1 1138 17
+  136.1 941 14
+  158.2 2145 33
+  184.1 9982 151
+  198.0 941 14
+  205.3 941 14
+  206.4 3974 60
+  208.1 941 14
+  209.8 1848 28
+  211.4 899 14
+  226.2 21271 322
+  227.3 3445 52
+  237.2 3268 50
+  257.8 2367 36
+  299.4 2701 41
+  303.0 936 14
+  304.1 9950 151
+  305.1 3738 57
+  306.1 1304 20
+  314.9 1800 27
+  333.1 65895 999
+  349.0 4712 71
+  375.7 941 14
+  377.1 19244 292
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01692.txt b/MSSJ/MSBNK-MSSJ-MSJ01692.txt
new file mode 100644
index 00000000000..3fffb09de23
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01692.txt
@@ -0,0 +1,86 @@
+ACCESSION: MSBNK-MSSJ-MSJ01692
+RECORD_TITLE: Haloxazolam; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 40 V; [M+H]+
+DATE: 2023.03.27
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230327-3.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Haloxazolam
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C17H14BrFN2O2
+CH$EXACT_MASS: 376.022261
+CH$SMILES: C1COC2(N1CC(=O)NC3=C2C=C(C=C3)Br)C4=CC=CC=C4F
+CH$IUPAC: InChI=1S/C17H14BrFN2O2/c18-11-5-6-15-13(9-11)17(12-3-1-2-4-14(12)19)21(7-8-23-17)10-16(22)20-15/h1-6,9H,7-8,10H2,(H,20,22)
+CH$LINK: CAS 59128-97-1
+CH$LINK: CHEMSPIDER 3442
+CH$LINK: INCHIKEY XDKCGKQHVBOOHC-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:3563
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.644 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 377.029538
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-053r-0973000000-4b7dfdbfff75589e4ea3
+PK$NUM_PEAK: 49
+PK$PEAK: m/z int. rel.int.
+  44.5 941 33
+  45.3 941 33
+  56.1 1410 49
+  104.2 3687 128
+  105.3 7035 245
+  109.2 9310 324
+  117.3 470 16
+  121.9 913 32
+  123.3 1347 47
+  124.1 3587 125
+  130.2 6607 230
+  133.1 3191 111
+  134.3 2698 94
+  135.4 1854 64
+  157.9 3771 131
+  162.2 2825 98
+  167.1 470 16
+  169.9 1800 63
+  179.2 3010 105
+  184.0 28718 999
+  189.9 470 16
+  194.1 753 26
+  197.3 3516 122
+  198.1 470 16
+  205.0 1413 49
+  206.1 5761 200
+  208.0 470 16
+  209.1 8215 286
+  210.1 11980 417
+  211.1 2574 90
+  216.3 470 16
+  225.2 4651 162
+  226.2 22604 786
+  235.1 1841 64
+  236.0 2144 75
+  236.8 704 24
+  258.3 6511 226
+  261.1 2251 78
+  271.9 1885 66
+  278.2 1885 66
+  289.1 941 33
+  303.2 6948 242
+  304.1 2153 75
+  305.3 1885 66
+  312.2 1885 66
+  313.1 941 33
+  317.4 1885 66
+  333.1 18916 658
+  377.5 1266 44
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01693.txt b/MSSJ/MSBNK-MSSJ-MSJ01693.txt
new file mode 100644
index 00000000000..32d8ad42dc2
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01693.txt
@@ -0,0 +1,85 @@
+ACCESSION: MSBNK-MSSJ-MSJ01693
+RECORD_TITLE: Haloxazolam; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 50 V; [M+H]+
+DATE: 2023.03.27
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230327-3.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Haloxazolam
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C17H14BrFN2O2
+CH$EXACT_MASS: 376.022261
+CH$SMILES: C1COC2(N1CC(=O)NC3=C2C=C(C=C3)Br)C4=CC=CC=C4F
+CH$IUPAC: InChI=1S/C17H14BrFN2O2/c18-11-5-6-15-13(9-11)17(12-3-1-2-4-14(12)19)21(7-8-23-17)10-16(22)20-15/h1-6,9H,7-8,10H2,(H,20,22)
+CH$LINK: CAS 59128-97-1
+CH$LINK: CHEMSPIDER 3442
+CH$LINK: INCHIKEY XDKCGKQHVBOOHC-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:3563
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.644 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 377.029538
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-057i-0951000000-60d448725cbde0e993c7
+PK$NUM_PEAK: 48
+PK$PEAK: m/z int. rel.int.
+  29.5 941 55
+  45.0 1435 84
+  56.0 470 28
+  78.5 276 16
+  83.2 1349 79
+  93.2 941 55
+  104.1 3982 233
+  105.1 7307 428
+  109.0 5682 333
+  122.2 3136 184
+  123.0 1989 117
+  124.0 2408 141
+  129.4 1518 89
+  130.2 5198 305
+  133.1 1890 111
+  134.1 5220 306
+  135.2 941 55
+  152.1 2785 163
+  155.0 2408 141
+  167.6 470 28
+  172.1 376 22
+  179.2 12785 749
+  180.3 938 55
+  181.0 899 53
+  182.1 3695 217
+  184.1 17046 999
+  190.1 899 53
+  197.1 449 26
+  197.9 3331 195
+  199.1 1349 79
+  205.2 5214 306
+  206.1 5775 338
+  208.1 3301 193
+  209.2 2612 153
+  210.1 4035 236
+  225.1 6064 355
+  226.2 8533 500
+  227.2 3006 176
+  236.1 1266 74
+  250.4 941 55
+  258.1 4828 283
+  276.1 1389 81
+  277.8 1692 99
+  284.9 941 55
+  303.2 8722 511
+  304.1 470 28
+  332.5 4079 239
+  376.9 470 28
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01694.txt b/MSSJ/MSBNK-MSSJ-MSJ01694.txt
new file mode 100644
index 00000000000..e69118fece8
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01694.txt
@@ -0,0 +1,52 @@
+ACCESSION: MSBNK-MSSJ-MSJ01694
+RECORD_TITLE: Haloxazolam; LC-ESI-QQ; MS; ESI; NEGATIVE
+DATE: 2023.03.27
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230327-3.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Haloxazolam
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C17H14BrFN2O2
+CH$EXACT_MASS: 376.022261
+CH$SMILES: C1COC2(N1CC(=O)NC3=C2C=C(C=C3)Br)C4=CC=CC=C4F
+CH$IUPAC: InChI=1S/C17H14BrFN2O2/c18-11-5-6-15-13(9-11)17(12-3-1-2-4-14(12)19)21(7-8-23-17)10-16(22)20-15/h1-6,9H,7-8,10H2,(H,20,22)
+CH$LINK: CAS 59128-97-1
+CH$LINK: CHEMSPIDER 3442
+CH$LINK: INCHIKEY XDKCGKQHVBOOHC-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:3563
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.644 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+PK$SPLASH: splash10-004i-0009000000-1c192f75d6ac0e81f740
+PK$NUM_PEAK: 19
+PK$PEAK: m/z int. rel.int.
+  100.9 34152 11
+  272.0 132602 43
+  274.0 125974 41
+  325.0 134853 44
+  327.0 111460 36
+  345.1 83171 27
+  347.1 88241 29
+  375.1 3081312 999
+  377.1 2758175 894
+  378.1 508025 165
+  379.1 53419 17
+  393.1 37817 12
+  411.1 48432 16
+  413.0 64273 21
+  415.0 31336 10
+  421.1 50136 16
+  423.1 40663 13
+  446.1 134101 43
+  448.1 151634 49
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01695.txt b/MSSJ/MSBNK-MSSJ-MSJ01695.txt
new file mode 100644
index 00000000000..edf945e92f9
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01695.txt
@@ -0,0 +1,42 @@
+ACCESSION: MSBNK-MSSJ-MSJ01695
+RECORD_TITLE: Haloxazolam; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 10 V; [M+H]+
+DATE: 2023.03.27
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230327-3.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Haloxazolam
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C17H14BrFN2O2
+CH$EXACT_MASS: 376.022261
+CH$SMILES: C1COC2(N1CC(=O)NC3=C2C=C(C=C3)Br)C4=CC=CC=C4F
+CH$IUPAC: InChI=1S/C17H14BrFN2O2/c18-11-5-6-15-13(9-11)17(12-3-1-2-4-14(12)19)21(7-8-23-17)10-16(22)20-15/h1-6,9H,7-8,10H2,(H,20,22)
+CH$LINK: CAS 59128-97-1
+CH$LINK: CHEMSPIDER 3442
+CH$LINK: INCHIKEY XDKCGKQHVBOOHC-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:3563
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.644 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 375.014984
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+PK$SPLASH: splash10-004i-0009000000-7ea4218589f1540f9342
+PK$NUM_PEAK: 5
+PK$PEAK: m/z int. rel.int.
+  282.1 3610 17
+  325.0 91438 422
+  345.1 53588 247
+  355.2 6360 29
+  375.1 216477 999
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01696.txt b/MSSJ/MSBNK-MSSJ-MSJ01696.txt
new file mode 100644
index 00000000000..d605784bdbf
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01696.txt
@@ -0,0 +1,47 @@
+ACCESSION: MSBNK-MSSJ-MSJ01696
+RECORD_TITLE: Haloxazolam; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 20 V; [M+H]+
+DATE: 2023.03.27
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230327-3.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Haloxazolam
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C17H14BrFN2O2
+CH$EXACT_MASS: 376.022261
+CH$SMILES: C1COC2(N1CC(=O)NC3=C2C=C(C=C3)Br)C4=CC=CC=C4F
+CH$IUPAC: InChI=1S/C17H14BrFN2O2/c18-11-5-6-15-13(9-11)17(12-3-1-2-4-14(12)19)21(7-8-23-17)10-16(22)20-15/h1-6,9H,7-8,10H2,(H,20,22)
+CH$LINK: CAS 59128-97-1
+CH$LINK: CHEMSPIDER 3442
+CH$LINK: INCHIKEY XDKCGKQHVBOOHC-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:3563
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.644 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 375.014984
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+PK$SPLASH: splash10-004i-0009000000-09e8bd3ccbfe1e5fd5bc
+PK$NUM_PEAK: 10
+PK$PEAK: m/z int. rel.int.
+  78.8 3780 26
+  195.5 1588 11
+  253.2 1740 12
+  282.0 16062 112
+  300.0 2327 16
+  302.8 3653 26
+  325.0 142933 999
+  345.0 12514 87
+  355.1 5589 39
+  375.0 6946 49
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01697.txt b/MSSJ/MSBNK-MSSJ-MSJ01697.txt
new file mode 100644
index 00000000000..a768ff1709b
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01697.txt
@@ -0,0 +1,66 @@
+ACCESSION: MSBNK-MSSJ-MSJ01697
+RECORD_TITLE: Haloxazolam; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 30 V; [M+H]+
+DATE: 2023.03.27
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230327-3.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Haloxazolam
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C17H14BrFN2O2
+CH$EXACT_MASS: 376.022261
+CH$SMILES: C1COC2(N1CC(=O)NC3=C2C=C(C=C3)Br)C4=CC=CC=C4F
+CH$IUPAC: InChI=1S/C17H14BrFN2O2/c18-11-5-6-15-13(9-11)17(12-3-1-2-4-14(12)19)21(7-8-23-17)10-16(22)20-15/h1-6,9H,7-8,10H2,(H,20,22)
+CH$LINK: CAS 59128-97-1
+CH$LINK: CHEMSPIDER 3442
+CH$LINK: INCHIKEY XDKCGKQHVBOOHC-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:3563
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.644 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 375.014984
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+PK$SPLASH: splash10-004i-5279000000-dd1d53b6b028731a9dea
+PK$NUM_PEAK: 29
+PK$PEAK: m/z int. rel.int.
+  42.2 1740 50
+  79.0 24240 700
+  93.1 434 13
+  95.1 868 25
+  102.1 2188 63
+  116.0 1169 34
+  128.0 1169 34
+  181.9 868 25
+  195.8 8957 259
+  208.9 868 25
+  216.8 1738 50
+  222.3 830 24
+  244.9 2019 58
+  269.8 434 13
+  272.0 434 13
+  280.7 1053 30
+  282.1 14189 410
+  283.0 2059 59
+  287.9 4575 132
+  296.9 2077 60
+  297.9 2057 59
+  299.9 2908 84
+  303.1 2908 84
+  310.2 868 25
+  312.1 1169 34
+  323.8 1643 47
+  325.0 34604 999
+  345.1 868 25
+  354.8 1169 34
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01698.txt b/MSSJ/MSBNK-MSSJ-MSJ01698.txt
new file mode 100644
index 00000000000..67345154b10
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01698.txt
@@ -0,0 +1,54 @@
+ACCESSION: MSBNK-MSSJ-MSJ01698
+RECORD_TITLE: Haloxazolam; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 40 V; [M+H]+
+DATE: 2023.03.27
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230327-3.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Haloxazolam
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C17H14BrFN2O2
+CH$EXACT_MASS: 376.022261
+CH$SMILES: C1COC2(N1CC(=O)NC3=C2C=C(C=C3)Br)C4=CC=CC=C4F
+CH$IUPAC: InChI=1S/C17H14BrFN2O2/c18-11-5-6-15-13(9-11)17(12-3-1-2-4-14(12)19)21(7-8-23-17)10-16(22)20-15/h1-6,9H,7-8,10H2,(H,20,22)
+CH$LINK: CAS 59128-97-1
+CH$LINK: CHEMSPIDER 3442
+CH$LINK: INCHIKEY XDKCGKQHVBOOHC-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:3563
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.644 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 375.014984
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+PK$SPLASH: splash10-004i-9011000000-dfe861776ee243df3cc6
+PK$NUM_PEAK: 17
+PK$PEAK: m/z int. rel.int.
+  26.1 868 22
+  42.2 868 22
+  79.0 39662 999
+  89.1 868 22
+  95.3 868 22
+  101.9 434 11
+  127.9 434 11
+  179.6 434 11
+  195.7 1168 29
+  215.2 434 11
+  222.0 2830 71
+  281.6 868 22
+  283.0 1915 48
+  297.0 2736 69
+  312.1 868 22
+  323.7 434 11
+  325.0 6434 162
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01699.txt b/MSSJ/MSBNK-MSSJ-MSJ01699.txt
new file mode 100644
index 00000000000..ea4437185b6
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01699.txt
@@ -0,0 +1,50 @@
+ACCESSION: MSBNK-MSSJ-MSJ01699
+RECORD_TITLE: Haloxazolam; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 50 V; [M+H]+
+DATE: 2023.03.27
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230327-3.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Haloxazolam
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C17H14BrFN2O2
+CH$EXACT_MASS: 376.022261
+CH$SMILES: C1COC2(N1CC(=O)NC3=C2C=C(C=C3)Br)C4=CC=CC=C4F
+CH$IUPAC: InChI=1S/C17H14BrFN2O2/c18-11-5-6-15-13(9-11)17(12-3-1-2-4-14(12)19)21(7-8-23-17)10-16(22)20-15/h1-6,9H,7-8,10H2,(H,20,22)
+CH$LINK: CAS 59128-97-1
+CH$LINK: CHEMSPIDER 3442
+CH$LINK: INCHIKEY XDKCGKQHVBOOHC-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:3563
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.644 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 375.014984
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+PK$SPLASH: splash10-004i-9100000000-ca70e294d150652191b3
+PK$NUM_PEAK: 13
+PK$PEAK: m/z int. rel.int.
+  74.7 434 15
+  79.0 29825 999
+  101.6 434 15
+  115.9 1304 44
+  119.7 868 29
+  192.8 434 15
+  195.9 1246 42
+  208.0 868 29
+  281.7 830 28
+  282.8 432 14
+  283.4 432 14
+  296.1 434 15
+  325.0 830 28
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01700.txt b/MSSJ/MSBNK-MSSJ-MSJ01700.txt
new file mode 100644
index 00000000000..8544ba89613
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01700.txt
@@ -0,0 +1,40 @@
+ACCESSION: MSBNK-MSSJ-MSJ01700
+RECORD_TITLE: Nordiazepam; LC-ESI-QQ; MS; ESI; POSITIVE
+DATE: 2023.03.27
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230327-3.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Nordiazepam
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C15H11ClN2O
+CH$EXACT_MASS: 270.055983
+CH$SMILES: C1C(=O)NC2=C(C=C(C=C2)Cl)C(=N1)C3=CC=CC=C3
+CH$IUPAC: InChI=1S/C15H11ClN2O/c16-11-6-7-13-12(8-11)15(17-9-14(19)18-13)10-4-2-1-3-5-10/h1-8H,9H2,(H,18,19)
+CH$LINK: CAS 1088-11-5
+CH$LINK: CHEMSPIDER 2890
+CH$LINK: INCHIKEY AKPLHCDWDRPJGD-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:2997
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.417 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+PK$SPLASH: splash10-00di-0090000000-1575e0ce44a1bdb3892a
+PK$NUM_PEAK: 7
+PK$PEAK: m/z int. rel.int.
+  271.2 1768599 999
+  272.2 292697 165
+  273.2 557166 315
+  274.2 104516 59
+  293.2 59993 34
+  309.2 27955 16
+  311.2 17847 10
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01701.txt b/MSSJ/MSBNK-MSSJ-MSJ01701.txt
new file mode 100644
index 00000000000..8bfe57a2570
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01701.txt
@@ -0,0 +1,38 @@
+ACCESSION: MSBNK-MSSJ-MSJ01701
+RECORD_TITLE: Nordiazepam; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 10 V; [M+H]+
+DATE: 2023.03.27
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230327-3.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Nordiazepam
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C15H11ClN2O
+CH$EXACT_MASS: 270.055983
+CH$SMILES: C1C(=O)NC2=C(C=C(C=C2)Cl)C(=N1)C3=CC=CC=C3
+CH$IUPAC: InChI=1S/C15H11ClN2O/c16-11-6-7-13-12(8-11)15(17-9-14(19)18-13)10-4-2-1-3-5-10/h1-8H,9H2,(H,18,19)
+CH$LINK: CAS 1088-11-5
+CH$LINK: CHEMSPIDER 2890
+CH$LINK: INCHIKEY AKPLHCDWDRPJGD-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:2997
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.417 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 271.06326
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-00di-0090000000-0dccc7823d452fedb87d
+PK$NUM_PEAK: 1
+PK$PEAK: m/z int. rel.int.
+  271.2 2588464 999
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01702.txt b/MSSJ/MSBNK-MSSJ-MSJ01702.txt
new file mode 100644
index 00000000000..af4bbfdcd61
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01702.txt
@@ -0,0 +1,47 @@
+ACCESSION: MSBNK-MSSJ-MSJ01702
+RECORD_TITLE: Nordiazepam; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 20 V; [M+H]+
+DATE: 2023.03.27
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230327-3.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Nordiazepam
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C15H11ClN2O
+CH$EXACT_MASS: 270.055983
+CH$SMILES: C1C(=O)NC2=C(C=C(C=C2)Cl)C(=N1)C3=CC=CC=C3
+CH$IUPAC: InChI=1S/C15H11ClN2O/c16-11-6-7-13-12(8-11)15(17-9-14(19)18-13)10-4-2-1-3-5-10/h1-8H,9H2,(H,18,19)
+CH$LINK: CAS 1088-11-5
+CH$LINK: CHEMSPIDER 2890
+CH$LINK: INCHIKEY AKPLHCDWDRPJGD-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:2997
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.417 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 271.06326
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-00di-0190000000-0f0250f5959e1451f3d5
+PK$NUM_PEAK: 10
+PK$PEAK: m/z int. rel.int.
+  91.2 15581 14
+  140.2 127370 114
+  165.1 78254 70
+  168.1 11400 10
+  193.1 15133 14
+  208.2 94498 85
+  226.1 22142 20
+  242.0 12116 11
+  243.2 49244 44
+  271.1 1114721 999
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01703.txt b/MSSJ/MSBNK-MSSJ-MSJ01703.txt
new file mode 100644
index 00000000000..ad6f1e6d7ff
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01703.txt
@@ -0,0 +1,77 @@
+ACCESSION: MSBNK-MSSJ-MSJ01703
+RECORD_TITLE: Nordiazepam; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 30 V; [M+H]+
+DATE: 2023.03.27
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230327-3.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Nordiazepam
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C15H11ClN2O
+CH$EXACT_MASS: 270.055983
+CH$SMILES: C1C(=O)NC2=C(C=C(C=C2)Cl)C(=N1)C3=CC=CC=C3
+CH$IUPAC: InChI=1S/C15H11ClN2O/c16-11-6-7-13-12(8-11)15(17-9-14(19)18-13)10-4-2-1-3-5-10/h1-8H,9H2,(H,18,19)
+CH$LINK: CAS 1088-11-5
+CH$LINK: CHEMSPIDER 2890
+CH$LINK: INCHIKEY AKPLHCDWDRPJGD-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:2997
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.417 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 271.06326
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-0006-0940000000-c14e1c81b1fa80dd42b4
+PK$NUM_PEAK: 40
+PK$PEAK: m/z int. rel.int.
+  77.2 6366 18
+  91.2 80792 222
+  104.2 13267 37
+  105.2 14095 39
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+  117.1 6702 18
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+  138.2 19411 53
+  140.1 363071 999
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+  150.0 8428 23
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+  166.1 15947 44
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+  191.2 23538 65
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+  227.2 10484 29
+  235.2 4931 14
+  241.1 17669 49
+  242.2 12265 34
+  243.2 16896 46
+  271.1 77539 213
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01704.txt b/MSSJ/MSBNK-MSSJ-MSJ01704.txt
new file mode 100644
index 00000000000..2948ec39a08
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01704.txt
@@ -0,0 +1,97 @@
+ACCESSION: MSBNK-MSSJ-MSJ01704
+RECORD_TITLE: Nordiazepam; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 40 V; [M+H]+
+DATE: 2023.03.27
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230327-3.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Nordiazepam
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C15H11ClN2O
+CH$EXACT_MASS: 270.055983
+CH$SMILES: C1C(=O)NC2=C(C=C(C=C2)Cl)C(=N1)C3=CC=CC=C3
+CH$IUPAC: InChI=1S/C15H11ClN2O/c16-11-6-7-13-12(8-11)15(17-9-14(19)18-13)10-4-2-1-3-5-10/h1-8H,9H2,(H,18,19)
+CH$LINK: CAS 1088-11-5
+CH$LINK: CHEMSPIDER 2890
+CH$LINK: INCHIKEY AKPLHCDWDRPJGD-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:2997
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.417 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 271.06326
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-0006-1920000000-0f6dee13aff64dfaa1a0
+PK$NUM_PEAK: 60
+PK$PEAK: m/z int. rel.int.
+  28.3 6397 37
+  30.3 2237 13
+  65.3 8272 48
+  77.2 32470 189
+  78.2 2712 16
+  79.3 3841 22
+  89.2 11011 64
+  90.3 8043 47
+  91.2 82128 479
+  101.2 1830 11
+  102.2 9149 53
+  103.2 13151 77
+  104.2 46088 269
+  105.2 33372 194
+  111.2 15855 92
+  113.1 24269 141
+  116.2 29159 170
+  117.2 6918 40
+  123.1 6628 39
+  124.1 1948 11
+  127.2 21583 126
+  129.1 10522 61
+  130.2 25324 148
+  132.2 1883 11
+  133.2 2173 13
+  138.1 53224 310
+  140.1 171435 999
+  150.1 9401 55
+  151.1 5366 31
+  152.2 6176 36
+  153.0 2001 12
+  158.2 10347 60
+  163.1 5673 33
+  165.1 93054 542
+  166.2 14781 86
+  179.2 10447 61
+  180.1 32966 192
+  181.2 12635 74
+  182.3 2865 17
+  190.1 31291 182
+  191.2 18593 108
+  192.2 12342 72
+  193.1 9305 54
+  199.1 7043 41
+  201.0 3350 20
+  205.3 3852 22
+  206.2 12430 72
+  207.2 36912 215
+  208.1 49422 288
+  214.1 14248 83
+  216.1 1768 10
+  217.2 3685 21
+  218.2 6788 40
+  219.2 2830 16
+  226.2 8905 52
+  227.1 4706 27
+  235.1 3211 19
+  241.2 6979 41
+  243.2 1810 11
+  271.0 8088 47
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01705.txt b/MSSJ/MSBNK-MSSJ-MSJ01705.txt
new file mode 100644
index 00000000000..311020dd541
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01705.txt
@@ -0,0 +1,112 @@
+ACCESSION: MSBNK-MSSJ-MSJ01705
+RECORD_TITLE: Nordiazepam; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 50 V; [M+H]+
+DATE: 2023.03.27
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230327-3.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Nordiazepam
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C15H11ClN2O
+CH$EXACT_MASS: 270.055983
+CH$SMILES: C1C(=O)NC2=C(C=C(C=C2)Cl)C(=N1)C3=CC=CC=C3
+CH$IUPAC: InChI=1S/C15H11ClN2O/c16-11-6-7-13-12(8-11)15(17-9-14(19)18-13)10-4-2-1-3-5-10/h1-8H,9H2,(H,18,19)
+CH$LINK: CAS 1088-11-5
+CH$LINK: CHEMSPIDER 2890
+CH$LINK: INCHIKEY AKPLHCDWDRPJGD-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:2997
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.417 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 271.06326
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-0f96-3910000000-1b435ddc460f478eb58e
+PK$NUM_PEAK: 75
+PK$PEAK: m/z int. rel.int.
+  28.3 3055 37
+  30.3 1059 13
+  41.2 1769 22
+  51.2 4811 59
+  63.3 1979 24
+  65.2 22291 272
+  73.1 1360 17
+  75.2 7041 86
+  76.1 2837 35
+  77.2 81984 999
+  78.3 15622 190
+  79.4 1357 17
+  88.2 1702 21
+  89.3 18911 230
+  90.1 5199 63
+  91.2 80882 986
+  99.1 1446 18
+  100.1 1806 22
+  101.2 925 11
+  102.2 25636 312
+  103.2 22543 275
+  104.2 75813 924
+  105.2 38864 474
+  111.1 21368 260
+  112.2 3489 43
+  113.2 11119 135
+  114.1 7017 86
+  116.2 12353 151
+  117.2 7205 88
+  123.1 3609 44
+  124.0 5332 65
+  127.2 15827 193
+  129.2 16842 205
+  130.2 14501 177
+  133.1 974 12
+  136.1 4977 61
+  137.0 1874 23
+  138.2 21307 260
+  140.1 42707 520
+  150.0 2488 30
+  151.2 11033 134
+  152.2 7821 95
+  153.3 1919 23
+  154.0 2945 36
+  156.0 1311 16
+  158.0 4975 61
+  163.1 12859 157
+  164.2 14604 178
+  165.1 44554 543
+  166.2 1890 23
+  167.2 1239 15
+  176.0 1360 17
+  178.2 5777 70
+  179.2 13531 165
+  180.1 39604 483
+  181.3 2551 31
+  190.1 30348 370
+  191.1 10601 129
+  192.0 7079 86
+  193.2 3007 37
+  199.2 2733 33
+  200.0 1239 15
+  201.1 1625 20
+  206.2 17898 218
+  207.2 12657 154
+  208.1 12276 150
+  213.9 3167 39
+  215.0 1360 17
+  216.2 1059 13
+  217.1 2519 31
+  219.1 984 12
+  225.5 1662 20
+  241.1 5038 61
+  242.0 1360 17
+  271.5 2700 33
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01706.txt b/MSSJ/MSBNK-MSSJ-MSJ01706.txt
new file mode 100644
index 00000000000..96e6347cf2a
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01706.txt
@@ -0,0 +1,40 @@
+ACCESSION: MSBNK-MSSJ-MSJ01706
+RECORD_TITLE: Nordiazepam; LC-ESI-QQ; MS; ESI; NEGATIVE
+DATE: 2023.03.27
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230327-3.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Nordiazepam
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C15H11ClN2O
+CH$EXACT_MASS: 270.055983
+CH$SMILES: C1C(=O)NC2=C(C=C(C=C2)Cl)C(=N1)C3=CC=CC=C3
+CH$IUPAC: InChI=1S/C15H11ClN2O/c16-11-6-7-13-12(8-11)15(17-9-14(19)18-13)10-4-2-1-3-5-10/h1-8H,9H2,(H,18,19)
+CH$LINK: CAS 1088-11-5
+CH$LINK: CHEMSPIDER 2890
+CH$LINK: INCHIKEY AKPLHCDWDRPJGD-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:2997
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.417 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+PK$SPLASH: splash10-014i-0090000000-c6891ba4a84fde225cf5
+PK$NUM_PEAK: 7
+PK$PEAK: m/z int. rel.int.
+  241.0 138015 24
+  269.0 5646719 999
+  270.1 862156 153
+  271.0 1737262 307
+  272.1 281752 50
+  305.1 75780 13
+  307.1 88550 16
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01707.txt b/MSSJ/MSBNK-MSSJ-MSJ01707.txt
new file mode 100644
index 00000000000..ff0184e3019
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01707.txt
@@ -0,0 +1,40 @@
+ACCESSION: MSBNK-MSSJ-MSJ01707
+RECORD_TITLE: Nordiazepam; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 10 V; [M-H]-
+DATE: 2023.03.27
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230327-3.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Nordiazepam
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C15H11ClN2O
+CH$EXACT_MASS: 270.055983
+CH$SMILES: C1C(=O)NC2=C(C=C(C=C2)Cl)C(=N1)C3=CC=CC=C3
+CH$IUPAC: InChI=1S/C15H11ClN2O/c16-11-6-7-13-12(8-11)15(17-9-14(19)18-13)10-4-2-1-3-5-10/h1-8H,9H2,(H,18,19)
+CH$LINK: CAS 1088-11-5
+CH$LINK: CHEMSPIDER 2890
+CH$LINK: INCHIKEY AKPLHCDWDRPJGD-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:2997
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.417 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 269.048706
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+PK$SPLASH: splash10-014i-0090000000-ccd37e675db6fe7f49f1
+PK$NUM_PEAK: 3
+PK$PEAK: m/z int. rel.int.
+  241.0 583767 237
+  242.1 133039 54
+  269.1 2461936 999
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01708.txt b/MSSJ/MSBNK-MSSJ-MSJ01708.txt
new file mode 100644
index 00000000000..f2b48b0e3c0
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01708.txt
@@ -0,0 +1,40 @@
+ACCESSION: MSBNK-MSSJ-MSJ01708
+RECORD_TITLE: Nordiazepam; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 20 V; [M-H]-
+DATE: 2023.03.27
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230327-3.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Nordiazepam
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C15H11ClN2O
+CH$EXACT_MASS: 270.055983
+CH$SMILES: C1C(=O)NC2=C(C=C(C=C2)Cl)C(=N1)C3=CC=CC=C3
+CH$IUPAC: InChI=1S/C15H11ClN2O/c16-11-6-7-13-12(8-11)15(17-9-14(19)18-13)10-4-2-1-3-5-10/h1-8H,9H2,(H,18,19)
+CH$LINK: CAS 1088-11-5
+CH$LINK: CHEMSPIDER 2890
+CH$LINK: INCHIKEY AKPLHCDWDRPJGD-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:2997
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.417 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 269.048706
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+PK$SPLASH: splash10-0006-0090000000-f20d9b20ffd91700fb51
+PK$NUM_PEAK: 3
+PK$PEAK: m/z int. rel.int.
+  241.0 1877985 999
+  242.1 199363 106
+  269.0 119395 64
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01709.txt b/MSSJ/MSBNK-MSSJ-MSJ01709.txt
new file mode 100644
index 00000000000..c783cdc8375
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01709.txt
@@ -0,0 +1,40 @@
+ACCESSION: MSBNK-MSSJ-MSJ01709
+RECORD_TITLE: Nordiazepam; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 30 V; [M-H]-
+DATE: 2023.03.27
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230327-3.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Nordiazepam
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C15H11ClN2O
+CH$EXACT_MASS: 270.055983
+CH$SMILES: C1C(=O)NC2=C(C=C(C=C2)Cl)C(=N1)C3=CC=CC=C3
+CH$IUPAC: InChI=1S/C15H11ClN2O/c16-11-6-7-13-12(8-11)15(17-9-14(19)18-13)10-4-2-1-3-5-10/h1-8H,9H2,(H,18,19)
+CH$LINK: CAS 1088-11-5
+CH$LINK: CHEMSPIDER 2890
+CH$LINK: INCHIKEY AKPLHCDWDRPJGD-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:2997
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.417 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 269.048706
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+PK$SPLASH: splash10-0006-0090000000-f20d9b20ffd91700fb51
+PK$NUM_PEAK: 3
+PK$PEAK: m/z int. rel.int.
+  241.0 1877985 999
+  242.1 199363 106
+  269.0 119395 64
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01710.txt b/MSSJ/MSBNK-MSSJ-MSJ01710.txt
new file mode 100644
index 00000000000..02f5591d872
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01710.txt
@@ -0,0 +1,49 @@
+ACCESSION: MSBNK-MSSJ-MSJ01710
+RECORD_TITLE: Nordiazepam; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 40 V; [M-H]-
+DATE: 2023.03.27
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230327-3.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Nordiazepam
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C15H11ClN2O
+CH$EXACT_MASS: 270.055983
+CH$SMILES: C1C(=O)NC2=C(C=C(C=C2)Cl)C(=N1)C3=CC=CC=C3
+CH$IUPAC: InChI=1S/C15H11ClN2O/c16-11-6-7-13-12(8-11)15(17-9-14(19)18-13)10-4-2-1-3-5-10/h1-8H,9H2,(H,18,19)
+CH$LINK: CAS 1088-11-5
+CH$LINK: CHEMSPIDER 2890
+CH$LINK: INCHIKEY AKPLHCDWDRPJGD-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:2997
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.417 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 269.048706
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+PK$SPLASH: splash10-000f-4090000000-7c28c0016efc88098a5d
+PK$NUM_PEAK: 12
+PK$PEAK: m/z int. rel.int.
+  35.1 42095 711
+  42.0 1564 26
+  111.0 685 12
+  203.5 2058 35
+  205.0 14050 237
+  206.1 4106 69
+  241.0 59155 999
+  242.1 2154 36
+  265.7 1020 17
+  267.8 952 16
+  268.8 1439 24
+  269.5 985 17
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01711.txt b/MSSJ/MSBNK-MSSJ-MSJ01711.txt
new file mode 100644
index 00000000000..84492e81f79
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01711.txt
@@ -0,0 +1,50 @@
+ACCESSION: MSBNK-MSSJ-MSJ01711
+RECORD_TITLE: Nordiazepam; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 50 V; [M-H]-
+DATE: 2023.03.27
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230327-3.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Nordiazepam
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C15H11ClN2O
+CH$EXACT_MASS: 270.055983
+CH$SMILES: C1C(=O)NC2=C(C=C(C=C2)Cl)C(=N1)C3=CC=CC=C3
+CH$IUPAC: InChI=1S/C15H11ClN2O/c16-11-6-7-13-12(8-11)15(17-9-14(19)18-13)10-4-2-1-3-5-10/h1-8H,9H2,(H,18,19)
+CH$LINK: CAS 1088-11-5
+CH$LINK: CHEMSPIDER 2890
+CH$LINK: INCHIKEY AKPLHCDWDRPJGD-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:2997
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.417 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 269.048706
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+PK$SPLASH: splash10-000i-9040000000-1fc4ba53445bd5c95894
+PK$NUM_PEAK: 13
+PK$PEAK: m/z int. rel.int.
+  35.1 39043 999
+  42.1 678 17
+  100.8 685 18
+  110.0 510 13
+  138.2 510 13
+  175.4 997 26
+  204.1 508 13
+  205.0 1791 46
+  206.0 510 13
+  231.3 510 13
+  241.0 14569 373
+  241.9 442 11
+  268.6 958 25
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01712.txt b/MSSJ/MSBNK-MSSJ-MSJ01712.txt
new file mode 100644
index 00000000000..37520a5f943
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01712.txt
@@ -0,0 +1,37 @@
+ACCESSION: MSBNK-MSSJ-MSJ01712
+RECORD_TITLE: Midazolam; LC-ESI-QQ; MS; ESI; POSITIVE
+DATE: 2023.03.27
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230328-1.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Midazolam
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C18H13ClFN3
+CH$EXACT_MASS: 325.078191
+CH$SMILES: CC1=NC=C2N1C3=C(C=C(C=C3)Cl)C(=NC2)C4=CC=CC=C4F
+CH$IUPAC: InChI=1S/C18H13ClFN3/c1-11-21-9-13-10-22-18(14-4-2-3-5-16(14)20)15-8-12(19)6-7-17(15)23(11)13/h2-9H,10H2,1H3
+CH$LINK: CAS 59467-70-8
+CH$LINK: CHEMSPIDER 4047
+CH$LINK: INCHIKEY DDLIGBOFAVUZHB-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:4192
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.584 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+PK$SPLASH: splash10-004i-0009000000-ea96cb304ab715734026
+PK$NUM_PEAK: 4
+PK$PEAK: m/z int. rel.int.
+  326.2 2962708 999
+  327.2 716269 242
+  328.2 1114019 376
+  329.2 290621 98
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01713.txt b/MSSJ/MSBNK-MSSJ-MSJ01713.txt
new file mode 100644
index 00000000000..b7fce1c950f
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01713.txt
@@ -0,0 +1,38 @@
+ACCESSION: MSBNK-MSSJ-MSJ01713
+RECORD_TITLE: Midazolam; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 10 V; [M+H]+
+DATE: 2023.03.27
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230328-1.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Midazolam
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C18H13ClFN3
+CH$EXACT_MASS: 325.078191
+CH$SMILES: CC1=NC=C2N1C3=C(C=C(C=C3)Cl)C(=NC2)C4=CC=CC=C4F
+CH$IUPAC: InChI=1S/C18H13ClFN3/c1-11-21-9-13-10-22-18(14-4-2-3-5-16(14)20)15-8-12(19)6-7-17(15)23(11)13/h2-9H,10H2,1H3
+CH$LINK: CAS 59467-70-8
+CH$LINK: CHEMSPIDER 4047
+CH$LINK: INCHIKEY DDLIGBOFAVUZHB-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:4192
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.584 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 326.085468
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-004i-0009000000-2fb75fd5779d68db461d
+PK$NUM_PEAK: 1
+PK$PEAK: m/z int. rel.int.
+  326.2 3225839 999
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01714.txt b/MSSJ/MSBNK-MSSJ-MSJ01714.txt
new file mode 100644
index 00000000000..a119797dd40
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01714.txt
@@ -0,0 +1,42 @@
+ACCESSION: MSBNK-MSSJ-MSJ01714
+RECORD_TITLE: Midazolam; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 20 V; [M+H]+
+DATE: 2023.03.27
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230328-1.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Midazolam
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C18H13ClFN3
+CH$EXACT_MASS: 325.078191
+CH$SMILES: CC1=NC=C2N1C3=C(C=C(C=C3)Cl)C(=NC2)C4=CC=CC=C4F
+CH$IUPAC: InChI=1S/C18H13ClFN3/c1-11-21-9-13-10-22-18(14-4-2-3-5-16(14)20)15-8-12(19)6-7-17(15)23(11)13/h2-9H,10H2,1H3
+CH$LINK: CAS 59467-70-8
+CH$LINK: CHEMSPIDER 4047
+CH$LINK: INCHIKEY DDLIGBOFAVUZHB-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:4192
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.584 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 326.085468
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-004i-0029000000-187f139900704e5f1856
+PK$NUM_PEAK: 5
+PK$PEAK: m/z int. rel.int.
+  244.1 64755 34
+  285.2 24441 13
+  290.2 53696 28
+  291.2 291241 152
+  326.2 1912837 999
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01715.txt b/MSSJ/MSBNK-MSSJ-MSJ01715.txt
new file mode 100644
index 00000000000..91f117ab525
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01715.txt
@@ -0,0 +1,66 @@
+ACCESSION: MSBNK-MSSJ-MSJ01715
+RECORD_TITLE: Midazolam; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 30 V; [M+H]+
+DATE: 2023.03.27
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230328-1.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Midazolam
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C18H13ClFN3
+CH$EXACT_MASS: 325.078191
+CH$SMILES: CC1=NC=C2N1C3=C(C=C(C=C3)Cl)C(=NC2)C4=CC=CC=C4F
+CH$IUPAC: InChI=1S/C18H13ClFN3/c1-11-21-9-13-10-22-18(14-4-2-3-5-16(14)20)15-8-12(19)6-7-17(15)23(11)13/h2-9H,10H2,1H3
+CH$LINK: CAS 59467-70-8
+CH$LINK: CHEMSPIDER 4047
+CH$LINK: INCHIKEY DDLIGBOFAVUZHB-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:4192
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.584 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 326.085468
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-0006-0091000000-25122eafcdcd98b67a5f
+PK$NUM_PEAK: 29
+PK$PEAK: m/z int. rel.int.
+  129.1 20674 35
+  164.1 9295 16
+  169.1 5928 10
+  170.2 10852 19
+  189.1 27874 48
+  196.2 9082 16
+  204.9 7051 12
+  208.1 28141 48
+  209.1 108044 185
+  222.2 13179 23
+  223.1 58257 100
+  230.2 12602 22
+  231.2 10749 18
+  244.1 97064 166
+  249.2 98967 169
+  250.2 52588 90
+  258.2 24285 42
+  263.2 6751 12
+  265.0 13534 23
+  270.2 11102 19
+  283.9 6598 11
+  285.1 40904 70
+  289.1 10730 18
+  290.2 64223 110
+  291.2 583300 999
+  306.2 7144 12
+  309.1 23594 40
+  311.2 10009 17
+  326.2 188648 323
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01716.txt b/MSSJ/MSBNK-MSSJ-MSJ01716.txt
new file mode 100644
index 00000000000..e0e841fdcda
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01716.txt
@@ -0,0 +1,142 @@
+ACCESSION: MSBNK-MSSJ-MSJ01716
+RECORD_TITLE: Midazolam; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 40 V; [M+H]+
+DATE: 2023.03.27
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230328-1.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Midazolam
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C18H13ClFN3
+CH$EXACT_MASS: 325.078191
+CH$SMILES: CC1=NC=C2N1C3=C(C=C(C=C3)Cl)C(=NC2)C4=CC=CC=C4F
+CH$IUPAC: InChI=1S/C18H13ClFN3/c1-11-21-9-13-10-22-18(14-4-2-3-5-16(14)20)15-8-12(19)6-7-17(15)23(11)13/h2-9H,10H2,1H3
+CH$LINK: CAS 59467-70-8
+CH$LINK: CHEMSPIDER 4047
+CH$LINK: INCHIKEY DDLIGBOFAVUZHB-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:4192
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.584 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 326.085468
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
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+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01717.txt b/MSSJ/MSBNK-MSSJ-MSJ01717.txt
new file mode 100644
index 00000000000..16c5b95b8c2
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01717.txt
@@ -0,0 +1,161 @@
+ACCESSION: MSBNK-MSSJ-MSJ01717
+RECORD_TITLE: Midazolam; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 50 V; [M+H]+
+DATE: 2023.03.27
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230328-1.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Midazolam
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C18H13ClFN3
+CH$EXACT_MASS: 325.078191
+CH$SMILES: CC1=NC=C2N1C3=C(C=C(C=C3)Cl)C(=NC2)C4=CC=CC=C4F
+CH$IUPAC: InChI=1S/C18H13ClFN3/c1-11-21-9-13-10-22-18(14-4-2-3-5-16(14)20)15-8-12(19)6-7-17(15)23(11)13/h2-9H,10H2,1H3
+CH$LINK: CAS 59467-70-8
+CH$LINK: CHEMSPIDER 4047
+CH$LINK: INCHIKEY DDLIGBOFAVUZHB-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:4192
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.584 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 326.085468
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-05is-0890000000-276206ddc1971754f5a1
+PK$NUM_PEAK: 124
+PK$PEAK: m/z int. rel.int.
+  30.3 1878 21
+  42.3 14182 157
+  54.1 3583 40
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+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01718.txt b/MSSJ/MSBNK-MSSJ-MSJ01718.txt
new file mode 100644
index 00000000000..7db641fdb51
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01718.txt
@@ -0,0 +1,37 @@
+ACCESSION: MSBNK-MSSJ-MSJ01718
+RECORD_TITLE: Mexazolam; LC-ESI-QQ; MS; ESI; POSITIVE
+DATE: 2023.03.27
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230328-1.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Mexazolam
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C18H16Cl2N2O2
+CH$EXACT_MASS: 362.058876
+CH$SMILES: CC1COC2(N1CC(=O)NC3=C2C=C(C=C3)Cl)C4=CC=CC=C4Cl
+CH$IUPAC: InChI=1S/C18H16Cl2N2O2/c1-11-10-24-18(13-4-2-3-5-15(13)20)14-8-12(19)6-7-16(14)21-17(23)9-22(11)18/h2-8,11H,9-10H2,1H3,(H,21,23)
+CH$LINK: CAS 31868-18-5
+CH$LINK: CHEMSPIDER 4033
+CH$LINK: INCHIKEY ANUCDXCTICZJRH-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:4177
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.584 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+PK$SPLASH: splash10-004i-0009000000-ea96cb304ab715734026
+PK$NUM_PEAK: 4
+PK$PEAK: m/z int. rel.int.
+  326.2 2962708 999
+  327.2 716269 242
+  328.2 1114019 376
+  329.2 290621 98
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01719.txt b/MSSJ/MSBNK-MSSJ-MSJ01719.txt
new file mode 100644
index 00000000000..4596d1c06ef
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01719.txt
@@ -0,0 +1,39 @@
+ACCESSION: MSBNK-MSSJ-MSJ01719
+RECORD_TITLE: Mexazolam; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 10 V; [M+H]+
+DATE: 2023.03.27
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230328-1.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Mexazolam
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C18H16Cl2N2O2
+CH$EXACT_MASS: 362.058876
+CH$SMILES: CC1COC2(N1CC(=O)NC3=C2C=C(C=C3)Cl)C4=CC=CC=C4Cl
+CH$IUPAC: InChI=1S/C18H16Cl2N2O2/c1-11-10-24-18(13-4-2-3-5-15(13)20)14-8-12(19)6-7-16(14)21-17(23)9-22(11)18/h2-8,11H,9-10H2,1H3,(H,21,23)
+CH$LINK: CAS 31868-18-5
+CH$LINK: CHEMSPIDER 4033
+CH$LINK: INCHIKEY ANUCDXCTICZJRH-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:4177
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.227 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 363.066153
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-03di-0009000000-cd45c75f1c0fa0166af4
+PK$NUM_PEAK: 2
+PK$PEAK: m/z int. rel.int.
+  305.1 43426 49
+  363.2 887373 999
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01720.txt b/MSSJ/MSBNK-MSSJ-MSJ01720.txt
new file mode 100644
index 00000000000..4c787d293bc
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01720.txt
@@ -0,0 +1,42 @@
+ACCESSION: MSBNK-MSSJ-MSJ01720
+RECORD_TITLE: Mexazolam; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 20 V; [M+H]+
+DATE: 2023.03.27
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230328-1.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Mexazolam
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C18H16Cl2N2O2
+CH$EXACT_MASS: 362.058876
+CH$SMILES: CC1COC2(N1CC(=O)NC3=C2C=C(C=C3)Cl)C4=CC=CC=C4Cl
+CH$IUPAC: InChI=1S/C18H16Cl2N2O2/c1-11-10-24-18(13-4-2-3-5-15(13)20)14-8-12(19)6-7-16(14)21-17(23)9-22(11)18/h2-8,11H,9-10H2,1H3,(H,21,23)
+CH$LINK: CAS 31868-18-5
+CH$LINK: CHEMSPIDER 4033
+CH$LINK: INCHIKEY ANUCDXCTICZJRH-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:4177
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.227 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 363.066153
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-0bt9-0009000000-b37516631dd562908c2d
+PK$NUM_PEAK: 5
+PK$PEAK: m/z int. rel.int.
+  70.3 17510 43
+  140.2 8841 22
+  287.2 4268 11
+  305.1 402278 999
+  363.2 221662 550
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01721.txt b/MSSJ/MSBNK-MSSJ-MSJ01721.txt
new file mode 100644
index 00000000000..fc9fa06d5f4
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01721.txt
@@ -0,0 +1,56 @@
+ACCESSION: MSBNK-MSSJ-MSJ01721
+RECORD_TITLE: Mexazolam; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 30 V; [M+H]+
+DATE: 2023.03.27
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230328-1.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Mexazolam
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C18H16Cl2N2O2
+CH$EXACT_MASS: 362.058876
+CH$SMILES: CC1COC2(N1CC(=O)NC3=C2C=C(C=C3)Cl)C4=CC=CC=C4Cl
+CH$IUPAC: InChI=1S/C18H16Cl2N2O2/c1-11-10-24-18(13-4-2-3-5-15(13)20)14-8-12(19)6-7-16(14)21-17(23)9-22(11)18/h2-8,11H,9-10H2,1H3,(H,21,23)
+CH$LINK: CAS 31868-18-5
+CH$LINK: CHEMSPIDER 4033
+CH$LINK: INCHIKEY ANUCDXCTICZJRH-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:4177
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.227 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 363.066153
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-0a4i-1329000000-f63d5f15ef04938d2bd1
+PK$NUM_PEAK: 19
+PK$PEAK: m/z int. rel.int.
+  70.3 45879 172
+  133.1 5561 21
+  138.1 3355 13
+  139.1 2871 11
+  140.2 55284 208
+  150.3 4296 16
+  165.1 15209 57
+  166.1 16589 62
+  168.2 4076 15
+  178.1 2815 11
+  206.2 4038 15
+  227.1 5724 22
+  228.2 7824 29
+  241.2 14049 53
+  242.1 14817 56
+  252.1 6081 23
+  276.1 13857 52
+  277.1 8998 34
+  305.1 265966 999
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01722.txt b/MSSJ/MSBNK-MSSJ-MSJ01722.txt
new file mode 100644
index 00000000000..822a6067e6c
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01722.txt
@@ -0,0 +1,80 @@
+ACCESSION: MSBNK-MSSJ-MSJ01722
+RECORD_TITLE: Mexazolam; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 40 V; [M+H]+
+DATE: 2023.03.27
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230328-1.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Mexazolam
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C18H16Cl2N2O2
+CH$EXACT_MASS: 362.058876
+CH$SMILES: CC1COC2(N1CC(=O)NC3=C2C=C(C=C3)Cl)C4=CC=CC=C4Cl
+CH$IUPAC: InChI=1S/C18H16Cl2N2O2/c1-11-10-24-18(13-4-2-3-5-15(13)20)14-8-12(19)6-7-16(14)21-17(23)9-22(11)18/h2-8,11H,9-10H2,1H3,(H,21,23)
+CH$LINK: CAS 31868-18-5
+CH$LINK: CHEMSPIDER 4033
+CH$LINK: INCHIKEY ANUCDXCTICZJRH-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:4177
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.227 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 363.066153
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-0006-2962000000-02fe5978d1db44940759
+PK$NUM_PEAK: 43
+PK$PEAK: m/z int. rel.int.
+  30.3 1567 17
+  31.3 1538 16
+  41.4 1560 17
+  42.3 6304 67
+  56.2 1313 14
+  59.1 1195 13
+  70.3 33101 351
+  88.2 1494 16
+  105.3 3448 37
+  113.2 3118 33
+  117.0 1832 19
+  125.2 9729 103
+  126.1 2420 26
+  133.2 9079 96
+  136.3 983 10
+  138.2 8059 85
+  140.1 94166 999
+  150.0 15524 165
+  158.2 4608 49
+  165.1 31623 335
+  166.1 16527 175
+  168.1 1907 20
+  178.0 5967 63
+  179.1 1552 16
+  193.0 2625 28
+  205.2 2957 31
+  206.2 15797 168
+  207.0 6795 72
+  214.2 10895 116
+  227.1 13216 140
+  228.1 15479 164
+  235.0 2274 24
+  238.1 1313 14
+  241.2 26440 280
+  242.2 30757 326
+  248.1 1881 20
+  252.1 5273 56
+  261.1 1450 15
+  270.4 1652 18
+  275.1 2407 26
+  276.2 7504 80
+  277.2 2270 24
+  305.1 47944 509
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01723.txt b/MSSJ/MSBNK-MSSJ-MSJ01723.txt
new file mode 100644
index 00000000000..9e9c48e510b
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01723.txt
@@ -0,0 +1,98 @@
+ACCESSION: MSBNK-MSSJ-MSJ01723
+RECORD_TITLE: Mexazolam; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 50 V; [M+H]+
+DATE: 2023.03.27
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230328-1.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Mexazolam
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C18H16Cl2N2O2
+CH$EXACT_MASS: 362.058876
+CH$SMILES: CC1COC2(N1CC(=O)NC3=C2C=C(C=C3)Cl)C4=CC=CC=C4Cl
+CH$IUPAC: InChI=1S/C18H16Cl2N2O2/c1-11-10-24-18(13-4-2-3-5-15(13)20)14-8-12(19)6-7-16(14)21-17(23)9-22(11)18/h2-8,11H,9-10H2,1H3,(H,21,23)
+CH$LINK: CAS 31868-18-5
+CH$LINK: CHEMSPIDER 4033
+CH$LINK: INCHIKEY ANUCDXCTICZJRH-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:4177
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.227 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 363.066153
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-0006-1940000000-050aa60a01cd0f012e33
+PK$NUM_PEAK: 61
+PK$PEAK: m/z int. rel.int.
+  28.4 2136 23
+  41.4 3395 36
+  42.3 4658 50
+  43.4 1274 14
+  55.4 3161 34
+  59.3 2507 27
+  64.2 1880 20
+  70.3 15437 165
+  77.2 4134 44
+  78.2 1313 14
+  89.3 1764 19
+  100.2 983 11
+  102.2 2535 27
+  103.1 1313 14
+  104.2 3625 39
+  105.2 6632 71
+  111.3 3874 42
+  112.2 1195 13
+  113.1 5284 57
+  117.3 2284 24
+  125.1 12059 129
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+  129.2 1394 15
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+  138.2 15488 166
+  139.0 3710 40
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+  178.0 2820 30
+  179.2 9366 100
+  180.3 3708 40
+  190.3 2385 26
+  192.3 2420 26
+  205.2 10557 113
+  206.1 22050 236
+  207.2 7409 79
+  208.3 1523 16
+  214.1 17314 185
+  217.2 1195 13
+  225.1 1822 20
+  227.2 6926 74
+  228.2 11809 127
+  235.2 1765 19
+  239.0 1851 20
+  240.1 2448 26
+  241.1 16142 173
+  242.1 8171 88
+  248.1 2333 25
+  250.1 1195 13
+  252.1 2828 30
+  260.2 2842 30
+  275.2 2949 32
+  276.1 940 10
+  304.9 3653 39
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01724.txt b/MSSJ/MSBNK-MSSJ-MSJ01724.txt
new file mode 100644
index 00000000000..a148f263550
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01724.txt
@@ -0,0 +1,46 @@
+ACCESSION: MSBNK-MSSJ-MSJ01724
+RECORD_TITLE: Mexazolam; LC-ESI-QQ; MS; ESI; NEGATIVE
+DATE: 2023.03.27
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230328-1.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Mexazolam
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C18H16Cl2N2O2
+CH$EXACT_MASS: 362.058876
+CH$SMILES: CC1COC2(N1CC(=O)NC3=C2C=C(C=C3)Cl)C4=CC=CC=C4Cl
+CH$IUPAC: InChI=1S/C18H16Cl2N2O2/c1-11-10-24-18(13-4-2-3-5-15(13)20)14-8-12(19)6-7-16(14)21-17(23)9-22(11)18/h2-8,11H,9-10H2,1H3,(H,21,23)
+CH$LINK: CAS 31868-18-5
+CH$LINK: CHEMSPIDER 4033
+CH$LINK: INCHIKEY ANUCDXCTICZJRH-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:4177
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.584 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+PK$SPLASH: splash10-03di-0009000000-0053799ecc9034ac7a74
+PK$NUM_PEAK: 13
+PK$PEAK: m/z int. rel.int.
+  331.1 101379 18
+  333.0 61448 11
+  361.1 5624017 999
+  362.1 1173220 208
+  363.1 3609606 641
+  364.1 708294 126
+  365.1 666202 118
+  366.1 121868 22
+  397.0 175961 31
+  399.1 143917 26
+  407.1 65798 12
+  429.1 56406 10
+  459.2 63246 11
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01725.txt b/MSSJ/MSBNK-MSSJ-MSJ01725.txt
new file mode 100644
index 00000000000..63bf215bbbe
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01725.txt
@@ -0,0 +1,41 @@
+ACCESSION: MSBNK-MSSJ-MSJ01725
+RECORD_TITLE: Mexazolam; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 10 V; [M-H]-
+DATE: 2023.03.27
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230328-1.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Mexazolam
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C18H16Cl2N2O2
+CH$EXACT_MASS: 362.058876
+CH$SMILES: CC1COC2(N1CC(=O)NC3=C2C=C(C=C3)Cl)C4=CC=CC=C4Cl
+CH$IUPAC: InChI=1S/C18H16Cl2N2O2/c1-11-10-24-18(13-4-2-3-5-15(13)20)14-8-12(19)6-7-16(14)21-17(23)9-22(11)18/h2-8,11H,9-10H2,1H3,(H,21,23)
+CH$LINK: CAS 31868-18-5
+CH$LINK: CHEMSPIDER 4033
+CH$LINK: INCHIKEY ANUCDXCTICZJRH-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:4177
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.227 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 361.051599
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+PK$SPLASH: splash10-03di-0009000000-6d1fb286b508ec34e909
+PK$NUM_PEAK: 4
+PK$PEAK: m/z int. rel.int.
+  289.0 26602 37
+  295.1 17822 25
+  331.1 124066 173
+  361.1 714786 999
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01726.txt b/MSSJ/MSBNK-MSSJ-MSJ01726.txt
new file mode 100644
index 00000000000..433e163a7c4
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01726.txt
@@ -0,0 +1,61 @@
+ACCESSION: MSBNK-MSSJ-MSJ01726
+RECORD_TITLE: Mexazolam; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 20 V; [M-H]-
+DATE: 2023.03.27
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230328-1.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Mexazolam
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C18H16Cl2N2O2
+CH$EXACT_MASS: 362.058876
+CH$SMILES: CC1COC2(N1CC(=O)NC3=C2C=C(C=C3)Cl)C4=CC=CC=C4Cl
+CH$IUPAC: InChI=1S/C18H16Cl2N2O2/c1-11-10-24-18(13-4-2-3-5-15(13)20)14-8-12(19)6-7-16(14)21-17(23)9-22(11)18/h2-8,11H,9-10H2,1H3,(H,21,23)
+CH$LINK: CAS 31868-18-5
+CH$LINK: CHEMSPIDER 4033
+CH$LINK: INCHIKEY ANUCDXCTICZJRH-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:4177
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.227 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 361.051599
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+PK$SPLASH: splash10-000i-1093000000-1415cd988fafec937f7f
+PK$NUM_PEAK: 24
+PK$PEAK: m/z int. rel.int.
+  35.1 22410 239
+  116.0 1938 21
+  136.1 1075 11
+  151.7 7280 78
+  177.1 3869 41
+  191.8 2300 25
+  219.1 4731 50
+  226.0 2509 27
+  231.2 1253 13
+  237.8 2236 24
+  241.1 1750 19
+  248.8 2553 27
+  252.1 19278 205
+  253.1 4813 51
+  259.0 1228 13
+  259.7 3667 39
+  274.1 6570 70
+  277.0 1049 11
+  289.0 93726 999
+  295.1 45674 487
+  299.0 1400 15
+  329.3 4496 48
+  330.9 42688 455
+  361.2 18773 200
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01727.txt b/MSSJ/MSBNK-MSSJ-MSJ01727.txt
new file mode 100644
index 00000000000..3cfef914476
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01727.txt
@@ -0,0 +1,89 @@
+ACCESSION: MSBNK-MSSJ-MSJ01727
+RECORD_TITLE: Mexazolam; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 30 V; [M-H]-
+DATE: 2023.03.27
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230328-1.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Mexazolam
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C18H16Cl2N2O2
+CH$EXACT_MASS: 362.058876
+CH$SMILES: CC1COC2(N1CC(=O)NC3=C2C=C(C=C3)Cl)C4=CC=CC=C4Cl
+CH$IUPAC: InChI=1S/C18H16Cl2N2O2/c1-11-10-24-18(13-4-2-3-5-15(13)20)14-8-12(19)6-7-16(14)21-17(23)9-22(11)18/h2-8,11H,9-10H2,1H3,(H,21,23)
+CH$LINK: CAS 31868-18-5
+CH$LINK: CHEMSPIDER 4033
+CH$LINK: INCHIKEY ANUCDXCTICZJRH-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:4177
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.227 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 361.051599
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+PK$SPLASH: splash10-0f79-3490000000-4f0bd9ad98cbb5a2a3df
+PK$NUM_PEAK: 52
+PK$PEAK: m/z int. rel.int.
+  35.2 28571 999
+  42.1 1034 36
+  75.1 437 15
+  83.9 874 31
+  110.9 3862 135
+  116.0 1529 53
+  121.0 874 31
+  126.2 1025 36
+  136.0 2969 104
+  140.5 437 15
+  141.2 874 31
+  142.2 835 29
+  145.0 437 15
+  149.9 871 30
+  152.0 12104 423
+  154.0 874 31
+  163.9 349 12
+  165.0 1856 65
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+  224.9 874 31
+  226.1 4864 170
+  231.1 1389 49
+  238.2 4967 174
+  239.0 874 31
+  241.6 874 31
+  244.1 1428 50
+  249.1 1671 58
+  252.1 15990 559
+  253.0 7032 246
+  259.8 2509 88
+  265.0 3727 130
+  266.9 1750 61
+  273.9 4947 173
+  275.1 1174 41
+  277.0 437 15
+  277.8 437 15
+  289.0 16999 594
+  292.9 868 30
+  294.9 6155 215
+  313.3 874 31
+  329.2 1767 62
+  330.6 3430 120
+  360.4 874 31
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01728.txt b/MSSJ/MSBNK-MSSJ-MSJ01728.txt
new file mode 100644
index 00000000000..787f0d10c15
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01728.txt
@@ -0,0 +1,79 @@
+ACCESSION: MSBNK-MSSJ-MSJ01728
+RECORD_TITLE: Mexazolam; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 40 V; [M-H]-
+DATE: 2023.03.27
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230328-1.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Mexazolam
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C18H16Cl2N2O2
+CH$EXACT_MASS: 362.058876
+CH$SMILES: CC1COC2(N1CC(=O)NC3=C2C=C(C=C3)Cl)C4=CC=CC=C4Cl
+CH$IUPAC: InChI=1S/C18H16Cl2N2O2/c1-11-10-24-18(13-4-2-3-5-15(13)20)14-8-12(19)6-7-16(14)21-17(23)9-22(11)18/h2-8,11H,9-10H2,1H3,(H,21,23)
+CH$LINK: CAS 31868-18-5
+CH$LINK: CHEMSPIDER 4033
+CH$LINK: INCHIKEY ANUCDXCTICZJRH-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:4177
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.227 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 361.051599
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+PK$SPLASH: splash10-000i-7940000000-9db139ef1617e24bcc78
+PK$NUM_PEAK: 42
+PK$PEAK: m/z int. rel.int.
+  35.2 19503 999
+  42.2 2441 125
+  44.3 874 45
+  66.0 1750 90
+  75.1 692 35
+  91.2 874 45
+  92.2 874 45
+  98.1 699 36
+  110.9 1707 87
+  116.0 874 45
+  126.0 437 22
+  129.9 437 22
+  136.0 3264 167
+  141.0 437 22
+  149.9 3666 188
+  152.0 1992 102
+  155.1 437 22
+  164.9 4894 251
+  165.8 1654 85
+  176.9 1965 101
+  188.1 437 22
+  189.0 437 22
+  191.0 6631 340
+  191.9 1292 66
+  193.0 1988 102
+  208.0 874 45
+  215.2 874 45
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+  224.2 437 22
+  238.0 1253 64
+  249.9 1311 67
+  251.3 654 33
+  252.1 3958 203
+  253.3 654 33
+  259.1 871 45
+  259.9 680 35
+  265.1 2635 135
+  266.1 874 45
+  267.0 437 22
+  273.8 437 22
+  287.4 437 22
+  288.6 437 22
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01729.txt b/MSSJ/MSBNK-MSSJ-MSJ01729.txt
new file mode 100644
index 00000000000..b45a97b9f82
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01729.txt
@@ -0,0 +1,62 @@
+ACCESSION: MSBNK-MSSJ-MSJ01729
+RECORD_TITLE: Mexazolam; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 50 V; [M-H]-
+DATE: 2023.03.27
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230328-1.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Mexazolam
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C18H16Cl2N2O2
+CH$EXACT_MASS: 362.058876
+CH$SMILES: CC1COC2(N1CC(=O)NC3=C2C=C(C=C3)Cl)C4=CC=CC=C4Cl
+CH$IUPAC: InChI=1S/C18H16Cl2N2O2/c1-11-10-24-18(13-4-2-3-5-15(13)20)14-8-12(19)6-7-16(14)21-17(23)9-22(11)18/h2-8,11H,9-10H2,1H3,(H,21,23)
+CH$LINK: CAS 31868-18-5
+CH$LINK: CHEMSPIDER 4033
+CH$LINK: INCHIKEY ANUCDXCTICZJRH-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:4177
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.227 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 361.051599
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+PK$SPLASH: splash10-000i-9730000000-eaf5f416ea5a158f2a85
+PK$NUM_PEAK: 25
+PK$PEAK: m/z int. rel.int.
+  35.1 18833 999
+  42.2 2717 144
+  75.2 258 14
+  111.0 3079 163
+  116.2 874 46
+  125.8 1025 54
+  127.2 437 23
+  140.9 874 46
+  149.9 437 23
+  151.0 2468 131
+  151.9 1361 72
+  154.5 874 46
+  164.8 4511 239
+  165.9 2187 116
+  182.9 437 23
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+  223.8 2354 125
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+  258.6 437 23
+  264.6 874 46
+  265.7 530 28
+  288.0 874 46
+  289.1 437 23
+  330.7 874 46
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01730.txt b/MSSJ/MSBNK-MSSJ-MSJ01730.txt
new file mode 100644
index 00000000000..c94c6a6e962
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01730.txt
@@ -0,0 +1,38 @@
+ACCESSION: MSBNK-MSSJ-MSJ01730
+RECORD_TITLE: Medazepam; LC-ESI-QQ; MS; ESI; POSITIVE
+DATE: 2023.03.27
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230328-1.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Medazepam
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C16H15ClN2
+CH$EXACT_MASS: 270.092368
+CH$SMILES: CN1CCN=C(C2=C1C=CC(=C2)Cl)C3=CC=CC=C3
+CH$IUPAC: InChI=1S/C16H15ClN2/c1-19-10-9-18-16(12-5-3-2-4-6-12)14-11-13(17)7-8-15(14)19/h2-8,11H,9-10H2,1H3
+CH$LINK: CAS 2898-12-6
+CH$LINK: CHEMSPIDER 2901
+CH$LINK: INCHIKEY YLCXGBZIZBEVPZ-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:4041
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.841 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+PK$SPLASH: splash10-00di-0090000000-35d1474fb27b15dad411
+PK$NUM_PEAK: 5
+PK$PEAK: m/z int. rel.int.
+  271.2 2021869 999
+  272.2 351447 174
+  273.2 659636 326
+  274.2 109345 54
+  279.2 44608 22
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01731.txt b/MSSJ/MSBNK-MSSJ-MSJ01731.txt
new file mode 100644
index 00000000000..09939c4653d
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01731.txt
@@ -0,0 +1,38 @@
+ACCESSION: MSBNK-MSSJ-MSJ01731
+RECORD_TITLE: Medazepam; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 10 V; [M+H]+
+DATE: 2023.03.27
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230328-1.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Medazepam
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C16H15ClN2
+CH$EXACT_MASS: 270.092368
+CH$SMILES: CN1CCN=C(C2=C1C=CC(=C2)Cl)C3=CC=CC=C3
+CH$IUPAC: InChI=1S/C16H15ClN2/c1-19-10-9-18-16(12-5-3-2-4-6-12)14-11-13(17)7-8-15(14)19/h2-8,11H,9-10H2,1H3
+CH$LINK: CAS 2898-12-6
+CH$LINK: CHEMSPIDER 2901
+CH$LINK: INCHIKEY YLCXGBZIZBEVPZ-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:4041
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.841 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 271.099645
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-00di-0090000000-0dccc7823d452fedb87d
+PK$NUM_PEAK: 1
+PK$PEAK: m/z int. rel.int.
+  271.2 3171138 999
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01732.txt b/MSSJ/MSBNK-MSSJ-MSJ01732.txt
new file mode 100644
index 00000000000..31955df2fae
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01732.txt
@@ -0,0 +1,52 @@
+ACCESSION: MSBNK-MSSJ-MSJ01732
+RECORD_TITLE: Medazepam; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 20 V; [M+H]+
+DATE: 2023.03.27
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230328-1.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Medazepam
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C16H15ClN2
+CH$EXACT_MASS: 270.092368
+CH$SMILES: CN1CCN=C(C2=C1C=CC(=C2)Cl)C3=CC=CC=C3
+CH$IUPAC: InChI=1S/C16H15ClN2/c1-19-10-9-18-16(12-5-3-2-4-6-12)14-11-13(17)7-8-15(14)19/h2-8,11H,9-10H2,1H3
+CH$LINK: CAS 2898-12-6
+CH$LINK: CHEMSPIDER 2901
+CH$LINK: INCHIKEY YLCXGBZIZBEVPZ-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:4041
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.841 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 271.099645
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-00di-1190000000-b7a27d1aea154492c8c9
+PK$NUM_PEAK: 15
+PK$PEAK: m/z int. rel.int.
+  30.4 18767 20
+  44.3 35799 38
+  91.2 106512 114
+  106.2 10554 11
+  165.1 20178 22
+  166.1 14390 15
+  179.1 10012 11
+  180.1 134432 144
+  207.2 89143 96
+  219.2 21098 23
+  228.1 31259 34
+  230.1 19682 21
+  242.2 184158 198
+  254.2 32727 35
+  271.2 929733 999
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01733.txt b/MSSJ/MSBNK-MSSJ-MSJ01733.txt
new file mode 100644
index 00000000000..df9fab8244d
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01733.txt
@@ -0,0 +1,73 @@
+ACCESSION: MSBNK-MSSJ-MSJ01733
+RECORD_TITLE: Medazepam; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 30 V; [M+H]+
+DATE: 2023.03.27
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230328-1.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Medazepam
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C16H15ClN2
+CH$EXACT_MASS: 270.092368
+CH$SMILES: CN1CCN=C(C2=C1C=CC(=C2)Cl)C3=CC=CC=C3
+CH$IUPAC: InChI=1S/C16H15ClN2/c1-19-10-9-18-16(12-5-3-2-4-6-12)14-11-13(17)7-8-15(14)19/h2-8,11H,9-10H2,1H3
+CH$LINK: CAS 2898-12-6
+CH$LINK: CHEMSPIDER 2901
+CH$LINK: INCHIKEY YLCXGBZIZBEVPZ-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:4041
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.841 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 271.099645
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-0006-8590000000-00ad7bd574732642f1e4
+PK$NUM_PEAK: 36
+PK$PEAK: m/z int. rel.int.
+  30.3 26977 73
+  42.3 9431 26
+  44.3 44230 120
+  79.2 5730 16
+  91.2 368429 999
+  105.2 4955 13
+  106.2 6940 19
+  117.2 26552 72
+  125.0 6348 17
+  130.2 4018 11
+  131.2 18838 51
+  152.1 13706 37
+  154.2 4222 11
+  164.2 11106 30
+  165.1 83010 225
+  166.1 9478 26
+  178.1 4671 13
+  179.1 11781 32
+  180.1 64680 175
+  193.2 36210 98
+  194.1 8602 23
+  195.2 4646 13
+  204.1 4101 11
+  206.2 33421 91
+  207.2 186845 507
+  214.0 5878 16
+  218.1 16774 45
+  219.2 13779 37
+  227.1 18333 50
+  228.1 48413 131
+  230.1 35373 96
+  242.2 32021 87
+  243.2 4080 11
+  254.2 26637 72
+  255.2 6719 18
+  271.2 65422 177
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01734.txt b/MSSJ/MSBNK-MSSJ-MSJ01734.txt
new file mode 100644
index 00000000000..3d6e6d36848
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01734.txt
@@ -0,0 +1,72 @@
+ACCESSION: MSBNK-MSSJ-MSJ01734
+RECORD_TITLE: Medazepam; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 40 V; [M+H]+
+DATE: 2023.03.27
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230328-1.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Medazepam
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C16H15ClN2
+CH$EXACT_MASS: 270.092368
+CH$SMILES: CN1CCN=C(C2=C1C=CC(=C2)Cl)C3=CC=CC=C3
+CH$IUPAC: InChI=1S/C16H15ClN2/c1-19-10-9-18-16(12-5-3-2-4-6-12)14-11-13(17)7-8-15(14)19/h2-8,11H,9-10H2,1H3
+CH$LINK: CAS 2898-12-6
+CH$LINK: CHEMSPIDER 2901
+CH$LINK: INCHIKEY YLCXGBZIZBEVPZ-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:4041
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.841 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 271.099645
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-0006-8950000000-45488237eebaa8dd2da3
+PK$NUM_PEAK: 35
+PK$PEAK: m/z int. rel.int.
+  30.3 13776 42
+  42.3 5218 16
+  44.3 24433 75
+  56.3 3748 11
+  65.2 13230 41
+  89.3 6843 21
+  91.2 326144 999
+  106.3 3651 11
+  117.2 38729 119
+  125.1 11894 36
+  128.1 4420 14
+  130.1 18273 56
+  131.2 9566 29
+  138.2 7629 23
+  152.1 9545 29
+  164.1 13208 40
+  165.1 131263 402
+  178.1 13168 40
+  179.1 22220 68
+  180.1 8561 26
+  192.1 20261 62
+  193.1 84995 260
+  194.2 12416 38
+  204.1 10057 31
+  206.2 72166 221
+  207.2 83485 256
+  214.2 3838 12
+  218.2 14220 44
+  219.2 3488 11
+  227.1 11784 36
+  228.2 13468 41
+  230.1 3771 12
+  242.2 3498 11
+  254.2 4526 14
+  270.9 4934 15
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01735.txt b/MSSJ/MSBNK-MSSJ-MSJ01735.txt
new file mode 100644
index 00000000000..8836267fded
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01735.txt
@@ -0,0 +1,87 @@
+ACCESSION: MSBNK-MSSJ-MSJ01735
+RECORD_TITLE: Medazepam; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 50 V; [M+H]+
+DATE: 2023.03.27
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230328-1.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Medazepam
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C16H15ClN2
+CH$EXACT_MASS: 270.092368
+CH$SMILES: CN1CCN=C(C2=C1C=CC(=C2)Cl)C3=CC=CC=C3
+CH$IUPAC: InChI=1S/C16H15ClN2/c1-19-10-9-18-16(12-5-3-2-4-6-12)14-11-13(17)7-8-15(14)19/h2-8,11H,9-10H2,1H3
+CH$LINK: CAS 2898-12-6
+CH$LINK: CHEMSPIDER 2901
+CH$LINK: INCHIKEY YLCXGBZIZBEVPZ-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:4041
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.841 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 271.099645
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-00kf-8920000000-3c8000ce4796c8f35e5a
+PK$NUM_PEAK: 50
+PK$PEAK: m/z int. rel.int.
+  30.3 16120 65
+  39.4 3523 14
+  42.3 9571 39
+  44.3 17742 72
+  65.2 33309 134
+  77.3 9759 39
+  89.2 15828 64
+  90.2 13843 56
+  91.2 247458 999
+  99.2 4367 18
+  101.2 4044 16
+  102.2 3179 13
+  103.2 4145 17
+  104.1 4581 18
+  111.1 5890 24
+  115.2 2728 11
+  117.2 38449 155
+  123.1 2752 11
+  124.0 2868 12
+  125.1 11857 48
+  127.2 2606 11
+  128.2 17545 71
+  129.1 7560 31
+  130.2 15834 64
+  131.2 4836 20
+  138.1 6218 25
+  140.2 2981 12
+  151.1 2794 11
+  152.1 5066 20
+  163.1 4103 17
+  165.1 88942 359
+  166.1 7210 29
+  176.1 5076 20
+  177.2 5055 20
+  178.2 25690 104
+  179.1 19689 79
+  180.2 7347 30
+  190.2 2537 10
+  191.2 10110 41
+  192.2 30522 123
+  193.2 39560 160
+  194.2 9110 37
+  203.2 3626 15
+  204.1 17137 69
+  206.2 58842 238
+  207.2 18725 76
+  218.2 7303 29
+  227.1 4342 18
+  228.1 2537 10
+  271.0 3065 12
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01736.txt b/MSSJ/MSBNK-MSSJ-MSJ01736.txt
new file mode 100644
index 00000000000..7d780eb8e4c
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01736.txt
@@ -0,0 +1,52 @@
+ACCESSION: MSBNK-MSSJ-MSJ01736
+RECORD_TITLE: Lormetazepam; LC-ESI-QQ; MS; ESI; POSITIVE
+DATE: 2023.03.27
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230328-1.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Lormetazepam
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C16H12Cl2N2O2
+CH$EXACT_MASS: 334.027576
+CH$SMILES: CN1C2=C(C=C(C=C2)Cl)C(=NC(C1=O)O)C3=CC=CC=C3Cl
+CH$IUPAC: InChI=1S/C16H12Cl2N2O2/c1-20-13-7-6-9(17)8-11(13)14(19-15(21)16(20)22)10-4-2-3-5-12(10)18/h2-8,15,21H,1H3
+CH$LINK: CAS 848-75-9
+CH$LINK: CHEMSPIDER 12750
+CH$LINK: INCHIKEY FJIKWRGCXUCUIG-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:13314
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.178 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+PK$SPLASH: splash10-000i-0009000000-c7e9683ab092cd1caed7
+PK$NUM_PEAK: 19
+PK$PEAK: m/z int. rel.int.
+  228.3 43375 37
+  251.3 12817 11
+  291.1 18018 15
+  335.2 1161869 999
+  336.2 186792 161
+  337.2 685383 589
+  338.2 137735 118
+  339.2 123228 106
+  340.1 18096 16
+  357.2 148727 128
+  358.2 42461 37
+  359.1 89544 77
+  360.0 12714 11
+  373.1 52752 45
+  375.1 25634 22
+  691.1 36833 32
+  693.1 62228 54
+  694.1 15374 13
+  695.2 16405 14
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01737.txt b/MSSJ/MSBNK-MSSJ-MSJ01737.txt
new file mode 100644
index 00000000000..5c5653a26af
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01737.txt
@@ -0,0 +1,40 @@
+ACCESSION: MSBNK-MSSJ-MSJ01737
+RECORD_TITLE: Lormetazepam; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 10 V; [M+H]+
+DATE: 2023.03.27
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230328-1.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Lormetazepam
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C16H12Cl2N2O2
+CH$EXACT_MASS: 334.027576
+CH$SMILES: CN1C2=C(C=C(C=C2)Cl)C(=NC(C1=O)O)C3=CC=CC=C3Cl
+CH$IUPAC: InChI=1S/C16H12Cl2N2O2/c1-20-13-7-6-9(17)8-11(13)14(19-15(21)16(20)22)10-4-2-3-5-12(10)18/h2-8,15,21H,1H3
+CH$LINK: CAS 848-75-9
+CH$LINK: CHEMSPIDER 12750
+CH$LINK: INCHIKEY FJIKWRGCXUCUIG-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:13314
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.178 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 335.034853
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-000i-0019000000-6e17213c952fd36f1737
+PK$NUM_PEAK: 3
+PK$PEAK: m/z int. rel.int.
+  289.1 66847 164
+  317.1 39607 97
+  335.1 408215 999
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01738.txt b/MSSJ/MSBNK-MSSJ-MSJ01738.txt
new file mode 100644
index 00000000000..33c3cfebb3c
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01738.txt
@@ -0,0 +1,44 @@
+ACCESSION: MSBNK-MSSJ-MSJ01738
+RECORD_TITLE: Lormetazepam; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 20 V; [M+H]+
+DATE: 2023.03.27
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230328-1.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Lormetazepam
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C16H12Cl2N2O2
+CH$EXACT_MASS: 334.027576
+CH$SMILES: CN1C2=C(C=C(C=C2)Cl)C(=NC(C1=O)O)C3=CC=CC=C3Cl
+CH$IUPAC: InChI=1S/C16H12Cl2N2O2/c1-20-13-7-6-9(17)8-11(13)14(19-15(21)16(20)22)10-4-2-3-5-12(10)18/h2-8,15,21H,1H3
+CH$LINK: CAS 848-75-9
+CH$LINK: CHEMSPIDER 12750
+CH$LINK: INCHIKEY FJIKWRGCXUCUIG-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:13314
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.178 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 335.034853
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-000i-0091000000-b952b2f820eeeb943a60
+PK$NUM_PEAK: 7
+PK$PEAK: m/z int. rel.int.
+  180.1 3512 10
+  243.2 4334 13
+  250.1 5772 17
+  262.1 12783 37
+  289.1 342211 999
+  317.1 27635 81
+  335.2 23590 69
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01739.txt b/MSSJ/MSBNK-MSSJ-MSJ01739.txt
new file mode 100644
index 00000000000..4007f6ea1e7
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01739.txt
@@ -0,0 +1,50 @@
+ACCESSION: MSBNK-MSSJ-MSJ01739
+RECORD_TITLE: Lormetazepam; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 30 V; [M+H]+
+DATE: 2023.03.27
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230328-1.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Lormetazepam
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C16H12Cl2N2O2
+CH$EXACT_MASS: 334.027576
+CH$SMILES: CN1C2=C(C=C(C=C2)Cl)C(=NC(C1=O)O)C3=CC=CC=C3Cl
+CH$IUPAC: InChI=1S/C16H12Cl2N2O2/c1-20-13-7-6-9(17)8-11(13)14(19-15(21)16(20)22)10-4-2-3-5-12(10)18/h2-8,15,21H,1H3
+CH$LINK: CAS 848-75-9
+CH$LINK: CHEMSPIDER 12750
+CH$LINK: INCHIKEY FJIKWRGCXUCUIG-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:13314
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.178 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 335.034853
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-000i-0090000000-f2e927b6518315917c15
+PK$NUM_PEAK: 13
+PK$PEAK: m/z int. rel.int.
+  111.2 2337 11
+  117.2 2744 13
+  138.2 3914 18
+  177.1 8272 38
+  213.1 3087 14
+  214.0 2482 11
+  227.0 7760 36
+  243.2 10417 48
+  250.1 5464 25
+  253.2 7256 34
+  262.2 7581 35
+  273.1 5032 23
+  289.1 216062 999
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01740.txt b/MSSJ/MSBNK-MSSJ-MSJ01740.txt
new file mode 100644
index 00000000000..be70b243686
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01740.txt
@@ -0,0 +1,87 @@
+ACCESSION: MSBNK-MSSJ-MSJ01740
+RECORD_TITLE: Lormetazepam; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 40 V; [M+H]+
+DATE: 2023.03.27
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230328-1.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Lormetazepam
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C16H12Cl2N2O2
+CH$EXACT_MASS: 334.027576
+CH$SMILES: CN1C2=C(C=C(C=C2)Cl)C(=NC(C1=O)O)C3=CC=CC=C3Cl
+CH$IUPAC: InChI=1S/C16H12Cl2N2O2/c1-20-13-7-6-9(17)8-11(13)14(19-15(21)16(20)22)10-4-2-3-5-12(10)18/h2-8,15,21H,1H3
+CH$LINK: CAS 848-75-9
+CH$LINK: CHEMSPIDER 12750
+CH$LINK: INCHIKEY FJIKWRGCXUCUIG-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:13314
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.178 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 335.034853
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-002r-0690000000-ab8b0c380655ad8129cc
+PK$NUM_PEAK: 50
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+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01741.txt b/MSSJ/MSBNK-MSSJ-MSJ01741.txt
new file mode 100644
index 00000000000..9cf5937ce7c
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01741.txt
@@ -0,0 +1,116 @@
+ACCESSION: MSBNK-MSSJ-MSJ01741
+RECORD_TITLE: Lormetazepam; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 50 V; [M+H]+
+DATE: 2023.03.27
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230328-1.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Lormetazepam
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C16H12Cl2N2O2
+CH$EXACT_MASS: 334.027576
+CH$SMILES: CN1C2=C(C=C(C=C2)Cl)C(=NC(C1=O)O)C3=CC=CC=C3Cl
+CH$IUPAC: InChI=1S/C16H12Cl2N2O2/c1-20-13-7-6-9(17)8-11(13)14(19-15(21)16(20)22)10-4-2-3-5-12(10)18/h2-8,15,21H,1H3
+CH$LINK: CAS 848-75-9
+CH$LINK: CHEMSPIDER 12750
+CH$LINK: INCHIKEY FJIKWRGCXUCUIG-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:13314
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.178 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 335.034853
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-01ti-1960000000-e57d584fb0aa5f1b2398
+PK$NUM_PEAK: 79
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+  289.1 17087 456
+  290.9 576 15
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01742.txt b/MSSJ/MSBNK-MSSJ-MSJ01742.txt
new file mode 100644
index 00000000000..965e98bf40d
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01742.txt
@@ -0,0 +1,205 @@
+ACCESSION: MSBNK-MSSJ-MSJ01742
+RECORD_TITLE: Lormetazepam; LC-ESI-QQ; MS; ESI; NEGATIVE
+DATE: 2023.03.27
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230328-1.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Lormetazepam
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C16H12Cl2N2O2
+CH$EXACT_MASS: 334.027576
+CH$SMILES: CN1C2=C(C=C(C=C2)Cl)C(=NC(C1=O)O)C3=CC=CC=C3Cl
+CH$IUPAC: InChI=1S/C16H12Cl2N2O2/c1-20-13-7-6-9(17)8-11(13)14(19-15(21)16(20)22)10-4-2-3-5-12(10)18/h2-8,15,21H,1H3
+CH$LINK: CAS 848-75-9
+CH$LINK: CHEMSPIDER 12750
+CH$LINK: INCHIKEY FJIKWRGCXUCUIG-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:13314
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.178 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+PK$SPLASH: splash10-001r-0239000000-84d89104b37ba42d9674
+PK$NUM_PEAK: 172
+PK$PEAK: m/z int. rel.int.
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+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01743.txt b/MSSJ/MSBNK-MSSJ-MSJ01743.txt
new file mode 100644
index 00000000000..e39d81695dd
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01743.txt
@@ -0,0 +1,48 @@
+ACCESSION: MSBNK-MSSJ-MSJ01743
+RECORD_TITLE: Lormetazepam; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 10 V; [M-H]-
+DATE: 2023.03.27
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230328-1.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Lormetazepam
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C16H12Cl2N2O2
+CH$EXACT_MASS: 334.027576
+CH$SMILES: CN1C2=C(C=C(C=C2)Cl)C(=NC(C1=O)O)C3=CC=CC=C3Cl
+CH$IUPAC: InChI=1S/C16H12Cl2N2O2/c1-20-13-7-6-9(17)8-11(13)14(19-15(21)16(20)22)10-4-2-3-5-12(10)18/h2-8,15,21H,1H3
+CH$LINK: CAS 848-75-9
+CH$LINK: CHEMSPIDER 12750
+CH$LINK: INCHIKEY FJIKWRGCXUCUIG-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:13314
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.178 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 333.020299
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+PK$SPLASH: splash10-053r-0029000000-131638680f5d05fef8a9
+PK$NUM_PEAK: 11
+PK$PEAK: m/z int. rel.int.
+  35.2 1079 25
+  42.2 3784 87
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+  239.9 753 17
+  276.0 13871 320
+  287.1 1885 43
+  297.1 1859 43
+  305.0 25677 593
+  333.0 43292 999
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01744.txt b/MSSJ/MSBNK-MSSJ-MSJ01744.txt
new file mode 100644
index 00000000000..3eb91546376
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01744.txt
@@ -0,0 +1,52 @@
+ACCESSION: MSBNK-MSSJ-MSJ01744
+RECORD_TITLE: Lormetazepam; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 20 V; [M-H]-
+DATE: 2023.03.27
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230328-1.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Lormetazepam
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C16H12Cl2N2O2
+CH$EXACT_MASS: 334.027576
+CH$SMILES: CN1C2=C(C=C(C=C2)Cl)C(=NC(C1=O)O)C3=CC=CC=C3Cl
+CH$IUPAC: InChI=1S/C16H12Cl2N2O2/c1-20-13-7-6-9(17)8-11(13)14(19-15(21)16(20)22)10-4-2-3-5-12(10)18/h2-8,15,21H,1H3
+CH$LINK: CAS 848-75-9
+CH$LINK: CHEMSPIDER 12750
+CH$LINK: INCHIKEY FJIKWRGCXUCUIG-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:13314
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.178 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 333.020299
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+PK$SPLASH: splash10-003f-8192000000-2a7c80b2d2a844142639
+PK$NUM_PEAK: 15
+PK$PEAK: m/z int. rel.int.
+  35.2 4774 733
+  42.2 6508 999
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+  282.0 3941 605
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+  303.6 753 116
+  304.8 1507 231
+  332.8 753 116
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01745.txt b/MSSJ/MSBNK-MSSJ-MSJ01745.txt
new file mode 100644
index 00000000000..c991572e63e
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01745.txt
@@ -0,0 +1,42 @@
+ACCESSION: MSBNK-MSSJ-MSJ01745
+RECORD_TITLE: Lormetazepam; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 30 V; [M-H]-
+DATE: 2023.03.27
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230328-1.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Lormetazepam
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C16H12Cl2N2O2
+CH$EXACT_MASS: 334.027576
+CH$SMILES: CN1C2=C(C=C(C=C2)Cl)C(=NC(C1=O)O)C3=CC=CC=C3Cl
+CH$IUPAC: InChI=1S/C16H12Cl2N2O2/c1-20-13-7-6-9(17)8-11(13)14(19-15(21)16(20)22)10-4-2-3-5-12(10)18/h2-8,15,21H,1H3
+CH$LINK: CAS 848-75-9
+CH$LINK: CHEMSPIDER 12750
+CH$LINK: INCHIKEY FJIKWRGCXUCUIG-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:13314
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.178 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 333.020299
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+PK$SPLASH: splash10-01ox-9730000000-45b91f3a674455d6b691
+PK$NUM_PEAK: 5
+PK$PEAK: m/z int. rel.int.
+  42.0 4345 999
+  164.9 2900 667
+  189.9 753 173
+  220.9 586 135
+  237.7 1013 233
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01746.txt b/MSSJ/MSBNK-MSSJ-MSJ01746.txt
new file mode 100644
index 00000000000..be993e73009
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01746.txt
@@ -0,0 +1,41 @@
+ACCESSION: MSBNK-MSSJ-MSJ01746
+RECORD_TITLE: Lormetazepam; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 40 V; [M-H]-
+DATE: 2023.03.27
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230328-1.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Lormetazepam
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C16H12Cl2N2O2
+CH$EXACT_MASS: 334.027576
+CH$SMILES: CN1C2=C(C=C(C=C2)Cl)C(=NC(C1=O)O)C3=CC=CC=C3Cl
+CH$IUPAC: InChI=1S/C16H12Cl2N2O2/c1-20-13-7-6-9(17)8-11(13)14(19-15(21)16(20)22)10-4-2-3-5-12(10)18/h2-8,15,21H,1H3
+CH$LINK: CAS 848-75-9
+CH$LINK: CHEMSPIDER 12750
+CH$LINK: INCHIKEY FJIKWRGCXUCUIG-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:13314
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.178 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 333.020299
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+PK$SPLASH: splash10-0006-9010000000-99959233cfdcb100cd87
+PK$NUM_PEAK: 4
+PK$PEAK: m/z int. rel.int.
+  35.1 2519 485
+  42.0 5193 999
+  220.5 376 72
+  281.1 753 145
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01747.txt b/MSSJ/MSBNK-MSSJ-MSJ01747.txt
new file mode 100644
index 00000000000..30f2d74cddd
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01747.txt
@@ -0,0 +1,42 @@
+ACCESSION: MSBNK-MSSJ-MSJ01747
+RECORD_TITLE: Lormetazepam; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 50 V; [M-H]-
+DATE: 2023.03.27
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230328-1.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Lormetazepam
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C16H12Cl2N2O2
+CH$EXACT_MASS: 334.027576
+CH$SMILES: CN1C2=C(C=C(C=C2)Cl)C(=NC(C1=O)O)C3=CC=CC=C3Cl
+CH$IUPAC: InChI=1S/C16H12Cl2N2O2/c1-20-13-7-6-9(17)8-11(13)14(19-15(21)16(20)22)10-4-2-3-5-12(10)18/h2-8,15,21H,1H3
+CH$LINK: CAS 848-75-9
+CH$LINK: CHEMSPIDER 12750
+CH$LINK: INCHIKEY FJIKWRGCXUCUIG-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:13314
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.178 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 333.020299
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+PK$SPLASH: splash10-0006-9000000000-34918e2dcfb4f45cc895
+PK$NUM_PEAK: 5
+PK$PEAK: m/z int. rel.int.
+  35.1 376 117
+  42.1 3224 999
+  61.6 753 233
+  74.2 376 117
+  111.0 376 117
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01748.txt b/MSSJ/MSBNK-MSSJ-MSJ01748.txt
new file mode 100644
index 00000000000..0d8331e28da
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01748.txt
@@ -0,0 +1,53 @@
+ACCESSION: MSBNK-MSSJ-MSJ01748
+RECORD_TITLE: Rilmazafone; LC-ESI-QQ; MS; ESI; POSITIVE
+DATE: 2023.03.27
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230328-1.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Rilmazafone
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C21H20Cl2N6O3
+CH$EXACT_MASS: 474.097371
+CH$SMILES: CN(C)C(=O)C1=NN(C(=N1)CNC(=O)CN)C2=C(C=C(C=C2)Cl)C(=O)C3=CC=CC=C3Cl
+CH$IUPAC: InChI=1S/C21H20Cl2N6O3/c1-28(2)21(32)20-26-17(11-25-18(30)10-24)29(27-20)16-8-7-12(22)9-14(16)19(31)13-5-3-4-6-15(13)23/h3-9H,10-11,24H2,1-2H3,(H,25,30)
+CH$LINK: CAS 99593-25-6
+CH$LINK: CHEMSPIDER 4891
+CH$LINK: INCHIKEY KYHFRCPLIGODFH-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:5069
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.244 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+PK$SPLASH: splash10-004i-0000900000-f5d40fc69685d9002ff9
+PK$NUM_PEAK: 20
+PK$PEAK: m/z int. rel.int.
+  244.3 54969 27
+  389.1 20904 10
+  418.2 33148 16
+  420.3 33492 16
+  475.2 2067800 999
+  476.2 592327 286
+  477.2 1414984 684
+  478.3 396690 192
+  479.3 272222 132
+  480.2 82826 40
+  481.2 32608 16
+  497.2 320188 155
+  498.2 92714 45
+  499.2 251309 121
+  500.2 67041 32
+  501.2 76148 37
+  513.2 132950 64
+  514.2 27147 13
+  515.1 102531 50
+  516.2 31917 15
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01749.txt b/MSSJ/MSBNK-MSSJ-MSJ01749.txt
new file mode 100644
index 00000000000..b96fcec9666
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01749.txt
@@ -0,0 +1,39 @@
+ACCESSION: MSBNK-MSSJ-MSJ01749
+RECORD_TITLE: Rilmazafone; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 10 V; [M+H]+
+DATE: 2023.03.27
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230328-1.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Rilmazafone
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C21H20Cl2N6O3
+CH$EXACT_MASS: 474.097371
+CH$SMILES: CN(C)C(=O)C1=NN(C(=N1)CNC(=O)CN)C2=C(C=C(C=C2)Cl)C(=O)C3=CC=CC=C3Cl
+CH$IUPAC: InChI=1S/C21H20Cl2N6O3/c1-28(2)21(32)20-26-17(11-25-18(30)10-24)29(27-20)16-8-7-12(22)9-14(16)19(31)13-5-3-4-6-15(13)23/h3-9H,10-11,24H2,1-2H3,(H,25,30)
+CH$LINK: CAS 99593-25-6
+CH$LINK: CHEMSPIDER 4891
+CH$LINK: INCHIKEY KYHFRCPLIGODFH-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:5069
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.244 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 475.104648
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-004i-0000900000-0e236a48e0d75c65d209
+PK$NUM_PEAK: 2
+PK$PEAK: m/z int. rel.int.
+  418.3 28121 81
+  475.3 345735 999
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01750.txt b/MSSJ/MSBNK-MSSJ-MSJ01750.txt
new file mode 100644
index 00000000000..8b363ed3654
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01750.txt
@@ -0,0 +1,41 @@
+ACCESSION: MSBNK-MSSJ-MSJ01750
+RECORD_TITLE: Rilmazafone; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 20 V; [M+H]+
+DATE: 2023.03.27
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230328-1.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Rilmazafone
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C21H20Cl2N6O3
+CH$EXACT_MASS: 474.097371
+CH$SMILES: CN(C)C(=O)C1=NN(C(=N1)CNC(=O)CN)C2=C(C=C(C=C2)Cl)C(=O)C3=CC=CC=C3Cl
+CH$IUPAC: InChI=1S/C21H20Cl2N6O3/c1-28(2)21(32)20-26-17(11-25-18(30)10-24)29(27-20)16-8-7-12(22)9-14(16)19(31)13-5-3-4-6-15(13)23/h3-9H,10-11,24H2,1-2H3,(H,25,30)
+CH$LINK: CAS 99593-25-6
+CH$LINK: CHEMSPIDER 4891
+CH$LINK: INCHIKEY KYHFRCPLIGODFH-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:5069
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.244 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 475.104648
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-014i-0001900000-b0b45fb99679c884b7b8
+PK$NUM_PEAK: 4
+PK$PEAK: m/z int. rel.int.
+  389.2 30020 195
+  401.1 1821 12
+  418.3 153974 999
+  475.3 56235 365
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01751.txt b/MSSJ/MSBNK-MSSJ-MSJ01751.txt
new file mode 100644
index 00000000000..39dd179f200
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01751.txt
@@ -0,0 +1,48 @@
+ACCESSION: MSBNK-MSSJ-MSJ01751
+RECORD_TITLE: Rilmazafone; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 30 V; [M+H]+
+DATE: 2023.03.27
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230328-1.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Rilmazafone
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C21H20Cl2N6O3
+CH$EXACT_MASS: 474.097371
+CH$SMILES: CN(C)C(=O)C1=NN(C(=N1)CNC(=O)CN)C2=C(C=C(C=C2)Cl)C(=O)C3=CC=CC=C3Cl
+CH$IUPAC: InChI=1S/C21H20Cl2N6O3/c1-28(2)21(32)20-26-17(11-25-18(30)10-24)29(27-20)16-8-7-12(22)9-14(16)19(31)13-5-3-4-6-15(13)23/h3-9H,10-11,24H2,1-2H3,(H,25,30)
+CH$LINK: CAS 99593-25-6
+CH$LINK: CHEMSPIDER 4891
+CH$LINK: INCHIKEY KYHFRCPLIGODFH-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:5069
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.244 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 475.104648
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-00kr-0009500000-a1667337e115275d4004
+PK$NUM_PEAK: 11
+PK$PEAK: m/z int. rel.int.
+  125.1 2375 43
+  151.9 606 11
+  276.1 1214 22
+  344.2 17676 317
+  356.3 2431 44
+  372.9 1514 27
+  389.2 55619 999
+  400.2 606 11
+  401.0 9193 165
+  418.2 33107 595
+  428.2 606 11
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01752.txt b/MSSJ/MSBNK-MSSJ-MSJ01752.txt
new file mode 100644
index 00000000000..53c49426dd5
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01752.txt
@@ -0,0 +1,65 @@
+ACCESSION: MSBNK-MSSJ-MSJ01752
+RECORD_TITLE: Rilmazafone; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 40 V; [M+H]+
+DATE: 2023.03.27
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230328-1.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Rilmazafone
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C21H20Cl2N6O3
+CH$EXACT_MASS: 474.097371
+CH$SMILES: CN(C)C(=O)C1=NN(C(=N1)CNC(=O)CN)C2=C(C=C(C=C2)Cl)C(=O)C3=CC=CC=C3Cl
+CH$IUPAC: InChI=1S/C21H20Cl2N6O3/c1-28(2)21(32)20-26-17(11-25-18(30)10-24)29(27-20)16-8-7-12(22)9-14(16)19(31)13-5-3-4-6-15(13)23/h3-9H,10-11,24H2,1-2H3,(H,25,30)
+CH$LINK: CAS 99593-25-6
+CH$LINK: CHEMSPIDER 4891
+CH$LINK: INCHIKEY KYHFRCPLIGODFH-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:5069
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.244 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 475.104648
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-0006-0019000000-a05d2088c81007a056e9
+PK$NUM_PEAK: 28
+PK$PEAK: m/z int. rel.int.
+  44.3 1424 25
+  72.3 2874 51
+  102.3 1214 21
+  123.9 606 11
+  124.9 606 11
+  139.3 1214 21
+  190.9 606 11
+  194.2 606 11
+  234.3 1214 21
+  254.8 2431 43
+  273.2 3646 64
+  274.9 3652 65
+  277.2 2431 43
+  291.2 3270 58
+  299.8 1214 21
+  308.1 2321 41
+  316.3 1178 21
+  327.0 606 11
+  344.1 56502 999
+  346.2 606 11
+  355.9 5629 100
+  357.7 606 11
+  373.3 606 11
+  387.6 1214 21
+  389.2 22490 398
+  401.1 2542 45
+  418.1 2846 50
+  458.2 971 17
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01753.txt b/MSSJ/MSBNK-MSSJ-MSJ01753.txt
new file mode 100644
index 00000000000..d924593bcfa
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01753.txt
@@ -0,0 +1,73 @@
+ACCESSION: MSBNK-MSSJ-MSJ01753
+RECORD_TITLE: Rilmazafone; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 50 V; [M+H]+
+DATE: 2023.03.27
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230328-1.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Rilmazafone
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C21H20Cl2N6O3
+CH$EXACT_MASS: 474.097371
+CH$SMILES: CN(C)C(=O)C1=NN(C(=N1)CNC(=O)CN)C2=C(C=C(C=C2)Cl)C(=O)C3=CC=CC=C3Cl
+CH$IUPAC: InChI=1S/C21H20Cl2N6O3/c1-28(2)21(32)20-26-17(11-25-18(30)10-24)29(27-20)16-8-7-12(22)9-14(16)19(31)13-5-3-4-6-15(13)23/h3-9H,10-11,24H2,1-2H3,(H,25,30)
+CH$LINK: CAS 99593-25-6
+CH$LINK: CHEMSPIDER 4891
+CH$LINK: INCHIKEY KYHFRCPLIGODFH-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:5069
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.244 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 475.104648
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-0006-1629000000-e5c950e5c2ca33e5b95b
+PK$NUM_PEAK: 36
+PK$PEAK: m/z int. rel.int.
+  72.3 6072 157
+  90.1 606 16
+  111.4 1633 42
+  114.3 1214 31
+  118.4 1214 31
+  124.3 3853 100
+  125.2 15647 405
+  137.9 1214 31
+  139.1 9648 250
+  154.2 2431 63
+  163.2 606 16
+  166.0 2498 65
+  186.1 1656 43
+  190.0 606 16
+  200.2 1214 31
+  212.2 606 16
+  213.3 1214 31
+  214.1 2431 63
+  228.2 485 13
+  229.2 1159 30
+  240.2 1214 31
+  254.1 3646 94
+  254.9 1214 31
+  256.1 1214 31
+  264.4 1214 31
+  265.3 971 25
+  273.2 1214 31
+  280.2 606 16
+  308.2 8083 209
+  344.1 38619 999
+  355.8 3035 79
+  357.9 606 16
+  365.0 2431 63
+  372.3 1214 31
+  388.9 4725 122
+  417.9 1424 37
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01754.txt b/MSSJ/MSBNK-MSSJ-MSJ01754.txt
new file mode 100644
index 00000000000..e1a9bffa847
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01754.txt
@@ -0,0 +1,61 @@
+ACCESSION: MSBNK-MSSJ-MSJ01754
+RECORD_TITLE: Rilmazafone; LC-ESI-QQ; MS; ESI; NEGATIVE
+DATE: 2023.03.27
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230328-1.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Rilmazafone
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C21H20Cl2N6O3
+CH$EXACT_MASS: 474.097371
+CH$SMILES: CN(C)C(=O)C1=NN(C(=N1)CNC(=O)CN)C2=C(C=C(C=C2)Cl)C(=O)C3=CC=CC=C3Cl
+CH$IUPAC: InChI=1S/C21H20Cl2N6O3/c1-28(2)21(32)20-26-17(11-25-18(30)10-24)29(27-20)16-8-7-12(22)9-14(16)19(31)13-5-3-4-6-15(13)23/h3-9H,10-11,24H2,1-2H3,(H,25,30)
+CH$LINK: CAS 99593-25-6
+CH$LINK: CHEMSPIDER 4891
+CH$LINK: INCHIKEY KYHFRCPLIGODFH-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:5069
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.244 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+PK$SPLASH: splash10-00fr-0000960000-a16f48c6c76257ef5c28
+PK$NUM_PEAK: 28
+PK$PEAK: m/z int. rel.int.
+  228.0 43670 16
+  242.2 147321 54
+  303.0 27582 10
+  361.1 67905 25
+  416.2 27954 10
+  455.2 110914 41
+  457.1 112801 41
+  473.2 2734204 999
+  474.2 663387 242
+  475.1 1689385 617
+  476.1 428594 157
+  477.1 305809 112
+  478.1 91401 33
+  509.1 300756 110
+  510.1 85495 31
+  511.1 271349 99
+  512.2 62423 23
+  513.1 107634 39
+  519.2 1585653 579
+  520.2 421383 154
+  521.1 1000643 366
+  522.2 240261 88
+  523.2 200505 73
+  524.2 52402 19
+  536.1 29464 11
+  563.2 89797 33
+  564.2 51691 19
+  565.2 64034 23
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01755.txt b/MSSJ/MSBNK-MSSJ-MSJ01755.txt
new file mode 100644
index 00000000000..8dd24b68d69
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01755.txt
@@ -0,0 +1,46 @@
+ACCESSION: MSBNK-MSSJ-MSJ01755
+RECORD_TITLE: Rilmazafone; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 10 V; [M-H]-
+DATE: 2023.03.27
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230328-1.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Rilmazafone
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C21H20Cl2N6O3
+CH$EXACT_MASS: 474.097371
+CH$SMILES: CN(C)C(=O)C1=NN(C(=N1)CNC(=O)CN)C2=C(C=C(C=C2)Cl)C(=O)C3=CC=CC=C3Cl
+CH$IUPAC: InChI=1S/C21H20Cl2N6O3/c1-28(2)21(32)20-26-17(11-25-18(30)10-24)29(27-20)16-8-7-12(22)9-14(16)19(31)13-5-3-4-6-15(13)23/h3-9H,10-11,24H2,1-2H3,(H,25,30)
+CH$LINK: CAS 99593-25-6
+CH$LINK: CHEMSPIDER 4891
+CH$LINK: INCHIKEY KYHFRCPLIGODFH-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:5069
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.244 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 473.090094
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+PK$SPLASH: splash10-00di-0001900000-506a38ae73cdb4676eda
+PK$NUM_PEAK: 9
+PK$PEAK: m/z int. rel.int.
+  209.0 3167 13
+  228.1 12099 50
+  264.1 3312 14
+  303.0 46323 190
+  321.0 6688 28
+  360.9 2679 11
+  416.1 17827 73
+  455.1 22704 93
+  473.2 242937 999
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01756.txt b/MSSJ/MSBNK-MSSJ-MSJ01756.txt
new file mode 100644
index 00000000000..b9aba33eb65
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01756.txt
@@ -0,0 +1,58 @@
+ACCESSION: MSBNK-MSSJ-MSJ01756
+RECORD_TITLE: Rilmazafone; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 20 V; [M-H]-
+DATE: 2023.03.27
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230328-1.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Rilmazafone
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C21H20Cl2N6O3
+CH$EXACT_MASS: 474.097371
+CH$SMILES: CN(C)C(=O)C1=NN(C(=N1)CNC(=O)CN)C2=C(C=C(C=C2)Cl)C(=O)C3=CC=CC=C3Cl
+CH$IUPAC: InChI=1S/C21H20Cl2N6O3/c1-28(2)21(32)20-26-17(11-25-18(30)10-24)29(27-20)16-8-7-12(22)9-14(16)19(31)13-5-3-4-6-15(13)23/h3-9H,10-11,24H2,1-2H3,(H,25,30)
+CH$LINK: CAS 99593-25-6
+CH$LINK: CHEMSPIDER 4891
+CH$LINK: INCHIKEY KYHFRCPLIGODFH-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:5069
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.244 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 473.090094
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+PK$SPLASH: splash10-0ufr-0059200000-ade4d70e59948f3dcd8e
+PK$NUM_PEAK: 21
+PK$PEAK: m/z int. rel.int.
+  35.4 3663 43
+  163.7 911 11
+  165.0 953 11
+  179.9 953 11
+  208.1 1263 15
+  209.0 4570 54
+  228.1 54598 640
+  241.1 2410 28
+  260.1 2495 29
+  267.1 1326 16
+  303.0 85266 999
+  321.1 15443 181
+  361.2 1465 17
+  380.3 1910 22
+  412.2 1604 19
+  416.2 9537 112
+  420.0 953 11
+  429.2 953 11
+  455.1 7509 88
+  473.2 7172 84
+  474.0 953 11
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01757.txt b/MSSJ/MSBNK-MSSJ-MSJ01757.txt
new file mode 100644
index 00000000000..7542b1b3662
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01757.txt
@@ -0,0 +1,54 @@
+ACCESSION: MSBNK-MSSJ-MSJ01757
+RECORD_TITLE: Rilmazafone; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 30 V; [M-H]-
+DATE: 2023.03.27
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230328-1.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Rilmazafone
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C21H20Cl2N6O3
+CH$EXACT_MASS: 474.097371
+CH$SMILES: CN(C)C(=O)C1=NN(C(=N1)CNC(=O)CN)C2=C(C=C(C=C2)Cl)C(=O)C3=CC=CC=C3Cl
+CH$IUPAC: InChI=1S/C21H20Cl2N6O3/c1-28(2)21(32)20-26-17(11-25-18(30)10-24)29(27-20)16-8-7-12(22)9-14(16)19(31)13-5-3-4-6-15(13)23/h3-9H,10-11,24H2,1-2H3,(H,25,30)
+CH$LINK: CAS 99593-25-6
+CH$LINK: CHEMSPIDER 4891
+CH$LINK: INCHIKEY KYHFRCPLIGODFH-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:5069
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.244 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 473.090094
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+PK$SPLASH: splash10-0fb9-0094000000-5e40e7e3bbf3c7715949
+PK$NUM_PEAK: 17
+PK$PEAK: m/z int. rel.int.
+  35.2 7844 106
+  146.1 911 12
+  166.1 742 10
+  180.3 953 13
+  208.1 1614 22
+  209.0 22845 309
+  228.0 73828 999
+  231.1 953 13
+  260.0 3604 49
+  267.1 10038 136
+  303.1 42865 580
+  304.1 5122 69
+  317.0 953 13
+  320.7 1147 16
+  361.1 2869 39
+  392.2 953 13
+  415.6 953 13
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01758.txt b/MSSJ/MSBNK-MSSJ-MSJ01758.txt
new file mode 100644
index 00000000000..62fa4e6d7e1
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01758.txt
@@ -0,0 +1,47 @@
+ACCESSION: MSBNK-MSSJ-MSJ01758
+RECORD_TITLE: Rilmazafone; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 40 V; [M-H]-
+DATE: 2023.03.27
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230328-1.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Rilmazafone
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C21H20Cl2N6O3
+CH$EXACT_MASS: 474.097371
+CH$SMILES: CN(C)C(=O)C1=NN(C(=N1)CNC(=O)CN)C2=C(C=C(C=C2)Cl)C(=O)C3=CC=CC=C3Cl
+CH$IUPAC: InChI=1S/C21H20Cl2N6O3/c1-28(2)21(32)20-26-17(11-25-18(30)10-24)29(27-20)16-8-7-12(22)9-14(16)19(31)13-5-3-4-6-15(13)23/h3-9H,10-11,24H2,1-2H3,(H,25,30)
+CH$LINK: CAS 99593-25-6
+CH$LINK: CHEMSPIDER 4891
+CH$LINK: INCHIKEY KYHFRCPLIGODFH-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:5069
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.244 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 473.090094
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+PK$SPLASH: splash10-004i-0091000000-a44f06e0b240180d488f
+PK$NUM_PEAK: 10
+PK$PEAK: m/z int. rel.int.
+  35.1 4359 81
+  192.2 951 18
+  209.0 9341 173
+  228.0 53930 999
+  231.1 2237 41
+  260.0 1570 29
+  267.0 10291 191
+  268.2 953 18
+  303.1 7974 148
+  304.2 4765 88
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01759.txt b/MSSJ/MSBNK-MSSJ-MSJ01759.txt
new file mode 100644
index 00000000000..934ab396c30
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01759.txt
@@ -0,0 +1,55 @@
+ACCESSION: MSBNK-MSSJ-MSJ01759
+RECORD_TITLE: Rilmazafone; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 50 V; [M-H]-
+DATE: 2023.03.27
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230328-1.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Rilmazafone
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C21H20Cl2N6O3
+CH$EXACT_MASS: 474.097371
+CH$SMILES: CN(C)C(=O)C1=NN(C(=N1)CNC(=O)CN)C2=C(C=C(C=C2)Cl)C(=O)C3=CC=CC=C3Cl
+CH$IUPAC: InChI=1S/C21H20Cl2N6O3/c1-28(2)21(32)20-26-17(11-25-18(30)10-24)29(27-20)16-8-7-12(22)9-14(16)19(31)13-5-3-4-6-15(13)23/h3-9H,10-11,24H2,1-2H3,(H,25,30)
+CH$LINK: CAS 99593-25-6
+CH$LINK: CHEMSPIDER 4891
+CH$LINK: INCHIKEY KYHFRCPLIGODFH-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:5069
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.244 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 473.090094
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+PK$SPLASH: splash10-004r-2291000000-e19d788f05debdb3857d
+PK$NUM_PEAK: 18
+PK$PEAK: m/z int. rel.int.
+  26.1 476 23
+  35.3 10412 505
+  151.8 953 46
+  163.8 1157 56
+  164.9 476 23
+  165.7 953 46
+  172.8 1739 84
+  182.0 742 36
+  192.1 3097 150
+  203.6 953 46
+  209.0 2880 140
+  218.0 953 46
+  228.1 20580 999
+  231.0 1484 72
+  232.0 869 42
+  267.0 6118 297
+  304.1 2951 143
+  390.3 953 46
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01760.txt b/MSSJ/MSBNK-MSSJ-MSJ01760.txt
new file mode 100644
index 00000000000..77fc3ffc7f0
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01760.txt
@@ -0,0 +1,45 @@
+ACCESSION: MSBNK-MSSJ-MSJ01760
+RECORD_TITLE: Rilmazafone; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 10 V; [M+HCO2-]-
+DATE: 2023.03.27
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230328-1.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Rilmazafone
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C21H20Cl2N6O3
+CH$EXACT_MASS: 474.097371
+CH$SMILES: CN(C)C(=O)C1=NN(C(=N1)CNC(=O)CN)C2=C(C=C(C=C2)Cl)C(=O)C3=CC=CC=C3Cl
+CH$IUPAC: InChI=1S/C21H20Cl2N6O3/c1-28(2)21(32)20-26-17(11-25-18(30)10-24)29(27-20)16-8-7-12(22)9-14(16)19(31)13-5-3-4-6-15(13)23/h3-9H,10-11,24H2,1-2H3,(H,25,30)
+CH$LINK: CAS 99593-25-6
+CH$LINK: CHEMSPIDER 4891
+CH$LINK: INCHIKEY KYHFRCPLIGODFH-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:5069
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.244 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 519.095574
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+HCO2]-
+PK$SPLASH: splash10-00di-0000930000-2a823570d87d0d92f39b
+PK$NUM_PEAK: 8
+PK$PEAK: m/z int. rel.int.
+  45.2 5212 17
+  228.0 4216 14
+  303.0 17821 59
+  320.9 6206 21
+  416.1 4441 15
+  455.0 19798 66
+  473.1 301914 999
+  519.1 123731 409
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01761.txt b/MSSJ/MSBNK-MSSJ-MSJ01761.txt
new file mode 100644
index 00000000000..628899edffd
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01761.txt
@@ -0,0 +1,51 @@
+ACCESSION: MSBNK-MSSJ-MSJ01761
+RECORD_TITLE: Rilmazafone; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 20 V; [M+HCO2-]-
+DATE: 2023.03.27
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230328-1.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Rilmazafone
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C21H20Cl2N6O3
+CH$EXACT_MASS: 474.097371
+CH$SMILES: CN(C)C(=O)C1=NN(C(=N1)CNC(=O)CN)C2=C(C=C(C=C2)Cl)C(=O)C3=CC=CC=C3Cl
+CH$IUPAC: InChI=1S/C21H20Cl2N6O3/c1-28(2)21(32)20-26-17(11-25-18(30)10-24)29(27-20)16-8-7-12(22)9-14(16)19(31)13-5-3-4-6-15(13)23/h3-9H,10-11,24H2,1-2H3,(H,25,30)
+CH$LINK: CAS 99593-25-6
+CH$LINK: CHEMSPIDER 4891
+CH$LINK: INCHIKEY KYHFRCPLIGODFH-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:5069
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.244 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 519.095574
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+HCO2]-
+PK$SPLASH: splash10-0uk9-0019600000-7208501c5bf7d97c613f
+PK$NUM_PEAK: 14
+PK$PEAK: m/z int. rel.int.
+  35.2 2234 18
+  45.2 10558 87
+  208.3 3262 27
+  209.0 4462 37
+  228.0 14192 116
+  301.6 1595 13
+  303.0 121897 999
+  321.0 18491 152
+  361.1 4439 36
+  411.8 2297 19
+  416.1 20981 172
+  429.2 1325 11
+  455.1 26503 217
+  473.1 52914 434
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01762.txt b/MSSJ/MSBNK-MSSJ-MSJ01762.txt
new file mode 100644
index 00000000000..14be648028d
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01762.txt
@@ -0,0 +1,53 @@
+ACCESSION: MSBNK-MSSJ-MSJ01762
+RECORD_TITLE: Rilmazafone; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 30 V; [M+HCO2-]-
+DATE: 2023.03.27
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230328-1.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Rilmazafone
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C21H20Cl2N6O3
+CH$EXACT_MASS: 474.097371
+CH$SMILES: CN(C)C(=O)C1=NN(C(=N1)CNC(=O)CN)C2=C(C=C(C=C2)Cl)C(=O)C3=CC=CC=C3Cl
+CH$IUPAC: InChI=1S/C21H20Cl2N6O3/c1-28(2)21(32)20-26-17(11-25-18(30)10-24)29(27-20)16-8-7-12(22)9-14(16)19(31)13-5-3-4-6-15(13)23/h3-9H,10-11,24H2,1-2H3,(H,25,30)
+CH$LINK: CAS 99593-25-6
+CH$LINK: CHEMSPIDER 4891
+CH$LINK: INCHIKEY KYHFRCPLIGODFH-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:5069
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.244 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 519.095574
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+HCO2]-
+PK$SPLASH: splash10-0ufr-1079000000-8a873ed7b0c642f12693
+PK$NUM_PEAK: 16
+PK$PEAK: m/z int. rel.int.
+  35.2 10918 112
+  45.2 13193 136
+  165.7 1130 12
+  180.7 1696 17
+  181.9 2160 22
+  209.0 9959 102
+  228.0 76531 786
+  259.9 4927 51
+  267.0 6067 62
+  275.9 1130 12
+  303.0 97220 999
+  304.2 1620 17
+  320.9 16626 171
+  360.9 3141 32
+  391.9 1130 12
+  415.9 2424 25
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01763.txt b/MSSJ/MSBNK-MSSJ-MSJ01763.txt
new file mode 100644
index 00000000000..f67a6261361
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01763.txt
@@ -0,0 +1,48 @@
+ACCESSION: MSBNK-MSSJ-MSJ01763
+RECORD_TITLE: Rilmazafone; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 40 V; [M+HCO2-]-
+DATE: 2023.03.27
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230328-1.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Rilmazafone
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C21H20Cl2N6O3
+CH$EXACT_MASS: 474.097371
+CH$SMILES: CN(C)C(=O)C1=NN(C(=N1)CNC(=O)CN)C2=C(C=C(C=C2)Cl)C(=O)C3=CC=CC=C3Cl
+CH$IUPAC: InChI=1S/C21H20Cl2N6O3/c1-28(2)21(32)20-26-17(11-25-18(30)10-24)29(27-20)16-8-7-12(22)9-14(16)19(31)13-5-3-4-6-15(13)23/h3-9H,10-11,24H2,1-2H3,(H,25,30)
+CH$LINK: CAS 99593-25-6
+CH$LINK: CHEMSPIDER 4891
+CH$LINK: INCHIKEY KYHFRCPLIGODFH-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:5069
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.244 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 519.095574
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+HCO2]-
+PK$SPLASH: splash10-004i-2091000000-ebc5ce09b7dd5e596bf7
+PK$NUM_PEAK: 11
+PK$PEAK: m/z int. rel.int.
+  35.1 9489 166
+  45.2 16060 281
+  178.0 1016 18
+  181.9 1130 20
+  209.1 17941 314
+  228.0 57153 999
+  260.0 2431 42
+  266.9 6105 107
+  301.4 1130 20
+  303.0 16134 282
+  304.1 1079 19
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01764.txt b/MSSJ/MSBNK-MSSJ-MSJ01764.txt
new file mode 100644
index 00000000000..c715b4a718e
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01764.txt
@@ -0,0 +1,52 @@
+ACCESSION: MSBNK-MSSJ-MSJ01764
+RECORD_TITLE: Rilmazafone; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 50 V; [M+HCO2-]-
+DATE: 2023.03.27
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230328-1.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Rilmazafone
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C21H20Cl2N6O3
+CH$EXACT_MASS: 474.097371
+CH$SMILES: CN(C)C(=O)C1=NN(C(=N1)CNC(=O)CN)C2=C(C=C(C=C2)Cl)C(=O)C3=CC=CC=C3Cl
+CH$IUPAC: InChI=1S/C21H20Cl2N6O3/c1-28(2)21(32)20-26-17(11-25-18(30)10-24)29(27-20)16-8-7-12(22)9-14(16)19(31)13-5-3-4-6-15(13)23/h3-9H,10-11,24H2,1-2H3,(H,25,30)
+CH$LINK: CAS 99593-25-6
+CH$LINK: CHEMSPIDER 4891
+CH$LINK: INCHIKEY KYHFRCPLIGODFH-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:5069
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.244 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 519.095574
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+HCO2]-
+PK$SPLASH: splash10-004i-2090000000-e91dfb0413312dee3ccd
+PK$NUM_PEAK: 15
+PK$PEAK: m/z int. rel.int.
+  35.3 7528 140
+  45.0 12666 236
+  144.9 1130 21
+  152.2 564 11
+  164.7 1130 21
+  172.6 564 11
+  191.9 564 11
+  208.9 6952 130
+  228.0 53573 999
+  230.8 1130 21
+  259.8 1695 32
+  267.1 7200 134
+  303.1 3955 74
+  304.1 1127 21
+  321.1 1130 21
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01765.txt b/MSSJ/MSBNK-MSSJ-MSJ01765.txt
new file mode 100644
index 00000000000..99f22416a3c
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01765.txt
@@ -0,0 +1,51 @@
+ACCESSION: MSBNK-MSSJ-MSJ01765
+RECORD_TITLE: Acetazolamide; LC-ESI-QQ; MS; ESI; POSITIVE
+DATE: 2023.03.28
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230328-2.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Acetazolamide
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C4H6N4O3S2
+CH$EXACT_MASS: 221.988117
+CH$SMILES: CC(=O)NC1=NN=C(S1)S(=O)(=O)N
+CH$IUPAC: InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9)
+CH$LINK: CAS 59-66-5
+CH$LINK: CHEMSPIDER 1909
+CH$LINK: INCHIKEY BZKPWHYZMXOIDC-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:1986
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.122  min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+PK$SPLASH: splash10-00di-0090000000-3900d596604ddc387adb
+PK$NUM_PEAK: 18
+PK$PEAK: m/z int. rel.int.
+  181.1 41033 24
+  223.1 1689292 999
+  224.1 133946 79
+  225.1 157023 93
+  240.1 39568 23
+  245.1 715303 423
+  246.1 47352 28
+  247.1 60025 35
+  261.0 220073 130
+  263.1 39711 23
+  445.1 57714 34
+  467.1 161646 96
+  468.1 25530 15
+  469.1 29353 17
+  499.0 21228 13
+  501.0 21558 13
+  535.0 18338 11
+  537.0 19468 12
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01766.txt b/MSSJ/MSBNK-MSSJ-MSJ01766.txt
new file mode 100644
index 00000000000..2050e7139da
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01766.txt
@@ -0,0 +1,41 @@
+ACCESSION: MSBNK-MSSJ-MSJ01766
+RECORD_TITLE: Acetazolamide; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 10 V; [M+H]+
+DATE: 2023.03.28
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230328-2.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Acetazolamide
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C4H6N4O3S2
+CH$EXACT_MASS: 221.988117
+CH$SMILES: CC(=O)NC1=NN=C(S1)S(=O)(=O)N
+CH$IUPAC: InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9)
+CH$LINK: CAS 59-66-5
+CH$LINK: CHEMSPIDER 1909
+CH$LINK: INCHIKEY BZKPWHYZMXOIDC-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:1986
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.122 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 222.995394
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-00di-0490000000-5f4c5dd7e76e221aac1b
+PK$NUM_PEAK: 4
+PK$PEAK: m/z int. rel.int.
+  164.1 66894 47
+  181.1 673468 475
+  206.1 24463 17
+  223.1 1415457 999
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01767.txt b/MSSJ/MSBNK-MSSJ-MSJ01767.txt
new file mode 100644
index 00000000000..02334ea20e0
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01767.txt
@@ -0,0 +1,46 @@
+ACCESSION: MSBNK-MSSJ-MSJ01767
+RECORD_TITLE: Acetazolamide; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 20 V; [M+H]+
+DATE: 2023.03.28
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230328-2.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Acetazolamide
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C4H6N4O3S2
+CH$EXACT_MASS: 221.988117
+CH$SMILES: CC(=O)NC1=NN=C(S1)S(=O)(=O)N
+CH$IUPAC: InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9)
+CH$LINK: CAS 59-66-5
+CH$LINK: CHEMSPIDER 1909
+CH$LINK: INCHIKEY BZKPWHYZMXOIDC-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:1986
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.122 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 222.995394
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-01q9-0900000000-4763cf41df64f3de5b01
+PK$NUM_PEAK: 9
+PK$PEAK: m/z int. rel.int.
+  43.3 15676 22
+  44.2 7898 11
+  73.2 24027 33
+  100.1 23897 33
+  164.0 534658 745
+  181.1 717315 999
+  182.1 12659 18
+  206.0 22461 31
+  223.1 83025 116
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01768.txt b/MSSJ/MSBNK-MSSJ-MSJ01768.txt
new file mode 100644
index 00000000000..50eea6c4582
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01768.txt
@@ -0,0 +1,53 @@
+ACCESSION: MSBNK-MSSJ-MSJ01768
+RECORD_TITLE: Acetazolamide; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 30 V; [M+H]+
+DATE: 2023.03.28
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230328-2.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Acetazolamide
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C4H6N4O3S2
+CH$EXACT_MASS: 221.988117
+CH$SMILES: CC(=O)NC1=NN=C(S1)S(=O)(=O)N
+CH$IUPAC: InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9)
+CH$LINK: CAS 59-66-5
+CH$LINK: CHEMSPIDER 1909
+CH$LINK: INCHIKEY BZKPWHYZMXOIDC-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:1986
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.122 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 222.995394
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-03k9-7900000000-ccb29dbc931822edb8f8
+PK$NUM_PEAK: 16
+PK$PEAK: m/z int. rel.int.
+  42.3 3233 10
+  43.2 54496 170
+  44.3 34837 109
+  46.2 49370 154
+  58.1 3892 12
+  59.2 27221 85
+  60.2 21524 67
+  73.2 215506 673
+  75.1 3262 10
+  80.2 7059 22
+  100.1 69257 216
+  102.2 4882 15
+  164.0 320108 999
+  181.1 95618 298
+  182.2 5544 17
+  223.0 4212 13
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01769.txt b/MSSJ/MSBNK-MSSJ-MSJ01769.txt
new file mode 100644
index 00000000000..e439579740d
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01769.txt
@@ -0,0 +1,53 @@
+ACCESSION: MSBNK-MSSJ-MSJ01769
+RECORD_TITLE: Acetazolamide; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 40 V; [M+H]+
+DATE: 2023.03.28
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230328-2.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Acetazolamide
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C4H6N4O3S2
+CH$EXACT_MASS: 221.988117
+CH$SMILES: CC(=O)NC1=NN=C(S1)S(=O)(=O)N
+CH$IUPAC: InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9)
+CH$LINK: CAS 59-66-5
+CH$LINK: CHEMSPIDER 1909
+CH$LINK: INCHIKEY BZKPWHYZMXOIDC-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:1986
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.122 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 222.995394
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-00dm-9100000000-4e19e8c76f8c26639c6b
+PK$NUM_PEAK: 16
+PK$PEAK: m/z int. rel.int.
+  28.4 2124 12
+  42.3 12141 69
+  43.2 76189 434
+  44.2 19366 110
+  46.2 115515 657
+  58.2 14824 84
+  59.2 78028 444
+  60.2 23504 134
+  73.2 175577 999
+  80.1 14004 80
+  92.5 2026 12
+  100.1 17564 100
+  102.2 6500 37
+  164.0 57008 324
+  181.0 13125 75
+  223.0 2797 16
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01770.txt b/MSSJ/MSBNK-MSSJ-MSJ01770.txt
new file mode 100644
index 00000000000..825dcc12fca
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01770.txt
@@ -0,0 +1,59 @@
+ACCESSION: MSBNK-MSSJ-MSJ01770
+RECORD_TITLE: Acetazolamide; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 50 V; [M+H]+
+DATE: 2023.03.28
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230328-2.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Acetazolamide
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C4H6N4O3S2
+CH$EXACT_MASS: 221.988117
+CH$SMILES: CC(=O)NC1=NN=C(S1)S(=O)(=O)N
+CH$IUPAC: InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9)
+CH$LINK: CAS 59-66-5
+CH$LINK: CHEMSPIDER 1909
+CH$LINK: INCHIKEY BZKPWHYZMXOIDC-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:1986
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.122 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 222.995394
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-0abd-9000000000-07887ba278a12c425ce9
+PK$NUM_PEAK: 22
+PK$PEAK: m/z int. rel.int.
+  15.6 911 10
+  28.3 1788 21
+  32.2 1847 21
+  42.3 12860 148
+  43.2 65535 755
+  44.2 10548 121
+  46.2 83969 967
+  48.3 2633 30
+  58.2 15816 182
+  59.2 86737 999
+  60.2 26200 302
+  64.3 2030 23
+  68.2 1338 15
+  73.2 63356 730
+  75.0 1800 21
+  80.2 14849 171
+  85.1 1203 14
+  100.1 8373 96
+  102.1 3220 37
+  163.9 13117 151
+  181.0 5589 64
+  222.8 1156 13
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01771.txt b/MSSJ/MSBNK-MSSJ-MSJ01771.txt
new file mode 100644
index 00000000000..483240f3084
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01771.txt
@@ -0,0 +1,39 @@
+ACCESSION: MSBNK-MSSJ-MSJ01771
+RECORD_TITLE: Acetazolamide; LC-ESI-QQ; MS; ESI; NEGATIVE
+DATE: 2023.03.28
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230328-2.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Acetazolamide
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C4H6N4O3S2
+CH$EXACT_MASS: 221.988117
+CH$SMILES: CC(=O)NC1=NN=C(S1)S(=O)(=O)N
+CH$IUPAC: InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9)
+CH$LINK: CAS 59-66-5
+CH$LINK: CHEMSPIDER 1909
+CH$LINK: INCHIKEY BZKPWHYZMXOIDC-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:1986
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.122  min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+PK$SPLASH: splash10-00di-0090000000-56c5687358a4e8715e17
+PK$NUM_PEAK: 6
+PK$PEAK: m/z int. rel.int.
+  221.0 3468962 999
+  222.0 240226 69
+  223.0 340206 98
+  443.0 201583 58
+  445.0 40125 12
+  465.0 70956 20
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01772.txt b/MSSJ/MSBNK-MSSJ-MSJ01772.txt
new file mode 100644
index 00000000000..70e5a318a1b
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01772.txt
@@ -0,0 +1,41 @@
+ACCESSION: MSBNK-MSSJ-MSJ01772
+RECORD_TITLE: Acetazolamide; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 10 V; [M-H]-
+DATE: 2023.03.28
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230328-2.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Acetazolamide
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C4H6N4O3S2
+CH$EXACT_MASS: 221.988117
+CH$SMILES: CC(=O)NC1=NN=C(S1)S(=O)(=O)N
+CH$IUPAC: InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9)
+CH$LINK: CAS 59-66-5
+CH$LINK: CHEMSPIDER 1909
+CH$LINK: INCHIKEY BZKPWHYZMXOIDC-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:1986
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.122 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 220.98084
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+PK$SPLASH: splash10-00di-1090000000-8cb08e3df7a39a332a7e
+PK$NUM_PEAK: 4
+PK$PEAK: m/z int. rel.int.
+  58.1 23624 41
+  80.1 8384 15
+  83.1 60978 107
+  221.0 570020 999
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01773.txt b/MSSJ/MSBNK-MSSJ-MSJ01773.txt
new file mode 100644
index 00000000000..8f907b5a390
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01773.txt
@@ -0,0 +1,48 @@
+ACCESSION: MSBNK-MSSJ-MSJ01773
+RECORD_TITLE: Acetazolamide; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 20 V; [M-H]-
+DATE: 2023.03.28
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230328-2.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Acetazolamide
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C4H6N4O3S2
+CH$EXACT_MASS: 221.988117
+CH$SMILES: CC(=O)NC1=NN=C(S1)S(=O)(=O)N
+CH$IUPAC: InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9)
+CH$LINK: CAS 59-66-5
+CH$LINK: CHEMSPIDER 1909
+CH$LINK: INCHIKEY BZKPWHYZMXOIDC-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:1986
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.122 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 220.98084
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+PK$SPLASH: splash10-001i-9010000000-e19f2a787c58286b1a12
+PK$NUM_PEAK: 11
+PK$PEAK: m/z int. rel.int.
+  41.2 6021 38
+  58.1 47216 296
+  62.1 3974 25
+  73.0 2794 18
+  78.0 1856 12
+  80.1 35557 223
+  83.1 159348 999
+  115.1 1912 12
+  116.1 2524 16
+  142.0 4740 30
+  221.0 36560 229
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01774.txt b/MSSJ/MSBNK-MSSJ-MSJ01774.txt
new file mode 100644
index 00000000000..3d7ba63bc09
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01774.txt
@@ -0,0 +1,47 @@
+ACCESSION: MSBNK-MSSJ-MSJ01774
+RECORD_TITLE: Acetazolamide; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 30 V; [M-H]-
+DATE: 2023.03.28
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230328-2.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Acetazolamide
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C4H6N4O3S2
+CH$EXACT_MASS: 221.988117
+CH$SMILES: CC(=O)NC1=NN=C(S1)S(=O)(=O)N
+CH$IUPAC: InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9)
+CH$LINK: CAS 59-66-5
+CH$LINK: CHEMSPIDER 1909
+CH$LINK: INCHIKEY BZKPWHYZMXOIDC-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:1986
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.122 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 220.98084
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+PK$SPLASH: splash10-001i-9000000000-538ef4ac05eacfa2b904
+PK$NUM_PEAK: 10
+PK$PEAK: m/z int. rel.int.
+  41.1 17475 173
+  58.0 23186 229
+  62.1 15468 153
+  64.1 6047 60
+  68.1 1813 18
+  73.0 1457 14
+  77.9 1136 11
+  80.1 27389 271
+  83.1 101133 999
+  220.9 2002 20
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01775.txt b/MSSJ/MSBNK-MSSJ-MSJ01775.txt
new file mode 100644
index 00000000000..1e625ca7db9
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01775.txt
@@ -0,0 +1,54 @@
+ACCESSION: MSBNK-MSSJ-MSJ01775
+RECORD_TITLE: Acetazolamide; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 40 V; [M-H]-
+DATE: 2023.03.28
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230328-2.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Acetazolamide
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C4H6N4O3S2
+CH$EXACT_MASS: 221.988117
+CH$SMILES: CC(=O)NC1=NN=C(S1)S(=O)(=O)N
+CH$IUPAC: InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9)
+CH$LINK: CAS 59-66-5
+CH$LINK: CHEMSPIDER 1909
+CH$LINK: INCHIKEY BZKPWHYZMXOIDC-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:1986
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.122 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 220.98084
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+PK$SPLASH: splash10-01q9-9000000000-6df3dac5f6cb0da21560
+PK$NUM_PEAK: 17
+PK$PEAK: m/z int. rel.int.
+  16.3 437 12
+  25.9 437 12
+  41.2 20545 578
+  42.0 632 18
+  58.1 22206 624
+  62.0 13880 390
+  64.0 12930 364
+  66.1 854 24
+  68.2 5262 148
+  78.0 1220 34
+  80.1 10733 302
+  81.0 400 11
+  83.1 35523 999
+  84.1 724 20
+  218.6 437 12
+  219.8 641 18
+  221.1 946 27
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01776.txt b/MSSJ/MSBNK-MSSJ-MSJ01776.txt
new file mode 100644
index 00000000000..6bfa31cc1ae
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01776.txt
@@ -0,0 +1,47 @@
+ACCESSION: MSBNK-MSSJ-MSJ01776
+RECORD_TITLE: Acetazolamide; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 50 V; [M-H]-
+DATE: 2023.03.28
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230328-2.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Acetazolamide
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C4H6N4O3S2
+CH$EXACT_MASS: 221.988117
+CH$SMILES: CC(=O)NC1=NN=C(S1)S(=O)(=O)N
+CH$IUPAC: InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9)
+CH$LINK: CAS 59-66-5
+CH$LINK: CHEMSPIDER 1909
+CH$LINK: INCHIKEY BZKPWHYZMXOIDC-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:1986
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.122 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 220.98084
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+PK$SPLASH: splash10-08gl-9000000000-9adb07ccaaaea24e311c
+PK$NUM_PEAK: 10
+PK$PEAK: m/z int. rel.int.
+  41.1 15556 891
+  58.1 17446 999
+  62.1 10770 617
+  64.0 16453 942
+  66.6 436 25
+  68.0 6016 344
+  78.0 218 12
+  80.0 6662 381
+  83.1 11651 667
+  220.8 437 25
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01777.txt b/MSSJ/MSBNK-MSSJ-MSJ01777.txt
new file mode 100644
index 00000000000..4157925c6cb
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01777.txt
@@ -0,0 +1,50 @@
+ACCESSION: MSBNK-MSSJ-MSJ01777
+RECORD_TITLE: Acetylpheneturide; LC-ESI-QQ; MS; ESI; POSITIVE
+DATE: 2023.03.28
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230328-2.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Acetylpheneturide
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C13H16N2O3
+CH$EXACT_MASS: 248.116085
+CH$SMILES: CCC(C1=CC=CC=C1)C(=O)NC(=O)NC(=O)C
+CH$IUPAC: InChI=1S/C13H16N2O3/c1-3-11(10-7-5-4-6-8-10)12(17)15-13(18)14-9(2)16/h4-8,11H,3H2,1-2H3,(H2,14,15,16,17,18)
+CH$LINK: CAS 13402-08-9
+CH$LINK: CHEMSPIDER 1922
+CH$LINK: INCHIKEY GBPZSCQLDXUGNO-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:1999
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.901 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+PK$SPLASH: splash10-0002-0190000000-3f93fa0c970b1680ad8a
+PK$NUM_PEAK: 17
+PK$PEAK: m/z int. rel.int.
+  103.2 14734 16
+  119.2 107052 114
+  120.3 10632 11
+  147.2 51271 55
+  207.2 9850 10
+  249.2 937202 999
+  250.2 156623 167
+  251.3 14369 15
+  255.3 20413 22
+  266.2 59302 63
+  271.2 242631 259
+  272.2 26174 28
+  287.2 72257 77
+  288.2 12437 13
+  503.4 35619 38
+  519.3 99573 106
+  520.3 30900 33
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01778.txt b/MSSJ/MSBNK-MSSJ-MSJ01778.txt
new file mode 100644
index 00000000000..3179ef65694
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01778.txt
@@ -0,0 +1,43 @@
+ACCESSION: MSBNK-MSSJ-MSJ01778
+RECORD_TITLE: Acetylpheneturide; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 10 V; [M+H]+
+DATE: 2023.03.28
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230328-2.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Acetylpheneturide
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C13H16N2O3
+CH$EXACT_MASS: 248.116085
+CH$SMILES: CCC(C1=CC=CC=C1)C(=O)NC(=O)NC(=O)C
+CH$IUPAC: InChI=1S/C13H16N2O3/c1-3-11(10-7-5-4-6-8-10)12(17)15-13(18)14-9(2)16/h4-8,11H,3H2,1-2H3,(H2,14,15,16,17,18)
+CH$LINK: CAS 13402-08-9
+CH$LINK: CHEMSPIDER 1922
+CH$LINK: INCHIKEY GBPZSCQLDXUGNO-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:1999
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.901 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 249.123362
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-014i-0910000000-8fea1c8688d481a84115
+PK$NUM_PEAK: 6
+PK$PEAK: m/z int. rel.int.
+  91.2 67478 120
+  103.2 28010 50
+  119.2 561100 999
+  147.2 31220 56
+  207.1 19619 35
+  249.2 52875 94
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01779.txt b/MSSJ/MSBNK-MSSJ-MSJ01779.txt
new file mode 100644
index 00000000000..26617ebfe7f
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01779.txt
@@ -0,0 +1,43 @@
+ACCESSION: MSBNK-MSSJ-MSJ01779
+RECORD_TITLE: Acetylpheneturide; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 20 V; [M+H]+
+DATE: 2023.03.28
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230328-2.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Acetylpheneturide
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C13H16N2O3
+CH$EXACT_MASS: 248.116085
+CH$SMILES: CCC(C1=CC=CC=C1)C(=O)NC(=O)NC(=O)C
+CH$IUPAC: InChI=1S/C13H16N2O3/c1-3-11(10-7-5-4-6-8-10)12(17)15-13(18)14-9(2)16/h4-8,11H,3H2,1-2H3,(H2,14,15,16,17,18)
+CH$LINK: CAS 13402-08-9
+CH$LINK: CHEMSPIDER 1922
+CH$LINK: INCHIKEY GBPZSCQLDXUGNO-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:1999
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.901 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 249.123362
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-00kf-9500000000-90d24c766a2cfd6908dc
+PK$NUM_PEAK: 6
+PK$PEAK: m/z int. rel.int.
+  60.2 9729 26
+  61.2 6946 19
+  91.2 368317 999
+  103.1 7700 21
+  119.2 241115 654
+  164.1 6557 18
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01780.txt b/MSSJ/MSBNK-MSSJ-MSJ01780.txt
new file mode 100644
index 00000000000..4d65263e1c0
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01780.txt
@@ -0,0 +1,42 @@
+ACCESSION: MSBNK-MSSJ-MSJ01780
+RECORD_TITLE: Acetylpheneturide; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 30 V; [M+H]+
+DATE: 2023.03.28
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230328-2.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Acetylpheneturide
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C13H16N2O3
+CH$EXACT_MASS: 248.116085
+CH$SMILES: CCC(C1=CC=CC=C1)C(=O)NC(=O)NC(=O)C
+CH$IUPAC: InChI=1S/C13H16N2O3/c1-3-11(10-7-5-4-6-8-10)12(17)15-13(18)14-9(2)16/h4-8,11H,3H2,1-2H3,(H2,14,15,16,17,18)
+CH$LINK: CAS 13402-08-9
+CH$LINK: CHEMSPIDER 1922
+CH$LINK: INCHIKEY GBPZSCQLDXUGNO-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:1999
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.901 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 249.123362
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-0006-9000000000-2591c03274a7febcd6ae
+PK$NUM_PEAK: 5
+PK$PEAK: m/z int. rel.int.
+  60.2 13388 22
+  61.2 10956 18
+  65.2 6566 11
+  91.2 614592 999
+  119.1 39296 64
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01781.txt b/MSSJ/MSBNK-MSSJ-MSJ01781.txt
new file mode 100644
index 00000000000..cbd74838382
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01781.txt
@@ -0,0 +1,43 @@
+ACCESSION: MSBNK-MSSJ-MSJ01781
+RECORD_TITLE: Acetylpheneturide; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 40 V; [M+H]+
+DATE: 2023.03.28
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230328-2.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Acetylpheneturide
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C13H16N2O3
+CH$EXACT_MASS: 248.116085
+CH$SMILES: CCC(C1=CC=CC=C1)C(=O)NC(=O)NC(=O)C
+CH$IUPAC: InChI=1S/C13H16N2O3/c1-3-11(10-7-5-4-6-8-10)12(17)15-13(18)14-9(2)16/h4-8,11H,3H2,1-2H3,(H2,14,15,16,17,18)
+CH$LINK: CAS 13402-08-9
+CH$LINK: CHEMSPIDER 1922
+CH$LINK: INCHIKEY GBPZSCQLDXUGNO-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:1999
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.901 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 249.123362
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-0006-9000000000-93e33061ad048d46521d
+PK$NUM_PEAK: 6
+PK$PEAK: m/z int. rel.int.
+  43.3 4274 10
+  60.2 5339 13
+  61.3 6296 15
+  65.2 8819 21
+  91.2 425690 999
+  119.2 7869 18
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01782.txt b/MSSJ/MSBNK-MSSJ-MSJ01782.txt
new file mode 100644
index 00000000000..8b2d4557dd5
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01782.txt
@@ -0,0 +1,46 @@
+ACCESSION: MSBNK-MSSJ-MSJ01782
+RECORD_TITLE: Acetylpheneturide; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 50 V; [M+H]+
+DATE: 2023.03.28
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230328-2.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Acetylpheneturide
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C13H16N2O3
+CH$EXACT_MASS: 248.116085
+CH$SMILES: CCC(C1=CC=CC=C1)C(=O)NC(=O)NC(=O)C
+CH$IUPAC: InChI=1S/C13H16N2O3/c1-3-11(10-7-5-4-6-8-10)12(17)15-13(18)14-9(2)16/h4-8,11H,3H2,1-2H3,(H2,14,15,16,17,18)
+CH$LINK: CAS 13402-08-9
+CH$LINK: CHEMSPIDER 1922
+CH$LINK: INCHIKEY GBPZSCQLDXUGNO-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:1999
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.901 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 249.123362
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-0006-9000000000-1f9262b257c4b3cb2cd6
+PK$NUM_PEAK: 9
+PK$PEAK: m/z int. rel.int.
+  39.3 4532 14
+  41.3 5350 17
+  43.4 3196 10
+  61.2 4705 15
+  63.2 3662 11
+  65.2 40150 126
+  77.2 3255 10
+  91.2 318972 999
+  119.0 3631 11
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01783.txt b/MSSJ/MSBNK-MSSJ-MSJ01783.txt
new file mode 100644
index 00000000000..cf7ceadfaa1
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01783.txt
@@ -0,0 +1,45 @@
+ACCESSION: MSBNK-MSSJ-MSJ01783
+RECORD_TITLE: Acetylpheneturide; LC-ESI-QQ; MS; ESI; NEGATIVE
+DATE: 2023.03.28
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230328-2.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Acetylpheneturide
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C13H16N2O3
+CH$EXACT_MASS: 248.116085
+CH$SMILES: CCC(C1=CC=CC=C1)C(=O)NC(=O)NC(=O)C
+CH$IUPAC: InChI=1S/C13H16N2O3/c1-3-11(10-7-5-4-6-8-10)12(17)15-13(18)14-9(2)16/h4-8,11H,3H2,1-2H3,(H2,14,15,16,17,18)
+CH$LINK: CAS 13402-08-9
+CH$LINK: CHEMSPIDER 1922
+CH$LINK: INCHIKEY GBPZSCQLDXUGNO-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:1999
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.901 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+PK$SPLASH: splash10-0002-0090000000-837349f2d2dba144880e
+PK$NUM_PEAK: 12
+PK$PEAK: m/z int. rel.int.
+  162.1 88731 39
+  204.2 32435 14
+  205.1 63096 28
+  247.1 2252866 999
+  248.2 366044 162
+  249.2 32580 14
+  283.1 196805 87
+  284.2 34350 15
+  285.1 27469 12
+  305.1 42180 19
+  315.1 38119 17
+  337.2 25170 11
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01784.txt b/MSSJ/MSBNK-MSSJ-MSJ01784.txt
new file mode 100644
index 00000000000..d27e77cb38e
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01784.txt
@@ -0,0 +1,46 @@
+ACCESSION: MSBNK-MSSJ-MSJ01784
+RECORD_TITLE: Acetylpheneturide; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 10 V; [M-H]-
+DATE: 2023.03.28
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230328-2.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Acetylpheneturide
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C13H16N2O3
+CH$EXACT_MASS: 248.116085
+CH$SMILES: CCC(C1=CC=CC=C1)C(=O)NC(=O)NC(=O)C
+CH$IUPAC: InChI=1S/C13H16N2O3/c1-3-11(10-7-5-4-6-8-10)12(17)15-13(18)14-9(2)16/h4-8,11H,3H2,1-2H3,(H2,14,15,16,17,18)
+CH$LINK: CAS 13402-08-9
+CH$LINK: CHEMSPIDER 1922
+CH$LINK: INCHIKEY GBPZSCQLDXUGNO-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:1999
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.901 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 247.108808
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+PK$SPLASH: splash10-03dj-3980000000-8f92151ca593658e6c3b
+PK$NUM_PEAK: 9
+PK$PEAK: m/z int. rel.int.
+  42.1 643822 336
+  58.1 34203 18
+  101.1 51018 27
+  102.1 23091 12
+  119.1 22254 12
+  162.1 1916206 999
+  204.1 188871 98
+  205.1 215917 113
+  247.1 1471776 767
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01785.txt b/MSSJ/MSBNK-MSSJ-MSJ01785.txt
new file mode 100644
index 00000000000..69b89214ec7
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01785.txt
@@ -0,0 +1,42 @@
+ACCESSION: MSBNK-MSSJ-MSJ01785
+RECORD_TITLE: Acetylpheneturide; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 20 V; [M-H]-
+DATE: 2023.03.28
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230328-2.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Acetylpheneturide
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C13H16N2O3
+CH$EXACT_MASS: 248.116085
+CH$SMILES: CCC(C1=CC=CC=C1)C(=O)NC(=O)NC(=O)C
+CH$IUPAC: InChI=1S/C13H16N2O3/c1-3-11(10-7-5-4-6-8-10)12(17)15-13(18)14-9(2)16/h4-8,11H,3H2,1-2H3,(H2,14,15,16,17,18)
+CH$LINK: CAS 13402-08-9
+CH$LINK: CHEMSPIDER 1922
+CH$LINK: INCHIKEY GBPZSCQLDXUGNO-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:1999
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.901 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 247.108808
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+PK$SPLASH: splash10-0006-9100000000-5dc5cb23aa45f9d398ca
+PK$NUM_PEAK: 5
+PK$PEAK: m/z int. rel.int.
+  42.1 684628 999
+  58.1 125540 183
+  119.1 73893 108
+  162.0 103070 150
+  204.0 19295 28
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01786.txt b/MSSJ/MSBNK-MSSJ-MSJ01786.txt
new file mode 100644
index 00000000000..e82a1ff79c8
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01786.txt
@@ -0,0 +1,40 @@
+ACCESSION: MSBNK-MSSJ-MSJ01786
+RECORD_TITLE: Acetylpheneturide; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 30 V; [M-H]-
+DATE: 2023.03.28
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230328-2.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Acetylpheneturide
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C13H16N2O3
+CH$EXACT_MASS: 248.116085
+CH$SMILES: CCC(C1=CC=CC=C1)C(=O)NC(=O)NC(=O)C
+CH$IUPAC: InChI=1S/C13H16N2O3/c1-3-11(10-7-5-4-6-8-10)12(17)15-13(18)14-9(2)16/h4-8,11H,3H2,1-2H3,(H2,14,15,16,17,18)
+CH$LINK: CAS 13402-08-9
+CH$LINK: CHEMSPIDER 1922
+CH$LINK: INCHIKEY GBPZSCQLDXUGNO-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:1999
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.901 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 247.108808
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+PK$SPLASH: splash10-0006-9000000000-1b5e175e4efad3d55030
+PK$NUM_PEAK: 3
+PK$PEAK: m/z int. rel.int.
+  42.1 431624 999
+  58.1 154936 359
+  119.1 13760 32
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01787.txt b/MSSJ/MSBNK-MSSJ-MSJ01787.txt
new file mode 100644
index 00000000000..dfa334d6a72
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01787.txt
@@ -0,0 +1,39 @@
+ACCESSION: MSBNK-MSSJ-MSJ01787
+RECORD_TITLE: Acetylpheneturide; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 40 V; [M-H]-
+DATE: 2023.03.28
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230328-2.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Acetylpheneturide
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C13H16N2O3
+CH$EXACT_MASS: 248.116085
+CH$SMILES: CCC(C1=CC=CC=C1)C(=O)NC(=O)NC(=O)C
+CH$IUPAC: InChI=1S/C13H16N2O3/c1-3-11(10-7-5-4-6-8-10)12(17)15-13(18)14-9(2)16/h4-8,11H,3H2,1-2H3,(H2,14,15,16,17,18)
+CH$LINK: CAS 13402-08-9
+CH$LINK: CHEMSPIDER 1922
+CH$LINK: INCHIKEY GBPZSCQLDXUGNO-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:1999
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.901 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 247.108808
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+PK$SPLASH: splash10-0006-9000000000-5f545bb68f357e9a7c15
+PK$NUM_PEAK: 2
+PK$PEAK: m/z int. rel.int.
+  42.1 334103 999
+  58.1 129089 386
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01788.txt b/MSSJ/MSBNK-MSSJ-MSJ01788.txt
new file mode 100644
index 00000000000..d4bde63b187
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01788.txt
@@ -0,0 +1,39 @@
+ACCESSION: MSBNK-MSSJ-MSJ01788
+RECORD_TITLE: Acetylpheneturide; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 50 V; [M-H]-
+DATE: 2023.03.28
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230328-2.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Acetylpheneturide
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C13H16N2O3
+CH$EXACT_MASS: 248.116085
+CH$SMILES: CCC(C1=CC=CC=C1)C(=O)NC(=O)NC(=O)C
+CH$IUPAC: InChI=1S/C13H16N2O3/c1-3-11(10-7-5-4-6-8-10)12(17)15-13(18)14-9(2)16/h4-8,11H,3H2,1-2H3,(H2,14,15,16,17,18)
+CH$LINK: CAS 13402-08-9
+CH$LINK: CHEMSPIDER 1922
+CH$LINK: INCHIKEY GBPZSCQLDXUGNO-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:1999
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.901 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 247.108808
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+PK$SPLASH: splash10-0006-9000000000-cf9d641fce8477e23680
+PK$NUM_PEAK: 2
+PK$PEAK: m/z int. rel.int.
+  42.1 285433 999
+  58.0 67447 236
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01789.txt b/MSSJ/MSBNK-MSSJ-MSJ01789.txt
new file mode 100644
index 00000000000..7b635d3caec
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01789.txt
@@ -0,0 +1,43 @@
+ACCESSION: MSBNK-MSSJ-MSJ01789
+RECORD_TITLE: Acetaminophen; LC-ESI-QQ; MS; ESI; POSITIVE
+DATE: 2023.03.28
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230328-2.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Acetaminophen
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C8H9NO2
+CH$EXACT_MASS: 151.063325
+CH$SMILES: CC(=O)NC1=CC=C(C=C1)O
+CH$IUPAC: InChI=1S/C8H9NO2/c1-6(10)9-7-2-4-8(11)5-3-7/h2-5,11H,1H3,(H,9,10)
+CH$LINK: CAS 103-90-2
+CH$LINK: CHEMSPIDER 1906
+CH$LINK: INCHIKEY RZVAJINKPMORJF-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:1983
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.203 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+PK$SPLASH: splash10-0udi-0900000000-54e64ceadd3c3cec9346
+PK$NUM_PEAK: 10
+PK$PEAK: m/z int. rel.int.
+  110.2 12963 27
+  151.2 5017 10
+  152.2 486720 999
+  153.2 49562 102
+  169.1 5537 11
+  174.1 42491 87
+  190.1 13423 28
+  212.1 15072 31
+  303.3 5633 12
+  325.2 12831 26
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01790.txt b/MSSJ/MSBNK-MSSJ-MSJ01790.txt
new file mode 100644
index 00000000000..5de5640d8ff
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01790.txt
@@ -0,0 +1,45 @@
+ACCESSION: MSBNK-MSSJ-MSJ01790
+RECORD_TITLE: Acetaminophen; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 10 V; [M+H]+
+DATE: 2023.03.28
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230328-2.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Acetaminophen
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C8H9NO2
+CH$EXACT_MASS: 151.063325
+CH$SMILES: CC(=O)NC1=CC=C(C=C1)O
+CH$IUPAC: InChI=1S/C8H9NO2/c1-6(10)9-7-2-4-8(11)5-3-7/h2-5,11H,1H3,(H,9,10)
+CH$LINK: CAS 103-90-2
+CH$LINK: CHEMSPIDER 1906
+CH$LINK: INCHIKEY RZVAJINKPMORJF-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:1983
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.203 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 152.070602
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-0w29-0900000000-8e4cf2d04d5248ec7381
+PK$NUM_PEAK: 8
+PK$PEAK: m/z int. rel.int.
+  43.2 3745 16
+  65.2 2468 10
+  82.2 2407 10
+  92.2 2847 12
+  93.2 13143 55
+  110.2 138367 581
+  134.1 2989 13
+  152.2 237870 999
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01791.txt b/MSSJ/MSBNK-MSSJ-MSJ01791.txt
new file mode 100644
index 00000000000..1d59c2b5574
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01791.txt
@@ -0,0 +1,45 @@
+ACCESSION: MSBNK-MSSJ-MSJ01791
+RECORD_TITLE: Acetaminophen; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 20 V; [M+H]+
+DATE: 2023.03.28
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230328-2.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Acetaminophen
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C8H9NO2
+CH$EXACT_MASS: 151.063325
+CH$SMILES: CC(=O)NC1=CC=C(C=C1)O
+CH$IUPAC: InChI=1S/C8H9NO2/c1-6(10)9-7-2-4-8(11)5-3-7/h2-5,11H,1H3,(H,9,10)
+CH$LINK: CAS 103-90-2
+CH$LINK: CHEMSPIDER 1906
+CH$LINK: INCHIKEY RZVAJINKPMORJF-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:1983
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.203 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 152.070602
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-0ik9-3900000000-95ba3ba4327e530826b5
+PK$NUM_PEAK: 8
+PK$PEAK: m/z int. rel.int.
+  43.2 23071 124
+  65.2 28897 155
+  82.3 7078 38
+  92.2 18110 97
+  93.2 44486 238
+  110.2 186581 999
+  134.2 2532 14
+  152.2 109216 585
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01792.txt b/MSSJ/MSBNK-MSSJ-MSJ01792.txt
new file mode 100644
index 00000000000..baaeb1cd370
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01792.txt
@@ -0,0 +1,51 @@
+ACCESSION: MSBNK-MSSJ-MSJ01792
+RECORD_TITLE: Acetaminophen; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 30 V; [M+H]+
+DATE: 2023.03.28
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230328-2.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Acetaminophen
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C8H9NO2
+CH$EXACT_MASS: 151.063325
+CH$SMILES: CC(=O)NC1=CC=C(C=C1)O
+CH$IUPAC: InChI=1S/C8H9NO2/c1-6(10)9-7-2-4-8(11)5-3-7/h2-5,11H,1H3,(H,9,10)
+CH$LINK: CAS 103-90-2
+CH$LINK: CHEMSPIDER 1906
+CH$LINK: INCHIKEY RZVAJINKPMORJF-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:1983
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.203 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 152.070602
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-0296-9200000000-8f3e205c924a95bc0bea
+PK$NUM_PEAK: 14
+PK$PEAK: m/z int. rel.int.
+  39.2 6385 78
+  42.1 1328 16
+  43.2 30895 378
+  55.2 1477 18
+  65.2 81706 999
+  67.2 4666 57
+  80.2 3671 45
+  81.2 922 11
+  82.3 9300 114
+  92.2 21158 259
+  93.2 49949 611
+  109.2 4636 57
+  110.2 58603 717
+  152.2 2338 29
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01793.txt b/MSSJ/MSBNK-MSSJ-MSJ01793.txt
new file mode 100644
index 00000000000..62edfa9d463
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01793.txt
@@ -0,0 +1,57 @@
+ACCESSION: MSBNK-MSSJ-MSJ01793
+RECORD_TITLE: Acetaminophen; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 40 V; [M+H]+
+DATE: 2023.03.28
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230328-2.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Acetaminophen
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C8H9NO2
+CH$EXACT_MASS: 151.063325
+CH$SMILES: CC(=O)NC1=CC=C(C=C1)O
+CH$IUPAC: InChI=1S/C8H9NO2/c1-6(10)9-7-2-4-8(11)5-3-7/h2-5,11H,1H3,(H,9,10)
+CH$LINK: CAS 103-90-2
+CH$LINK: CHEMSPIDER 1906
+CH$LINK: INCHIKEY RZVAJINKPMORJF-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:1983
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.203 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 152.070602
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-014l-9000000000-67db40649a76fa35eb84
+PK$NUM_PEAK: 20
+PK$PEAK: m/z int. rel.int.
+  15.4 835 15
+  37.2 582 10
+  38.0 744 13
+  39.2 19095 333
+  41.4 1022 18
+  43.2 25111 438
+  55.2 1322 23
+  65.2 57251 999
+  66.2 923 16
+  67.3 3374 59
+  80.2 4766 83
+  81.2 2350 41
+  82.3 1404 24
+  83.3 835 15
+  91.2 835 15
+  92.3 4397 77
+  93.2 14759 258
+  109.2 5259 92
+  110.1 7513 131
+  152.3 964 17
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01794.txt b/MSSJ/MSBNK-MSSJ-MSJ01794.txt
new file mode 100644
index 00000000000..94300d2b7e5
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01794.txt
@@ -0,0 +1,64 @@
+ACCESSION: MSBNK-MSSJ-MSJ01794
+RECORD_TITLE: Acetaminophen; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 50 V; [M+H]+
+DATE: 2023.03.28
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230328-2.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Acetaminophen
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C8H9NO2
+CH$EXACT_MASS: 151.063325
+CH$SMILES: CC(=O)NC1=CC=C(C=C1)O
+CH$IUPAC: InChI=1S/C8H9NO2/c1-6(10)9-7-2-4-8(11)5-3-7/h2-5,11H,1H3,(H,9,10)
+CH$LINK: CAS 103-90-2
+CH$LINK: CHEMSPIDER 1906
+CH$LINK: INCHIKEY RZVAJINKPMORJF-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:1983
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.203 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 152.070602
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-00ku-9000000000-45cf4fe690f75bfdfee6
+PK$NUM_PEAK: 27
+PK$PEAK: m/z int. rel.int.
+  15.4 1616 53
+  29.4 904 30
+  33.0 582 19
+  37.2 934 31
+  38.3 1074 35
+  39.3 30263 999
+  40.2 553 18
+  41.2 670 22
+  43.2 23856 788
+  44.1 418 14
+  53.3 2139 71
+  54.1 813 27
+  55.2 630 21
+  65.2 19368 639
+  66.2 4080 135
+  67.1 3112 103
+  73.9 341 11
+  77.2 531 18
+  78.3 582 19
+  80.2 8106 268
+  82.2 418 14
+  92.2 2310 76
+  93.2 4347 143
+  94.2 436 14
+  109.1 1790 59
+  110.3 2821 93
+  152.0 1703 56
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01795.txt b/MSSJ/MSBNK-MSSJ-MSJ01795.txt
new file mode 100644
index 00000000000..aa2cda55c82
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01795.txt
@@ -0,0 +1,46 @@
+ACCESSION: MSBNK-MSSJ-MSJ01795
+RECORD_TITLE: Acetaminophen; LC-ESI-QQ; MS; ESI; NEGATIVE
+DATE: 2023.03.28
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230328-2.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Acetaminophen
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C8H9NO2
+CH$EXACT_MASS: 151.063325
+CH$SMILES: CC(=O)NC1=CC=C(C=C1)O
+CH$IUPAC: InChI=1S/C8H9NO2/c1-6(10)9-7-2-4-8(11)5-3-7/h2-5,11H,1H3,(H,9,10)
+CH$LINK: CAS 103-90-2
+CH$LINK: CHEMSPIDER 1906
+CH$LINK: INCHIKEY RZVAJINKPMORJF-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:1983
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.203 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+PK$SPLASH: splash10-0udi-0900000000-907caa6c1dad95a6a903
+PK$NUM_PEAK: 13
+PK$PEAK: m/z int. rel.int.
+  107.0 15776 13
+  112.9 14575 12
+  150.0 1242278 999
+  151.1 112194 90
+  165.0 33003 27
+  186.0 118273 95
+  188.0 38160 31
+  190.9 25155 20
+  196.1 193996 156
+  197.0 23823 19
+  296.0 38956 31
+  301.1 35419 28
+  401.1 17405 14
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01796.txt b/MSSJ/MSBNK-MSSJ-MSJ01796.txt
new file mode 100644
index 00000000000..44bd2309c28
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01796.txt
@@ -0,0 +1,40 @@
+ACCESSION: MSBNK-MSSJ-MSJ01796
+RECORD_TITLE: Acetaminophen; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 10 V; [M-H]-
+DATE: 2023.03.28
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230328-2.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Acetaminophen
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C8H9NO2
+CH$EXACT_MASS: 151.063325
+CH$SMILES: CC(=O)NC1=CC=C(C=C1)O
+CH$IUPAC: InChI=1S/C8H9NO2/c1-6(10)9-7-2-4-8(11)5-3-7/h2-5,11H,1H3,(H,9,10)
+CH$LINK: CAS 103-90-2
+CH$LINK: CHEMSPIDER 1906
+CH$LINK: INCHIKEY RZVAJINKPMORJF-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:1983
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.203 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 150.056048
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+PK$SPLASH: splash10-0udi-0900000000-fb953ffaac8c9baf6e45
+PK$NUM_PEAK: 3
+PK$PEAK: m/z int. rel.int.
+  107.0 30134 325
+  108.1 2300 25
+  150.0 92608 999
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01797.txt b/MSSJ/MSBNK-MSSJ-MSJ01797.txt
new file mode 100644
index 00000000000..8e6e3ba39a2
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01797.txt
@@ -0,0 +1,41 @@
+ACCESSION: MSBNK-MSSJ-MSJ01797
+RECORD_TITLE: Acetaminophen; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 20 V; [M-H]-
+DATE: 2023.03.28
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230328-2.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Acetaminophen
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C8H9NO2
+CH$EXACT_MASS: 151.063325
+CH$SMILES: CC(=O)NC1=CC=C(C=C1)O
+CH$IUPAC: InChI=1S/C8H9NO2/c1-6(10)9-7-2-4-8(11)5-3-7/h2-5,11H,1H3,(H,9,10)
+CH$LINK: CAS 103-90-2
+CH$LINK: CHEMSPIDER 1906
+CH$LINK: INCHIKEY RZVAJINKPMORJF-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:1983
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.203 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 150.056048
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+PK$SPLASH: splash10-0zfr-0900000000-96835867a1407e00c5b8
+PK$NUM_PEAK: 4
+PK$PEAK: m/z int. rel.int.
+  107.1 33840 876
+  108.0 2659 69
+  117.9 688 18
+  150.0 38606 999
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01798.txt b/MSSJ/MSBNK-MSSJ-MSJ01798.txt
new file mode 100644
index 00000000000..52ce8d8b623
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01798.txt
@@ -0,0 +1,50 @@
+ACCESSION: MSBNK-MSSJ-MSJ01798
+RECORD_TITLE: Acetaminophen; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 30 V; [M-H]-
+DATE: 2023.03.28
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230328-2.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Acetaminophen
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C8H9NO2
+CH$EXACT_MASS: 151.063325
+CH$SMILES: CC(=O)NC1=CC=C(C=C1)O
+CH$IUPAC: InChI=1S/C8H9NO2/c1-6(10)9-7-2-4-8(11)5-3-7/h2-5,11H,1H3,(H,9,10)
+CH$LINK: CAS 103-90-2
+CH$LINK: CHEMSPIDER 1906
+CH$LINK: INCHIKEY RZVAJINKPMORJF-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:1983
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.203 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 150.056048
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+PK$SPLASH: splash10-0a4i-0900000000-0a29ef275861d94ebbaf
+PK$NUM_PEAK: 13
+PK$PEAK: m/z int. rel.int.
+  26.2 287 18
+  52.3 287 18
+  69.0 287 18
+  75.0 230 14
+  78.0 566 35
+  92.5 287 18
+  107.0 16148 999
+  108.1 816 50
+  117.8 736 46
+  131.8 282 17
+  133.8 286 18
+  134.4 286 18
+  150.0 752 47
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01799.txt b/MSSJ/MSBNK-MSSJ-MSJ01799.txt
new file mode 100644
index 00000000000..48e5f46167b
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01799.txt
@@ -0,0 +1,49 @@
+ACCESSION: MSBNK-MSSJ-MSJ01799
+RECORD_TITLE: Acetaminophen; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 40 V; [M-H]-
+DATE: 2023.03.28
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230328-2.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Acetaminophen
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C8H9NO2
+CH$EXACT_MASS: 151.063325
+CH$SMILES: CC(=O)NC1=CC=C(C=C1)O
+CH$IUPAC: InChI=1S/C8H9NO2/c1-6(10)9-7-2-4-8(11)5-3-7/h2-5,11H,1H3,(H,9,10)
+CH$LINK: CAS 103-90-2
+CH$LINK: CHEMSPIDER 1906
+CH$LINK: INCHIKEY RZVAJINKPMORJF-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:1983
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.203 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 150.056048
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+PK$SPLASH: splash10-0aou-5900000000-68a90d6922d11b1d604e
+PK$NUM_PEAK: 12
+PK$PEAK: m/z int. rel.int.
+  35.0 330 160
+  40.3 413 200
+  42.1 274 132
+  52.0 413 200
+  78.1 368 178
+  92.2 431 208
+  93.0 549 265
+  107.0 2066 999
+  107.9 120 58
+  118.0 1811 876
+  134.3 287 139
+  150.4 337 163
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01800.txt b/MSSJ/MSBNK-MSSJ-MSJ01800.txt
new file mode 100644
index 00000000000..bcf6685fdac
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01800.txt
@@ -0,0 +1,46 @@
+ACCESSION: MSBNK-MSSJ-MSJ01800
+RECORD_TITLE: Acetaminophen; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 50 V; [M-H]-
+DATE: 2023.03.28
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230328-2.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Acetaminophen
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C8H9NO2
+CH$EXACT_MASS: 151.063325
+CH$SMILES: CC(=O)NC1=CC=C(C=C1)O
+CH$IUPAC: InChI=1S/C8H9NO2/c1-6(10)9-7-2-4-8(11)5-3-7/h2-5,11H,1H3,(H,9,10)
+CH$LINK: CAS 103-90-2
+CH$LINK: CHEMSPIDER 1906
+CH$LINK: INCHIKEY RZVAJINKPMORJF-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:1983
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.203 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 150.056048
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+PK$SPLASH: splash10-052f-5900000000-c94173f6ee116cab7157
+PK$NUM_PEAK: 9
+PK$PEAK: m/z int. rel.int.
+  41.4 287 341
+  42.1 262 311
+  91.8 387 459
+  92.9 287 341
+  106.8 842 999
+  107.6 286 339
+  117.9 287 341
+  133.9 143 170
+  149.9 408 484
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01801.txt b/MSSJ/MSBNK-MSSJ-MSJ01801.txt
new file mode 100644
index 00000000000..ede68f87d51
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01801.txt
@@ -0,0 +1,50 @@
+ACCESSION: MSBNK-MSSJ-MSJ01801
+RECORD_TITLE: Acemetacin; LC-ESI-QQ; MS; ESI; POSITIVE
+DATE: 2023.03.28
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230328-2.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Acemetacin
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C21H18ClNO6
+CH$EXACT_MASS: 415.082263
+CH$SMILES: CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)OCC(=O)O
+CH$IUPAC: InChI=1S/C21H18ClNO6/c1-12-16(10-20(26)29-11-19(24)25)17-9-15(28-2)7-8-18(17)23(12)21(27)13-3-5-14(22)6-4-13/h3-9H,10-11H2,1-2H3,(H,24,25)
+CH$LINK: CAS 53164-05-9
+CH$LINK: CHEMSPIDER 1904
+CH$LINK: INCHIKEY FSQKKOOTNAMONP-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:1981
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.263 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+PK$SPLASH: splash10-014i-0000900000-97ff5443bbbc8d615262
+PK$NUM_PEAK: 17
+PK$PEAK: m/z int. rel.int.
+  214.0 17780 13
+  293.1 14814 11
+  416.2 1407445 999
+  417.3 279773 199
+  418.3 303092 215
+  419.2 125866 89
+  420.2 15581 11
+  433.3 188021 133
+  434.3 53654 38
+  435.2 83339 59
+  436.3 16472 12
+  438.2 124599 88
+  439.2 29475 21
+  440.2 47575 34
+  454.2 117066 83
+  455.2 30007 21
+  456.1 28240 20
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01802.txt b/MSSJ/MSBNK-MSSJ-MSJ01802.txt
new file mode 100644
index 00000000000..c3910e805a0
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01802.txt
@@ -0,0 +1,42 @@
+ACCESSION: MSBNK-MSSJ-MSJ01802
+RECORD_TITLE: Acemetacin; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 10 V; [M+H]+
+DATE: 2023.03.28
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230328-2.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Acemetacin
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C21H18ClNO6
+CH$EXACT_MASS: 415.082263
+CH$SMILES: CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)OCC(=O)O
+CH$IUPAC: InChI=1S/C21H18ClNO6/c1-12-16(10-20(26)29-11-19(24)25)17-9-15(28-2)7-8-18(17)23(12)21(27)13-3-5-14(22)6-4-13/h3-9H,10-11H2,1-2H3,(H,24,25)
+CH$LINK: CAS 53164-05-9
+CH$LINK: CHEMSPIDER 1904
+CH$LINK: INCHIKEY FSQKKOOTNAMONP-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:1981
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.263 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 416.08954
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-014i-0411900000-fa51209f322fd3da51f8
+PK$NUM_PEAK: 5
+PK$PEAK: m/z int. rel.int.
+  139.1 30489 436
+  174.3 1466 21
+  260.2 12778 183
+  312.1 11515 165
+  416.1 69783 999
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01803.txt b/MSSJ/MSBNK-MSSJ-MSJ01803.txt
new file mode 100644
index 00000000000..645d3c2d172
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01803.txt
@@ -0,0 +1,44 @@
+ACCESSION: MSBNK-MSSJ-MSJ01803
+RECORD_TITLE: Acemetacin; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 20 V; [M+H]+
+DATE: 2023.03.28
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230328-2.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Acemetacin
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C21H18ClNO6
+CH$EXACT_MASS: 415.082263
+CH$SMILES: CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)OCC(=O)O
+CH$IUPAC: InChI=1S/C21H18ClNO6/c1-12-16(10-20(26)29-11-19(24)25)17-9-15(28-2)7-8-18(17)23(12)21(27)13-3-5-14(22)6-4-13/h3-9H,10-11H2,1-2H3,(H,24,25)
+CH$LINK: CAS 53164-05-9
+CH$LINK: CHEMSPIDER 1904
+CH$LINK: INCHIKEY FSQKKOOTNAMONP-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:1981
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.263 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 416.08954
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-000i-0900000000-17cdac6c050146e5ce94
+PK$NUM_PEAK: 7
+PK$PEAK: m/z int. rel.int.
+  111.1 2705 19
+  139.1 144319 999
+  174.2 19310 134
+  197.0 1885 13
+  260.3 4379 30
+  312.2 8579 59
+  416.4 3905 27
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01804.txt b/MSSJ/MSBNK-MSSJ-MSJ01804.txt
new file mode 100644
index 00000000000..c9da2ae5d44
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01804.txt
@@ -0,0 +1,40 @@
+ACCESSION: MSBNK-MSSJ-MSJ01804
+RECORD_TITLE: Acemetacin; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 30 V; [M+H]+
+DATE: 2023.03.28
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230328-2.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Acemetacin
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C21H18ClNO6
+CH$EXACT_MASS: 415.082263
+CH$SMILES: CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)OCC(=O)O
+CH$IUPAC: InChI=1S/C21H18ClNO6/c1-12-16(10-20(26)29-11-19(24)25)17-9-15(28-2)7-8-18(17)23(12)21(27)13-3-5-14(22)6-4-13/h3-9H,10-11H2,1-2H3,(H,24,25)
+CH$LINK: CAS 53164-05-9
+CH$LINK: CHEMSPIDER 1904
+CH$LINK: INCHIKEY FSQKKOOTNAMONP-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:1981
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.263 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 416.08954
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-000i-0900000000-b70687f68d36bf795c43
+PK$NUM_PEAK: 3
+PK$PEAK: m/z int. rel.int.
+  111.1 14210 96
+  139.1 148369 999
+  174.1 13105 88
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01805.txt b/MSSJ/MSBNK-MSSJ-MSJ01805.txt
new file mode 100644
index 00000000000..808ffa3d652
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01805.txt
@@ -0,0 +1,43 @@
+ACCESSION: MSBNK-MSSJ-MSJ01805
+RECORD_TITLE: Acemetacin; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 40 V; [M+H]+
+DATE: 2023.03.28
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230328-2.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Acemetacin
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C21H18ClNO6
+CH$EXACT_MASS: 415.082263
+CH$SMILES: CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)OCC(=O)O
+CH$IUPAC: InChI=1S/C21H18ClNO6/c1-12-16(10-20(26)29-11-19(24)25)17-9-15(28-2)7-8-18(17)23(12)21(27)13-3-5-14(22)6-4-13/h3-9H,10-11H2,1-2H3,(H,24,25)
+CH$LINK: CAS 53164-05-9
+CH$LINK: CHEMSPIDER 1904
+CH$LINK: INCHIKEY FSQKKOOTNAMONP-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:1981
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.263 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 416.08954
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-000i-0900000000-088fe68a63690a45aeee
+PK$NUM_PEAK: 6
+PK$PEAK: m/z int. rel.int.
+  89.4 1885 21
+  109.1 941 11
+  111.1 38216 427
+  139.1 89498 999
+  158.9 2358 26
+  174.2 7173 80
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01806.txt b/MSSJ/MSBNK-MSSJ-MSJ01806.txt
new file mode 100644
index 00000000000..6e6e4e0c1de
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01806.txt
@@ -0,0 +1,42 @@
+ACCESSION: MSBNK-MSSJ-MSJ01806
+RECORD_TITLE: Acemetacin; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 50 V; [M+H]+
+DATE: 2023.03.28
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230328-2.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Acemetacin
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C21H18ClNO6
+CH$EXACT_MASS: 415.082263
+CH$SMILES: CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)OCC(=O)O
+CH$IUPAC: InChI=1S/C21H18ClNO6/c1-12-16(10-20(26)29-11-19(24)25)17-9-15(28-2)7-8-18(17)23(12)21(27)13-3-5-14(22)6-4-13/h3-9H,10-11H2,1-2H3,(H,24,25)
+CH$LINK: CAS 53164-05-9
+CH$LINK: CHEMSPIDER 1904
+CH$LINK: INCHIKEY FSQKKOOTNAMONP-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:1981
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.263 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 416.08954
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-03dr-0900000000-25479e1852ba537d915e
+PK$NUM_PEAK: 5
+PK$PEAK: m/z int. rel.int.
+  75.2 2145 36
+  111.2 59295 999
+  131.2 1170 20
+  139.2 45682 770
+  307.7 753 13
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01807.txt b/MSSJ/MSBNK-MSSJ-MSJ01807.txt
new file mode 100644
index 00000000000..e19675d0766
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01807.txt
@@ -0,0 +1,38 @@
+ACCESSION: MSBNK-MSSJ-MSJ01807
+RECORD_TITLE: Acemetacin; LC-ESI-QQ; MS; ESI; NEGATIVE
+DATE: 2023.03.28
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230328-2.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Acemetacin
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C21H18ClNO6
+CH$EXACT_MASS: 415.082263
+CH$SMILES: CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)OCC(=O)O
+CH$IUPAC: InChI=1S/C21H18ClNO6/c1-12-16(10-20(26)29-11-19(24)25)17-9-15(28-2)7-8-18(17)23(12)21(27)13-3-5-14(22)6-4-13/h3-9H,10-11H2,1-2H3,(H,24,25)
+CH$LINK: CAS 53164-05-9
+CH$LINK: CHEMSPIDER 1904
+CH$LINK: INCHIKEY FSQKKOOTNAMONP-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:1981
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.263 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+PK$SPLASH: splash10-03xr-0000900000-66a87456b69364e078a3
+PK$NUM_PEAK: 5
+PK$PEAK: m/z int. rel.int.
+  414.1 8959889 999
+  415.2 2110110 235
+  416.1 3292939 367
+  417.1 742608 83
+  418.1 103300 12
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01808.txt b/MSSJ/MSBNK-MSSJ-MSJ01808.txt
new file mode 100644
index 00000000000..f12de11c609
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01808.txt
@@ -0,0 +1,40 @@
+ACCESSION: MSBNK-MSSJ-MSJ01808
+RECORD_TITLE: Acemetacin; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 10 V; [M-H]-
+DATE: 2023.03.28
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230328-2.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Acemetacin
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C21H18ClNO6
+CH$EXACT_MASS: 415.082263
+CH$SMILES: CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)OCC(=O)O
+CH$IUPAC: InChI=1S/C21H18ClNO6/c1-12-16(10-20(26)29-11-19(24)25)17-9-15(28-2)7-8-18(17)23(12)21(27)13-3-5-14(22)6-4-13/h3-9H,10-11H2,1-2H3,(H,24,25)
+CH$LINK: CAS 53164-05-9
+CH$LINK: CHEMSPIDER 1904
+CH$LINK: INCHIKEY FSQKKOOTNAMONP-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:1981
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.263 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 414.074986
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+PK$SPLASH: splash10-03di-4000900000-d41fd1f1efe8655b96ae
+PK$NUM_PEAK: 3
+PK$PEAK: m/z int. rel.int.
+  75.1 382475 495
+  312.1 13614 18
+  414.1 772141 999
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01809.txt b/MSSJ/MSBNK-MSSJ-MSJ01809.txt
new file mode 100644
index 00000000000..d9fd7c7e876
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01809.txt
@@ -0,0 +1,43 @@
+ACCESSION: MSBNK-MSSJ-MSJ01809
+RECORD_TITLE: Acemetacin; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 20 V; [M-H]-
+DATE: 2023.03.28
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230328-2.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Acemetacin
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C21H18ClNO6
+CH$EXACT_MASS: 415.082263
+CH$SMILES: CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)OCC(=O)O
+CH$IUPAC: InChI=1S/C21H18ClNO6/c1-12-16(10-20(26)29-11-19(24)25)17-9-15(28-2)7-8-18(17)23(12)21(27)13-3-5-14(22)6-4-13/h3-9H,10-11H2,1-2H3,(H,24,25)
+CH$LINK: CAS 53164-05-9
+CH$LINK: CHEMSPIDER 1904
+CH$LINK: INCHIKEY FSQKKOOTNAMONP-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:1981
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.263 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 414.074986
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+PK$SPLASH: splash10-004i-9000000000-41ff37e827e2c2c027c7
+PK$NUM_PEAK: 6
+PK$PEAK: m/z int. rel.int.
+  73.1 7114 12
+  75.1 570331 999
+  270.1 11061 19
+  297.1 9251 16
+  312.1 53368 93
+  414.1 6030 11
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01810.txt b/MSSJ/MSBNK-MSSJ-MSJ01810.txt
new file mode 100644
index 00000000000..b3d7b400173
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01810.txt
@@ -0,0 +1,49 @@
+ACCESSION: MSBNK-MSSJ-MSJ01810
+RECORD_TITLE: Acemetacin; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 30 V; [M-H]-
+DATE: 2023.03.28
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230328-2.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Acemetacin
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C21H18ClNO6
+CH$EXACT_MASS: 415.082263
+CH$SMILES: CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)OCC(=O)O
+CH$IUPAC: InChI=1S/C21H18ClNO6/c1-12-16(10-20(26)29-11-19(24)25)17-9-15(28-2)7-8-18(17)23(12)21(27)13-3-5-14(22)6-4-13/h3-9H,10-11H2,1-2H3,(H,24,25)
+CH$LINK: CAS 53164-05-9
+CH$LINK: CHEMSPIDER 1904
+CH$LINK: INCHIKEY FSQKKOOTNAMONP-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:1981
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.263 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 414.074986
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+PK$SPLASH: splash10-004i-9010000000-73e76b368cbef49229ea
+PK$NUM_PEAK: 12
+PK$PEAK: m/z int. rel.int.
+  45.0 4253 10
+  47.2 6820 16
+  73.1 7958 19
+  75.1 414490 999
+  111.0 7843 19
+  158.1 4163 10
+  255.0 6766 16
+  269.1 8261 20
+  270.2 4195 10
+  282.1 6063 15
+  297.0 34170 82
+  312.1 10669 26
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01811.txt b/MSSJ/MSBNK-MSSJ-MSJ01811.txt
new file mode 100644
index 00000000000..24e21750ff0
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01811.txt
@@ -0,0 +1,47 @@
+ACCESSION: MSBNK-MSSJ-MSJ01811
+RECORD_TITLE: Acemetacin; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 40 V; [M-H]-
+DATE: 2023.03.28
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230328-2.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Acemetacin
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C21H18ClNO6
+CH$EXACT_MASS: 415.082263
+CH$SMILES: CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)OCC(=O)O
+CH$IUPAC: InChI=1S/C21H18ClNO6/c1-12-16(10-20(26)29-11-19(24)25)17-9-15(28-2)7-8-18(17)23(12)21(27)13-3-5-14(22)6-4-13/h3-9H,10-11H2,1-2H3,(H,24,25)
+CH$LINK: CAS 53164-05-9
+CH$LINK: CHEMSPIDER 1904
+CH$LINK: INCHIKEY FSQKKOOTNAMONP-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:1981
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.263 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 414.074986
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+PK$SPLASH: splash10-004i-9010000000-56f815850ce5db73d76d
+PK$NUM_PEAK: 10
+PK$PEAK: m/z int. rel.int.
+  45.1 8674 28
+  47.2 6549 21
+  73.1 9463 31
+  75.1 309709 999
+  110.9 6966 22
+  158.1 21687 70
+  255.0 23223 75
+  269.1 5641 18
+  282.0 26710 86
+  297.1 13301 43
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01812.txt b/MSSJ/MSBNK-MSSJ-MSJ01812.txt
new file mode 100644
index 00000000000..4c4c3d783c7
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01812.txt
@@ -0,0 +1,50 @@
+ACCESSION: MSBNK-MSSJ-MSJ01812
+RECORD_TITLE: Acemetacin; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 50 V; [M-H]-
+DATE: 2023.03.28
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230328-2.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Acemetacin
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C21H18ClNO6
+CH$EXACT_MASS: 415.082263
+CH$SMILES: CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)OCC(=O)O
+CH$IUPAC: InChI=1S/C21H18ClNO6/c1-12-16(10-20(26)29-11-19(24)25)17-9-15(28-2)7-8-18(17)23(12)21(27)13-3-5-14(22)6-4-13/h3-9H,10-11H2,1-2H3,(H,24,25)
+CH$LINK: CAS 53164-05-9
+CH$LINK: CHEMSPIDER 1904
+CH$LINK: INCHIKEY FSQKKOOTNAMONP-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:1981
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.263 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 414.074986
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+PK$SPLASH: splash10-004i-9120000000-2b3676c4707216f2537f
+PK$NUM_PEAK: 13
+PK$PEAK: m/z int. rel.int.
+  35.2 2737 15
+  45.1 5986 33
+  47.1 14486 80
+  73.0 3451 19
+  75.0 181850 999
+  111.0 3380 19
+  158.1 22879 126
+  253.9 7669 42
+  255.0 6489 36
+  268.0 2807 15
+  269.0 4003 22
+  281.9 23319 128
+  297.0 2653 15
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01813.txt b/MSSJ/MSBNK-MSSJ-MSJ01813.txt
new file mode 100644
index 00000000000..47dc0e5f500
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01813.txt
@@ -0,0 +1,39 @@
+ACCESSION: MSBNK-MSSJ-MSJ01813
+RECORD_TITLE: Azelnidipine; LC-ESI-QQ; MS; ESI; POSITIVE
+DATE: 2023.03.28
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230328-2.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Azelnidipine
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C33H34N4O6
+CH$EXACT_MASS: 582.24782
+CH$SMILES: CC1=C(C(C(=C(N1)N)C(=O)OC2CN(C2)C(C3=CC=CC=C3)C4=CC=CC=C4)C5=CC(=CC=C5)[N+](=O)[O-])C(=O)OC(C)C
+CH$IUPAC: InChI=1S/C33H34N4O6/c1-20(2)42-32(38)27-21(3)35-31(34)29(28(27)24-15-10-16-25(17-24)37(40)41)33(39)43-26-18-36(19-26)30(22-11-6-4-7-12-22)23-13-8-5-9-14-23/h4-17,20,26,28,30,35H,18-19,34H2,1-3H3
+CH$LINK: CAS 123524-52-7
+CH$LINK: CHEMSPIDER 59352
+CH$LINK: INCHIKEY ZKFQEACEUNWPMT-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:65948
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 11.165 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+PK$SPLASH: splash10-001i-0000090000-77af7bbdca80206de63a
+PK$NUM_PEAK: 6
+PK$PEAK: m/z int. rel.int.
+  165.2 42339 21
+  310.3 27641 14
+  583.4 1968732 999
+  584.4 605984 307
+  585.4 138429 70
+  586.4 20767 11
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01814.txt b/MSSJ/MSBNK-MSSJ-MSJ01814.txt
new file mode 100644
index 00000000000..091333c9dd7
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01814.txt
@@ -0,0 +1,39 @@
+ACCESSION: MSBNK-MSSJ-MSJ01814
+RECORD_TITLE: Azelnidipine; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 10 V; [M+H]+
+DATE: 2023.03.28
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230328-2.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Azelnidipine
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C33H34N4O6
+CH$EXACT_MASS: 582.24782
+CH$SMILES: CC1=C(C(C(=C(N1)N)C(=O)OC2CN(C2)C(C3=CC=CC=C3)C4=CC=CC=C4)C5=CC(=CC=C5)[N+](=O)[O-])C(=O)OC(C)C
+CH$IUPAC: InChI=1S/C33H34N4O6/c1-20(2)42-32(38)27-21(3)35-31(34)29(28(27)24-15-10-16-25(17-24)37(40)41)33(39)43-26-18-36(19-26)30(22-11-6-4-7-12-22)23-13-8-5-9-14-23/h4-17,20,26,28,30,35H,18-19,34H2,1-3H3
+CH$LINK: CAS 123524-52-7
+CH$LINK: CHEMSPIDER 59352
+CH$LINK: INCHIKEY ZKFQEACEUNWPMT-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:65948
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 11.165 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 583.255097
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-001i-0000090000-cf8001ced62d452e052f
+PK$NUM_PEAK: 2
+PK$PEAK: m/z int. rel.int.
+  167.2 130667 77
+  583.4 1687643 999
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01815.txt b/MSSJ/MSBNK-MSSJ-MSJ01815.txt
new file mode 100644
index 00000000000..0a8c9e11f19
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01815.txt
@@ -0,0 +1,41 @@
+ACCESSION: MSBNK-MSSJ-MSJ01815
+RECORD_TITLE: Azelnidipine; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 20 V; [M+H]+
+DATE: 2023.03.28
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230328-2.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Azelnidipine
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C33H34N4O6
+CH$EXACT_MASS: 582.24782
+CH$SMILES: CC1=C(C(C(=C(N1)N)C(=O)OC2CN(C2)C(C3=CC=CC=C3)C4=CC=CC=C4)C5=CC(=CC=C5)[N+](=O)[O-])C(=O)OC(C)C
+CH$IUPAC: InChI=1S/C33H34N4O6/c1-20(2)42-32(38)27-21(3)35-31(34)29(28(27)24-15-10-16-25(17-24)37(40)41)33(39)43-26-18-36(19-26)30(22-11-6-4-7-12-22)23-13-8-5-9-14-23/h4-17,20,26,28,30,35H,18-19,34H2,1-3H3
+CH$LINK: CAS 123524-52-7
+CH$LINK: CHEMSPIDER 59352
+CH$LINK: INCHIKEY ZKFQEACEUNWPMT-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:65948
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 11.165 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 583.255097
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-014i-0900020000-d8c9a6ef1f0ab2e89712
+PK$NUM_PEAK: 4
+PK$PEAK: m/z int. rel.int.
+  167.3 1574202 999
+  222.3 17380 11
+  240.2 79850 51
+  583.4 493146 313
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01816.txt b/MSSJ/MSBNK-MSSJ-MSJ01816.txt
new file mode 100644
index 00000000000..113250fafc2
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01816.txt
@@ -0,0 +1,40 @@
+ACCESSION: MSBNK-MSSJ-MSJ01816
+RECORD_TITLE: Azelnidipine; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 30 V; [M+H]+
+DATE: 2023.03.28
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230328-2.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Azelnidipine
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C33H34N4O6
+CH$EXACT_MASS: 582.24782
+CH$SMILES: CC1=C(C(C(=C(N1)N)C(=O)OC2CN(C2)C(C3=CC=CC=C3)C4=CC=CC=C4)C5=CC(=CC=C5)[N+](=O)[O-])C(=O)OC(C)C
+CH$IUPAC: InChI=1S/C33H34N4O6/c1-20(2)42-32(38)27-21(3)35-31(34)29(28(27)24-15-10-16-25(17-24)37(40)41)33(39)43-26-18-36(19-26)30(22-11-6-4-7-12-22)23-13-8-5-9-14-23/h4-17,20,26,28,30,35H,18-19,34H2,1-3H3
+CH$LINK: CAS 123524-52-7
+CH$LINK: CHEMSPIDER 59352
+CH$LINK: INCHIKEY ZKFQEACEUNWPMT-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:65948
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 11.165 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 583.255097
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-014i-0900000000-5ba8f21b7c78aa3d025c
+PK$NUM_PEAK: 3
+PK$PEAK: m/z int. rel.int.
+  152.2 31943 12
+  165.2 38508 14
+  167.2 2692172 999
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01817.txt b/MSSJ/MSBNK-MSSJ-MSJ01817.txt
new file mode 100644
index 00000000000..b763e6724d0
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01817.txt
@@ -0,0 +1,41 @@
+ACCESSION: MSBNK-MSSJ-MSJ01817
+RECORD_TITLE: Azelnidipine; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 40 V; [M+H]+
+DATE: 2023.03.28
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230328-2.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Azelnidipine
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C33H34N4O6
+CH$EXACT_MASS: 582.24782
+CH$SMILES: CC1=C(C(C(=C(N1)N)C(=O)OC2CN(C2)C(C3=CC=CC=C3)C4=CC=CC=C4)C5=CC(=CC=C5)[N+](=O)[O-])C(=O)OC(C)C
+CH$IUPAC: InChI=1S/C33H34N4O6/c1-20(2)42-32(38)27-21(3)35-31(34)29(28(27)24-15-10-16-25(17-24)37(40)41)33(39)43-26-18-36(19-26)30(22-11-6-4-7-12-22)23-13-8-5-9-14-23/h4-17,20,26,28,30,35H,18-19,34H2,1-3H3
+CH$LINK: CAS 123524-52-7
+CH$LINK: CHEMSPIDER 59352
+CH$LINK: INCHIKEY ZKFQEACEUNWPMT-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:65948
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 11.165 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 583.255097
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-014i-0900000000-0201c86bff367ef2de43
+PK$NUM_PEAK: 4
+PK$PEAK: m/z int. rel.int.
+  152.2 68007 31
+  165.2 107546 50
+  166.2 31021 14
+  167.2 2167777 999
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01818.txt b/MSSJ/MSBNK-MSSJ-MSJ01818.txt
new file mode 100644
index 00000000000..87d4b5126e1
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01818.txt
@@ -0,0 +1,42 @@
+ACCESSION: MSBNK-MSSJ-MSJ01818
+RECORD_TITLE: Azelnidipine; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 50 V; [M+H]+
+DATE: 2023.03.28
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230328-2.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Azelnidipine
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C33H34N4O6
+CH$EXACT_MASS: 582.24782
+CH$SMILES: CC1=C(C(C(=C(N1)N)C(=O)OC2CN(C2)C(C3=CC=CC=C3)C4=CC=CC=C4)C5=CC(=CC=C5)[N+](=O)[O-])C(=O)OC(C)C
+CH$IUPAC: InChI=1S/C33H34N4O6/c1-20(2)42-32(38)27-21(3)35-31(34)29(28(27)24-15-10-16-25(17-24)37(40)41)33(39)43-26-18-36(19-26)30(22-11-6-4-7-12-22)23-13-8-5-9-14-23/h4-17,20,26,28,30,35H,18-19,34H2,1-3H3
+CH$LINK: CAS 123524-52-7
+CH$LINK: CHEMSPIDER 59352
+CH$LINK: INCHIKEY ZKFQEACEUNWPMT-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:65948
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 11.165 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 583.255097
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-014i-0900000000-b2bf632e88de033e2220
+PK$NUM_PEAK: 5
+PK$PEAK: m/z int. rel.int.
+  151.2 19444 12
+  152.2 160594 98
+  165.2 211022 129
+  166.2 73091 45
+  167.2 1632915 999
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01819.txt b/MSSJ/MSBNK-MSSJ-MSJ01819.txt
new file mode 100644
index 00000000000..d1606c42df8
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01819.txt
@@ -0,0 +1,49 @@
+ACCESSION: MSBNK-MSSJ-MSJ01819
+RECORD_TITLE: Azelnidipine; LC-ESI-QQ; MS; ESI; NEGATIVE
+DATE: 2023.03.28
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230328-2.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Azelnidipine
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C33H34N4O6
+CH$EXACT_MASS: 582.24782
+CH$SMILES: CC1=C(C(C(=C(N1)N)C(=O)OC2CN(C2)C(C3=CC=CC=C3)C4=CC=CC=C4)C5=CC(=CC=C5)[N+](=O)[O-])C(=O)OC(C)C
+CH$IUPAC: InChI=1S/C33H34N4O6/c1-20(2)42-32(38)27-21(3)35-31(34)29(28(27)24-15-10-16-25(17-24)37(40)41)33(39)43-26-18-36(19-26)30(22-11-6-4-7-12-22)23-13-8-5-9-14-23/h4-17,20,26,28,30,35H,18-19,34H2,1-3H3
+CH$LINK: CAS 123524-52-7
+CH$LINK: CHEMSPIDER 59352
+CH$LINK: INCHIKEY ZKFQEACEUNWPMT-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:65948
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 11.165 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+PK$SPLASH: splash10-001i-0000092000-c2647aeadd00b1a874a6
+PK$NUM_PEAK: 16
+PK$PEAK: m/z int. rel.int.
+  293.2 27095 34
+  325.2 38067 48
+  342.1 16231 21
+  581.3 786378 999
+  582.3 286261 364
+  583.3 67702 86
+  584.3 9585 12
+  617.3 95379 121
+  618.3 47253 60
+  619.3 41536 53
+  620.3 15275 19
+  627.3 24338 31
+  628.3 13176 17
+  644.3 56031 71
+  645.3 15698 20
+  671.4 22420 28
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01820.txt b/MSSJ/MSBNK-MSSJ-MSJ01820.txt
new file mode 100644
index 00000000000..1ee9c256ca8
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01820.txt
@@ -0,0 +1,39 @@
+ACCESSION: MSBNK-MSSJ-MSJ01820
+RECORD_TITLE: Azelnidipine; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 10 V; [M-H]-
+DATE: 2023.03.28
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230328-2.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Azelnidipine
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C33H34N4O6
+CH$EXACT_MASS: 582.24782
+CH$SMILES: CC1=C(C(C(=C(N1)N)C(=O)OC2CN(C2)C(C3=CC=CC=C3)C4=CC=CC=C4)C5=CC(=CC=C5)[N+](=O)[O-])C(=O)OC(C)C
+CH$IUPAC: InChI=1S/C33H34N4O6/c1-20(2)42-32(38)27-21(3)35-31(34)29(28(27)24-15-10-16-25(17-24)37(40)41)33(39)43-26-18-36(19-26)30(22-11-6-4-7-12-22)23-13-8-5-9-14-23/h4-17,20,26,28,30,35H,18-19,34H2,1-3H3
+CH$LINK: CAS 123524-52-7
+CH$LINK: CHEMSPIDER 59352
+CH$LINK: INCHIKEY ZKFQEACEUNWPMT-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:65948
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 11.165 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 581.240543
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+PK$SPLASH: splash10-001i-0000090000-96e645e9ce38cfa86f9d
+PK$NUM_PEAK: 2
+PK$PEAK: m/z int. rel.int.
+  342.2 244759 104
+  581.3 2350424 999
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01821.txt b/MSSJ/MSBNK-MSSJ-MSJ01821.txt
new file mode 100644
index 00000000000..72d9b326997
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01821.txt
@@ -0,0 +1,43 @@
+ACCESSION: MSBNK-MSSJ-MSJ01821
+RECORD_TITLE: Azelnidipine; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 20 V; [M-H]-
+DATE: 2023.03.28
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230328-2.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Azelnidipine
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C33H34N4O6
+CH$EXACT_MASS: 582.24782
+CH$SMILES: CC1=C(C(C(=C(N1)N)C(=O)OC2CN(C2)C(C3=CC=CC=C3)C4=CC=CC=C4)C5=CC(=CC=C5)[N+](=O)[O-])C(=O)OC(C)C
+CH$IUPAC: InChI=1S/C33H34N4O6/c1-20(2)42-32(38)27-21(3)35-31(34)29(28(27)24-15-10-16-25(17-24)37(40)41)33(39)43-26-18-36(19-26)30(22-11-6-4-7-12-22)23-13-8-5-9-14-23/h4-17,20,26,28,30,35H,18-19,34H2,1-3H3
+CH$LINK: CAS 123524-52-7
+CH$LINK: CHEMSPIDER 59352
+CH$LINK: INCHIKEY ZKFQEACEUNWPMT-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:65948
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 11.165 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 581.240543
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+PK$SPLASH: splash10-0006-0009020000-20bdd9115ac617606f7e
+PK$NUM_PEAK: 6
+PK$PEAK: m/z int. rel.int.
+  176.9 21293 17
+  282.1 30615 24
+  299.0 56876 45
+  342.2 1269902 999
+  458.3 15007 12
+  581.3 324207 255
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01822.txt b/MSSJ/MSBNK-MSSJ-MSJ01822.txt
new file mode 100644
index 00000000000..8215a3168bf
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01822.txt
@@ -0,0 +1,50 @@
+ACCESSION: MSBNK-MSSJ-MSJ01822
+RECORD_TITLE: Azelnidipine; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 30 V; [M-H]-
+DATE: 2023.03.28
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230328-2.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Azelnidipine
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C33H34N4O6
+CH$EXACT_MASS: 582.24782
+CH$SMILES: CC1=C(C(C(=C(N1)N)C(=O)OC2CN(C2)C(C3=CC=CC=C3)C4=CC=CC=C4)C5=CC(=CC=C5)[N+](=O)[O-])C(=O)OC(C)C
+CH$IUPAC: InChI=1S/C33H34N4O6/c1-20(2)42-32(38)27-21(3)35-31(34)29(28(27)24-15-10-16-25(17-24)37(40)41)33(39)43-26-18-36(19-26)30(22-11-6-4-7-12-22)23-13-8-5-9-14-23/h4-17,20,26,28,30,35H,18-19,34H2,1-3H3
+CH$LINK: CAS 123524-52-7
+CH$LINK: CHEMSPIDER 59352
+CH$LINK: INCHIKEY ZKFQEACEUNWPMT-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:65948
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 11.165 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 581.240543
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+PK$SPLASH: splash10-0006-0239000000-7b8c55265a100911ecbc
+PK$NUM_PEAK: 13
+PK$PEAK: m/z int. rel.int.
+  107.1 71423 80
+  122.0 13831 16
+  133.0 11612 13
+  177.0 180717 204
+  193.1 15894 18
+  214.0 27635 31
+  237.0 15523 17
+  254.1 47038 53
+  255.1 12798 14
+  282.1 97320 110
+  299.0 186877 211
+  300.1 23380 26
+  342.2 886762 999
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01823.txt b/MSSJ/MSBNK-MSSJ-MSJ01823.txt
new file mode 100644
index 00000000000..479a5ae3682
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01823.txt
@@ -0,0 +1,86 @@
+ACCESSION: MSBNK-MSSJ-MSJ01823
+RECORD_TITLE: Azelnidipine; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 40 V; [M-H]-
+DATE: 2023.03.28
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230328-2.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Azelnidipine
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C33H34N4O6
+CH$EXACT_MASS: 582.24782
+CH$SMILES: CC1=C(C(C(=C(N1)N)C(=O)OC2CN(C2)C(C3=CC=CC=C3)C4=CC=CC=C4)C5=CC(=CC=C5)[N+](=O)[O-])C(=O)OC(C)C
+CH$IUPAC: InChI=1S/C33H34N4O6/c1-20(2)42-32(38)27-21(3)35-31(34)29(28(27)24-15-10-16-25(17-24)37(40)41)33(39)43-26-18-36(19-26)30(22-11-6-4-7-12-22)23-13-8-5-9-14-23/h4-17,20,26,28,30,35H,18-19,34H2,1-3H3
+CH$LINK: CAS 123524-52-7
+CH$LINK: CHEMSPIDER 59352
+CH$LINK: INCHIKEY ZKFQEACEUNWPMT-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:65948
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 11.165 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 581.240543
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+PK$SPLASH: splash10-004i-0982000000-7311a2e786f87f897918
+PK$NUM_PEAK: 49
+PK$PEAK: m/z int. rel.int.
+  41.2 5915 13
+  42.0 5528 12
+  46.1 8818 20
+  66.1 11311 25
+  92.2 4793 11
+  107.0 129528 291
+  120.1 5593 13
+  122.0 20778 47
+  133.1 14988 34
+  161.0 6583 15
+  162.0 4822 11
+  167.1 9291 21
+  169.1 9462 21
+  173.0 13854 31
+  177.0 444510 999
+  180.2 5861 13
+  183.2 7690 17
+  184.9 4647 10
+  187.1 6015 14
+  193.1 26033 59
+  208.1 12848 29
+  210.1 15080 34
+  211.1 12259 28
+  213.0 20616 46
+  214.0 63004 142
+  219.0 17052 38
+  225.0 13639 31
+  226.1 37075 83
+  227.0 4687 11
+  228.1 9103 20
+  229.1 9133 21
+  237.1 9891 22
+  238.0 16454 37
+  239.2 7222 16
+  240.0 12479 28
+  240.9 5294 12
+  252.1 6028 14
+  254.0 67126 151
+  255.1 11865 27
+  256.1 17076 38
+  273.1 22721 51
+  282.0 101353 228
+  283.2 5629 13
+  284.2 5106 11
+  299.1 144706 325
+  300.1 23895 54
+  315.0 5624 13
+  325.6 6747 15
+  342.1 136454 307
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01824.txt b/MSSJ/MSBNK-MSSJ-MSJ01824.txt
new file mode 100644
index 00000000000..8cbb2f50579
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01824.txt
@@ -0,0 +1,89 @@
+ACCESSION: MSBNK-MSSJ-MSJ01824
+RECORD_TITLE: Azelnidipine; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 50 V; [M-H]-
+DATE: 2023.03.28
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230328-2.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Azelnidipine
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C33H34N4O6
+CH$EXACT_MASS: 582.24782
+CH$SMILES: CC1=C(C(C(=C(N1)N)C(=O)OC2CN(C2)C(C3=CC=CC=C3)C4=CC=CC=C4)C5=CC(=CC=C5)[N+](=O)[O-])C(=O)OC(C)C
+CH$IUPAC: InChI=1S/C33H34N4O6/c1-20(2)42-32(38)27-21(3)35-31(34)29(28(27)24-15-10-16-25(17-24)37(40)41)33(39)43-26-18-36(19-26)30(22-11-6-4-7-12-22)23-13-8-5-9-14-23/h4-17,20,26,28,30,35H,18-19,34H2,1-3H3
+CH$LINK: CAS 123524-52-7
+CH$LINK: CHEMSPIDER 59352
+CH$LINK: INCHIKEY ZKFQEACEUNWPMT-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:65948
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 11.165 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 581.240543
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+PK$SPLASH: splash10-004i-0940000000-dbf5a7a5987b823d68ef
+PK$NUM_PEAK: 52
+PK$PEAK: m/z int. rel.int.
+  41.2 10107 22
+  46.3 11071 24
+  66.1 15887 35
+  79.0 4594 10
+  92.1 9410 21
+  105.1 10625 24
+  107.1 95901 212
+  121.9 16463 36
+  133.1 51079 113
+  139.1 6924 15
+  150.2 5010 11
+  155.1 5032 11
+  160.9 4563 10
+  162.1 6928 15
+  167.9 4591 10
+  169.0 7242 16
+  173.0 10372 23
+  177.0 451620 999
+  180.0 11624 26
+  181.1 6047 13
+  184.0 8857 20
+  185.0 20263 45
+  186.0 7274 16
+  193.1 13450 30
+  196.2 5845 13
+  197.0 5361 12
+  208.0 16937 37
+  210.0 21737 48
+  211.1 7025 16
+  213.0 28933 64
+  214.0 27279 60
+  216.1 6952 15
+  219.1 6809 15
+  225.1 11446 25
+  226.0 32986 73
+  227.0 6518 14
+  228.1 16569 37
+  229.1 5022 11
+  238.1 16846 37
+  239.0 4526 10
+  240.0 15826 35
+  241.1 7506 17
+  252.0 12791 28
+  254.0 51851 115
+  256.1 8812 19
+  273.2 17249 38
+  282.0 40892 90
+  284.0 5708 13
+  298.1 18383 41
+  299.1 16208 36
+  300.2 7759 17
+  342.1 11063 24
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01825.txt b/MSSJ/MSBNK-MSSJ-MSJ01825.txt
new file mode 100644
index 00000000000..0baf2efa658
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01825.txt
@@ -0,0 +1,37 @@
+ACCESSION: MSBNK-MSSJ-MSJ01825
+RECORD_TITLE: Amantadine; LC-ESI-QQ; MS; ESI; POSITIVE
+DATE: 2023.03.28
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230328-3.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Amantadine
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C10H17N
+CH$EXACT_MASS: 151.136095
+CH$SMILES: C1C2CC3CC1CC(C2)(C3)N
+CH$IUPAC: InChI=1S/C10H17N/c11-10-4-7-1-8(5-10)3-9(2-7)6-10/h7-9H,1-6,11H2
+CH$LINK: CAS 768-94-5
+CH$LINK: CHEMSPIDER 2045
+CH$LINK: INCHIKEY DKNWSYNQZKUICI-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:2130
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 6.176 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+PK$SPLASH: splash10-0udi-0900000000-906a7b571d7e1523043c
+PK$NUM_PEAK: 4
+PK$PEAK: m/z int. rel.int.
+  135.2 161204 211
+  136.3 16509 22
+  152.2 763639 999
+  153.3 83771 110
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01826.txt b/MSSJ/MSBNK-MSSJ-MSJ01826.txt
new file mode 100644
index 00000000000..7d891e6d879
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01826.txt
@@ -0,0 +1,41 @@
+ACCESSION: MSBNK-MSSJ-MSJ01826
+RECORD_TITLE: Amantadine; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 10 V; [M+H]+
+DATE: 2023.03.28
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230328-3.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Amantadine
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C10H17N
+CH$EXACT_MASS: 151.136095
+CH$SMILES: C1C2CC3CC1CC(C2)(C3)N
+CH$IUPAC: InChI=1S/C10H17N/c11-10-4-7-1-8(5-10)3-9(2-7)6-10/h7-9H,1-6,11H2
+CH$LINK: CAS 768-94-5
+CH$LINK: CHEMSPIDER 2045
+CH$LINK: INCHIKEY DKNWSYNQZKUICI-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:2130
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 6.176 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 152.143372
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-0f79-0900000000-94ca2979e08a7102aba2
+PK$NUM_PEAK: 4
+PK$PEAK: m/z int. rel.int.
+  93.1 6898 16
+  107.2 10895 26
+  135.2 418418 999
+  152.3 404557 966
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01827.txt b/MSSJ/MSBNK-MSSJ-MSJ01827.txt
new file mode 100644
index 00000000000..20f85523bc7
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01827.txt
@@ -0,0 +1,46 @@
+ACCESSION: MSBNK-MSSJ-MSJ01827
+RECORD_TITLE: Amantadine; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 20 V; [M+H]+
+DATE: 2023.03.28
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230328-3.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Amantadine
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C10H17N
+CH$EXACT_MASS: 151.136095
+CH$SMILES: C1C2CC3CC1CC(C2)(C3)N
+CH$IUPAC: InChI=1S/C10H17N/c11-10-4-7-1-8(5-10)3-9(2-7)6-10/h7-9H,1-6,11H2
+CH$LINK: CAS 768-94-5
+CH$LINK: CHEMSPIDER 2045
+CH$LINK: INCHIKEY DKNWSYNQZKUICI-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:2130
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 6.176 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 152.143372
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-000i-1900000000-33797a9113a1678e043d
+PK$NUM_PEAK: 9
+PK$PEAK: m/z int. rel.int.
+  67.2 8103 12
+  77.2 7384 11
+  79.2 43669 66
+  81.3 11498 17
+  91.1 8310 12
+  93.2 47826 72
+  107.2 41368 62
+  135.2 666031 999
+  152.3 231675 347
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01828.txt b/MSSJ/MSBNK-MSSJ-MSJ01828.txt
new file mode 100644
index 00000000000..1515ef21296
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01828.txt
@@ -0,0 +1,41 @@
+ACCESSION: MSBNK-MSSJ-MSJ01828
+RECORD_TITLE: Amantadine; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 30 V; [M+H]+
+DATE: 2023.03.28
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230328-3.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Amantadine
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C10H17N
+CH$EXACT_MASS: 151.136095
+CH$SMILES: C1C2CC3CC1CC(C2)(C3)N
+CH$IUPAC: InChI=1S/C10H17N/c11-10-4-7-1-8(5-10)3-9(2-7)6-10/h7-9H,1-6,11H2
+CH$LINK: CAS 768-94-5
+CH$LINK: CHEMSPIDER 2045
+CH$LINK: INCHIKEY DKNWSYNQZKUICI-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:2130
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 6.176 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 152.143372
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-0f79-0900000000-94ca2979e08a7102aba2
+PK$NUM_PEAK: 4
+PK$PEAK: m/z int. rel.int.
+  93.1 6898 16
+  107.2 10895 26
+  135.2 418418 999
+  152.3 404557 966
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01829.txt b/MSSJ/MSBNK-MSSJ-MSJ01829.txt
new file mode 100644
index 00000000000..fa1c788b5c4
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01829.txt
@@ -0,0 +1,57 @@
+ACCESSION: MSBNK-MSSJ-MSJ01829
+RECORD_TITLE: Amantadine; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 40 V; [M+H]+
+DATE: 2023.03.28
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230328-3.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Amantadine
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C10H17N
+CH$EXACT_MASS: 151.136095
+CH$SMILES: C1C2CC3CC1CC(C2)(C3)N
+CH$IUPAC: InChI=1S/C10H17N/c11-10-4-7-1-8(5-10)3-9(2-7)6-10/h7-9H,1-6,11H2
+CH$LINK: CAS 768-94-5
+CH$LINK: CHEMSPIDER 2045
+CH$LINK: INCHIKEY DKNWSYNQZKUICI-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:2130
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 6.176 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 152.143372
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-004l-9100000000-d7aa9093504b86df3e7f
+PK$NUM_PEAK: 20
+PK$PEAK: m/z int. rel.int.
+  29.3 2564 25
+  39.2 5745 57
+  41.3 16650 164
+  43.3 3061 30
+  51.2 10690 106
+  53.2 11564 114
+  55.3 22975 227
+  65.2 6102 60
+  67.2 24674 244
+  69.2 6943 69
+  77.2 101153 999
+  79.2 93447 923
+  81.3 34426 340
+  91.2 52973 523
+  93.2 56730 560
+  105.2 6316 62
+  107.2 26369 260
+  133.3 2864 28
+  135.2 51441 508
+  151.8 1791 18
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01830.txt b/MSSJ/MSBNK-MSSJ-MSJ01830.txt
new file mode 100644
index 00000000000..0da4d75a7ac
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01830.txt
@@ -0,0 +1,58 @@
+ACCESSION: MSBNK-MSSJ-MSJ01830
+RECORD_TITLE: Amantadine; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 50 V; [M+H]+
+DATE: 2023.03.28
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230328-3.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Amantadine
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C10H17N
+CH$EXACT_MASS: 151.136095
+CH$SMILES: C1C2CC3CC1CC(C2)(C3)N
+CH$IUPAC: InChI=1S/C10H17N/c11-10-4-7-1-8(5-10)3-9(2-7)6-10/h7-9H,1-6,11H2
+CH$LINK: CAS 768-94-5
+CH$LINK: CHEMSPIDER 2045
+CH$LINK: INCHIKEY DKNWSYNQZKUICI-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:2130
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 6.176 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 152.143372
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-004i-9000000000-f7b2221b1d5a071676b1
+PK$NUM_PEAK: 21
+PK$PEAK: m/z int. rel.int.
+  27.3 2170 20
+  29.3 7914 72
+  39.3 11956 109
+  41.2 29440 269
+  51.2 20425 187
+  52.2 1179 11
+  53.2 10507 96
+  55.1 9571 88
+  65.2 14045 129
+  66.3 1156 11
+  67.3 16760 153
+  77.2 109184 999
+  79.2 46287 424
+  81.3 13009 119
+  91.2 29764 272
+  93.2 17439 160
+  105.2 2974 27
+  107.2 5424 50
+  135.1 7928 73
+  150.9 1325 12
+  152.4 1257 12
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01831.txt b/MSSJ/MSBNK-MSSJ-MSJ01831.txt
new file mode 100644
index 00000000000..0b0768dcc47
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01831.txt
@@ -0,0 +1,64 @@
+ACCESSION: MSBNK-MSSJ-MSJ01831
+RECORD_TITLE: Amlodipine; LC-ESI-QQ; MS; ESI; POSITIVE
+DATE: 2023.03.28
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230328-3.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Amlodipine
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C20H25ClN2O5
+CH$EXACT_MASS: 408.145193
+CH$SMILES: CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2Cl)C(=O)OC)C)COCCN
+CH$IUPAC: InChI=1S/C20H25ClN2O5/c1-4-28-20(25)18-15(11-27-10-9-22)23-12(2)16(19(24)26-3)17(18)13-7-5-6-8-14(13)21/h5-8,17,23H,4,9-11,22H2,1-3H3
+CH$LINK: CAS 88150-42-9
+CH$LINK: CHEMSPIDER 2077
+CH$LINK: INCHIKEY HTIQEAQVCYTUBX-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:2162
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.556 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+PK$SPLASH: splash10-0btl-0080900000-345ceff0b0f79ea932c8
+PK$NUM_PEAK: 31
+PK$PEAK: m/z int. rel.int.
+  149.1 50949 11
+  206.1 98271 21
+  208.1 65635 14
+  214.2 206670 43
+  220.1 65422 14
+  231.2 62015 13
+  238.2 2755957 579
+  239.2 404773 85
+  240.2 1068712 224
+  241.2 117359 25
+  294.2 2605530 547
+  295.2 515834 108
+  296.2 899266 189
+  297.2 123134 26
+  377.3 186481 39
+  379.3 105307 22
+  392.3 165662 35
+  394.2 80632 17
+  409.3 4757617 999
+  410.3 1023879 215
+  411.3 1656188 348
+  412.3 321620 68
+  413.3 53545 11
+  415.3 69890 15
+  431.3 818519 172
+  432.2 162409 34
+  433.3 260014 55
+  447.2 201804 42
+  448.3 59929 13
+  449.2 127991 27
+  499.3 61711 13
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01832.txt b/MSSJ/MSBNK-MSSJ-MSJ01832.txt
new file mode 100644
index 00000000000..02dfdccf67e
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01832.txt
@@ -0,0 +1,44 @@
+ACCESSION: MSBNK-MSSJ-MSJ01832
+RECORD_TITLE: Amlodipine; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 10 V; [M+H]+
+DATE: 2023.03.28
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230328-3.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Amlodipine
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C20H25ClN2O5
+CH$EXACT_MASS: 408.145193
+CH$SMILES: CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2Cl)C(=O)OC)C)COCCN
+CH$IUPAC: InChI=1S/C20H25ClN2O5/c1-4-28-20(25)18-15(11-27-10-9-22)23-12(2)16(19(24)26-3)17(18)13-7-5-6-8-14(13)21/h5-8,17,23H,4,9-11,22H2,1-3H3
+CH$LINK: CAS 88150-42-9
+CH$LINK: CHEMSPIDER 2077
+CH$LINK: INCHIKEY HTIQEAQVCYTUBX-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:2162
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 6.176 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 409.15247
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-000i-0090000000-8746873342f224146b2b
+PK$NUM_PEAK: 7
+PK$PEAK: m/z int. rel.int.
+  142.1 3267 10
+  206.1 5698 17
+  238.1 326497 999
+  294.2 132007 404
+  377.2 8479 26
+  392.3 11688 36
+  409.3 40590 124
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01833.txt b/MSSJ/MSBNK-MSSJ-MSJ01833.txt
new file mode 100644
index 00000000000..80e2776efe2
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01833.txt
@@ -0,0 +1,56 @@
+ACCESSION: MSBNK-MSSJ-MSJ01833
+RECORD_TITLE: Amlodipine; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 20 V; [M+H]+
+DATE: 2023.03.28
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230328-3.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Amlodipine
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C20H25ClN2O5
+CH$EXACT_MASS: 408.145193
+CH$SMILES: CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2Cl)C(=O)OC)C)COCCN
+CH$IUPAC: InChI=1S/C20H25ClN2O5/c1-4-28-20(25)18-15(11-27-10-9-22)23-12(2)16(19(24)26-3)17(18)13-7-5-6-8-14(13)21/h5-8,17,23H,4,9-11,22H2,1-3H3
+CH$LINK: CAS 88150-42-9
+CH$LINK: CHEMSPIDER 2077
+CH$LINK: INCHIKEY HTIQEAQVCYTUBX-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:2162
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 6.176 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 409.15247
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-000l-0090000000-9a2209ada852e855c657
+PK$NUM_PEAK: 19
+PK$PEAK: m/z int. rel.int.
+  44.4 4539 24
+  164.9 2280 12
+  170.2 2937 16
+  185.3 2629 14
+  202.1 3024 16
+  206.0 30857 166
+  208.3 6112 33
+  213.1 1947 10
+  220.2 17736 95
+  230.0 3528 19
+  238.1 185724 999
+  248.2 5832 31
+  294.2 94254 507
+  295.3 2147 12
+  303.2 3636 20
+  320.3 2149 12
+  334.1 4593 25
+  360.2 1935 10
+  377.2 20383 110
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01834.txt b/MSSJ/MSBNK-MSSJ-MSJ01834.txt
new file mode 100644
index 00000000000..3fb36721d4e
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01834.txt
@@ -0,0 +1,107 @@
+ACCESSION: MSBNK-MSSJ-MSJ01834
+RECORD_TITLE: Amlodipine; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 30 V; [M+H]+
+DATE: 2023.03.28
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230328-3.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Amlodipine
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C20H25ClN2O5
+CH$EXACT_MASS: 408.145193
+CH$SMILES: CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2Cl)C(=O)OC)C)COCCN
+CH$IUPAC: InChI=1S/C20H25ClN2O5/c1-4-28-20(25)18-15(11-27-10-9-22)23-12(2)16(19(24)26-3)17(18)13-7-5-6-8-14(13)21/h5-8,17,23H,4,9-11,22H2,1-3H3
+CH$LINK: CAS 88150-42-9
+CH$LINK: CHEMSPIDER 2077
+CH$LINK: INCHIKEY HTIQEAQVCYTUBX-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:2162
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 6.176 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 409.15247
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
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+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01835.txt b/MSSJ/MSBNK-MSSJ-MSJ01835.txt
new file mode 100644
index 00000000000..4b403ffea3b
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01835.txt
@@ -0,0 +1,131 @@
+ACCESSION: MSBNK-MSSJ-MSJ01835
+RECORD_TITLE: Amlodipine; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 40 V; [M+H]+
+DATE: 2023.03.28
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230328-3.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Amlodipine
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C20H25ClN2O5
+CH$EXACT_MASS: 408.145193
+CH$SMILES: CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2Cl)C(=O)OC)C)COCCN
+CH$IUPAC: InChI=1S/C20H25ClN2O5/c1-4-28-20(25)18-15(11-27-10-9-22)23-12(2)16(19(24)26-3)17(18)13-7-5-6-8-14(13)21/h5-8,17,23H,4,9-11,22H2,1-3H3
+CH$LINK: CAS 88150-42-9
+CH$LINK: CHEMSPIDER 2077
+CH$LINK: INCHIKEY HTIQEAQVCYTUBX-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:2162
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 6.176 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 409.15247
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-00xu-1960000000-d91aa2882b2b1557c849
+PK$NUM_PEAK: 94
+PK$PEAK: m/z int. rel.int.
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+  334.0 1751 95
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01836.txt b/MSSJ/MSBNK-MSSJ-MSJ01836.txt
new file mode 100644
index 00000000000..8ba6321df50
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01836.txt
@@ -0,0 +1,134 @@
+ACCESSION: MSBNK-MSSJ-MSJ01836
+RECORD_TITLE: Amlodipine; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 50 V; [M+H]+
+DATE: 2023.03.28
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230328-3.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Amlodipine
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C20H25ClN2O5
+CH$EXACT_MASS: 408.145193
+CH$SMILES: CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2Cl)C(=O)OC)C)COCCN
+CH$IUPAC: InChI=1S/C20H25ClN2O5/c1-4-28-20(25)18-15(11-27-10-9-22)23-12(2)16(19(24)26-3)17(18)13-7-5-6-8-14(13)21/h5-8,17,23H,4,9-11,22H2,1-3H3
+CH$LINK: CAS 88150-42-9
+CH$LINK: CHEMSPIDER 2077
+CH$LINK: INCHIKEY HTIQEAQVCYTUBX-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:2162
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 6.176 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 409.15247
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-00kg-1920000000-000a1d2d030647b4f156
+PK$NUM_PEAK: 97
+PK$PEAK: m/z int. rel.int.
+  42.4 3231 202
+  44.3 7669 479
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+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01837.txt b/MSSJ/MSBNK-MSSJ-MSJ01837.txt
new file mode 100644
index 00000000000..0cf19bbd7cc
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01837.txt
@@ -0,0 +1,44 @@
+ACCESSION: MSBNK-MSSJ-MSJ01837
+RECORD_TITLE: Amlodipine; LC-ESI-QQ; MS; ESI; NEGATIVE
+DATE: 2023.03.28
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230328-3.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Amlodipine
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C20H25ClN2O5
+CH$EXACT_MASS: 408.145193
+CH$SMILES: CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2Cl)C(=O)OC)C)COCCN
+CH$IUPAC: InChI=1S/C20H25ClN2O5/c1-4-28-20(25)18-15(11-27-10-9-22)23-12(2)16(19(24)26-3)17(18)13-7-5-6-8-14(13)21/h5-8,17,23H,4,9-11,22H2,1-3H3
+CH$LINK: CAS 88150-42-9
+CH$LINK: CHEMSPIDER 2077
+CH$LINK: INCHIKEY HTIQEAQVCYTUBX-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:2162
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.556 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+PK$SPLASH: splash10-0a4i-0000900000-550d36a2741b46ddfc09
+PK$NUM_PEAK: 11
+PK$PEAK: m/z int. rel.int.
+  295.2 63052 11
+  407.2 5541696 999
+  408.2 1131533 204
+  409.2 1747044 315
+  410.2 439793 79
+  443.2 520711 94
+  444.2 139380 25
+  445.2 378342 68
+  446.1 74603 13
+  447.2 70257 13
+  497.2 57097 10
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01838.txt b/MSSJ/MSBNK-MSSJ-MSJ01838.txt
new file mode 100644
index 00000000000..c3d5d10b89a
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01838.txt
@@ -0,0 +1,42 @@
+ACCESSION: MSBNK-MSSJ-MSJ01838
+RECORD_TITLE: Amlodipine; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 10 V; [M-H]-
+DATE: 2023.03.28
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230328-3.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Amlodipine
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C20H25ClN2O5
+CH$EXACT_MASS: 408.145193
+CH$SMILES: CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2Cl)C(=O)OC)C)COCCN
+CH$IUPAC: InChI=1S/C20H25ClN2O5/c1-4-28-20(25)18-15(11-27-10-9-22)23-12(2)16(19(24)26-3)17(18)13-7-5-6-8-14(13)21/h5-8,17,23H,4,9-11,22H2,1-3H3
+CH$LINK: CAS 88150-42-9
+CH$LINK: CHEMSPIDER 2077
+CH$LINK: INCHIKEY HTIQEAQVCYTUBX-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:2162
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 6.176 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 407.137916
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+PK$SPLASH: splash10-0a4i-0000900000-5ee1a4b0f4cdfafc38fc
+PK$NUM_PEAK: 5
+PK$PEAK: m/z int. rel.int.
+  111.0 25681 32
+  295.2 69153 87
+  361.1 24948 31
+  375.1 28632 36
+  407.2 795972 999
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01839.txt b/MSSJ/MSBNK-MSSJ-MSJ01839.txt
new file mode 100644
index 00000000000..c07d281975e
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01839.txt
@@ -0,0 +1,64 @@
+ACCESSION: MSBNK-MSSJ-MSJ01839
+RECORD_TITLE: Amlodipine; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 20 V; [M-H]-
+DATE: 2023.03.28
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230328-3.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Amlodipine
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C20H25ClN2O5
+CH$EXACT_MASS: 408.145193
+CH$SMILES: CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2Cl)C(=O)OC)C)COCCN
+CH$IUPAC: InChI=1S/C20H25ClN2O5/c1-4-28-20(25)18-15(11-27-10-9-22)23-12(2)16(19(24)26-3)17(18)13-7-5-6-8-14(13)21/h5-8,17,23H,4,9-11,22H2,1-3H3
+CH$LINK: CAS 88150-42-9
+CH$LINK: CHEMSPIDER 2077
+CH$LINK: INCHIKEY HTIQEAQVCYTUBX-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:2162
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 6.176 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 407.137916
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+PK$SPLASH: splash10-01ot-1392100000-f5a0a54b48b3b17cd7b2
+PK$NUM_PEAK: 27
+PK$PEAK: m/z int. rel.int.
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+  361.2 15052 150
+  375.2 10404 103
+  407.2 29475 293
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01840.txt b/MSSJ/MSBNK-MSSJ-MSJ01840.txt
new file mode 100644
index 00000000000..227a358e260
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01840.txt
@@ -0,0 +1,89 @@
+ACCESSION: MSBNK-MSSJ-MSJ01840
+RECORD_TITLE: Amlodipine; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 30 V; [M-H]-
+DATE: 2023.03.28
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230328-3.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Amlodipine
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C20H25ClN2O5
+CH$EXACT_MASS: 408.145193
+CH$SMILES: CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2Cl)C(=O)OC)C)COCCN
+CH$IUPAC: InChI=1S/C20H25ClN2O5/c1-4-28-20(25)18-15(11-27-10-9-22)23-12(2)16(19(24)26-3)17(18)13-7-5-6-8-14(13)21/h5-8,17,23H,4,9-11,22H2,1-3H3
+CH$LINK: CAS 88150-42-9
+CH$LINK: CHEMSPIDER 2077
+CH$LINK: INCHIKEY HTIQEAQVCYTUBX-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:2162
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 6.176 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 407.137916
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+PK$SPLASH: splash10-000i-4691000000-e78889d54d65a021b84a
+PK$NUM_PEAK: 52
+PK$PEAK: m/z int. rel.int.
+  35.2 25701 999
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+  104.9 874 34
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+  110.9 7844 305
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+  313.1 1312 51
+  325.2 874 34
+  339.0 848 33
+  360.2 437 17
+  361.0 1176 46
+  374.2 437 17
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01841.txt b/MSSJ/MSBNK-MSSJ-MSJ01841.txt
new file mode 100644
index 00000000000..590d14f845c
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01841.txt
@@ -0,0 +1,78 @@
+ACCESSION: MSBNK-MSSJ-MSJ01841
+RECORD_TITLE: Amlodipine; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 40 V; [M-H]-
+DATE: 2023.03.28
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230328-3.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Amlodipine
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C20H25ClN2O5
+CH$EXACT_MASS: 408.145193
+CH$SMILES: CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2Cl)C(=O)OC)C)COCCN
+CH$IUPAC: InChI=1S/C20H25ClN2O5/c1-4-28-20(25)18-15(11-27-10-9-22)23-12(2)16(19(24)26-3)17(18)13-7-5-6-8-14(13)21/h5-8,17,23H,4,9-11,22H2,1-3H3
+CH$LINK: CAS 88150-42-9
+CH$LINK: CHEMSPIDER 2077
+CH$LINK: INCHIKEY HTIQEAQVCYTUBX-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:2162
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 6.176 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 407.137916
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+PK$SPLASH: splash10-000i-5950000000-c239321081d465f76dbb
+PK$NUM_PEAK: 41
+PK$PEAK: m/z int. rel.int.
+  35.1 19238 999
+  78.2 874 45
+  102.6 437 23
+  117.1 1751 91
+  118.1 3631 189
+  119.0 2441 127
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+  132.0 1669 87
+  132.8 1555 81
+  134.1 1671 87
+  144.2 874 45
+  148.9 1312 68
+  160.1 437 23
+  162.0 1365 71
+  163.2 2138 111
+  163.9 1195 62
+  165.0 1176 61
+  178.2 3485 181
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+  192.1 3327 173
+  194.2 874 45
+  207.0 2650 138
+  208.0 1025 53
+  215.2 874 45
+  219.6 785 41
+  221.7 1607 83
+  225.7 437 23
+  226.8 796 41
+  228.1 437 23
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+  250.9 874 45
+  257.1 874 45
+  265.1 437 23
+  265.8 874 45
+  295.1 2468 128
+  300.0 1671 87
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01842.txt b/MSSJ/MSBNK-MSSJ-MSJ01842.txt
new file mode 100644
index 00000000000..2c7e7bbacae
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01842.txt
@@ -0,0 +1,68 @@
+ACCESSION: MSBNK-MSSJ-MSJ01842
+RECORD_TITLE: Amlodipine; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 50 V; [M-H]-
+DATE: 2023.03.28
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230328-3.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Amlodipine
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C20H25ClN2O5
+CH$EXACT_MASS: 408.145193
+CH$SMILES: CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2Cl)C(=O)OC)C)COCCN
+CH$IUPAC: InChI=1S/C20H25ClN2O5/c1-4-28-20(25)18-15(11-27-10-9-22)23-12(2)16(19(24)26-3)17(18)13-7-5-6-8-14(13)21/h5-8,17,23H,4,9-11,22H2,1-3H3
+CH$LINK: CAS 88150-42-9
+CH$LINK: CHEMSPIDER 2077
+CH$LINK: INCHIKEY HTIQEAQVCYTUBX-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:2162
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 6.176 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 407.137916
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+PK$SPLASH: splash10-000i-9610000000-96879e513b6d70a23948
+PK$NUM_PEAK: 31
+PK$PEAK: m/z int. rel.int.
+  35.1 25816 999
+  43.3 437 17
+  59.6 437 17
+  88.8 428 17
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+  110.1 874 34
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+  118.6 871 34
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+  235.1 437 17
+  236.2 874 34
+  237.3 437 17
+  240.2 437 17
+  249.4 874 34
+  301.2 437 17
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01843.txt b/MSSJ/MSBNK-MSSJ-MSJ01843.txt
new file mode 100644
index 00000000000..119ab5ab1ba
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01843.txt
@@ -0,0 +1,37 @@
+ACCESSION: MSBNK-MSSJ-MSJ01843
+RECORD_TITLE: Amezinium; LC-ESI-QQ; MS; ESI; POSITIVE
+DATE: 2023.03.28
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230328-3.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Amezinium
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: [C11H12N3O]+
+CH$EXACT_MASS: 202.097477
+CH$SMILES: COC1=[N+](N=CC(=C1)N)C2=CC=CC=C2
+CH$IUPAC: InChI=1S/C11H11N3O/c1-15-11-7-9(12)8-13-14(11)10-5-3-2-4-6-10/h2-8,12H,1H3/p+1
+CH$LINK: CAS 41658-78-0
+CH$LINK: CHEMSPIDER 64938
+CH$LINK: INCHIKEY VXROHTDSRBRJLN-UHFFFAOYSA-O
+CH$LINK: PUBCHEM CID:71927
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 5.434 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+PK$SPLASH: splash10-0udi-0090000000-445ae2645f2667bf2e37
+PK$NUM_PEAK: 4
+PK$PEAK: m/z int. rel.int.
+  114.3 8901 14
+  121.4 7482 12
+  202.2 649889 999
+  203.2 75875 117
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01844.txt b/MSSJ/MSBNK-MSSJ-MSJ01844.txt
new file mode 100644
index 00000000000..b6c1a84c549
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01844.txt
@@ -0,0 +1,38 @@
+ACCESSION: MSBNK-MSSJ-MSJ01844
+RECORD_TITLE: Amezinium; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 10 V; [M]+
+DATE: 2023.03.28
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230328-3.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Amezinium
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: [C11H12N3O]+
+CH$EXACT_MASS: 202.097477
+CH$SMILES: COC1=[N+](N=CC(=C1)N)C2=CC=CC=C2
+CH$IUPAC: InChI=1S/C11H11N3O/c1-15-11-7-9(12)8-13-14(11)10-5-3-2-4-6-10/h2-8,12H,1H3/p+1
+CH$LINK: CAS 41658-78-0
+CH$LINK: CHEMSPIDER 64938
+CH$LINK: INCHIKEY VXROHTDSRBRJLN-UHFFFAOYSA-O
+CH$LINK: PUBCHEM CID:71927
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 5.434 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 202.097477
+MS$FOCUSED_ION: PRECURSOR_TYPE [M]+
+PK$SPLASH: splash10-0udi-0090000000-6ddb03404611b0fb3579
+PK$NUM_PEAK: 1
+PK$PEAK: m/z int. rel.int.
+  202.2 1420516 999
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01845.txt b/MSSJ/MSBNK-MSSJ-MSJ01845.txt
new file mode 100644
index 00000000000..d0312755b6c
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01845.txt
@@ -0,0 +1,59 @@
+ACCESSION: MSBNK-MSSJ-MSJ01845
+RECORD_TITLE: Amezinium; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 20 V; [M]+
+DATE: 2023.03.28
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230328-3.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Amezinium
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: [C11H12N3O]+
+CH$EXACT_MASS: 202.097477
+CH$SMILES: COC1=[N+](N=CC(=C1)N)C2=CC=CC=C2
+CH$IUPAC: InChI=1S/C11H11N3O/c1-15-11-7-9(12)8-13-14(11)10-5-3-2-4-6-10/h2-8,12H,1H3/p+1
+CH$LINK: CAS 41658-78-0
+CH$LINK: CHEMSPIDER 64938
+CH$LINK: INCHIKEY VXROHTDSRBRJLN-UHFFFAOYSA-O
+CH$LINK: PUBCHEM CID:71927
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 5.434 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 202.097477
+MS$FOCUSED_ION: PRECURSOR_TYPE [M]+
+PK$SPLASH: splash10-0udi-1590000000-80dfa7a68681b16a1c55
+PK$NUM_PEAK: 22
+PK$PEAK: m/z int. rel.int.
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+  187.1 6478 11
+  202.2 583824 999
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01846.txt b/MSSJ/MSBNK-MSSJ-MSJ01846.txt
new file mode 100644
index 00000000000..ad02cc49d68
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01846.txt
@@ -0,0 +1,99 @@
+ACCESSION: MSBNK-MSSJ-MSJ01846
+RECORD_TITLE: Amezinium; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 30 V; [M]+
+DATE: 2023.03.28
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230328-3.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Amezinium
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: [C11H12N3O]+
+CH$EXACT_MASS: 202.097477
+CH$SMILES: COC1=[N+](N=CC(=C1)N)C2=CC=CC=C2
+CH$IUPAC: InChI=1S/C11H11N3O/c1-15-11-7-9(12)8-13-14(11)10-5-3-2-4-6-10/h2-8,12H,1H3/p+1
+CH$LINK: CAS 41658-78-0
+CH$LINK: CHEMSPIDER 64938
+CH$LINK: INCHIKEY VXROHTDSRBRJLN-UHFFFAOYSA-O
+CH$LINK: PUBCHEM CID:71927
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 5.434 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 202.097477
+MS$FOCUSED_ION: PRECURSOR_TYPE [M]+
+PK$SPLASH: splash10-0fbc-9800000000-431fd5549fbfa4215fcf
+PK$NUM_PEAK: 62
+PK$PEAK: m/z int. rel.int.
+  30.3 1975 13
+  42.2 2756 19
+  43.2 4366 30
+  51.3 2538 17
+  53.1 6758 46
+  54.2 25835 176
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+  160.2 2326 16
+  170.2 23930 163
+  172.1 1696 12
+  186.2 69828 477
+  187.2 3300 23
+  202.1 36119 247
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01847.txt b/MSSJ/MSBNK-MSSJ-MSJ01847.txt
new file mode 100644
index 00000000000..109831b1d03
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01847.txt
@@ -0,0 +1,81 @@
+ACCESSION: MSBNK-MSSJ-MSJ01847
+RECORD_TITLE: Amezinium; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 40 V; [M]+
+DATE: 2023.03.28
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230328-3.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Amezinium
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: [C11H12N3O]+
+CH$EXACT_MASS: 202.097477
+CH$SMILES: COC1=[N+](N=CC(=C1)N)C2=CC=CC=C2
+CH$IUPAC: InChI=1S/C11H11N3O/c1-15-11-7-9(12)8-13-14(11)10-5-3-2-4-6-10/h2-8,12H,1H3/p+1
+CH$LINK: CAS 41658-78-0
+CH$LINK: CHEMSPIDER 64938
+CH$LINK: INCHIKEY VXROHTDSRBRJLN-UHFFFAOYSA-O
+CH$LINK: PUBCHEM CID:71927
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 5.434 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 202.097477
+MS$FOCUSED_ION: PRECURSOR_TYPE [M]+
+PK$SPLASH: splash10-0fb9-9300000000-072c65f207b0508b5448
+PK$NUM_PEAK: 44
+PK$PEAK: m/z int. rel.int.
+  30.2 3013 19
+  43.1 4948 32
+  51.2 27462 177
+  53.2 16807 108
+  54.2 49332 318
+  56.2 1834 12
+  63.2 2921 19
+  65.3 13607 88
+  66.3 4434 29
+  67.3 5751 37
+  68.2 5160 33
+  77.2 155046 999
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+  79.2 13580 87
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+  104.2 24060 155
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+  118.1 2878 19
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+  142.2 1643 11
+  143.4 1675 11
+  145.1 2966 19
+  159.1 4537 29
+  186.1 21419 138
+  202.0 6033 39
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01848.txt b/MSSJ/MSBNK-MSSJ-MSJ01848.txt
new file mode 100644
index 00000000000..787cad8c234
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01848.txt
@@ -0,0 +1,82 @@
+ACCESSION: MSBNK-MSSJ-MSJ01848
+RECORD_TITLE: Amezinium; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 50 V; [M]+
+DATE: 2023.03.28
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230328-3.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Amezinium
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: [C11H12N3O]+
+CH$EXACT_MASS: 202.097477
+CH$SMILES: COC1=[N+](N=CC(=C1)N)C2=CC=CC=C2
+CH$IUPAC: InChI=1S/C11H11N3O/c1-15-11-7-9(12)8-13-14(11)10-5-3-2-4-6-10/h2-8,12H,1H3/p+1
+CH$LINK: CAS 41658-78-0
+CH$LINK: CHEMSPIDER 64938
+CH$LINK: INCHIKEY VXROHTDSRBRJLN-UHFFFAOYSA-O
+CH$LINK: PUBCHEM CID:71927
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 5.434 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 202.097477
+MS$FOCUSED_ION: PRECURSOR_TYPE [M]+
+PK$SPLASH: splash10-0ufr-9100000000-a0fd0aafed5be6ace6b4
+PK$NUM_PEAK: 45
+PK$PEAK: m/z int. rel.int.
+  28.2 1843 16
+  39.3 2805 25
+  40.2 5357 47
+  41.3 4903 43
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+  131.2 4317 38
+  132.2 8608 76
+  144.3 1252 11
+  159.3 2304 20
+  185.0 1191 11
+  186.3 3845 34
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01849.txt b/MSSJ/MSBNK-MSSJ-MSJ01849.txt
new file mode 100644
index 00000000000..6cd37732e01
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01849.txt
@@ -0,0 +1,39 @@
+ACCESSION: MSBNK-MSSJ-MSJ01849
+RECORD_TITLE: Amoxapine; LC-ESI-QQ; MS; ESI; POSITIVE
+DATE: 2023.03.28
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230328-3.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Amoxapine
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C17H16ClN3O
+CH$EXACT_MASS: 313.098178
+CH$SMILES: C1CN(CCN1)C2=NC3=CC=CC=C3OC4=C2C=C(C=C4)Cl
+CH$IUPAC: InChI=1S/C17H16ClN3O/c18-12-5-6-15-13(11-12)17(21-9-7-19-8-10-21)20-14-3-1-2-4-16(14)22-15/h1-6,11,19H,7-10H2
+CH$LINK: CAS 14028-44-5
+CH$LINK: CHEMSPIDER 2085
+CH$LINK: INCHIKEY QWGDMFLQWFTERH-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:2170
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.762 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+PK$SPLASH: splash10-03xr-0009000000-6bfe136d53cd4a5ac42c
+PK$NUM_PEAK: 6
+PK$PEAK: m/z int. rel.int.
+  214.1 34267 36
+  231.2 15010 16
+  314.2 944835 999
+  315.2 178107 188
+  316.2 330078 349
+  317.2 36130 38
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01850.txt b/MSSJ/MSBNK-MSSJ-MSJ01850.txt
new file mode 100644
index 00000000000..2dfe3279b40
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01850.txt
@@ -0,0 +1,39 @@
+ACCESSION: MSBNK-MSSJ-MSJ01850
+RECORD_TITLE: Amoxapine; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 10 V; [M+H]+
+DATE: 2023.03.28
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230328-3.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Amoxapine
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C17H16ClN3O
+CH$EXACT_MASS: 313.098178
+CH$SMILES: C1CN(CCN1)C2=NC3=CC=CC=C3OC4=C2C=C(C=C4)Cl
+CH$IUPAC: InChI=1S/C17H16ClN3O/c18-12-5-6-15-13(11-12)17(21-9-7-19-8-10-21)20-14-3-1-2-4-16(14)22-15/h1-6,11,19H,7-10H2
+CH$LINK: CAS 14028-44-5
+CH$LINK: CHEMSPIDER 2085
+CH$LINK: INCHIKEY QWGDMFLQWFTERH-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:2170
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.762 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 314.105455
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-03di-0009000000-09381bb377ed1c251a61
+PK$NUM_PEAK: 2
+PK$PEAK: m/z int. rel.int.
+  271.2 21965 17
+  314.2 1312868 999
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01851.txt b/MSSJ/MSBNK-MSSJ-MSJ01851.txt
new file mode 100644
index 00000000000..bb3653d8420
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01851.txt
@@ -0,0 +1,44 @@
+ACCESSION: MSBNK-MSSJ-MSJ01851
+RECORD_TITLE: Amoxapine; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 20 V; [M+H]+
+DATE: 2023.03.28
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230328-3.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Amoxapine
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C17H16ClN3O
+CH$EXACT_MASS: 313.098178
+CH$SMILES: C1CN(CCN1)C2=NC3=CC=CC=C3OC4=C2C=C(C=C4)Cl
+CH$IUPAC: InChI=1S/C17H16ClN3O/c18-12-5-6-15-13(11-12)17(21-9-7-19-8-10-21)20-14-3-1-2-4-16(14)22-15/h1-6,11,19H,7-10H2
+CH$LINK: CAS 14028-44-5
+CH$LINK: CHEMSPIDER 2085
+CH$LINK: INCHIKEY QWGDMFLQWFTERH-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:2170
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.762 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 314.105455
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-03k9-0089000000-3197e03ae16c2ce1fec0
+PK$NUM_PEAK: 7
+PK$PEAK: m/z int. rel.int.
+  70.3 32282 73
+  193.2 4639 10
+  228.1 7491 17
+  245.1 50650 114
+  271.2 313667 705
+  297.2 34508 78
+  314.2 444494 999
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01852.txt b/MSSJ/MSBNK-MSSJ-MSJ01852.txt
new file mode 100644
index 00000000000..1c65f6d4373
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01852.txt
@@ -0,0 +1,55 @@
+ACCESSION: MSBNK-MSSJ-MSJ01852
+RECORD_TITLE: Amoxapine; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 30 V; [M+H]+
+DATE: 2023.03.28
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230328-3.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Amoxapine
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C17H16ClN3O
+CH$EXACT_MASS: 313.098178
+CH$SMILES: C1CN(CCN1)C2=NC3=CC=CC=C3OC4=C2C=C(C=C4)Cl
+CH$IUPAC: InChI=1S/C17H16ClN3O/c18-12-5-6-15-13(11-12)17(21-9-7-19-8-10-21)20-14-3-1-2-4-16(14)22-15/h1-6,11,19H,7-10H2
+CH$LINK: CAS 14028-44-5
+CH$LINK: CHEMSPIDER 2085
+CH$LINK: INCHIKEY QWGDMFLQWFTERH-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:2170
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.762 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 314.105455
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-00di-1190000000-c224fcc941d5fbb3c8ba
+PK$NUM_PEAK: 18
+PK$PEAK: m/z int. rel.int.
+  42.3 2802 10
+  43.3 8338 31
+  44.3 3402 12
+  70.3 65982 242
+  71.3 4054 15
+  118.2 3098 11
+  164.0 3707 14
+  192.1 3529 13
+  193.2 42946 158
+  200.1 4614 17
+  208.1 3382 12
+  228.1 56334 207
+  230.2 2750 10
+  245.2 16095 59
+  254.2 4562 17
+  271.1 271932 999
+  297.2 30630 113
+  314.2 18062 66
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01853.txt b/MSSJ/MSBNK-MSSJ-MSJ01853.txt
new file mode 100644
index 00000000000..71c0f7c47f8
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01853.txt
@@ -0,0 +1,89 @@
+ACCESSION: MSBNK-MSSJ-MSJ01853
+RECORD_TITLE: Amoxapine; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 40 V; [M+H]+
+DATE: 2023.03.28
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230328-3.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Amoxapine
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C17H16ClN3O
+CH$EXACT_MASS: 313.098178
+CH$SMILES: C1CN(CCN1)C2=NC3=CC=CC=C3OC4=C2C=C(C=C4)Cl
+CH$IUPAC: InChI=1S/C17H16ClN3O/c18-12-5-6-15-13(11-12)17(21-9-7-19-8-10-21)20-14-3-1-2-4-16(14)22-15/h1-6,11,19H,7-10H2
+CH$LINK: CAS 14028-44-5
+CH$LINK: CHEMSPIDER 2085
+CH$LINK: INCHIKEY QWGDMFLQWFTERH-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:2170
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.762 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 314.105455
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-006x-3970000000-78e34021d698df16973f
+PK$NUM_PEAK: 52
+PK$PEAK: m/z int. rel.int.
+  28.4 2386 17
+  41.3 3738 27
+  42.3 9516 69
+  43.3 8061 59
+  44.3 5254 38
+  65.2 1993 14
+  68.2 2638 19
+  70.3 48072 350
+  71.3 2995 22
+  77.2 4314 31
+  84.0 2349 17
+  85.2 1733 13
+  104.2 5194 38
+  106.1 1413 10
+  117.1 2122 15
+  118.2 9168 67
+  119.3 1928 14
+  126.1 1899 14
+  149.1 1805 13
+  152.1 2960 22
+  164.1 16307 119
+  165.1 4823 35
+  167.3 1687 12
+  173.1 2606 19
+  174.1 1868 14
+  179.0 2991 22
+  180.2 4611 34
+  192.2 14883 108
+  193.1 137342 999
+  200.0 20676 150
+  206.2 2496 18
+  207.2 6839 50
+  208.1 3030 22
+  209.2 1413 10
+  214.3 2540 18
+  215.1 3907 28
+  219.4 1445 11
+  228.1 40528 295
+  230.1 1452 11
+  235.1 10995 80
+  242.2 2379 17
+  243.2 1727 13
+  244.0 1712 12
+  245.1 1411 10
+  253.0 3381 25
+  254.1 9230 67
+  261.1 1413 10
+  268.9 1613 12
+  271.2 54345 395
+  295.2 3001 22
+  297.0 8067 59
+  313.6 2026 15
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01854.txt b/MSSJ/MSBNK-MSSJ-MSJ01854.txt
new file mode 100644
index 00000000000..ff39c9bb83a
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01854.txt
@@ -0,0 +1,82 @@
+ACCESSION: MSBNK-MSSJ-MSJ01854
+RECORD_TITLE: Amoxapine; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 50 V; [M+H]+
+DATE: 2023.03.28
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230328-3.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Amoxapine
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C17H16ClN3O
+CH$EXACT_MASS: 313.098178
+CH$SMILES: C1CN(CCN1)C2=NC3=CC=CC=C3OC4=C2C=C(C=C4)Cl
+CH$IUPAC: InChI=1S/C17H16ClN3O/c18-12-5-6-15-13(11-12)17(21-9-7-19-8-10-21)20-14-3-1-2-4-16(14)22-15/h1-6,11,19H,7-10H2
+CH$LINK: CAS 14028-44-5
+CH$LINK: CHEMSPIDER 2085
+CH$LINK: INCHIKEY QWGDMFLQWFTERH-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:2170
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.762 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 314.105455
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-0006-1920000000-ef76d0a3442f0e60eb05
+PK$NUM_PEAK: 45
+PK$PEAK: m/z int. rel.int.
+  28.4 4766 27
+  30.5 2238 13
+  39.5 1859 10
+  41.3 2480 14
+  42.4 5966 34
+  43.3 4808 27
+  44.3 8374 47
+  70.2 12862 73
+  71.2 5301 30
+  77.3 3313 19
+  93.3 4011 23
+  104.3 4216 24
+  118.2 7740 44
+  126.1 2716 15
+  138.2 12381 70
+  139.2 2913 16
+  140.1 4197 24
+  153.1 2378 13
+  164.1 40445 228
+  165.1 9004 51
+  166.2 2409 14
+  167.1 2142 12
+  173.2 11146 63
+  174.2 8804 50
+  179.2 4554 26
+  180.1 2024 11
+  181.1 2122 12
+  190.1 3669 21
+  191.2 2568 14
+  193.1 177146 999
+  200.1 15759 89
+  202.3 2793 16
+  206.1 4202 24
+  207.2 6691 38
+  215.1 1969 11
+  218.0 3008 17
+  228.0 12634 71
+  233.3 2450 14
+  235.1 5339 30
+  240.1 2199 12
+  241.8 2094 12
+  253.4 2595 15
+  254.5 1980 11
+  269.0 1848 10
+  271.3 7658 43
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01855.txt b/MSSJ/MSBNK-MSSJ-MSJ01855.txt
new file mode 100644
index 00000000000..4b185f27e54
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01855.txt
@@ -0,0 +1,40 @@
+ACCESSION: MSBNK-MSSJ-MSJ01855
+RECORD_TITLE: Amobarbital; LC-ESI-QQ; MS; ESI; NEGATIVE
+DATE: 2023.03.28
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230328-3.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Amobarbital
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C11H18N2O3
+CH$EXACT_MASS: 226.131735
+CH$SMILES: CCC1(C(=O)NC(=O)NC1=O)CCC(C)C
+CH$IUPAC: InChI=1S/C11H18N2O3/c1-4-11(6-5-7(2)3)8(14)12-10(16)13-9(11)15/h7H,4-6H2,1-3H3,(H2,12,13,14,15,16)
+CH$LINK: CAS 57-43-2
+CH$LINK: CHEMSPIDER 2079
+CH$LINK: INCHIKEY VIROVYVQCGLCII-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:2164
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.536 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+PK$SPLASH: splash10-004i-0090000000-d31fb6d9f00ed8d56db9
+PK$NUM_PEAK: 7
+PK$PEAK: m/z int. rel.int.
+  225.1 2716714 999
+  226.2 332693 122
+  227.2 30315 11
+  293.1 112230 41
+  309.1 45861 17
+  473.3 46161 17
+  541.3 27774 10
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01856.txt b/MSSJ/MSBNK-MSSJ-MSJ01856.txt
new file mode 100644
index 00000000000..8ea34fd90ad
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01856.txt
@@ -0,0 +1,41 @@
+ACCESSION: MSBNK-MSSJ-MSJ01856
+RECORD_TITLE: Amobarbital; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 10 V; [M-H]-
+DATE: 2023.03.28
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230328-3.xlsx file. pKa of amobarbital is 7.84.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Amobarbital
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C11H18N2O3
+CH$EXACT_MASS: 226.131735
+CH$SMILES: CCC1(C(=O)NC(=O)NC1=O)CCC(C)C
+CH$IUPAC: InChI=1S/C11H18N2O3/c1-4-11(6-5-7(2)3)8(14)12-10(16)13-9(11)15/h7H,4-6H2,1-3H3,(H2,12,13,14,15,16)
+CH$LINK: CAS 57-43-2
+CH$LINK: CHEMSPIDER 2079
+CH$LINK: INCHIKEY VIROVYVQCGLCII-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:2164
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.536 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 225.124458
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+PK$SPLASH: splash10-004i-0090000000-68461c7de89815375503
+PK$NUM_PEAK: 4
+PK$PEAK: m/z int. rel.int.
+  42.1 56040 22
+  85.0 28304 11
+  182.1 263909 102
+  225.2 2575495 999
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01857.txt b/MSSJ/MSBNK-MSSJ-MSJ01857.txt
new file mode 100644
index 00000000000..d0f2b948029
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01857.txt
@@ -0,0 +1,43 @@
+ACCESSION: MSBNK-MSSJ-MSJ01857
+RECORD_TITLE: Amobarbital; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 20 V; [M-H]-
+DATE: 2023.03.28
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230328-3.xlsx file. pKa of amobarbital is 7.84.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Amobarbital
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C11H18N2O3
+CH$EXACT_MASS: 226.131735
+CH$SMILES: CCC1(C(=O)NC(=O)NC1=O)CCC(C)C
+CH$IUPAC: InChI=1S/C11H18N2O3/c1-4-11(6-5-7(2)3)8(14)12-10(16)13-9(11)15/h7H,4-6H2,1-3H3,(H2,12,13,14,15,16)
+CH$LINK: CAS 57-43-2
+CH$LINK: CHEMSPIDER 2079
+CH$LINK: INCHIKEY VIROVYVQCGLCII-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:2164
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.536 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 225.124458
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+PK$SPLASH: splash10-0006-9220000000-a01dbe716eed7ee37448
+PK$NUM_PEAK: 6
+PK$PEAK: m/z int. rel.int.
+  42.1 282443 999
+  85.1 18004 64
+  138.1 10088 36
+  153.0 3216 11
+  182.2 59644 211
+  225.2 92797 328
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01858.txt b/MSSJ/MSBNK-MSSJ-MSJ01858.txt
new file mode 100644
index 00000000000..2a2f973b663
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01858.txt
@@ -0,0 +1,40 @@
+ACCESSION: MSBNK-MSSJ-MSJ01858
+RECORD_TITLE: Amobarbital; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 30 V; [M-H]-
+DATE: 2023.03.28
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230328-3.xlsx file. pKa of amobarbital is 7.84.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Amobarbital
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C11H18N2O3
+CH$EXACT_MASS: 226.131735
+CH$SMILES: CCC1(C(=O)NC(=O)NC1=O)CCC(C)C
+CH$IUPAC: InChI=1S/C11H18N2O3/c1-4-11(6-5-7(2)3)8(14)12-10(16)13-9(11)15/h7H,4-6H2,1-3H3,(H2,12,13,14,15,16)
+CH$LINK: CAS 57-43-2
+CH$LINK: CHEMSPIDER 2079
+CH$LINK: INCHIKEY VIROVYVQCGLCII-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:2164
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.536 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 225.124458
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+PK$SPLASH: splash10-0006-9000000000-3c34d3f35a3a227ade94
+PK$NUM_PEAK: 3
+PK$PEAK: m/z int. rel.int.
+  42.1 234161 999
+  85.1 2858 12
+  224.9 3739 16
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01859.txt b/MSSJ/MSBNK-MSSJ-MSJ01859.txt
new file mode 100644
index 00000000000..e237a608741
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01859.txt
@@ -0,0 +1,38 @@
+ACCESSION: MSBNK-MSSJ-MSJ01859
+RECORD_TITLE: Amobarbital; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 40 V; [M-H]-
+DATE: 2023.03.28
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230328-3.xlsx file. pKa of amobarbital is 7.84.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Amobarbital
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C11H18N2O3
+CH$EXACT_MASS: 226.131735
+CH$SMILES: CCC1(C(=O)NC(=O)NC1=O)CCC(C)C
+CH$IUPAC: InChI=1S/C11H18N2O3/c1-4-11(6-5-7(2)3)8(14)12-10(16)13-9(11)15/h7H,4-6H2,1-3H3,(H2,12,13,14,15,16)
+CH$LINK: CAS 57-43-2
+CH$LINK: CHEMSPIDER 2079
+CH$LINK: INCHIKEY VIROVYVQCGLCII-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:2164
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.536 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 225.124458
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+PK$SPLASH: splash10-0006-9000000000-0c5a3e74046df707c832
+PK$NUM_PEAK: 1
+PK$PEAK: m/z int. rel.int.
+  42.1 201643 999
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01860.txt b/MSSJ/MSBNK-MSSJ-MSJ01860.txt
new file mode 100644
index 00000000000..69d1f32a51e
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01860.txt
@@ -0,0 +1,38 @@
+ACCESSION: MSBNK-MSSJ-MSJ01860
+RECORD_TITLE: Amobarbital; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 50 V; [M-H]-
+DATE: 2023.03.28
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230328-3.xlsx file. pKa of amobarbital is 7.84.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Amobarbital
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C11H18N2O3
+CH$EXACT_MASS: 226.131735
+CH$SMILES: CCC1(C(=O)NC(=O)NC1=O)CCC(C)C
+CH$IUPAC: InChI=1S/C11H18N2O3/c1-4-11(6-5-7(2)3)8(14)12-10(16)13-9(11)15/h7H,4-6H2,1-3H3,(H2,12,13,14,15,16)
+CH$LINK: CAS 57-43-2
+CH$LINK: CHEMSPIDER 2079
+CH$LINK: INCHIKEY VIROVYVQCGLCII-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:2164
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.536 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 225.124458
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+PK$SPLASH: splash10-0006-9000000000-0c5a3e74046df707c832
+PK$NUM_PEAK: 1
+PK$PEAK: m/z int. rel.int.
+  42.1 141812 999
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01861.txt b/MSSJ/MSBNK-MSSJ-MSJ01861.txt
new file mode 100644
index 00000000000..2ee3c0d0748
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01861.txt
@@ -0,0 +1,36 @@
+ACCESSION: MSBNK-MSSJ-MSJ01861
+RECORD_TITLE: Trimeprazine; LC-ESI-QQ; MS; ESI; POSITIVE
+DATE: 2023.03.28
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230328-4.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Trimeprazine
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C18H22N2S
+CH$EXACT_MASS: 298.150361
+CH$SMILES: CC(CN1C2=CC=CC=C2SC3=CC=CC=C31)CN(C)C
+CH$IUPAC: InChI=1S/C18H22N2S/c1-14(12-19(2)3)13-20-15-8-4-6-10-17(15)21-18-11-7-5-9-16(18)20/h4-11,14H,12-13H2,1-3H3
+CH$LINK: CAS 84-96-8
+CH$LINK: CHEMSPIDER 5373
+CH$LINK: INCHIKEY ZZHLYYDVIOPZBE-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:5574
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.227 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+PK$SPLASH: splash10-0002-0092000000-612c3ada9eb26a559341
+PK$NUM_PEAK: 3
+PK$PEAK: m/z int. rel.int.
+  299.3 6709617 999
+  300.3 1501286 224
+  301.3 295983 44
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01862.txt b/MSSJ/MSBNK-MSSJ-MSJ01862.txt
new file mode 100644
index 00000000000..45325cc07e9
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01862.txt
@@ -0,0 +1,40 @@
+ACCESSION: MSBNK-MSSJ-MSJ01862
+RECORD_TITLE: Trimeprazine; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 10 V; [M+H]+
+DATE: 2023.03.28
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230328-4.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Trimeprazine
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C18H22N2S
+CH$EXACT_MASS: 298.150361
+CH$SMILES: CC(CN1C2=CC=CC=C2SC3=CC=CC=C31)CN(C)C
+CH$IUPAC: InChI=1S/C18H22N2S/c1-14(12-19(2)3)13-20-15-8-4-6-10-17(15)21-18-11-7-5-9-16(18)20/h4-11,14H,12-13H2,1-3H3
+CH$LINK: CAS 84-96-8
+CH$LINK: CHEMSPIDER 5373
+CH$LINK: INCHIKEY ZZHLYYDVIOPZBE-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:5574
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.227 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 299.157638
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-0002-0090000000-19ba486eafcee3946f97
+PK$NUM_PEAK: 3
+PK$PEAK: m/z int. rel.int.
+  58.3 56293 11
+  100.3 158260 31
+  299.3 5164602 999
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01863.txt b/MSSJ/MSBNK-MSSJ-MSJ01863.txt
new file mode 100644
index 00000000000..36b5be6b7d9
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01863.txt
@@ -0,0 +1,44 @@
+ACCESSION: MSBNK-MSSJ-MSJ01863
+RECORD_TITLE: Trimeprazine; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 20 V; [M+H]+
+DATE: 2023.03.28
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230328-4.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Trimeprazine
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C18H22N2S
+CH$EXACT_MASS: 298.150361
+CH$SMILES: CC(CN1C2=CC=CC=C2SC3=CC=CC=C31)CN(C)C
+CH$IUPAC: InChI=1S/C18H22N2S/c1-14(12-19(2)3)13-20-15-8-4-6-10-17(15)21-18-11-7-5-9-16(18)20/h4-11,14H,12-13H2,1-3H3
+CH$LINK: CAS 84-96-8
+CH$LINK: CHEMSPIDER 5373
+CH$LINK: INCHIKEY ZZHLYYDVIOPZBE-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:5574
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.227 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 299.157638
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-0zfr-5940000000-c4e184ac912966f64ba9
+PK$NUM_PEAK: 7
+PK$PEAK: m/z int. rel.int.
+  58.3 861798 663
+  100.3 1299151 999
+  180.2 16803 13
+  199.1 16462 13
+  212.1 108016 83
+  254.2 58735 45
+  299.2 478080 368
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01864.txt b/MSSJ/MSBNK-MSSJ-MSJ01864.txt
new file mode 100644
index 00000000000..49e7af3a0a5
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01864.txt
@@ -0,0 +1,44 @@
+ACCESSION: MSBNK-MSSJ-MSJ01864
+RECORD_TITLE: Trimeprazine; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 30 V; [M+H]+
+DATE: 2023.03.28
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230328-4.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Trimeprazine
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C18H22N2S
+CH$EXACT_MASS: 298.150361
+CH$SMILES: CC(CN1C2=CC=CC=C2SC3=CC=CC=C31)CN(C)C
+CH$IUPAC: InChI=1S/C18H22N2S/c1-14(12-19(2)3)13-20-15-8-4-6-10-17(15)21-18-11-7-5-9-16(18)20/h4-11,14H,12-13H2,1-3H3
+CH$LINK: CAS 84-96-8
+CH$LINK: CHEMSPIDER 5373
+CH$LINK: INCHIKEY ZZHLYYDVIOPZBE-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:5574
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.227 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 299.157638
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-0pb9-9510000000-56bb9927499997339184
+PK$NUM_PEAK: 7
+PK$PEAK: m/z int. rel.int.
+  58.3 1265569 999
+  100.3 685014 541
+  178.2 12890 10
+  180.2 106529 84
+  199.1 19851 16
+  212.2 188131 149
+  220.0 12987 10
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01865.txt b/MSSJ/MSBNK-MSSJ-MSJ01865.txt
new file mode 100644
index 00000000000..745cea4f14f
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01865.txt
@@ -0,0 +1,44 @@
+ACCESSION: MSBNK-MSSJ-MSJ01865
+RECORD_TITLE: Trimeprazine; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 40 V; [M+H]+
+DATE: 2023.03.28
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230328-4.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Trimeprazine
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C18H22N2S
+CH$EXACT_MASS: 298.150361
+CH$SMILES: CC(CN1C2=CC=CC=C2SC3=CC=CC=C31)CN(C)C
+CH$IUPAC: InChI=1S/C18H22N2S/c1-14(12-19(2)3)13-20-15-8-4-6-10-17(15)21-18-11-7-5-9-16(18)20/h4-11,14H,12-13H2,1-3H3
+CH$LINK: CAS 84-96-8
+CH$LINK: CHEMSPIDER 5373
+CH$LINK: INCHIKEY ZZHLYYDVIOPZBE-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:5574
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.227 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 299.157638
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-0a4i-9100000000-fecfb5f503429c63da7c
+PK$NUM_PEAK: 7
+PK$PEAK: m/z int. rel.int.
+  56.3 19152 13
+  58.3 1471103 999
+  85.2 18230 12
+  100.3 125870 85
+  179.1 29889 20
+  180.2 169955 115
+  211.7 15385 10
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01866.txt b/MSSJ/MSBNK-MSSJ-MSJ01866.txt
new file mode 100644
index 00000000000..57c251e2cff
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01866.txt
@@ -0,0 +1,52 @@
+ACCESSION: MSBNK-MSSJ-MSJ01866
+RECORD_TITLE: Trimeprazine; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 50 V; [M+H]+
+DATE: 2023.03.28
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230328-4.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Trimeprazine
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C18H22N2S
+CH$EXACT_MASS: 298.150361
+CH$SMILES: CC(CN1C2=CC=CC=C2SC3=CC=CC=C31)CN(C)C
+CH$IUPAC: InChI=1S/C18H22N2S/c1-14(12-19(2)3)13-20-15-8-4-6-10-17(15)21-18-11-7-5-9-16(18)20/h4-11,14H,12-13H2,1-3H3
+CH$LINK: CAS 84-96-8
+CH$LINK: CHEMSPIDER 5373
+CH$LINK: INCHIKEY ZZHLYYDVIOPZBE-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:5574
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.227 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 299.157638
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-0a4i-9100000000-ca776038bc9d00c84d04
+PK$NUM_PEAK: 15
+PK$PEAK: m/z int. rel.int.
+  30.3 11981 12
+  42.2 19013 19
+  43.4 22313 22
+  44.3 10751 11
+  56.2 11326 11
+  58.3 996652 999
+  70.4 15814 16
+  84.2 11357 11
+  85.2 13202 13
+  100.2 29569 30
+  151.0 13548 14
+  152.1 15348 15
+  167.1 14025 14
+  179.1 42076 42
+  180.1 111081 111
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01867.txt b/MSSJ/MSBNK-MSSJ-MSJ01867.txt
new file mode 100644
index 00000000000..f87ba5fc012
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01867.txt
@@ -0,0 +1,36 @@
+ACCESSION: MSBNK-MSSJ-MSJ01867
+RECORD_TITLE: Propyphenazone; LC-ESI-QQ; MS; ESI; POSITIVE
+DATE: 2023.03.28
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230328-4.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Propyphenazone
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C14H18N2O
+CH$EXACT_MASS: 230.141905
+CH$SMILES: CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C(C)C
+CH$IUPAC: InChI=1S/C14H18N2O/c1-10(2)13-11(3)15(4)16(14(13)17)12-8-6-5-7-9-12/h5-10H,1-4H3
+CH$LINK: CAS 479-92-5
+CH$LINK: CHEMSPIDER 3646
+CH$LINK: INCHIKEY PXWLVJLKJGVOKE-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:3778
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.601 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+PK$SPLASH: splash10-001i-0090000000-a31f2ccb77b7b884da10
+PK$NUM_PEAK: 3
+PK$PEAK: m/z int. rel.int.
+  231.2 2485033 999
+  232.3 360329 145
+  233.2 33141 13
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01868.txt b/MSSJ/MSBNK-MSSJ-MSJ01868.txt
new file mode 100644
index 00000000000..8e5bfaa3b4d
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01868.txt
@@ -0,0 +1,40 @@
+ACCESSION: MSBNK-MSSJ-MSJ01868
+RECORD_TITLE: Propyphenazone; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 10 V; [M+H]+
+DATE: 2023.03.28
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230328-4.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Propyphenazone
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C14H18N2O
+CH$EXACT_MASS: 230.141905
+CH$SMILES: CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C(C)C
+CH$IUPAC: InChI=1S/C14H18N2O/c1-10(2)13-11(3)15(4)16(14(13)17)12-8-6-5-7-9-12/h5-10H,1-4H3
+CH$LINK: CAS 479-92-5
+CH$LINK: CHEMSPIDER 3646
+CH$LINK: INCHIKEY PXWLVJLKJGVOKE-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:3778
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.601 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 231.149182
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-001i-0090000000-7b05473157cbd4cf4b5b
+PK$NUM_PEAK: 3
+PK$PEAK: m/z int. rel.int.
+  189.2 32221 13
+  214.2 34825 14
+  231.2 2500742 999
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01869.txt b/MSSJ/MSBNK-MSSJ-MSJ01869.txt
new file mode 100644
index 00000000000..d56c0bd247e
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01869.txt
@@ -0,0 +1,52 @@
+ACCESSION: MSBNK-MSSJ-MSJ01869
+RECORD_TITLE: Propyphenazone; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 20 V; [M+H]+
+DATE: 2023.03.28
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230328-4.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Propyphenazone
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C14H18N2O
+CH$EXACT_MASS: 230.141905
+CH$SMILES: CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C(C)C
+CH$IUPAC: InChI=1S/C14H18N2O/c1-10(2)13-11(3)15(4)16(14(13)17)12-8-6-5-7-9-12/h5-10H,1-4H3
+CH$LINK: CAS 479-92-5
+CH$LINK: CHEMSPIDER 3646
+CH$LINK: INCHIKEY PXWLVJLKJGVOKE-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:3778
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.601 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 231.149182
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-001i-0390000000-d7d15342c6d82b4a4e10
+PK$NUM_PEAK: 15
+PK$PEAK: m/z int. rel.int.
+  56.2 102467 110
+  112.2 24969 27
+  118.2 12261 13
+  120.2 25827 28
+  124.2 9914 11
+  141.1 10471 11
+  144.1 13839 15
+  146.2 37587 41
+  148.1 10094 11
+  160.1 12047 13
+  161.2 10371 11
+  189.2 200065 216
+  201.2 60326 65
+  216.2 12228 13
+  231.2 926773 999
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01870.txt b/MSSJ/MSBNK-MSSJ-MSJ01870.txt
new file mode 100644
index 00000000000..725665ad127
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01870.txt
@@ -0,0 +1,104 @@
+ACCESSION: MSBNK-MSSJ-MSJ01870
+RECORD_TITLE: Propyphenazone; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 30 V; [M+H]+
+DATE: 2023.03.28
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230328-4.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Propyphenazone
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C14H18N2O
+CH$EXACT_MASS: 230.141905
+CH$SMILES: CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C(C)C
+CH$IUPAC: InChI=1S/C14H18N2O/c1-10(2)13-11(3)15(4)16(14(13)17)12-8-6-5-7-9-12/h5-10H,1-4H3
+CH$LINK: CAS 479-92-5
+CH$LINK: CHEMSPIDER 3646
+CH$LINK: INCHIKEY PXWLVJLKJGVOKE-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:3778
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.601 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 231.149182
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-0a4i-9820000000-e7a05a6b5aaa71829069
+PK$NUM_PEAK: 67
+PK$PEAK: m/z int. rel.int.
+  30.2 3340 11
+  41.2 4878 17
+  42.2 6083 21
+  43.2 13841 47
+  44.2 6689 23
+  55.2 14978 51
+  56.2 293853 999
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+  95.2 11886 40
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+  97.1 4073 14
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+  100.3 3259 11
+  103.2 5449 19
+  104.2 22006 75
+  105.1 5959 20
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+  112.2 26103 89
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+  117.2 20353 69
+  118.2 29415 100
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+  120.2 53794 183
+  123.2 5259 18
+  124.2 12436 42
+  128.1 6411 22
+  130.1 18711 64
+  131.1 23359 79
+  132.0 9317 32
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+  144.1 21256 72
+  145.2 8640 29
+  146.2 36915 125
+  147.2 3603 12
+  148.1 7338 25
+  156.2 3648 12
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+  161.2 8419 29
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+  186.1 10344 35
+  187.1 5255 18
+  188.1 3764 13
+  189.2 74174 252
+  201.2 56017 190
+  231.2 68799 234
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01871.txt b/MSSJ/MSBNK-MSSJ-MSJ01871.txt
new file mode 100644
index 00000000000..f2404d174b8
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01871.txt
@@ -0,0 +1,92 @@
+ACCESSION: MSBNK-MSSJ-MSJ01871
+RECORD_TITLE: Propyphenazone; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 40 V; [M+H]+
+DATE: 2023.03.28
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230328-4.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Propyphenazone
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C14H18N2O
+CH$EXACT_MASS: 230.141905
+CH$SMILES: CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C(C)C
+CH$IUPAC: InChI=1S/C14H18N2O/c1-10(2)13-11(3)15(4)16(14(13)17)12-8-6-5-7-9-12/h5-10H,1-4H3
+CH$LINK: CAS 479-92-5
+CH$LINK: CHEMSPIDER 3646
+CH$LINK: INCHIKEY PXWLVJLKJGVOKE-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:3778
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.601 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 231.149182
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-0a4i-9300000000-45ceca5ee13b958bdd4a
+PK$NUM_PEAK: 55
+PK$PEAK: m/z int. rel.int.
+  27.4 2862 11
+  29.3 2865 11
+  39.4 3279 13
+  41.3 7920 31
+  42.3 7753 30
+  43.2 14482 57
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+  189.0 3279 13
+  201.1 11088 43
+  231.3 3483 14
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01872.txt b/MSSJ/MSBNK-MSSJ-MSJ01872.txt
new file mode 100644
index 00000000000..ee1e9f7cf15
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01872.txt
@@ -0,0 +1,85 @@
+ACCESSION: MSBNK-MSSJ-MSJ01872
+RECORD_TITLE: Propyphenazone; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 50 V; [M+H]+
+DATE: 2023.03.28
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230328-4.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Propyphenazone
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C14H18N2O
+CH$EXACT_MASS: 230.141905
+CH$SMILES: CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C(C)C
+CH$IUPAC: InChI=1S/C14H18N2O/c1-10(2)13-11(3)15(4)16(14(13)17)12-8-6-5-7-9-12/h5-10H,1-4H3
+CH$LINK: CAS 479-92-5
+CH$LINK: CHEMSPIDER 3646
+CH$LINK: INCHIKEY PXWLVJLKJGVOKE-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:3778
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.601 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 231.149182
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-0a6r-9100000000-bff52482c94582ff9b7d
+PK$NUM_PEAK: 48
+PK$PEAK: m/z int. rel.int.
+  27.3 4988 30
+  28.3 3904 24
+  29.4 2190 13
+  30.3 6015 37
+  32.2 1790 11
+  39.3 13271 81
+  41.3 17157 104
+  42.4 10047 61
+  43.2 7206 44
+  51.2 15209 92
+  53.3 6242 38
+  55.2 16405 100
+  56.2 164584 999
+  58.2 1934 12
+  65.2 18187 110
+  66.2 1651 10
+  67.2 6497 39
+  68.2 2113 13
+  70.3 4637 28
+  77.2 108543 659
+  78.2 4176 25
+  79.2 5863 36
+  80.3 11254 68
+  81.2 13049 79
+  82.3 42279 257
+  90.1 2406 15
+  91.2 6601 40
+  92.2 8922 54
+  94.2 10074 61
+  95.2 5025 31
+  96.2 10708 65
+  97.2 3166 19
+  103.1 2218 13
+  104.1 8350 51
+  115.1 11022 67
+  117.1 9046 55
+  118.3 5194 32
+  119.2 1891 11
+  120.2 2909 18
+  128.1 2720 17
+  130.2 8944 54
+  131.2 5485 33
+  140.1 3391 21
+  143.0 2769 17
+  144.2 5193 32
+  158.1 1695 10
+  201.2 2010 12
+  231.2 3487 21
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01873.txt b/MSSJ/MSBNK-MSSJ-MSJ01873.txt
new file mode 100644
index 00000000000..701b2c749ed
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01873.txt
@@ -0,0 +1,52 @@
+ACCESSION: MSBNK-MSSJ-MSJ01873
+RECORD_TITLE: Ibuprofen; LC-ESI-QQ; MS; ESI; POSITIVE
+DATE: 2023.03.28
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230328-4.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Ibuprofen
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C13H18O2
+CH$EXACT_MASS: 206.13068
+CH$SMILES: CC(C)CC1=CC=C(C=C1)C(C)C(=O)O
+CH$IUPAC: InChI=1S/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15)
+CH$LINK: CAS 15687-27-1
+CH$LINK: CHEMSPIDER 3544
+CH$LINK: INCHIKEY HEFNNWSXXWATRW-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:3672
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.586 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+PK$SPLASH: splash10-00di-0090000000-e2583ad9dab661d53287
+PK$NUM_PEAK: 19
+PK$PEAK: m/z int. rel.int.
+  161.2 40386 26
+  207.2 54364 35
+  224.3 1553942 999
+  225.3 204210 131
+  226.3 29733 19
+  229.2 125058 80
+  230.2 23343 15
+  245.2 75939 49
+  246.2 18083 12
+  249.3 58717 38
+  250.3 22926 15
+  251.2 58929 38
+  266.4 44601 29
+  267.2 28558 18
+  327.2 17678 11
+  328.3 25892 17
+  329.2 30885 20
+  467.3 22993 15
+  469.3 34463 22
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01874.txt b/MSSJ/MSBNK-MSSJ-MSJ01874.txt
new file mode 100644
index 00000000000..7eb00faee3a
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01874.txt
@@ -0,0 +1,41 @@
+ACCESSION: MSBNK-MSSJ-MSJ01874
+RECORD_TITLE: Ibuprofen; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 10 V; [M+NH4]+
+DATE: 2023.03.28
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230328-4.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Ibuprofen
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C13H18O2
+CH$EXACT_MASS: 206.13068
+CH$SMILES: CC(C)CC1=CC=C(C=C1)C(C)C(=O)O
+CH$IUPAC: InChI=1S/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15)
+CH$LINK: CAS 15687-27-1
+CH$LINK: CHEMSPIDER 3544
+CH$LINK: INCHIKEY HEFNNWSXXWATRW-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:3672
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.586 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 224.164502
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+NH4]+
+PK$SPLASH: splash10-00di-2190000000-5f3e926dc83bc5859d80
+PK$NUM_PEAK: 4
+PK$PEAK: m/z int. rel.int.
+  18.4 256720 347
+  161.2 176051 238
+  207.2 99416 134
+  224.3 739844 999
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01875.txt b/MSSJ/MSBNK-MSSJ-MSJ01875.txt
new file mode 100644
index 00000000000..4196ab89d61
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01875.txt
@@ -0,0 +1,43 @@
+ACCESSION: MSBNK-MSSJ-MSJ01875
+RECORD_TITLE: Ibuprofen; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 20 V; [M+NH4]+
+DATE: 2023.03.28
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230328-4.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Ibuprofen
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C13H18O2
+CH$EXACT_MASS: 206.13068
+CH$SMILES: CC(C)CC1=CC=C(C=C1)C(C)C(=O)O
+CH$IUPAC: InChI=1S/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15)
+CH$LINK: CAS 15687-27-1
+CH$LINK: CHEMSPIDER 3544
+CH$LINK: INCHIKEY HEFNNWSXXWATRW-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:3672
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.586 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 224.164502
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+NH4]+
+PK$SPLASH: splash10-03xr-6900000000-b7395bcba2d89110b676
+PK$NUM_PEAK: 6
+PK$PEAK: m/z int. rel.int.
+  18.4 193245 848
+  57.3 7814 34
+  91.2 2634 12
+  105.2 17912 79
+  119.2 21822 96
+  161.2 227741 999
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01876.txt b/MSSJ/MSBNK-MSSJ-MSJ01876.txt
new file mode 100644
index 00000000000..2670d72bc51
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01876.txt
@@ -0,0 +1,48 @@
+ACCESSION: MSBNK-MSSJ-MSJ01876
+RECORD_TITLE: Ibuprofen; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 30 V; [M+NH4]+
+DATE: 2023.03.28
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230328-4.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Ibuprofen
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C13H18O2
+CH$EXACT_MASS: 206.13068
+CH$SMILES: CC(C)CC1=CC=C(C=C1)C(C)C(=O)O
+CH$IUPAC: InChI=1S/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15)
+CH$LINK: CAS 15687-27-1
+CH$LINK: CHEMSPIDER 3544
+CH$LINK: INCHIKEY HEFNNWSXXWATRW-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:3672
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.586 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 224.164502
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+NH4]+
+PK$SPLASH: splash10-014i-9400000000-560ab605159947ab8de2
+PK$NUM_PEAK: 11
+PK$PEAK: m/z int. rel.int.
+  18.4 202168 999
+  29.3 2452 12
+  41.3 7172 35
+  43.3 7802 39
+  57.3 28107 139
+  91.2 11558 57
+  105.3 36797 182
+  117.2 9212 46
+  118.2 4916 24
+  119.2 54623 270
+  161.2 37259 184
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01877.txt b/MSSJ/MSBNK-MSSJ-MSJ01877.txt
new file mode 100644
index 00000000000..63dd1bdc5ea
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01877.txt
@@ -0,0 +1,52 @@
+ACCESSION: MSBNK-MSSJ-MSJ01877
+RECORD_TITLE: Ibuprofen; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 40 V; [M+NH4]+
+DATE: 2023.03.28
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230328-4.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Ibuprofen
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C13H18O2
+CH$EXACT_MASS: 206.13068
+CH$SMILES: CC(C)CC1=CC=C(C=C1)C(C)C(=O)O
+CH$IUPAC: InChI=1S/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15)
+CH$LINK: CAS 15687-27-1
+CH$LINK: CHEMSPIDER 3544
+CH$LINK: INCHIKEY HEFNNWSXXWATRW-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:3672
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.586 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 224.164502
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+NH4]+
+PK$SPLASH: splash10-014i-9200000000-56c719ab81c76e54430e
+PK$NUM_PEAK: 15
+PK$PEAK: m/z int. rel.int.
+  18.4 194752 999
+  29.3 4965 25
+  39.3 2698 14
+  41.3 12491 64
+  43.3 10115 52
+  57.2 9748 50
+  77.3 3665 19
+  79.3 4161 21
+  91.2 18385 94
+  103.2 6342 33
+  104.3 2292 12
+  105.3 17304 89
+  117.2 12906 66
+  118.2 4412 23
+  119.2 17861 92
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01878.txt b/MSSJ/MSBNK-MSSJ-MSJ01878.txt
new file mode 100644
index 00000000000..920dd946886
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01878.txt
@@ -0,0 +1,54 @@
+ACCESSION: MSBNK-MSSJ-MSJ01878
+RECORD_TITLE: Ibuprofen; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 50 V; [M+NH4]+
+DATE: 2023.03.28
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230328-4.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Ibuprofen
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C13H18O2
+CH$EXACT_MASS: 206.13068
+CH$SMILES: CC(C)CC1=CC=C(C=C1)C(C)C(=O)O
+CH$IUPAC: InChI=1S/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15)
+CH$LINK: CAS 15687-27-1
+CH$LINK: CHEMSPIDER 3544
+CH$LINK: INCHIKEY HEFNNWSXXWATRW-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:3672
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.586 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 224.164502
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+NH4]+
+PK$SPLASH: splash10-014i-9100000000-500c49a2986222cbd7a3
+PK$NUM_PEAK: 17
+PK$PEAK: m/z int. rel.int.
+  18.4 191339 999
+  27.4 3482 18
+  29.4 4858 25
+  39.3 3311 17
+  41.3 11002 57
+  43.2 8294 43
+  57.2 2976 16
+  77.2 12850 67
+  78.2 2229 12
+  79.2 4707 25
+  91.2 16104 84
+  103.2 5939 31
+  104.3 3983 21
+  105.2 5373 28
+  115.2 3276 17
+  117.2 11020 58
+  119.2 4063 21
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01879.txt b/MSSJ/MSBNK-MSSJ-MSJ01879.txt
new file mode 100644
index 00000000000..85ccb44feea
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01879.txt
@@ -0,0 +1,48 @@
+ACCESSION: MSBNK-MSSJ-MSJ01879
+RECORD_TITLE: Ibuprofen; LC-ESI-QQ; MS; ESI; NEGATIVE
+DATE: 2023.03.28
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230328-4.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Ibuprofen
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C13H18O2
+CH$EXACT_MASS: 206.13068
+CH$SMILES: CC(C)CC1=CC=C(C=C1)C(C)C(=O)O
+CH$IUPAC: InChI=1S/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15)
+CH$LINK: CAS 15687-27-1
+CH$LINK: CHEMSPIDER 3544
+CH$LINK: INCHIKEY HEFNNWSXXWATRW-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:3672
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.586 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+PK$SPLASH: splash10-0a4i-0190000000-499c610ca6742d49d326
+PK$NUM_PEAK: 15
+PK$PEAK: m/z int. rel.int.
+  159.1 56611 18
+  161.1 630362 203
+  162.1 89986 29
+  205.1 3103531 999
+  206.1 421684 136
+  207.1 44478 14
+  251.1 465357 150
+  252.2 81513 26
+  273.1 246568 79
+  274.1 36608 12
+  289.1 44642 14
+  411.3 119726 39
+  412.4 31248 10
+  433.3 63081 20
+  501.3 38308 12
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01880.txt b/MSSJ/MSBNK-MSSJ-MSJ01880.txt
new file mode 100644
index 00000000000..b82bfe8bdbb
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01880.txt
@@ -0,0 +1,39 @@
+ACCESSION: MSBNK-MSSJ-MSJ01880
+RECORD_TITLE: Ibuprofen; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 10 V; [M-H]-
+DATE: 2023.03.28
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230328-4.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Ibuprofen
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C13H18O2
+CH$EXACT_MASS: 206.13068
+CH$SMILES: CC(C)CC1=CC=C(C=C1)C(C)C(=O)O
+CH$IUPAC: InChI=1S/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15)
+CH$LINK: CAS 15687-27-1
+CH$LINK: CHEMSPIDER 3544
+CH$LINK: INCHIKEY HEFNNWSXXWATRW-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:3672
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.586 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 205.123403
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+PK$SPLASH: splash10-08fr-0950000000-d7599658c03661b17acf
+PK$NUM_PEAK: 2
+PK$PEAK: m/z int. rel.int.
+  161.1 996963 999
+  205.1 555071 556
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01881.txt b/MSSJ/MSBNK-MSSJ-MSJ01881.txt
new file mode 100644
index 00000000000..374a37ea2f4
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01881.txt
@@ -0,0 +1,42 @@
+ACCESSION: MSBNK-MSSJ-MSJ01881
+RECORD_TITLE: Ibuprofen; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 20 V; [M-H]-
+DATE: 2023.03.28
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230328-4.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Ibuprofen
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C13H18O2
+CH$EXACT_MASS: 206.13068
+CH$SMILES: CC(C)CC1=CC=C(C=C1)C(C)C(=O)O
+CH$IUPAC: InChI=1S/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15)
+CH$LINK: CAS 15687-27-1
+CH$LINK: CHEMSPIDER 3544
+CH$LINK: INCHIKEY HEFNNWSXXWATRW-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:3672
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.586 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 205.123403
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+PK$SPLASH: splash10-03di-0900000000-11177b0d79d490b91ffe
+PK$NUM_PEAK: 5
+PK$PEAK: m/z int. rel.int.
+  103.1 205 13
+  146.2 375 24
+  161.1 15711 999
+  189.9 657 42
+  204.7 770 49
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01882.txt b/MSSJ/MSBNK-MSSJ-MSJ01882.txt
new file mode 100644
index 00000000000..9dbd42d955d
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01882.txt
@@ -0,0 +1,43 @@
+ACCESSION: MSBNK-MSSJ-MSJ01882
+RECORD_TITLE: Ibuprofen; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 30 V; [M-H]-
+DATE: 2023.03.28
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230328-4.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Ibuprofen
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C13H18O2
+CH$EXACT_MASS: 206.13068
+CH$SMILES: CC(C)CC1=CC=C(C=C1)C(C)C(=O)O
+CH$IUPAC: InChI=1S/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15)
+CH$LINK: CAS 15687-27-1
+CH$LINK: CHEMSPIDER 3544
+CH$LINK: INCHIKEY HEFNNWSXXWATRW-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:3672
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.586 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 205.123403
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+PK$SPLASH: splash10-03di-0910000000-b2209cb53b45fcdfe452
+PK$NUM_PEAK: 6
+PK$PEAK: m/z int. rel.int.
+  114.7 205 241
+  142.7 205 241
+  145.8 205 241
+  158.9 241 284
+  161.0 849 999
+  204.7 205 241
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01883.txt b/MSSJ/MSBNK-MSSJ-MSJ01883.txt
new file mode 100644
index 00000000000..3ce5164881c
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01883.txt
@@ -0,0 +1,42 @@
+ACCESSION: MSBNK-MSSJ-MSJ01883
+RECORD_TITLE: Ibuprofen; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 40 V; [M-H]-
+DATE: 2023.03.28
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230328-4.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Ibuprofen
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C13H18O2
+CH$EXACT_MASS: 206.13068
+CH$SMILES: CC(C)CC1=CC=C(C=C1)C(C)C(=O)O
+CH$IUPAC: InChI=1S/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15)
+CH$LINK: CAS 15687-27-1
+CH$LINK: CHEMSPIDER 3544
+CH$LINK: INCHIKEY HEFNNWSXXWATRW-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:3672
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.586 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 205.123403
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+PK$SPLASH: splash10-0w30-0950000000-894c8eaa13e9bda548c2
+PK$NUM_PEAK: 5
+PK$PEAK: m/z int. rel.int.
+  133.1 205 509
+  142.9 103 256
+  160.9 402 999
+  203.6 205 509
+  204.9 205 509
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01884.txt b/MSSJ/MSBNK-MSSJ-MSJ01884.txt
new file mode 100644
index 00000000000..abd577aa8bf
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01884.txt
@@ -0,0 +1,39 @@
+ACCESSION: MSBNK-MSSJ-MSJ01884
+RECORD_TITLE: Ibuprofen; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 50 V; [M-H]-
+DATE: 2023.03.28
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230328-4.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Ibuprofen
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C13H18O2
+CH$EXACT_MASS: 206.13068
+CH$SMILES: CC(C)CC1=CC=C(C=C1)C(C)C(=O)O
+CH$IUPAC: InChI=1S/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15)
+CH$LINK: CAS 15687-27-1
+CH$LINK: CHEMSPIDER 3544
+CH$LINK: INCHIKEY HEFNNWSXXWATRW-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:3672
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.586 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 205.123403
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+PK$SPLASH: splash10-08fr-0940000000-6aaa13bb5ab2701d6d53
+PK$NUM_PEAK: 2
+PK$PEAK: m/z int. rel.int.
+  160.6 402 999
+  205.0 205 509
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01885.txt b/MSSJ/MSBNK-MSSJ-MSJ01885.txt
new file mode 100644
index 00000000000..6a1f35c4a5f
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01885.txt
@@ -0,0 +1,36 @@
+ACCESSION: MSBNK-MSSJ-MSJ01885
+RECORD_TITLE: Imipramine; LC-ESI-QQ; MS; ESI; POSITIVE
+DATE: 2023.03.28
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230328-4.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Imipramine
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C19H24N2
+CH$EXACT_MASS: 280.19394
+CH$SMILES: CN(C)CCCN1C2=CC=CC=C2CCC3=CC=CC=C31
+CH$IUPAC: InChI=1S/C19H24N2/c1-20(2)14-7-15-21-18-10-5-3-8-16(18)12-13-17-9-4-6-11-19(17)21/h3-6,8-11H,7,12-15H2,1-2H3
+CH$LINK: CAS 50-49-7
+CH$LINK: CHEMSPIDER 3568
+CH$LINK: INCHIKEY BCGWQEUPMDMJNV-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:3696
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.828 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+PK$SPLASH: splash10-001i-0090000000-1986af5faa88217b6e30
+PK$NUM_PEAK: 3
+PK$PEAK: m/z int. rel.int.
+  281.3 1657837 999
+  282.3 356880 215
+  283.3 33536 20
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01886.txt b/MSSJ/MSBNK-MSSJ-MSJ01886.txt
new file mode 100644
index 00000000000..dcd97d9d279
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01886.txt
@@ -0,0 +1,39 @@
+ACCESSION: MSBNK-MSSJ-MSJ01886
+RECORD_TITLE: Imipramine; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 10 V; [M+H]+
+DATE: 2023.03.28
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230328-4.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Imipramine
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C19H24N2
+CH$EXACT_MASS: 280.19394
+CH$SMILES: CN(C)CCCN1C2=CC=CC=C2CCC3=CC=CC=C31
+CH$IUPAC: InChI=1S/C19H24N2/c1-20(2)14-7-15-21-18-10-5-3-8-16(18)12-13-17-9-4-6-11-19(17)21/h3-6,8-11H,7,12-15H2,1-2H3
+CH$LINK: CAS 50-49-7
+CH$LINK: CHEMSPIDER 3568
+CH$LINK: INCHIKEY BCGWQEUPMDMJNV-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:3696
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.828 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 281.201217
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-001i-1090000000-2f9c45ae08083b935c94
+PK$NUM_PEAK: 2
+PK$PEAK: m/z int. rel.int.
+  86.3 276657 173
+  281.3 1595080 999
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01887.txt b/MSSJ/MSBNK-MSSJ-MSJ01887.txt
new file mode 100644
index 00000000000..051dfe9d398
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01887.txt
@@ -0,0 +1,42 @@
+ACCESSION: MSBNK-MSSJ-MSJ01887
+RECORD_TITLE: Imipramine; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 20 V; [M+H]+
+DATE: 2023.03.28
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230328-4.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Imipramine
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C19H24N2
+CH$EXACT_MASS: 280.19394
+CH$SMILES: CN(C)CCCN1C2=CC=CC=C2CCC3=CC=CC=C31
+CH$IUPAC: InChI=1S/C19H24N2/c1-20(2)14-7-15-21-18-10-5-3-8-16(18)12-13-17-9-4-6-11-19(17)21/h3-6,8-11H,7,12-15H2,1-2H3
+CH$LINK: CAS 50-49-7
+CH$LINK: CHEMSPIDER 3568
+CH$LINK: INCHIKEY BCGWQEUPMDMJNV-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:3696
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.828 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 281.201217
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-000i-9000000000-74cb65f2a908fbc0facc
+PK$NUM_PEAK: 5
+PK$PEAK: m/z int. rel.int.
+  58.3 228933 220
+  86.3 1039265 999
+  208.2 37851 36
+  236.2 17447 17
+  281.3 48577 47
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01888.txt b/MSSJ/MSBNK-MSSJ-MSJ01888.txt
new file mode 100644
index 00000000000..1e690614ecc
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01888.txt
@@ -0,0 +1,41 @@
+ACCESSION: MSBNK-MSSJ-MSJ01888
+RECORD_TITLE: Imipramine; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 30 V; [M+H]+
+DATE: 2023.03.28
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230328-4.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Imipramine
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C19H24N2
+CH$EXACT_MASS: 280.19394
+CH$SMILES: CN(C)CCCN1C2=CC=CC=C2CCC3=CC=CC=C31
+CH$IUPAC: InChI=1S/C19H24N2/c1-20(2)14-7-15-21-18-10-5-3-8-16(18)12-13-17-9-4-6-11-19(17)21/h3-6,8-11H,7,12-15H2,1-2H3
+CH$LINK: CAS 50-49-7
+CH$LINK: CHEMSPIDER 3568
+CH$LINK: INCHIKEY BCGWQEUPMDMJNV-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:3696
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.828 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 281.201217
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-052r-9000000000-dd77c411737685bf492a
+PK$NUM_PEAK: 4
+PK$PEAK: m/z int. rel.int.
+  58.3 498390 725
+  86.3 686470 999
+  193.2 20881 30
+  208.2 41714 61
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01889.txt b/MSSJ/MSBNK-MSSJ-MSJ01889.txt
new file mode 100644
index 00000000000..cce1c290394
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01889.txt
@@ -0,0 +1,46 @@
+ACCESSION: MSBNK-MSSJ-MSJ01889
+RECORD_TITLE: Imipramine; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 40 V; [M+H]+
+DATE: 2023.03.28
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230328-4.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Imipramine
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C19H24N2
+CH$EXACT_MASS: 280.19394
+CH$SMILES: CN(C)CCCN1C2=CC=CC=C2CCC3=CC=CC=C31
+CH$IUPAC: InChI=1S/C19H24N2/c1-20(2)14-7-15-21-18-10-5-3-8-16(18)12-13-17-9-4-6-11-19(17)21/h3-6,8-11H,7,12-15H2,1-2H3
+CH$LINK: CAS 50-49-7
+CH$LINK: CHEMSPIDER 3568
+CH$LINK: INCHIKEY BCGWQEUPMDMJNV-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:3696
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.828 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 281.201217
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-0a4i-9000000000-3d6c18d67f3fd1e6749d
+PK$NUM_PEAK: 9
+PK$PEAK: m/z int. rel.int.
+  42.4 6692 11
+  43.4 8027 13
+  56.3 8438 14
+  58.3 597395 999
+  71.2 6245 10
+  86.3 249515 417
+  192.1 8085 14
+  193.2 45584 76
+  208.2 17361 29
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01890.txt b/MSSJ/MSBNK-MSSJ-MSJ01890.txt
new file mode 100644
index 00000000000..6278eee0e83
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01890.txt
@@ -0,0 +1,46 @@
+ACCESSION: MSBNK-MSSJ-MSJ01890
+RECORD_TITLE: Imipramine; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 50 V; [M+H]+
+DATE: 2023.03.28
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230328-4.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Imipramine
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C19H24N2
+CH$EXACT_MASS: 280.19394
+CH$SMILES: CN(C)CCCN1C2=CC=CC=C2CCC3=CC=CC=C31
+CH$IUPAC: InChI=1S/C19H24N2/c1-20(2)14-7-15-21-18-10-5-3-8-16(18)12-13-17-9-4-6-11-19(17)21/h3-6,8-11H,7,12-15H2,1-2H3
+CH$LINK: CAS 50-49-7
+CH$LINK: CHEMSPIDER 3568
+CH$LINK: INCHIKEY BCGWQEUPMDMJNV-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:3696
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.828 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 281.201217
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-0a4i-9100000000-48f6587b80938bf158e2
+PK$NUM_PEAK: 9
+PK$PEAK: m/z int. rel.int.
+  42.3 6904 14
+  43.3 13295 27
+  56.3 7753 16
+  58.3 492473 999
+  86.3 62806 127
+  165.2 5337 11
+  167.2 10200 21
+  192.1 17050 35
+  193.1 65760 133
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01891.txt b/MSSJ/MSBNK-MSSJ-MSJ01891.txt
new file mode 100644
index 00000000000..e2c6010e1bf
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01891.txt
@@ -0,0 +1,51 @@
+ACCESSION: MSBNK-MSSJ-MSJ01891
+RECORD_TITLE: Indometacin; LC-ESI-QQ; MS; ESI; POSITIVE
+DATE: 2023.03.28
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230328-4.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Indometacin
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C19H16ClNO4
+CH$EXACT_MASS: 357.076783
+CH$SMILES: CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)O
+CH$IUPAC: InChI=1S/C19H16ClNO4/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12/h3-9H,10H2,1-2H3,(H,22,23)
+CH$LINK: CAS 53-86-1
+CH$LINK: CHEMSPIDER 3584
+CH$LINK: INCHIKEY CGIGDMFJXJATDK-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:3715
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.281 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+PK$SPLASH: splash10-0a4i-0009000000-9195f67af2840a58ca76
+PK$NUM_PEAK: 18
+PK$PEAK: m/z int. rel.int.
+  139.1 77918 13
+  174.2 119620 19
+  358.2 6197960 999
+  359.2 1279064 206
+  360.2 1972724 318
+  361.2 398443 64
+  375.3 1058404 171
+  376.3 176831 29
+  377.3 354219 57
+  378.3 62090 10
+  380.2 680165 110
+  381.3 125530 20
+  382.2 228424 37
+  387.3 328311 53
+  388.3 97543 16
+  396.2 269634 43
+  398.2 152775 25
+  404.3 254267 41
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01892.txt b/MSSJ/MSBNK-MSSJ-MSJ01892.txt
new file mode 100644
index 00000000000..d94d80c1599
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01892.txt
@@ -0,0 +1,41 @@
+ACCESSION: MSBNK-MSSJ-MSJ01892
+RECORD_TITLE: Indometacin; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 10 V; [M+H]+
+DATE: 2023.03.28
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230328-4.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Indometacin
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C19H16ClNO4
+CH$EXACT_MASS: 357.076783
+CH$SMILES: CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)O
+CH$IUPAC: InChI=1S/C19H16ClNO4/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12/h3-9H,10H2,1-2H3,(H,22,23)
+CH$LINK: CAS 53-86-1
+CH$LINK: CHEMSPIDER 3584
+CH$LINK: INCHIKEY CGIGDMFJXJATDK-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:3715
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.281 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 358.08406
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-0a4i-0309000000-24e9b6f34003179c6da9
+PK$NUM_PEAK: 4
+PK$PEAK: m/z int. rel.int.
+  139.1 55145 299
+  174.2 15488 84
+  202.1 2239 12
+  358.2 184543 999
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01893.txt b/MSSJ/MSBNK-MSSJ-MSJ01893.txt
new file mode 100644
index 00000000000..4a63d27b438
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01893.txt
@@ -0,0 +1,42 @@
+ACCESSION: MSBNK-MSSJ-MSJ01893
+RECORD_TITLE: Indometacin; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 20 V; [M+H]+
+DATE: 2023.03.28
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230328-4.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Indometacin
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C19H16ClNO4
+CH$EXACT_MASS: 357.076783
+CH$SMILES: CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)O
+CH$IUPAC: InChI=1S/C19H16ClNO4/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12/h3-9H,10H2,1-2H3,(H,22,23)
+CH$LINK: CAS 53-86-1
+CH$LINK: CHEMSPIDER 3584
+CH$LINK: INCHIKEY CGIGDMFJXJATDK-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:3715
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.281 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 358.08406
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-000i-0900000000-f4a3d3e78208a4ceb3dd
+PK$NUM_PEAK: 5
+PK$PEAK: m/z int. rel.int.
+  111.2 6639 30
+  139.1 223046 999
+  174.2 9017 40
+  202.3 2737 12
+  341.2 2567 11
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01894.txt b/MSSJ/MSBNK-MSSJ-MSJ01894.txt
new file mode 100644
index 00000000000..06eda7df35b
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01894.txt
@@ -0,0 +1,40 @@
+ACCESSION: MSBNK-MSSJ-MSJ01894
+RECORD_TITLE: Indometacin; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 30 V; [M+H]+
+DATE: 2023.03.28
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230328-4.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Indometacin
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C19H16ClNO4
+CH$EXACT_MASS: 357.076783
+CH$SMILES: CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)O
+CH$IUPAC: InChI=1S/C19H16ClNO4/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12/h3-9H,10H2,1-2H3,(H,22,23)
+CH$LINK: CAS 53-86-1
+CH$LINK: CHEMSPIDER 3584
+CH$LINK: INCHIKEY CGIGDMFJXJATDK-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:3715
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.281 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 358.08406
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-000i-0900000000-6438f8b16c51c7dd0362
+PK$NUM_PEAK: 3
+PK$PEAK: m/z int. rel.int.
+  111.1 38276 167
+  139.1 228869 999
+  174.2 7223 32
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01895.txt b/MSSJ/MSBNK-MSSJ-MSJ01895.txt
new file mode 100644
index 00000000000..4f40f2a638c
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01895.txt
@@ -0,0 +1,45 @@
+ACCESSION: MSBNK-MSSJ-MSJ01895
+RECORD_TITLE: Indometacin; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 40 V; [M+H]+
+DATE: 2023.03.28
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230328-4.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Indometacin
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C19H16ClNO4
+CH$EXACT_MASS: 357.076783
+CH$SMILES: CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)O
+CH$IUPAC: InChI=1S/C19H16ClNO4/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12/h3-9H,10H2,1-2H3,(H,22,23)
+CH$LINK: CAS 53-86-1
+CH$LINK: CHEMSPIDER 3584
+CH$LINK: INCHIKEY CGIGDMFJXJATDK-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:3715
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.281 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 358.08406
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-03dr-0900000000-36440922a3e205f75a8b
+PK$NUM_PEAK: 8
+PK$PEAK: m/z int. rel.int.
+  50.2 953 11
+  65.2 1909 22
+  85.2 953 11
+  111.1 84855 999
+  129.3 953 11
+  131.1 953 11
+  139.1 76341 899
+  159.1 1823 21
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01896.txt b/MSSJ/MSBNK-MSSJ-MSJ01896.txt
new file mode 100644
index 00000000000..66ec586e2e4
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01896.txt
@@ -0,0 +1,42 @@
+ACCESSION: MSBNK-MSSJ-MSJ01896
+RECORD_TITLE: Indometacin; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 50 V; [M+H]+
+DATE: 2023.03.28
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230328-4.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Indometacin
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C19H16ClNO4
+CH$EXACT_MASS: 357.076783
+CH$SMILES: CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)O
+CH$IUPAC: InChI=1S/C19H16ClNO4/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12/h3-9H,10H2,1-2H3,(H,22,23)
+CH$LINK: CAS 53-86-1
+CH$LINK: CHEMSPIDER 3584
+CH$LINK: INCHIKEY CGIGDMFJXJATDK-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:3715
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.281 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 358.08406
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-03di-0900000000-eaf9c853409fc4d268aa
+PK$NUM_PEAK: 5
+PK$PEAK: m/z int. rel.int.
+  51.1 953 10
+  75.2 10562 111
+  91.1 1282 14
+  111.1 94666 999
+  139.2 33078 349
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01897.txt b/MSSJ/MSBNK-MSSJ-MSJ01897.txt
new file mode 100644
index 00000000000..c7a8217ea2e
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01897.txt
@@ -0,0 +1,63 @@
+ACCESSION: MSBNK-MSSJ-MSJ01897
+RECORD_TITLE: Indometacin; LC-ESI-QQ; MS; ESI; NEGATIVE
+DATE: 2023.03.28
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230328-4.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Indometacin
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C19H16ClNO4
+CH$EXACT_MASS: 357.076783
+CH$SMILES: CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)O
+CH$IUPAC: InChI=1S/C19H16ClNO4/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12/h3-9H,10H2,1-2H3,(H,22,23)
+CH$LINK: CAS 53-86-1
+CH$LINK: CHEMSPIDER 3584
+CH$LINK: INCHIKEY CGIGDMFJXJATDK-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:3715
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.281 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+PK$SPLASH: splash10-08fr-0019000000-54383d57ff8ec1c20f6e
+PK$NUM_PEAK: 30
+PK$PEAK: m/z int. rel.int.
+  158.0 107585 31
+  159.0 36964 11
+  174.1 106477 31
+  254.1 49898 14
+  255.0 74822 21
+  269.0 238115 68
+  270.1 114709 33
+  271.1 104164 30
+  282.0 299945 86
+  284.1 206743 59
+  285.1 38273 11
+  286.1 51404 15
+  297.1 396072 113
+  298.1 73272 21
+  299.1 135383 39
+  312.1 3487028 999
+  313.2 669493 192
+  314.1 1197924 343
+  315.1 208939 60
+  316.1 39156 11
+  356.1 3049719 874
+  357.1 700204 201
+  358.1 1173210 336
+  359.1 223539 64
+  392.1 91127 26
+  394.1 59029 17
+  402.1 708442 203
+  403.2 154408 44
+  404.1 248577 71
+  405.2 57424 16
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01898.txt b/MSSJ/MSBNK-MSSJ-MSJ01898.txt
new file mode 100644
index 00000000000..1f8d0cbeaef
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01898.txt
@@ -0,0 +1,43 @@
+ACCESSION: MSBNK-MSSJ-MSJ01898
+RECORD_TITLE: Indometacin; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 10 V; [M-H]-
+DATE: 2023.03.28
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230328-4.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Indometacin
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C19H16ClNO4
+CH$EXACT_MASS: 357.076783
+CH$SMILES: CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)O
+CH$IUPAC: InChI=1S/C19H16ClNO4/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12/h3-9H,10H2,1-2H3,(H,22,23)
+CH$LINK: CAS 53-86-1
+CH$LINK: CHEMSPIDER 3584
+CH$LINK: INCHIKEY CGIGDMFJXJATDK-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:3715
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.281 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 356.069506
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+PK$SPLASH: splash10-03di-0019000000-9027f73586ff57cb6fca
+PK$NUM_PEAK: 6
+PK$PEAK: m/z int. rel.int.
+  255.0 6553 10
+  269.1 12512 20
+  270.1 48332 77
+  297.0 38837 62
+  312.1 627267 999
+  356.1 59733 95
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01899.txt b/MSSJ/MSBNK-MSSJ-MSJ01899.txt
new file mode 100644
index 00000000000..1c78778f7fa
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01899.txt
@@ -0,0 +1,51 @@
+ACCESSION: MSBNK-MSSJ-MSJ01899
+RECORD_TITLE: Indometacin; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 20 V; [M-H]-
+DATE: 2023.03.28
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230328-4.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Indometacin
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C19H16ClNO4
+CH$EXACT_MASS: 357.076783
+CH$SMILES: CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)O
+CH$IUPAC: InChI=1S/C19H16ClNO4/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12/h3-9H,10H2,1-2H3,(H,22,23)
+CH$LINK: CAS 53-86-1
+CH$LINK: CHEMSPIDER 3584
+CH$LINK: INCHIKEY CGIGDMFJXJATDK-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:3715
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.281 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 356.069506
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+PK$SPLASH: splash10-06r2-0192000000-0171aede4fccfdd749ee
+PK$NUM_PEAK: 14
+PK$PEAK: m/z int. rel.int.
+  35.0 2944 19
+  111.0 32709 215
+  152.9 3124 21
+  158.0 22782 150
+  171.8 5084 33
+  173.0 3715 24
+  255.0 53232 350
+  269.1 56365 370
+  270.1 60447 397
+  274.8 1750 12
+  282.1 30572 201
+  284.2 1644 11
+  297.1 152003 999
+  312.1 83628 550
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01900.txt b/MSSJ/MSBNK-MSSJ-MSJ01900.txt
new file mode 100644
index 00000000000..73b9c8516fd
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01900.txt
@@ -0,0 +1,52 @@
+ACCESSION: MSBNK-MSSJ-MSJ01900
+RECORD_TITLE: Indometacin; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 30 V; [M-H]-
+DATE: 2023.03.28
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230328-4.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Indometacin
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C19H16ClNO4
+CH$EXACT_MASS: 357.076783
+CH$SMILES: CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)O
+CH$IUPAC: InChI=1S/C19H16ClNO4/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12/h3-9H,10H2,1-2H3,(H,22,23)
+CH$LINK: CAS 53-86-1
+CH$LINK: CHEMSPIDER 3584
+CH$LINK: INCHIKEY CGIGDMFJXJATDK-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:3715
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.281 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 356.069506
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+PK$SPLASH: splash10-053r-0490000000-4be01cec981f262b8d6e
+PK$NUM_PEAK: 15
+PK$PEAK: m/z int. rel.int.
+  35.1 5233 47
+  111.0 32551 294
+  141.7 1236 11
+  144.0 1233 11
+  153.1 2554 23
+  156.9 9691 87
+  158.0 60731 548
+  172.0 1477 13
+  255.0 42221 381
+  269.1 17656 159
+  270.0 1428 13
+  279.3 1748 16
+  282.0 110693 999
+  293.9 2628 24
+  297.0 48554 438
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01901.txt b/MSSJ/MSBNK-MSSJ-MSJ01901.txt
new file mode 100644
index 00000000000..95e1e261839
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01901.txt
@@ -0,0 +1,59 @@
+ACCESSION: MSBNK-MSSJ-MSJ01901
+RECORD_TITLE: Indometacin; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 40 V; [M-H]-
+DATE: 2023.03.28
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230328-4.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Indometacin
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C19H16ClNO4
+CH$EXACT_MASS: 357.076783
+CH$SMILES: CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)O
+CH$IUPAC: InChI=1S/C19H16ClNO4/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12/h3-9H,10H2,1-2H3,(H,22,23)
+CH$LINK: CAS 53-86-1
+CH$LINK: CHEMSPIDER 3584
+CH$LINK: INCHIKEY CGIGDMFJXJATDK-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:3715
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.281 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 356.069506
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+PK$SPLASH: splash10-0a59-0590000000-70c0a69990a4131520a6
+PK$NUM_PEAK: 22
+PK$PEAK: m/z int. rel.int.
+  35.1 3564 52
+  110.9 14539 212
+  130.0 1176 17
+  136.8 874 13
+  153.0 2156 31
+  158.0 63548 926
+  185.0 1097 16
+  185.7 1309 19
+  217.7 1299 19
+  218.7 1748 25
+  224.0 874 13
+  231.3 1586 23
+  233.0 874 13
+  245.0 1706 25
+  253.0 13946 203
+  254.0 10874 158
+  255.1 10451 152
+  268.0 3651 53
+  269.1 5478 80
+  279.6 3806 55
+  282.0 68550 999
+  297.1 4249 62
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01902.txt b/MSSJ/MSBNK-MSSJ-MSJ01902.txt
new file mode 100644
index 00000000000..beba0e51a59
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01902.txt
@@ -0,0 +1,70 @@
+ACCESSION: MSBNK-MSSJ-MSJ01902
+RECORD_TITLE: Indometacin; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 50 V; [M-H]-
+DATE: 2023.03.28
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230328-4.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Indometacin
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C19H16ClNO4
+CH$EXACT_MASS: 357.076783
+CH$SMILES: CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)O
+CH$IUPAC: InChI=1S/C19H16ClNO4/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12/h3-9H,10H2,1-2H3,(H,22,23)
+CH$LINK: CAS 53-86-1
+CH$LINK: CHEMSPIDER 3584
+CH$LINK: INCHIKEY CGIGDMFJXJATDK-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:3715
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.281 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 356.069506
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+PK$SPLASH: splash10-0a59-1690000000-0cf95dba9dd54b87ccad
+PK$NUM_PEAK: 33
+PK$PEAK: m/z int. rel.int.
+  35.1 8410 270
+  41.2 1025 33
+  110.9 5489 177
+  128.6 1750 56
+  141.8 1060 34
+  143.7 1590 51
+  156.3 832 27
+  157.9 31065 999
+  172.3 437 14
+  184.0 874 28
+  206.2 699 22
+  216.8 3791 122
+  218.1 2489 80
+  224.0 1023 33
+  226.0 437 14
+  226.9 1034 33
+  231.9 418 13
+  232.6 1750 56
+  245.1 1807 58
+  246.0 786 25
+  249.7 349 11
+  253.1 7690 247
+  254.1 2412 78
+  255.0 1153 37
+  267.0 2509 81
+  268.2 3193 103
+  269.5 1025 33
+  280.1 2880 93
+  281.1 11801 380
+  281.9 11907 383
+  296.1 1086 35
+  297.1 874 28
+  311.8 874 28
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01903.txt b/MSSJ/MSBNK-MSSJ-MSJ01903.txt
new file mode 100644
index 00000000000..06dc2fcc707
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01903.txt
@@ -0,0 +1,38 @@
+ACCESSION: MSBNK-MSSJ-MSJ01903
+RECORD_TITLE: Oxybuprocaine; LC-ESI-QQ; MS; ESI; POSITIVE
+DATE: 2023.03.28
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230328-5.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Oxybuprocaine
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C17H28N2O3
+CH$EXACT_MASS: 308.209985
+CH$SMILES: CCCCOC1=C(C=CC(=C1)C(=O)OCCN(CC)CC)N
+CH$IUPAC: InChI=1S/C17H28N2O3/c1-4-7-11-21-16-13-14(8-9-15(16)18)17(20)22-12-10-19(5-2)6-3/h8-9,13H,4-7,10-12,18H2,1-3H3
+CH$LINK: CAS 99-43-4
+CH$LINK: CHEMSPIDER 4472
+CH$LINK: INCHIKEY CMHHMUWAYWTMGS-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:4633
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.188 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+PK$SPLASH: splash10-0a4i-0009000000-83b40b616ab7451e3ce2
+PK$NUM_PEAK: 5
+PK$PEAK: m/z int. rel.int.
+  192.2 22853 13
+  244.3 36226 20
+  309.3 1789108 999
+  310.4 357149 199
+  311.4 41611 23
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01904.txt b/MSSJ/MSBNK-MSSJ-MSJ01904.txt
new file mode 100644
index 00000000000..2c659d65304
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01904.txt
@@ -0,0 +1,41 @@
+ACCESSION: MSBNK-MSSJ-MSJ01904
+RECORD_TITLE: Oxybuprocaine; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 10 V; [M+H]+
+DATE: 2023.03.28
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230328-5.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Oxybuprocaine
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C17H28N2O3
+CH$EXACT_MASS: 308.209985
+CH$SMILES: CCCCOC1=C(C=CC(=C1)C(=O)OCCN(CC)CC)N
+CH$IUPAC: InChI=1S/C17H28N2O3/c1-4-7-11-21-16-13-14(8-9-15(16)18)17(20)22-12-10-19(5-2)6-3/h8-9,13H,4-7,10-12,18H2,1-3H3
+CH$LINK: CAS 99-43-4
+CH$LINK: CHEMSPIDER 4472
+CH$LINK: INCHIKEY CMHHMUWAYWTMGS-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:4633
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.188 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 309.217262
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-0a4i-0109000000-c36b798508a040e58f5a
+PK$NUM_PEAK: 4
+PK$PEAK: m/z int. rel.int.
+  100.3 93500 54
+  192.2 213169 123
+  236.2 63709 37
+  309.3 1737365 999
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01905.txt b/MSSJ/MSBNK-MSSJ-MSJ01905.txt
new file mode 100644
index 00000000000..607d83a4897
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01905.txt
@@ -0,0 +1,43 @@
+ACCESSION: MSBNK-MSSJ-MSJ01905
+RECORD_TITLE: Oxybuprocaine; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 20 V; [M+H]+
+DATE: 2023.03.28
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230328-5.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Oxybuprocaine
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C17H28N2O3
+CH$EXACT_MASS: 308.209985
+CH$SMILES: CCCCOC1=C(C=CC(=C1)C(=O)OCCN(CC)CC)N
+CH$IUPAC: InChI=1S/C17H28N2O3/c1-4-7-11-21-16-13-14(8-9-15(16)18)17(20)22-12-10-19(5-2)6-3/h8-9,13H,4-7,10-12,18H2,1-3H3
+CH$LINK: CAS 99-43-4
+CH$LINK: CHEMSPIDER 4472
+CH$LINK: INCHIKEY CMHHMUWAYWTMGS-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:4633
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.188 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 309.217262
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-0f6x-0910000000-69e398b789d01f66a532
+PK$NUM_PEAK: 6
+PK$PEAK: m/z int. rel.int.
+  72.3 21163 25
+  100.3 474323 560
+  136.2 82319 97
+  192.2 845947 999
+  236.2 219527 259
+  309.3 61266 72
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01906.txt b/MSSJ/MSBNK-MSSJ-MSJ01906.txt
new file mode 100644
index 00000000000..e6a90c13b43
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01906.txt
@@ -0,0 +1,48 @@
+ACCESSION: MSBNK-MSSJ-MSJ01906
+RECORD_TITLE: Oxybuprocaine; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 30 V; [M+H]+
+DATE: 2023.03.28
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230328-5.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Oxybuprocaine
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C17H28N2O3
+CH$EXACT_MASS: 308.209985
+CH$SMILES: CCCCOC1=C(C=CC(=C1)C(=O)OCCN(CC)CC)N
+CH$IUPAC: InChI=1S/C17H28N2O3/c1-4-7-11-21-16-13-14(8-9-15(16)18)17(20)22-12-10-19(5-2)6-3/h8-9,13H,4-7,10-12,18H2,1-3H3
+CH$LINK: CAS 99-43-4
+CH$LINK: CHEMSPIDER 4472
+CH$LINK: INCHIKEY CMHHMUWAYWTMGS-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:4633
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.188 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 309.217262
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-0f7c-0900000000-22183c0d12f1699252c2
+PK$NUM_PEAK: 11
+PK$PEAK: m/z int. rel.int.
+  44.3 29749 69
+  72.3 84531 197
+  80.2 4966 12
+  100.3 428652 999
+  108.2 40605 95
+  135.1 7971 19
+  136.2 412462 961
+  179.1 9697 23
+  180.2 29974 70
+  192.2 323682 754
+  236.2 66970 156
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01907.txt b/MSSJ/MSBNK-MSSJ-MSJ01907.txt
new file mode 100644
index 00000000000..7702ec91c62
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01907.txt
@@ -0,0 +1,51 @@
+ACCESSION: MSBNK-MSSJ-MSJ01907
+RECORD_TITLE: Oxybuprocaine; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 40 V; [M+H]+
+DATE: 2023.03.28
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230328-5.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Oxybuprocaine
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C17H28N2O3
+CH$EXACT_MASS: 308.209985
+CH$SMILES: CCCCOC1=C(C=CC(=C1)C(=O)OCCN(CC)CC)N
+CH$IUPAC: InChI=1S/C17H28N2O3/c1-4-7-11-21-16-13-14(8-9-15(16)18)17(20)22-12-10-19(5-2)6-3/h8-9,13H,4-7,10-12,18H2,1-3H3
+CH$LINK: CAS 99-43-4
+CH$LINK: CHEMSPIDER 4472
+CH$LINK: INCHIKEY CMHHMUWAYWTMGS-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:4633
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.188 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 309.217262
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-000i-3900000000-9a42bc64e6676b071ab8
+PK$NUM_PEAK: 14
+PK$PEAK: m/z int. rel.int.
+  29.3 4953 14
+  44.3 73434 202
+  53.2 8431 23
+  72.3 91248 251
+  80.3 84437 232
+  91.3 5149 14
+  100.3 120238 331
+  107.2 8279 23
+  108.2 143738 395
+  136.2 363320 999
+  179.2 12481 34
+  180.2 7414 20
+  192.2 32721 90
+  236.3 9967 27
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01908.txt b/MSSJ/MSBNK-MSSJ-MSJ01908.txt
new file mode 100644
index 00000000000..01a1f6473d4
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01908.txt
@@ -0,0 +1,56 @@
+ACCESSION: MSBNK-MSSJ-MSJ01908
+RECORD_TITLE: Oxybuprocaine; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 50 V; [M+H]+
+DATE: 2023.03.28
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230328-5.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Oxybuprocaine
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C17H28N2O3
+CH$EXACT_MASS: 308.209985
+CH$SMILES: CCCCOC1=C(C=CC(=C1)C(=O)OCCN(CC)CC)N
+CH$IUPAC: InChI=1S/C17H28N2O3/c1-4-7-11-21-16-13-14(8-9-15(16)18)17(20)22-12-10-19(5-2)6-3/h8-9,13H,4-7,10-12,18H2,1-3H3
+CH$LINK: CAS 99-43-4
+CH$LINK: CHEMSPIDER 4472
+CH$LINK: INCHIKEY CMHHMUWAYWTMGS-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:4633
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.188 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 309.217262
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-0543-9600000000-f9d09373785db6ebae93
+PK$NUM_PEAK: 19
+PK$PEAK: m/z int. rel.int.
+  27.4 3344 16
+  29.4 6567 32
+  44.3 111475 535
+  52.2 7411 36
+  53.3 36333 174
+  57.3 3853 19
+  70.3 2409 12
+  72.3 60946 293
+  79.2 5807 28
+  80.3 208027 999
+  90.1 2119 10
+  91.2 2372 11
+  100.3 32217 155
+  106.3 11544 55
+  108.2 127981 615
+  136.1 123360 592
+  179.2 3205 15
+  180.1 2450 12
+  192.1 4819 23
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01909.txt b/MSSJ/MSBNK-MSSJ-MSJ01909.txt
new file mode 100644
index 00000000000..aa57171bdfa
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01909.txt
@@ -0,0 +1,38 @@
+ACCESSION: MSBNK-MSSJ-MSJ01909
+RECORD_TITLE: Oxypertine; LC-ESI-QQ; MS; ESI; POSITIVE
+DATE: 2023.03.28
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230328-5.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Oxypertine
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C23H29N3O2
+CH$EXACT_MASS: 379.225965
+CH$SMILES: CC1=C(C2=CC(=C(C=C2N1)OC)OC)CCN3CCN(CC3)C4=CC=CC=C4
+CH$IUPAC: InChI=1S/C23H29N3O2/c1-17-19(20-15-22(27-2)23(28-3)16-21(20)24-17)9-10-25-11-13-26(14-12-25)18-7-5-4-6-8-18/h4-8,15-16,24H,9-14H2,1-3H3
+CH$LINK: CAS 153-87-7
+CH$LINK: CHEMSPIDER 4479
+CH$LINK: INCHIKEY XCWPUUGSGHNIDZ-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:4640
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.174 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+PK$SPLASH: splash10-001i-0009000000-59913de2d15fe9113e1d
+PK$NUM_PEAK: 5
+PK$PEAK: m/z int. rel.int.
+  218.2 25006 11
+  228.3 24095 11
+  380.4 2222223 999
+  381.4 594893 267
+  382.4 102620 46
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01910.txt b/MSSJ/MSBNK-MSSJ-MSJ01910.txt
new file mode 100644
index 00000000000..7d61e7318d5
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01910.txt
@@ -0,0 +1,40 @@
+ACCESSION: MSBNK-MSSJ-MSJ01910
+RECORD_TITLE: Oxypertine; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 10 V; [M+H]+
+DATE: 2023.03.28
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230328-5.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Oxypertine
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C23H29N3O2
+CH$EXACT_MASS: 379.225965
+CH$SMILES: CC1=C(C2=CC(=C(C=C2N1)OC)OC)CCN3CCN(CC3)C4=CC=CC=C4
+CH$IUPAC: InChI=1S/C23H29N3O2/c1-17-19(20-15-22(27-2)23(28-3)16-21(20)24-17)9-10-25-11-13-26(14-12-25)18-7-5-4-6-8-18/h4-8,15-16,24H,9-14H2,1-3H3
+CH$LINK: CAS 153-87-7
+CH$LINK: CHEMSPIDER 4479
+CH$LINK: INCHIKEY XCWPUUGSGHNIDZ-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:4640
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.174 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 380.233242
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-001i-0209000000-a0db528bae78d5624694
+PK$NUM_PEAK: 3
+PK$PEAK: m/z int. rel.int.
+  175.2 375171 230
+  218.2 127133 78
+  380.4 1626353 999
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01911.txt b/MSSJ/MSBNK-MSSJ-MSJ01911.txt
new file mode 100644
index 00000000000..2a0196c5f2d
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01911.txt
@@ -0,0 +1,42 @@
+ACCESSION: MSBNK-MSSJ-MSJ01911
+RECORD_TITLE: Oxypertine; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 20 V; [M+H]+
+DATE: 2023.03.28
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230328-5.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Oxypertine
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C23H29N3O2
+CH$EXACT_MASS: 379.225965
+CH$SMILES: CC1=C(C2=CC(=C(C=C2N1)OC)OC)CCN3CCN(CC3)C4=CC=CC=C4
+CH$IUPAC: InChI=1S/C23H29N3O2/c1-17-19(20-15-22(27-2)23(28-3)16-21(20)24-17)9-10-25-11-13-26(14-12-25)18-7-5-4-6-8-18/h4-8,15-16,24H,9-14H2,1-3H3
+CH$LINK: CAS 153-87-7
+CH$LINK: CHEMSPIDER 4479
+CH$LINK: INCHIKEY XCWPUUGSGHNIDZ-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:4640
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.174 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 380.233242
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-004i-0930000000-8efe90e650273c68fd88
+PK$NUM_PEAK: 5
+PK$PEAK: m/z int. rel.int.
+  70.2 12229 10
+  132.2 48147 40
+  175.2 1204115 999
+  218.2 487694 405
+  380.4 105698 88
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01912.txt b/MSSJ/MSBNK-MSSJ-MSJ01912.txt
new file mode 100644
index 00000000000..63c72e2c96f
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01912.txt
@@ -0,0 +1,48 @@
+ACCESSION: MSBNK-MSSJ-MSJ01912
+RECORD_TITLE: Oxypertine; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 30 V; [M+H]+
+DATE: 2023.03.28
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230328-5.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Oxypertine
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C23H29N3O2
+CH$EXACT_MASS: 379.225965
+CH$SMILES: CC1=C(C2=CC(=C(C=C2N1)OC)OC)CCN3CCN(CC3)C4=CC=CC=C4
+CH$IUPAC: InChI=1S/C23H29N3O2/c1-17-19(20-15-22(27-2)23(28-3)16-21(20)24-17)9-10-25-11-13-26(14-12-25)18-7-5-4-6-8-18/h4-8,15-16,24H,9-14H2,1-3H3
+CH$LINK: CAS 153-87-7
+CH$LINK: CHEMSPIDER 4479
+CH$LINK: INCHIKEY XCWPUUGSGHNIDZ-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:4640
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.174 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 380.233242
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-00or-1940000000-08b83999914378ea7bbd
+PK$NUM_PEAK: 11
+PK$PEAK: m/z int. rel.int.
+  70.3 168987 275
+  104.2 20330 33
+  132.2 166596 271
+  160.2 59548 97
+  174.2 7861 13
+  175.2 614361 999
+  187.2 38732 63
+  188.3 6719 11
+  202.2 12687 21
+  203.2 43431 71
+  218.2 400286 651
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01913.txt b/MSSJ/MSBNK-MSSJ-MSJ01913.txt
new file mode 100644
index 00000000000..403fa215411
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01913.txt
@@ -0,0 +1,66 @@
+ACCESSION: MSBNK-MSSJ-MSJ01913
+RECORD_TITLE: Oxypertine; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 40 V; [M+H]+
+DATE: 2023.03.28
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230328-5.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Oxypertine
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C23H29N3O2
+CH$EXACT_MASS: 379.225965
+CH$SMILES: CC1=C(C2=CC(=C(C=C2N1)OC)OC)CCN3CCN(CC3)C4=CC=CC=C4
+CH$IUPAC: InChI=1S/C23H29N3O2/c1-17-19(20-15-22(27-2)23(28-3)16-21(20)24-17)9-10-25-11-13-26(14-12-25)18-7-5-4-6-8-18/h4-8,15-16,24H,9-14H2,1-3H3
+CH$LINK: CAS 153-87-7
+CH$LINK: CHEMSPIDER 4479
+CH$LINK: INCHIKEY XCWPUUGSGHNIDZ-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:4640
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.174 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 380.233242
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-0fl0-3920000000-8fda6adce0d200fe528b
+PK$NUM_PEAK: 29
+PK$PEAK: m/z int. rel.int.
+  42.4 16379 69
+  56.2 2653 11
+  70.3 238782 999
+  77.2 8971 38
+  82.3 3823 16
+  91.1 3878 16
+  104.2 57311 240
+  117.2 5768 24
+  127.3 3242 14
+  131.2 6220 26
+  132.2 196393 822
+  144.3 6456 27
+  145.1 3341 14
+  147.1 3904 16
+  157.2 6875 29
+  159.2 7283 30
+  160.2 81856 342
+  172.2 24340 102
+  173.2 2690 11
+  174.2 47657 199
+  175.2 79783 334
+  184.1 6404 27
+  185.1 8542 36
+  186.2 4894 20
+  187.2 84387 353
+  188.1 31889 133
+  202.1 40529 170
+  203.2 51792 217
+  218.2 78683 329
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01914.txt b/MSSJ/MSBNK-MSSJ-MSJ01914.txt
new file mode 100644
index 00000000000..38997d18f12
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01914.txt
@@ -0,0 +1,77 @@
+ACCESSION: MSBNK-MSSJ-MSJ01914
+RECORD_TITLE: Oxypertine; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 50 V; [M+H]+
+DATE: 2023.03.28
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230328-5.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Oxypertine
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C23H29N3O2
+CH$EXACT_MASS: 379.225965
+CH$SMILES: CC1=C(C2=CC(=C(C=C2N1)OC)OC)CCN3CCN(CC3)C4=CC=CC=C4
+CH$IUPAC: InChI=1S/C23H29N3O2/c1-17-19(20-15-22(27-2)23(28-3)16-21(20)24-17)9-10-25-11-13-26(14-12-25)18-7-5-4-6-8-18/h4-8,15-16,24H,9-14H2,1-3H3
+CH$LINK: CAS 153-87-7
+CH$LINK: CHEMSPIDER 4479
+CH$LINK: INCHIKEY XCWPUUGSGHNIDZ-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:4640
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.174 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 380.233242
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-0fk9-3900000000-9915aaefea7ccaae500c
+PK$NUM_PEAK: 40
+PK$PEAK: m/z int. rel.int.
+  42.3 26769 159
+  57.4 3405 20
+  70.3 168460 999
+  77.2 23582 140
+  82.4 3131 19
+  91.3 1952 12
+  98.3 4122 24
+  104.2 113715 674
+  105.2 2693 16
+  115.8 2221 13
+  117.3 5604 33
+  120.4 5162 31
+  127.9 1879 11
+  129.2 3400 20
+  130.1 6092 36
+  131.1 7260 43
+  132.2 112700 668
+  133.2 11238 67
+  138.2 2262 13
+  143.2 5376 32
+  144.2 11769 70
+  145.3 4027 24
+  146.3 7861 47
+  147.3 4938 29
+  156.3 10393 62
+  157.2 15237 90
+  159.1 14672 87
+  160.1 61338 364
+  161.3 2729 16
+  172.2 48001 285
+  174.2 45529 270
+  175.1 20821 123
+  184.3 6652 39
+  185.2 3608 21
+  186.2 6976 41
+  187.2 44166 262
+  188.2 28305 168
+  202.2 44737 265
+  203.2 13467 80
+  218.2 8060 48
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01915.txt b/MSSJ/MSBNK-MSSJ-MSJ01915.txt
new file mode 100644
index 00000000000..30bbe034da6
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01915.txt
@@ -0,0 +1,41 @@
+ACCESSION: MSBNK-MSSJ-MSJ01915
+RECORD_TITLE: Oxypertine; LC-ESI-QQ; MS; ESI; NEGATIVE
+DATE: 2023.03.28
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230328-5.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Oxypertine
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C23H29N3O2
+CH$EXACT_MASS: 379.225965
+CH$SMILES: CC1=C(C2=CC(=C(C=C2N1)OC)OC)CCN3CCN(CC3)C4=CC=CC=C4
+CH$IUPAC: InChI=1S/C23H29N3O2/c1-17-19(20-15-22(27-2)23(28-3)16-21(20)24-17)9-10-25-11-13-26(14-12-25)18-7-5-4-6-8-18/h4-8,15-16,24H,9-14H2,1-3H3
+CH$LINK: CAS 153-87-7
+CH$LINK: CHEMSPIDER 4479
+CH$LINK: INCHIKEY XCWPUUGSGHNIDZ-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:4640
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.174 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+PK$SPLASH: splash10-004i-0009100000-38c660d5b95a90a09d4c
+PK$NUM_PEAK: 8
+PK$PEAK: m/z int. rel.int.
+  348.2 38381 10
+  363.2 55642 15
+  378.3 3655678 999
+  379.3 949868 260
+  380.3 128031 35
+  414.3 58357 16
+  424.3 689798 189
+  425.3 169731 46
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01916.txt b/MSSJ/MSBNK-MSSJ-MSJ01916.txt
new file mode 100644
index 00000000000..b6b5e9dc87e
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01916.txt
@@ -0,0 +1,41 @@
+ACCESSION: MSBNK-MSSJ-MSJ01916
+RECORD_TITLE: Oxypertine; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 10 V; [M-H]-
+DATE: 2023.03.28
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230328-5.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Oxypertine
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C23H29N3O2
+CH$EXACT_MASS: 379.225965
+CH$SMILES: CC1=C(C2=CC(=C(C=C2N1)OC)OC)CCN3CCN(CC3)C4=CC=CC=C4
+CH$IUPAC: InChI=1S/C23H29N3O2/c1-17-19(20-15-22(27-2)23(28-3)16-21(20)24-17)9-10-25-11-13-26(14-12-25)18-7-5-4-6-8-18/h4-8,15-16,24H,9-14H2,1-3H3
+CH$LINK: CAS 153-87-7
+CH$LINK: CHEMSPIDER 4479
+CH$LINK: INCHIKEY XCWPUUGSGHNIDZ-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:4640
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.174 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 378.218688
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+PK$SPLASH: splash10-004i-0009000000-ad7b6cf8d8d83e2fab45
+PK$NUM_PEAK: 4
+PK$PEAK: m/z int. rel.int.
+  188.0 9721 15
+  348.3 10328 16
+  363.2 60739 95
+  378.3 636917 999
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01917.txt b/MSSJ/MSBNK-MSSJ-MSJ01917.txt
new file mode 100644
index 00000000000..d77e29a0f7d
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01917.txt
@@ -0,0 +1,43 @@
+ACCESSION: MSBNK-MSSJ-MSJ01917
+RECORD_TITLE: Oxypertine; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 20 V; [M-H]-
+DATE: 2023.03.28
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230328-5.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Oxypertine
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C23H29N3O2
+CH$EXACT_MASS: 379.225965
+CH$SMILES: CC1=C(C2=CC(=C(C=C2N1)OC)OC)CCN3CCN(CC3)C4=CC=CC=C4
+CH$IUPAC: InChI=1S/C23H29N3O2/c1-17-19(20-15-22(27-2)23(28-3)16-21(20)24-17)9-10-25-11-13-26(14-12-25)18-7-5-4-6-8-18/h4-8,15-16,24H,9-14H2,1-3H3
+CH$LINK: CAS 153-87-7
+CH$LINK: CHEMSPIDER 4479
+CH$LINK: INCHIKEY XCWPUUGSGHNIDZ-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:4640
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.174 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 378.218688
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+PK$SPLASH: splash10-03di-0109000000-7410cf919ae5f65233a1
+PK$NUM_PEAK: 6
+PK$PEAK: m/z int. rel.int.
+  173.0 20602 99
+  186.1 2316 11
+  188.0 55639 266
+  348.2 79446 380
+  363.2 208840 999
+  378.3 104377 499
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01918.txt b/MSSJ/MSBNK-MSSJ-MSJ01918.txt
new file mode 100644
index 00000000000..e7c7fd77b02
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01918.txt
@@ -0,0 +1,44 @@
+ACCESSION: MSBNK-MSSJ-MSJ01918
+RECORD_TITLE: Oxypertine; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 30 V; [M-H]-
+DATE: 2023.03.28
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230328-5.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Oxypertine
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C23H29N3O2
+CH$EXACT_MASS: 379.225965
+CH$SMILES: CC1=C(C2=CC(=C(C=C2N1)OC)OC)CCN3CCN(CC3)C4=CC=CC=C4
+CH$IUPAC: InChI=1S/C23H29N3O2/c1-17-19(20-15-22(27-2)23(28-3)16-21(20)24-17)9-10-25-11-13-26(14-12-25)18-7-5-4-6-8-18/h4-8,15-16,24H,9-14H2,1-3H3
+CH$LINK: CAS 153-87-7
+CH$LINK: CHEMSPIDER 4479
+CH$LINK: INCHIKEY XCWPUUGSGHNIDZ-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:4640
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.174 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 378.218688
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+PK$SPLASH: splash10-0072-0907000000-f4dd37b104d59fe80bf0
+PK$NUM_PEAK: 7
+PK$PEAK: m/z int. rel.int.
+  145.1 1960 12
+  173.0 126424 783
+  186.0 4107 25
+  188.0 103389 640
+  320.1 5604 35
+  348.2 161339 999
+  363.2 19913 123
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01919.txt b/MSSJ/MSBNK-MSSJ-MSJ01919.txt
new file mode 100644
index 00000000000..c7e8fe2f550
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01919.txt
@@ -0,0 +1,44 @@
+ACCESSION: MSBNK-MSSJ-MSJ01919
+RECORD_TITLE: Oxypertine; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 40 V; [M-H]-
+DATE: 2023.03.28
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230328-5.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Oxypertine
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C23H29N3O2
+CH$EXACT_MASS: 379.225965
+CH$SMILES: CC1=C(C2=CC(=C(C=C2N1)OC)OC)CCN3CCN(CC3)C4=CC=CC=C4
+CH$IUPAC: InChI=1S/C23H29N3O2/c1-17-19(20-15-22(27-2)23(28-3)16-21(20)24-17)9-10-25-11-13-26(14-12-25)18-7-5-4-6-8-18/h4-8,15-16,24H,9-14H2,1-3H3
+CH$LINK: CAS 153-87-7
+CH$LINK: CHEMSPIDER 4479
+CH$LINK: INCHIKEY XCWPUUGSGHNIDZ-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:4640
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.174 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 378.218688
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+PK$SPLASH: splash10-00di-0900000000-0a7d6015880254fa10f1
+PK$NUM_PEAK: 7
+PK$PEAK: m/z int. rel.int.
+  130.1 3369 11
+  145.0 11461 39
+  157.9 5586 19
+  173.0 293569 999
+  185.9 9593 33
+  188.0 34270 117
+  348.1 26383 90
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01920.txt b/MSSJ/MSBNK-MSSJ-MSJ01920.txt
new file mode 100644
index 00000000000..f1021ae8c6a
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01920.txt
@@ -0,0 +1,44 @@
+ACCESSION: MSBNK-MSSJ-MSJ01920
+RECORD_TITLE: Oxypertine; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 50 V; [M-H]-
+DATE: 2023.03.28
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230328-5.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Oxypertine
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C23H29N3O2
+CH$EXACT_MASS: 379.225965
+CH$SMILES: CC1=C(C2=CC(=C(C=C2N1)OC)OC)CCN3CCN(CC3)C4=CC=CC=C4
+CH$IUPAC: InChI=1S/C23H29N3O2/c1-17-19(20-15-22(27-2)23(28-3)16-21(20)24-17)9-10-25-11-13-26(14-12-25)18-7-5-4-6-8-18/h4-8,15-16,24H,9-14H2,1-3H3
+CH$LINK: CAS 153-87-7
+CH$LINK: CHEMSPIDER 4479
+CH$LINK: INCHIKEY XCWPUUGSGHNIDZ-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:4640
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.174 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 378.218688
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+PK$SPLASH: splash10-00di-0900000000-3c2f8bbd85b6d58f989d
+PK$NUM_PEAK: 7
+PK$PEAK: m/z int. rel.int.
+  130.0 9944 51
+  145.0 30639 157
+  158.1 7993 41
+  173.0 194431 999
+  185.8 2778 14
+  187.9 3400 17
+  319.7 2013 10
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01921.txt b/MSSJ/MSBNK-MSSJ-MSJ01921.txt
new file mode 100644
index 00000000000..a65a8432dc4
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01921.txt
@@ -0,0 +1,36 @@
+ACCESSION: MSBNK-MSSJ-MSJ01921
+RECORD_TITLE: Olanzapine; LC-ESI-QQ; MS; ESI; POSITIVE
+DATE: 2023.03.28
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230328-5.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Olanzapine
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C17H20N4S
+CH$EXACT_MASS: 312.140851
+CH$SMILES: CC1=CC2=C(S1)NC3=CC=CC=C3N=C2N4CCN(CC4)C
+CH$IUPAC: InChI=1S/C17H20N4S/c1-12-11-13-16(21-9-7-20(2)8-10-21)18-14-5-3-4-6-15(14)19-17(13)22-12/h3-6,11,19H,7-10H2,1-2H3
+CH$LINK: CAS 132539-06-1
+CH$LINK: CHEMSPIDER 10442212
+CH$LINK: INCHIKEY KVWDHTXUZHCGIO-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:135398745
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.284 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+PK$SPLASH: splash10-03di-0009000000-5c1ba24a5ae57e099ebc
+PK$NUM_PEAK: 3
+PK$PEAK: m/z int. rel.int.
+  313.3 1915090 999
+  314.3 511594 267
+  315.3 133336 70
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01922.txt b/MSSJ/MSBNK-MSSJ-MSJ01922.txt
new file mode 100644
index 00000000000..03e739161d8
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01922.txt
@@ -0,0 +1,39 @@
+ACCESSION: MSBNK-MSSJ-MSJ01922
+RECORD_TITLE: Olanzapine; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 10 V; [M+H]+
+DATE: 2023.03.28
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230328-5.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Olanzapine
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C17H20N4S
+CH$EXACT_MASS: 312.140851
+CH$SMILES: CC1=CC2=C(S1)NC3=CC=CC=C3N=C2N4CCN(CC4)C
+CH$IUPAC: InChI=1S/C17H20N4S/c1-12-11-13-16(21-9-7-20(2)8-10-21)18-14-5-3-4-6-15(14)19-17(13)22-12/h3-6,11,19H,7-10H2,1-2H3
+CH$LINK: CAS 132539-06-1
+CH$LINK: CHEMSPIDER 10442212
+CH$LINK: INCHIKEY KVWDHTXUZHCGIO-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:135398745
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.284 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 313.148128
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-03di-0009000000-8b70f2b4b2a77178b33c
+PK$NUM_PEAK: 2
+PK$PEAK: m/z int. rel.int.
+  256.2 46797 38
+  313.3 1232122 999
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01923.txt b/MSSJ/MSBNK-MSSJ-MSJ01923.txt
new file mode 100644
index 00000000000..6098a15e812
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01923.txt
@@ -0,0 +1,45 @@
+ACCESSION: MSBNK-MSSJ-MSJ01923
+RECORD_TITLE: Olanzapine; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 20 V; [M+H]+
+DATE: 2023.03.28
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230328-5.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Olanzapine
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C17H20N4S
+CH$EXACT_MASS: 312.140851
+CH$SMILES: CC1=CC2=C(S1)NC3=CC=CC=C3N=C2N4CCN(CC4)C
+CH$IUPAC: InChI=1S/C17H20N4S/c1-12-11-13-16(21-9-7-20(2)8-10-21)18-14-5-3-4-6-15(14)19-17(13)22-12/h3-6,11,19H,7-10H2,1-2H3
+CH$LINK: CAS 132539-06-1
+CH$LINK: CHEMSPIDER 10442212
+CH$LINK: INCHIKEY KVWDHTXUZHCGIO-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:135398745
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.284 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 313.148128
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-08fr-3098000000-98da3b198c06bb2ba9b9
+PK$NUM_PEAK: 8
+PK$PEAK: m/z int. rel.int.
+  84.2 148722 349
+  85.3 5483 13
+  198.2 7744 18
+  213.1 14591 34
+  230.1 21937 51
+  256.2 370870 870
+  282.2 29370 69
+  313.3 425618 999
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01924.txt b/MSSJ/MSBNK-MSSJ-MSJ01924.txt
new file mode 100644
index 00000000000..eeee233e030
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01924.txt
@@ -0,0 +1,65 @@
+ACCESSION: MSBNK-MSSJ-MSJ01924
+RECORD_TITLE: Olanzapine; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 30 V; [M+H]+
+DATE: 2023.03.28
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230328-5.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Olanzapine
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C17H20N4S
+CH$EXACT_MASS: 312.140851
+CH$SMILES: CC1=CC2=C(S1)NC3=CC=CC=C3N=C2N4CCN(CC4)C
+CH$IUPAC: InChI=1S/C17H20N4S/c1-12-11-13-16(21-9-7-20(2)8-10-21)18-14-5-3-4-6-15(14)19-17(13)22-12/h3-6,11,19H,7-10H2,1-2H3
+CH$LINK: CAS 132539-06-1
+CH$LINK: CHEMSPIDER 10442212
+CH$LINK: INCHIKEY KVWDHTXUZHCGIO-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:135398745
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.284 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 313.148128
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-0a59-3290000000-a8c2e679acb0309b316b
+PK$NUM_PEAK: 28
+PK$PEAK: m/z int. rel.int.
+  42.3 22912 79
+  58.3 7755 27
+  84.3 164092 562
+  85.3 4245 15
+  94.3 3116 11
+  158.4 4055 14
+  169.1 14776 51
+  179.0 4023 14
+  180.1 15244 52
+  182.2 5306 18
+  186.1 10150 35
+  195.1 10691 37
+  198.1 50202 172
+  200.1 3239 11
+  212.1 7087 24
+  213.1 71786 246
+  214.1 5866 20
+  222.1 10307 35
+  223.2 7459 26
+  224.3 5361 18
+  227.2 7988 27
+  230.2 6075 21
+  239.2 6736 23
+  240.2 2915 10
+  241.2 3711 13
+  256.2 291455 999
+  282.2 41815 143
+  313.2 20650 71
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01925.txt b/MSSJ/MSBNK-MSSJ-MSJ01925.txt
new file mode 100644
index 00000000000..18f05d8ac29
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01925.txt
@@ -0,0 +1,129 @@
+ACCESSION: MSBNK-MSSJ-MSJ01925
+RECORD_TITLE: Olanzapine; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 40 V; [M+H]+
+DATE: 2023.03.28
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230328-5.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Olanzapine
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C17H20N4S
+CH$EXACT_MASS: 312.140851
+CH$SMILES: CC1=CC2=C(S1)NC3=CC=CC=C3N=C2N4CCN(CC4)C
+CH$IUPAC: InChI=1S/C17H20N4S/c1-12-11-13-16(21-9-7-20(2)8-10-21)18-14-5-3-4-6-15(14)19-17(13)22-12/h3-6,11,19H,7-10H2,1-2H3
+CH$LINK: CAS 132539-06-1
+CH$LINK: CHEMSPIDER 10442212
+CH$LINK: INCHIKEY KVWDHTXUZHCGIO-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:135398745
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.284 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 313.148128
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-07c2-2970000000-f132418d921475075ad4
+PK$NUM_PEAK: 92
+PK$PEAK: m/z int. rel.int.
+  30.4 915 10
+  42.3 23313 256
+  44.2 1657 18
+  53.3 1317 14
+  55.4 2599 29
+  56.2 1286 14
+  58.3 9916 109
+  65.3 950 10
+  68.3 1413 16
+  69.4 1255 14
+  72.3 1505 17
+  82.2 3525 39
+  83.3 1359 15
+  84.2 35157 386
+  85.3 4533 50
+  92.2 1774 19
+  98.4 1413 16
+  104.2 2875 32
+  106.2 1687 19
+  109.0 1413 16
+  115.2 1099 12
+  116.1 2606 29
+  117.2 1099 12
+  118.9 2096 23
+  120.3 2472 27
+  124.1 1012 11
+  126.8 1993 22
+  132.1 3889 43
+  140.1 1022 11
+  142.1 12500 137
+  146.1 3934 43
+  148.3 2064 23
+  150.2 1140 13
+  152.2 1939 21
+  153.3 4126 45
+  154.1 1381 15
+  155.2 1836 20
+  160.2 1349 15
+  167.2 3375 37
+  169.2 48480 532
+  170.3 2036 22
+  173.2 6838 75
+  174.0 1287 14
+  179.2 15269 168
+  180.2 28022 308
+  181.3 1427 16
+  182.2 2638 29
+  183.2 2761 30
+  184.9 1726 19
+  186.1 24923 274
+  187.0 1409 15
+  193.3 2119 23
+  194.3 1110 12
+  195.2 7124 78
+  196.2 3122 34
+  198.1 91011 999
+  200.2 5843 64
+  205.1 1059 12
+  206.3 1268 14
+  207.9 1673 18
+  210.1 1027 11
+  211.0 4492 49
+  212.1 20388 224
+  213.2 40490 444
+  214.9 5068 56
+  216.2 2122 23
+  218.2 1413 16
+  220.1 1059 12
+  221.0 2856 31
+  222.2 32292 354
+  223.3 5615 62
+  224.1 5976 66
+  225.0 1527 17
+  226.4 4779 52
+  227.2 5106 56
+  228.3 5065 56
+  229.1 934 10
+  230.1 1735 19
+  233.3 2832 31
+  238.1 1439 16
+  239.1 4040 44
+  240.1 3366 37
+  241.1 4054 44
+  241.9 1401 15
+  250.2 3386 37
+  254.0 1993 22
+  255.0 2873 32
+  256.2 59069 648
+  270.3 1413 16
+  282.1 9199 101
+  312.5 1355 15
+  313.2 1137 12
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01926.txt b/MSSJ/MSBNK-MSSJ-MSJ01926.txt
new file mode 100644
index 00000000000..30f3a79d4ad
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01926.txt
@@ -0,0 +1,156 @@
+ACCESSION: MSBNK-MSSJ-MSJ01926
+RECORD_TITLE: Olanzapine; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 50 V; [M+H]+
+DATE: 2023.03.28
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230328-5.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Olanzapine
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C17H20N4S
+CH$EXACT_MASS: 312.140851
+CH$SMILES: CC1=CC2=C(S1)NC3=CC=CC=C3N=C2N4CCN(CC4)C
+CH$IUPAC: InChI=1S/C17H20N4S/c1-12-11-13-16(21-9-7-20(2)8-10-21)18-14-5-3-4-6-15(14)19-17(13)22-12/h3-6,11,19H,7-10H2,1-2H3
+CH$LINK: CAS 132539-06-1
+CH$LINK: CHEMSPIDER 10442212
+CH$LINK: INCHIKEY KVWDHTXUZHCGIO-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:135398745
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.284 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 313.148128
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-00kb-2920000000-2daa5d6be75427da0257
+PK$NUM_PEAK: 119
+PK$PEAK: m/z int. rel.int.
+  29.3 705 10
+  30.4 2174 31
+  42.3 32393 459
+  43.4 1282 18
+  45.0 1055 15
+  52.6 1140 16
+  54.1 705 10
+  55.3 950 13
+  56.4 5048 72
+  58.3 6703 95
+  59.5 1624 23
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+  282.1 2638 37
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01927.txt b/MSSJ/MSBNK-MSSJ-MSJ01927.txt
new file mode 100644
index 00000000000..fba44fe5ada
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01927.txt
@@ -0,0 +1,48 @@
+ACCESSION: MSBNK-MSSJ-MSJ01927
+RECORD_TITLE: Olmesartan medoxomil; LC-ESI-QQ; MS; ESI; POSITIVE
+DATE: 2023.03.28
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230328-5.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Olmesartan medoxomil
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C29H30N6O6
+CH$EXACT_MASS: 558.22266
+CH$SMILES: CCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C4=NNN=N4)C(=O)OCC5=C(OC(=O)O5)C)C(C)(C)O
+CH$IUPAC: InChI=1S/C29H30N6O6/c1-5-8-23-30-25(29(3,4)38)24(27(36)39-16-22-17(2)40-28(37)41-22)35(23)15-18-11-13-19(14-12-18)20-9-6-7-10-21(20)26-31-33-34-32-26/h6-7,9-14,38H,5,8,15-16H2,1-4H3,(H,31,32,33,34)
+CH$LINK: CAS 144689-63-4
+CH$LINK: CHEMSPIDER 115748
+CH$LINK: INCHIKEY UQGKUQLKSCSZGY-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:130881
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.511 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+PK$SPLASH: splash10-0a4i-0000090000-7b62ddb7b4cb0cff5274
+PK$NUM_PEAK: 15
+PK$PEAK: m/z int. rel.int.
+  122.1 13565 13
+  255.3 13256 12
+  340.5 12715 12
+  429.3 14210 13
+  541.4 96392 90
+  542.2 29581 28
+  543.3 13490 13
+  559.3 1067964 999
+  560.4 340776 319
+  561.4 71088 66
+  562.4 10690 10
+  581.4 71852 67
+  582.3 33513 31
+  597.3 32581 30
+  603.4 11040 10
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01928.txt b/MSSJ/MSBNK-MSSJ-MSJ01928.txt
new file mode 100644
index 00000000000..8c1c375907d
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01928.txt
@@ -0,0 +1,51 @@
+ACCESSION: MSBNK-MSSJ-MSJ01928
+RECORD_TITLE: Olmesartan medoxomil; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 10 V; [M+H]+
+DATE: 2023.03.28
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230328-5.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Olmesartan medoxomil
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C29H30N6O6
+CH$EXACT_MASS: 558.22266
+CH$SMILES: CCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C4=NNN=N4)C(=O)OCC5=C(OC(=O)O5)C)C(C)(C)O
+CH$IUPAC: InChI=1S/C29H30N6O6/c1-5-8-23-30-25(29(3,4)38)24(27(36)39-16-22-17(2)40-28(37)41-22)35(23)15-18-11-13-19(14-12-18)20-9-6-7-10-21(20)26-31-33-34-32-26/h6-7,9-14,38H,5,8,15-16H2,1-4H3,(H,31,32,33,34)
+CH$LINK: CAS 144689-63-4
+CH$LINK: CHEMSPIDER 115748
+CH$LINK: INCHIKEY UQGKUQLKSCSZGY-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:130881
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.511 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 559.229937
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-0a4l-0000290000-8f490a037a8d7bb07285
+PK$NUM_PEAK: 14
+PK$PEAK: m/z int. rel.int.
+  177.1 4503 26
+  195.4 2171 13
+  207.2 16515 97
+  235.4 3258 19
+  275.3 8516 50
+  357.4 1905 11
+  383.4 1997 12
+  386.2 2280 13
+  425.4 3812 22
+  429.4 46911 275
+  447.4 10015 59
+  451.2 2552 15
+  541.4 110591 648
+  559.4 170506 999
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01929.txt b/MSSJ/MSBNK-MSSJ-MSJ01929.txt
new file mode 100644
index 00000000000..29e95def842
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01929.txt
@@ -0,0 +1,65 @@
+ACCESSION: MSBNK-MSSJ-MSJ01929
+RECORD_TITLE: Olmesartan medoxomil; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 20 V; [M+H]+
+DATE: 2023.03.28
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230328-5.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Olmesartan medoxomil
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C29H30N6O6
+CH$EXACT_MASS: 558.22266
+CH$SMILES: CCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C4=NNN=N4)C(=O)OCC5=C(OC(=O)O5)C)C(C)(C)O
+CH$IUPAC: InChI=1S/C29H30N6O6/c1-5-8-23-30-25(29(3,4)38)24(27(36)39-16-22-17(2)40-28(37)41-22)35(23)15-18-11-13-19(14-12-18)20-9-6-7-10-21(20)26-31-33-34-32-26/h6-7,9-14,38H,5,8,15-16H2,1-4H3,(H,31,32,33,34)
+CH$LINK: CAS 144689-63-4
+CH$LINK: CHEMSPIDER 115748
+CH$LINK: INCHIKEY UQGKUQLKSCSZGY-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:130881
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.511 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 559.229937
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-056r-0391720000-34d84a6a20bcdc28db5e
+PK$NUM_PEAK: 28
+PK$PEAK: m/z int. rel.int.
+  175.3 3071 27
+  177.3 7083 62
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+  425.2 3418 30
+  429.4 114207 999
+  447.3 4673 41
+  541.4 46250 405
+  559.5 1951 17
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01930.txt b/MSSJ/MSBNK-MSSJ-MSJ01930.txt
new file mode 100644
index 00000000000..44a361d6a23
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01930.txt
@@ -0,0 +1,52 @@
+ACCESSION: MSBNK-MSSJ-MSJ01930
+RECORD_TITLE: Olmesartan medoxomil; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 30 V; [M+H]+
+DATE: 2023.03.28
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230328-5.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Olmesartan medoxomil
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C29H30N6O6
+CH$EXACT_MASS: 558.22266
+CH$SMILES: CCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C4=NNN=N4)C(=O)OCC5=C(OC(=O)O5)C)C(C)(C)O
+CH$IUPAC: InChI=1S/C29H30N6O6/c1-5-8-23-30-25(29(3,4)38)24(27(36)39-16-22-17(2)40-28(37)41-22)35(23)15-18-11-13-19(14-12-18)20-9-6-7-10-21(20)26-31-33-34-32-26/h6-7,9-14,38H,5,8,15-16H2,1-4H3,(H,31,32,33,34)
+CH$LINK: CAS 144689-63-4
+CH$LINK: CHEMSPIDER 115748
+CH$LINK: INCHIKEY UQGKUQLKSCSZGY-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:130881
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.511 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 559.229937
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-0a4i-0290000000-1ca1b7ed98e9a14a7d7b
+PK$NUM_PEAK: 15
+PK$PEAK: m/z int. rel.int.
+  177.2 18513 77
+  178.2 8794 37
+  179.2 9807 41
+  180.2 4078 17
+  190.2 3677 15
+  191.2 2948 12
+  192.2 13450 56
+  195.2 17178 71
+  207.2 240298 999
+  233.3 7596 32
+  235.2 21101 88
+  247.3 3075 13
+  275.2 14125 59
+  325.3 2509 10
+  383.3 3768 16
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01931.txt b/MSSJ/MSBNK-MSSJ-MSJ01931.txt
new file mode 100644
index 00000000000..fa445874ffe
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01931.txt
@@ -0,0 +1,56 @@
+ACCESSION: MSBNK-MSSJ-MSJ01931
+RECORD_TITLE: Olmesartan medoxomil; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 40 V; [M+H]+
+DATE: 2023.03.28
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230328-5.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Olmesartan medoxomil
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C29H30N6O6
+CH$EXACT_MASS: 558.22266
+CH$SMILES: CCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C4=NNN=N4)C(=O)OCC5=C(OC(=O)O5)C)C(C)(C)O
+CH$IUPAC: InChI=1S/C29H30N6O6/c1-5-8-23-30-25(29(3,4)38)24(27(36)39-16-22-17(2)40-28(37)41-22)35(23)15-18-11-13-19(14-12-18)20-9-6-7-10-21(20)26-31-33-34-32-26/h6-7,9-14,38H,5,8,15-16H2,1-4H3,(H,31,32,33,34)
+CH$LINK: CAS 144689-63-4
+CH$LINK: CHEMSPIDER 115748
+CH$LINK: INCHIKEY UQGKUQLKSCSZGY-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:130881
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.511 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 559.229937
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-0a4i-0690000000-1090c84e927665f967c3
+PK$NUM_PEAK: 19
+PK$PEAK: m/z int. rel.int.
+  151.3 3071 19
+  153.3 7083 43
+  163.3 4593 28
+  177.2 39181 236
+  178.2 20579 124
+  179.3 7547 45
+  180.2 19279 116
+  190.2 12569 76
+  191.2 6998 42
+  192.1 21303 128
+  193.2 3071 19
+  195.2 6399 39
+  205.1 6183 37
+  206.2 19348 117
+  207.2 165831 999
+  233.3 11574 70
+  235.2 11708 71
+  247.3 1951 12
+  270.0 2044 12
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01932.txt b/MSSJ/MSBNK-MSSJ-MSJ01932.txt
new file mode 100644
index 00000000000..54fe6307676
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01932.txt
@@ -0,0 +1,67 @@
+ACCESSION: MSBNK-MSSJ-MSJ01932
+RECORD_TITLE: Olmesartan medoxomil; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 50 V; [M+H]+
+DATE: 2023.03.28
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230328-5.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Olmesartan medoxomil
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C29H30N6O6
+CH$EXACT_MASS: 558.22266
+CH$SMILES: CCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C4=NNN=N4)C(=O)OCC5=C(OC(=O)O5)C)C(C)(C)O
+CH$IUPAC: InChI=1S/C29H30N6O6/c1-5-8-23-30-25(29(3,4)38)24(27(36)39-16-22-17(2)40-28(37)41-22)35(23)15-18-11-13-19(14-12-18)20-9-6-7-10-21(20)26-31-33-34-32-26/h6-7,9-14,38H,5,8,15-16H2,1-4H3,(H,31,32,33,34)
+CH$LINK: CAS 144689-63-4
+CH$LINK: CHEMSPIDER 115748
+CH$LINK: INCHIKEY UQGKUQLKSCSZGY-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:130881
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.511 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 559.229937
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-0a4i-0970000000-5d91d3c45ecce41be251
+PK$NUM_PEAK: 30
+PK$PEAK: m/z int. rel.int.
+  79.6 2345 23
+  80.3 3902 39
+  105.3 1020 10
+  115.4 2044 20
+  129.1 1196 12
+  140.3 1776 18
+  149.2 1532 15
+  151.2 1609 16
+  153.2 11970 119
+  163.1 1020 10
+  165.3 4472 45
+  166.1 1020 10
+  167.3 4305 43
+  177.3 24581 245
+  178.2 25506 254
+  179.2 9105 91
+  180.2 26745 266
+  188.2 1020 10
+  190.2 18003 179
+  191.2 11993 119
+  192.1 22950 228
+  195.4 3522 35
+  205.2 10955 109
+  206.2 16188 161
+  207.2 100341 999
+  208.2 1863 19
+  217.0 1020 10
+  233.3 3445 34
+  234.7 1922 19
+  274.4 2044 20
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01933.txt b/MSSJ/MSBNK-MSSJ-MSJ01933.txt
new file mode 100644
index 00000000000..c6cdc535339
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01933.txt
@@ -0,0 +1,39 @@
+ACCESSION: MSBNK-MSSJ-MSJ01933
+RECORD_TITLE: Olmesartan medoxomil; LC-ESI-QQ; MS; ESI; NEGATIVE
+DATE: 2023.03.28
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230328-5.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Olmesartan medoxomil
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C29H30N6O6
+CH$EXACT_MASS: 558.22266
+CH$SMILES: CCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C4=NNN=N4)C(=O)OCC5=C(OC(=O)O5)C)C(C)(C)O
+CH$IUPAC: InChI=1S/C29H30N6O6/c1-5-8-23-30-25(29(3,4)38)24(27(36)39-16-22-17(2)40-28(37)41-22)35(23)15-18-11-13-19(14-12-18)20-9-6-7-10-21(20)26-31-33-34-32-26/h6-7,9-14,38H,5,8,15-16H2,1-4H3,(H,31,32,33,34)
+CH$LINK: CAS 144689-63-4
+CH$LINK: CHEMSPIDER 115748
+CH$LINK: INCHIKEY UQGKUQLKSCSZGY-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:130881
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.511 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+PK$SPLASH: splash10-0a4i-0000090000-e3a3c8464b514d316e10
+PK$NUM_PEAK: 6
+PK$PEAK: m/z int. rel.int.
+  401.3 140297 21
+  441.3 73443 11
+  445.3 70951 11
+  557.3 6547133 999
+  558.3 1981901 302
+  559.3 354254 54
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01934.txt b/MSSJ/MSBNK-MSSJ-MSJ01934.txt
new file mode 100644
index 00000000000..4f821743ec8
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01934.txt
@@ -0,0 +1,42 @@
+ACCESSION: MSBNK-MSSJ-MSJ01934
+RECORD_TITLE: Olmesartan medoxomil; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 10 V; [M-H]-
+DATE: 2023.03.28
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230328-5.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Olmesartan medoxomil
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C29H30N6O6
+CH$EXACT_MASS: 558.22266
+CH$SMILES: CCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C4=NNN=N4)C(=O)OCC5=C(OC(=O)O5)C)C(C)(C)O
+CH$IUPAC: InChI=1S/C29H30N6O6/c1-5-8-23-30-25(29(3,4)38)24(27(36)39-16-22-17(2)40-28(37)41-22)35(23)15-18-11-13-19(14-12-18)20-9-6-7-10-21(20)26-31-33-34-32-26/h6-7,9-14,38H,5,8,15-16H2,1-4H3,(H,31,32,33,34)
+CH$LINK: CAS 144689-63-4
+CH$LINK: CHEMSPIDER 115748
+CH$LINK: INCHIKEY UQGKUQLKSCSZGY-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:130881
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.511 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 557.215383
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+PK$SPLASH: splash10-0a4i-0000090000-4c44ee20325eebad8ba5
+PK$NUM_PEAK: 5
+PK$PEAK: m/z int. rel.int.
+  167.2 32777 33
+  401.3 21238 21
+  445.3 28861 29
+  556.5 275514 273
+  557.4 1006926 999
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01935.txt b/MSSJ/MSBNK-MSSJ-MSJ01935.txt
new file mode 100644
index 00000000000..949c88291ff
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01935.txt
@@ -0,0 +1,66 @@
+ACCESSION: MSBNK-MSSJ-MSJ01935
+RECORD_TITLE: Olmesartan medoxomil; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 20 V; [M-H]-
+DATE: 2023.03.28
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230328-5.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Olmesartan medoxomil
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C29H30N6O6
+CH$EXACT_MASS: 558.22266
+CH$SMILES: CCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C4=NNN=N4)C(=O)OCC5=C(OC(=O)O5)C)C(C)(C)O
+CH$IUPAC: InChI=1S/C29H30N6O6/c1-5-8-23-30-25(29(3,4)38)24(27(36)39-16-22-17(2)40-28(37)41-22)35(23)15-18-11-13-19(14-12-18)20-9-6-7-10-21(20)26-31-33-34-32-26/h6-7,9-14,38H,5,8,15-16H2,1-4H3,(H,31,32,33,34)
+CH$LINK: CAS 144689-63-4
+CH$LINK: CHEMSPIDER 115748
+CH$LINK: INCHIKEY UQGKUQLKSCSZGY-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:130881
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.511 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 557.215383
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+PK$SPLASH: splash10-0ldi-0903730000-5cb2f4b429f662b717e3
+PK$NUM_PEAK: 29
+PK$PEAK: m/z int. rel.int.
+  82.1 6107 21
+  109.2 8050 28
+  149.2 60529 209
+  151.2 3730 13
+  167.2 289454 999
+  183.0 4818 17
+  193.2 3792 13
+  219.1 5622 19
+  273.3 3816 13
+  285.2 3467 12
+  287.3 3150 11
+  313.3 4765 16
+  315.3 5560 19
+  343.3 30077 104
+  371.3 46705 161
+  373.3 17501 60
+  383.3 11948 41
+  388.2 11491 40
+  400.5 32240 111
+  401.3 127556 440
+  414.5 9683 33
+  415.3 20861 72
+  423.3 3771 13
+  427.4 5976 21
+  441.4 50342 174
+  444.5 10228 35
+  445.4 67934 234
+  556.5 50929 176
+  557.4 100598 347
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01936.txt b/MSSJ/MSBNK-MSSJ-MSJ01936.txt
new file mode 100644
index 00000000000..a702c49b663
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01936.txt
@@ -0,0 +1,56 @@
+ACCESSION: MSBNK-MSSJ-MSJ01936
+RECORD_TITLE: Olmesartan medoxomil; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 30 V; [M-H]-
+DATE: 2023.03.28
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230328-5.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Olmesartan medoxomil
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C29H30N6O6
+CH$EXACT_MASS: 558.22266
+CH$SMILES: CCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C4=NNN=N4)C(=O)OCC5=C(OC(=O)O5)C)C(C)(C)O
+CH$IUPAC: InChI=1S/C29H30N6O6/c1-5-8-23-30-25(29(3,4)38)24(27(36)39-16-22-17(2)40-28(37)41-22)35(23)15-18-11-13-19(14-12-18)20-9-6-7-10-21(20)26-31-33-34-32-26/h6-7,9-14,38H,5,8,15-16H2,1-4H3,(H,31,32,33,34)
+CH$LINK: CAS 144689-63-4
+CH$LINK: CHEMSPIDER 115748
+CH$LINK: INCHIKEY UQGKUQLKSCSZGY-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:130881
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.511 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 557.215383
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+PK$SPLASH: splash10-014j-0901000000-2dede79b2424c06197b9
+PK$NUM_PEAK: 19
+PK$PEAK: m/z int. rel.int.
+  85.5 8066 16
+  109.2 74561 145
+  120.1 5473 11
+  149.2 298009 582
+  151.1 22611 44
+  165.1 5766 11
+  167.1 511963 999
+  178.1 8676 17
+  179.1 6024 12
+  193.2 8798 17
+  205.2 9001 18
+  219.2 8041 16
+  287.2 14071 27
+  315.2 13758 27
+  329.1 8132 16
+  343.3 51282 100
+  371.3 18283 36
+  373.3 22802 44
+  401.3 46558 91
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01937.txt b/MSSJ/MSBNK-MSSJ-MSJ01937.txt
new file mode 100644
index 00000000000..f5f04ebacb5
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01937.txt
@@ -0,0 +1,54 @@
+ACCESSION: MSBNK-MSSJ-MSJ01937
+RECORD_TITLE: Olmesartan medoxomil; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 40 V; [M-H]-
+DATE: 2023.03.28
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230328-5.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Olmesartan medoxomil
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C29H30N6O6
+CH$EXACT_MASS: 558.22266
+CH$SMILES: CCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C4=NNN=N4)C(=O)OCC5=C(OC(=O)O5)C)C(C)(C)O
+CH$IUPAC: InChI=1S/C29H30N6O6/c1-5-8-23-30-25(29(3,4)38)24(27(36)39-16-22-17(2)40-28(37)41-22)35(23)15-18-11-13-19(14-12-18)20-9-6-7-10-21(20)26-31-33-34-32-26/h6-7,9-14,38H,5,8,15-16H2,1-4H3,(H,31,32,33,34)
+CH$LINK: CAS 144689-63-4
+CH$LINK: CHEMSPIDER 115748
+CH$LINK: INCHIKEY UQGKUQLKSCSZGY-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:130881
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.511 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 557.215383
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+PK$SPLASH: splash10-00kb-0900000000-50152898624055d59ba3
+PK$NUM_PEAK: 17
+PK$PEAK: m/z int. rel.int.
+  109.2 130724 225
+  120.2 9997 17
+  149.2 579190 999
+  151.2 31211 54
+  165.0 8391 14
+  167.1 349179 602
+  177.2 11050 19
+  178.1 13769 24
+  179.1 8578 15
+  192.2 5869 10
+  193.1 7735 13
+  206.1 6295 11
+  211.1 6166 11
+  242.1 6226 11
+  285.1 9490 16
+  315.3 9599 17
+  343.3 16543 29
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01938.txt b/MSSJ/MSBNK-MSSJ-MSJ01938.txt
new file mode 100644
index 00000000000..85fabc50dbe
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01938.txt
@@ -0,0 +1,50 @@
+ACCESSION: MSBNK-MSSJ-MSJ01938
+RECORD_TITLE: Olmesartan medoxomil; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 50 V; [M-H]-
+DATE: 2023.03.28
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230328-5.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Olmesartan medoxomil
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C29H30N6O6
+CH$EXACT_MASS: 558.22266
+CH$SMILES: CCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C4=NNN=N4)C(=O)OCC5=C(OC(=O)O5)C)C(C)(C)O
+CH$IUPAC: InChI=1S/C29H30N6O6/c1-5-8-23-30-25(29(3,4)38)24(27(36)39-16-22-17(2)40-28(37)41-22)35(23)15-18-11-13-19(14-12-18)20-9-6-7-10-21(20)26-31-33-34-32-26/h6-7,9-14,38H,5,8,15-16H2,1-4H3,(H,31,32,33,34)
+CH$LINK: CAS 144689-63-4
+CH$LINK: CHEMSPIDER 115748
+CH$LINK: INCHIKEY UQGKUQLKSCSZGY-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:130881
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.511 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 557.215383
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+PK$SPLASH: splash10-0002-0900000000-d06249c29c859c145942
+PK$NUM_PEAK: 13
+PK$PEAK: m/z int. rel.int.
+  80.2 12258 21
+  109.2 158989 274
+  120.2 32389 56
+  149.2 579054 999
+  151.1 33072 57
+  167.1 117569 203
+  178.1 7242 12
+  179.1 10273 18
+  193.1 7203 12
+  206.2 6205 11
+  242.2 12852 22
+  284.2 6808 12
+  285.2 16224 28
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01939.txt b/MSSJ/MSBNK-MSSJ-MSJ01939.txt
new file mode 100644
index 00000000000..6a3b026cdec
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01939.txt
@@ -0,0 +1,37 @@
+ACCESSION: MSBNK-MSSJ-MSJ01939
+RECORD_TITLE: Carbamazepine; LC-ESI-QQ; MS; ESI; POSITIVE
+DATE: 2023.03.28
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230328-5.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Carbamazepine
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C15H12N2O
+CH$EXACT_MASS: 236.094955
+CH$SMILES: C1=CC=C2C(=C1)C=CC3=CC=CC=C3N2C(=O)N
+CH$IUPAC: InChI=1S/C15H12N2O/c16-15(18)17-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)17/h1-10H,(H2,16,18)
+CH$LINK: CAS 298-46-4
+CH$LINK: CHEMSPIDER 2457
+CH$LINK: INCHIKEY FFGPTBGBLSHEPO-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:2554
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.428 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+PK$SPLASH: splash10-000i-0090000000-e85b59b436665e635503
+PK$NUM_PEAK: 4
+PK$PEAK: m/z int. rel.int.
+  194.2 28464 12
+  237.2 2300668 999
+  238.2 388775 169
+  239.2 34364 15
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01940.txt b/MSSJ/MSBNK-MSSJ-MSJ01940.txt
new file mode 100644
index 00000000000..08d33395947
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01940.txt
@@ -0,0 +1,40 @@
+ACCESSION: MSBNK-MSSJ-MSJ01940
+RECORD_TITLE: Carbamazepine; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 10 V; [M+H]+
+DATE: 2023.03.28
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230328-5.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Carbamazepine
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C15H12N2O
+CH$EXACT_MASS: 236.094955
+CH$SMILES: C1=CC=C2C(=C1)C=CC3=CC=CC=C3N2C(=O)N
+CH$IUPAC: InChI=1S/C15H12N2O/c16-15(18)17-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)17/h1-10H,(H2,16,18)
+CH$LINK: CAS 298-46-4
+CH$LINK: CHEMSPIDER 2457
+CH$LINK: INCHIKEY FFGPTBGBLSHEPO-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:2554
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.428 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 237.102232
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-000i-0290000000-85ea839ead7676906623
+PK$NUM_PEAK: 3
+PK$PEAK: m/z int. rel.int.
+  192.2 66785 28
+  194.2 507444 209
+  237.2 2422301 999
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01941.txt b/MSSJ/MSBNK-MSSJ-MSJ01941.txt
new file mode 100644
index 00000000000..6a5753f7878
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01941.txt
@@ -0,0 +1,43 @@
+ACCESSION: MSBNK-MSSJ-MSJ01941
+RECORD_TITLE: Carbamazepine; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 20 V; [M+H]+
+DATE: 2023.03.28
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230328-5.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Carbamazepine
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C15H12N2O
+CH$EXACT_MASS: 236.094955
+CH$SMILES: C1=CC=C2C(=C1)C=CC3=CC=CC=C3N2C(=O)N
+CH$IUPAC: InChI=1S/C15H12N2O/c16-15(18)17-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)17/h1-10H,(H2,16,18)
+CH$LINK: CAS 298-46-4
+CH$LINK: CHEMSPIDER 2457
+CH$LINK: INCHIKEY FFGPTBGBLSHEPO-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:2554
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.428 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 237.102232
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-0006-0910000000-0a95552a1c3e121a3f26
+PK$NUM_PEAK: 6
+PK$PEAK: m/z int. rel.int.
+  179.2 22939 13
+  192.1 375378 220
+  193.2 81732 48
+  194.2 1704206 999
+  220.1 24352 14
+  237.1 243696 143
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01942.txt b/MSSJ/MSBNK-MSSJ-MSJ01942.txt
new file mode 100644
index 00000000000..fdf5ad1d3cb
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01942.txt
@@ -0,0 +1,51 @@
+ACCESSION: MSBNK-MSSJ-MSJ01942
+RECORD_TITLE: Carbamazepine; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 30 V; [M+H]+
+DATE: 2023.03.28
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230328-5.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Carbamazepine
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C15H12N2O
+CH$EXACT_MASS: 236.094955
+CH$SMILES: C1=CC=C2C(=C1)C=CC3=CC=CC=C3N2C(=O)N
+CH$IUPAC: InChI=1S/C15H12N2O/c16-15(18)17-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)17/h1-10H,(H2,16,18)
+CH$LINK: CAS 298-46-4
+CH$LINK: CHEMSPIDER 2457
+CH$LINK: INCHIKEY FFGPTBGBLSHEPO-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:2554
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.428 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 237.102232
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-0006-0900000000-fc64f4473558d94e7bd3
+PK$NUM_PEAK: 14
+PK$PEAK: m/z int. rel.int.
+  116.2 13054 15
+  117.2 8995 10
+  152.1 22523 25
+  165.1 58661 66
+  166.1 12145 14
+  167.1 41013 46
+  177.1 22735 26
+  178.2 23035 26
+  179.1 155452 176
+  190.1 12301 14
+  191.2 53891 61
+  192.1 300761 340
+  193.2 291587 329
+  194.1 884785 999
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01943.txt b/MSSJ/MSBNK-MSSJ-MSJ01943.txt
new file mode 100644
index 00000000000..f6351479277
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01943.txt
@@ -0,0 +1,64 @@
+ACCESSION: MSBNK-MSSJ-MSJ01943
+RECORD_TITLE: Carbamazepine; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 40 V; [M+H]+
+DATE: 2023.03.28
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230328-5.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Carbamazepine
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C15H12N2O
+CH$EXACT_MASS: 236.094955
+CH$SMILES: C1=CC=C2C(=C1)C=CC3=CC=CC=C3N2C(=O)N
+CH$IUPAC: InChI=1S/C15H12N2O/c16-15(18)17-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)17/h1-10H,(H2,16,18)
+CH$LINK: CAS 298-46-4
+CH$LINK: CHEMSPIDER 2457
+CH$LINK: INCHIKEY FFGPTBGBLSHEPO-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:2554
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.428 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 237.102232
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-0006-0900000000-b6f3fb718dce3052a202
+PK$NUM_PEAK: 27
+PK$PEAK: m/z int. rel.int.
+  65.2 3022 10
+  89.2 9330 32
+  90.2 8346 28
+  91.2 21194 72
+  115.1 4645 16
+  116.1 24095 82
+  117.2 24138 82
+  128.2 5401 18
+  139.1 5213 18
+  141.1 4346 15
+  151.1 10389 35
+  152.1 51901 176
+  153.1 4764 16
+  164.1 7716 26
+  165.1 135204 458
+  166.1 26996 91
+  167.1 73744 250
+  168.2 5400 18
+  176.0 10055 34
+  177.0 20658 70
+  178.1 43567 148
+  179.1 160336 543
+  190.1 41013 139
+  191.1 93868 318
+  192.1 221948 752
+  193.2 294970 999
+  194.1 154271 522
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01944.txt b/MSSJ/MSBNK-MSSJ-MSJ01944.txt
new file mode 100644
index 00000000000..653f5f6d4b3
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01944.txt
@@ -0,0 +1,74 @@
+ACCESSION: MSBNK-MSSJ-MSJ01944
+RECORD_TITLE: Carbamazepine; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 50 V; [M+H]+
+DATE: 2023.03.28
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230328-5.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Carbamazepine
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C15H12N2O
+CH$EXACT_MASS: 236.094955
+CH$SMILES: C1=CC=C2C(=C1)C=CC3=CC=CC=C3N2C(=O)N
+CH$IUPAC: InChI=1S/C15H12N2O/c16-15(18)17-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)17/h1-10H,(H2,16,18)
+CH$LINK: CAS 298-46-4
+CH$LINK: CHEMSPIDER 2457
+CH$LINK: INCHIKEY FFGPTBGBLSHEPO-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:2554
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.428 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 237.102232
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-0006-0900000000-50a30c58dd629f003c24
+PK$NUM_PEAK: 37
+PK$PEAK: m/z int. rel.int.
+  41.2 2040 12
+  44.3 4064 24
+  63.1 2426 15
+  65.2 13923 84
+  77.2 7705 46
+  89.2 44557 268
+  90.2 32869 198
+  91.2 8068 49
+  101.3 3239 20
+  102.4 2765 17
+  115.2 19279 116
+  116.1 10588 64
+  117.2 20421 123
+  127.1 2796 17
+  128.2 16072 97
+  139.1 16555 100
+  140.1 13809 83
+  143.1 2466 15
+  151.1 43159 260
+  152.1 50556 305
+  153.2 9008 54
+  154.2 4521 27
+  163.2 11732 71
+  164.2 24550 148
+  165.1 131645 793
+  166.1 36481 220
+  167.1 52505 316
+  168.1 2067 12
+  176.1 12006 72
+  177.1 18044 109
+  178.1 73163 441
+  179.1 87409 526
+  190.1 49554 298
+  191.1 165863 999
+  192.1 158989 958
+  193.2 136269 821
+  194.1 31088 187
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01945.txt b/MSSJ/MSBNK-MSSJ-MSJ01945.txt
new file mode 100644
index 00000000000..184d8e64cb0
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01945.txt
@@ -0,0 +1,41 @@
+ACCESSION: MSBNK-MSSJ-MSJ01945
+RECORD_TITLE: Carpipramine; LC-ESI-QQ; MS; ESI; POSITIVE
+DATE: 2023.03.28
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230328-6.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Carpipramine
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C28H38N4O
+CH$EXACT_MASS: 446.304545
+CH$SMILES: C1CCN(CC1)C2(CCN(CC2)CCCN3C4=CC=CC=C4CCC5=CC=CC=C53)C(=O)N
+CH$IUPAC: InChI=1S/C28H38N4O/c29-27(33)28(31-18-6-1-7-19-31)15-21-30(22-16-28)17-8-20-32-25-11-4-2-9-23(25)13-14-24-10-3-5-12-26(24)32/h2-5,9-12H,1,6-8,13-22H2,(H2,29,33)
+CH$LINK: CAS 5942-95-0
+CH$LINK: CHEMSPIDER 2482
+CH$LINK: INCHIKEY NWPJLRSCSQHPJV-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:2580
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.788 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+PK$SPLASH: splash10-0002-0000900000-c7fa4cb8467dce42e479
+PK$NUM_PEAK: 8
+PK$PEAK: m/z int. rel.int.
+  114.2 14552 11
+  225.1 18647 15
+  250.2 16858 13
+  333.3 19991 16
+  355.3 13364 10
+  447.5 1280007 999
+  448.4 209116 163
+  449.3 35397 28
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01946.txt b/MSSJ/MSBNK-MSSJ-MSJ01946.txt
new file mode 100644
index 00000000000..5980b27b4dc
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01946.txt
@@ -0,0 +1,39 @@
+ACCESSION: MSBNK-MSSJ-MSJ01946
+RECORD_TITLE: Carpipramine; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 10 V; [M+H]+
+DATE: 2023.03.28
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230328-5.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Carpipramine
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C28H38N4O
+CH$EXACT_MASS: 446.304545
+CH$SMILES: C1CCN(CC1)C2(CCN(CC2)CCCN3C4=CC=CC=C4CCC5=CC=CC=C53)C(=O)N
+CH$IUPAC: InChI=1S/C28H38N4O/c29-27(33)28(31-18-6-1-7-19-31)15-21-30(22-16-28)17-8-20-32-25-11-4-2-9-23(25)13-14-24-10-3-5-12-26(24)32/h2-5,9-12H,1,6-8,13-22H2,(H2,29,33)
+CH$LINK: CAS 5942-95-0
+CH$LINK: CHEMSPIDER 2482
+CH$LINK: INCHIKEY NWPJLRSCSQHPJV-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:2580
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.788 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 447.311822
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-0002-0000900000-df5a5f91ec7dd0f2f3b3
+PK$NUM_PEAK: 2
+PK$PEAK: m/z int. rel.int.
+  141.3 47748 24
+  447.4 2021991 999
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01947.txt b/MSSJ/MSBNK-MSSJ-MSJ01947.txt
new file mode 100644
index 00000000000..21ec8516a40
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01947.txt
@@ -0,0 +1,43 @@
+ACCESSION: MSBNK-MSSJ-MSJ01947
+RECORD_TITLE: Carpipramine; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 20 V; [M+H]+
+DATE: 2023.03.28
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230328-5.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Carpipramine
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C28H38N4O
+CH$EXACT_MASS: 446.304545
+CH$SMILES: C1CCN(CC1)C2(CCN(CC2)CCCN3C4=CC=CC=C4CCC5=CC=CC=C53)C(=O)N
+CH$IUPAC: InChI=1S/C28H38N4O/c29-27(33)28(31-18-6-1-7-19-31)15-21-30(22-16-28)17-8-20-32-25-11-4-2-9-23(25)13-14-24-10-3-5-12-26(24)32/h2-5,9-12H,1,6-8,13-22H2,(H2,29,33)
+CH$LINK: CAS 5942-95-0
+CH$LINK: CHEMSPIDER 2482
+CH$LINK: INCHIKEY NWPJLRSCSQHPJV-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:2580
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.788 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 447.311822
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-0002-1400900000-2d7f3872b7aa59a99e55
+PK$NUM_PEAK: 6
+PK$PEAK: m/z int. rel.int.
+  98.2 145962 177
+  112.2 16123 20
+  141.2 445655 540
+  252.3 89194 108
+  402.4 22773 28
+  447.5 823998 999
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01948.txt b/MSSJ/MSBNK-MSSJ-MSJ01948.txt
new file mode 100644
index 00000000000..14311ea4db7
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01948.txt
@@ -0,0 +1,46 @@
+ACCESSION: MSBNK-MSSJ-MSJ01948
+RECORD_TITLE: Carpipramine; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 30 V; [M+H]+
+DATE: 2023.03.28
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230328-5.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Carpipramine
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C28H38N4O
+CH$EXACT_MASS: 446.304545
+CH$SMILES: C1CCN(CC1)C2(CCN(CC2)CCCN3C4=CC=CC=C4CCC5=CC=CC=C53)C(=O)N
+CH$IUPAC: InChI=1S/C28H38N4O/c29-27(33)28(31-18-6-1-7-19-31)15-21-30(22-16-28)17-8-20-32-25-11-4-2-9-23(25)13-14-24-10-3-5-12-26(24)32/h2-5,9-12H,1,6-8,13-22H2,(H2,29,33)
+CH$LINK: CAS 5942-95-0
+CH$LINK: CHEMSPIDER 2482
+CH$LINK: INCHIKEY NWPJLRSCSQHPJV-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:2580
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.788 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 447.311822
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-0005-8910000000-bc8fe16bbc37c7143886
+PK$NUM_PEAK: 9
+PK$PEAK: m/z int. rel.int.
+  98.3 582947 999
+  112.3 94251 162
+  138.2 12579 22
+  139.2 15324 26
+  141.2 508648 872
+  208.2 20524 35
+  222.2 15585 27
+  252.3 95453 164
+  447.3 25933 44
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01949.txt b/MSSJ/MSBNK-MSSJ-MSJ01949.txt
new file mode 100644
index 00000000000..fdf705979f2
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01949.txt
@@ -0,0 +1,47 @@
+ACCESSION: MSBNK-MSSJ-MSJ01949
+RECORD_TITLE: Carpipramine; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 40 V; [M+H]+
+DATE: 2023.03.28
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230328-5.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Carpipramine
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C28H38N4O
+CH$EXACT_MASS: 446.304545
+CH$SMILES: C1CCN(CC1)C2(CCN(CC2)CCCN3C4=CC=CC=C4CCC5=CC=CC=C53)C(=O)N
+CH$IUPAC: InChI=1S/C28H38N4O/c29-27(33)28(31-18-6-1-7-19-31)15-21-30(22-16-28)17-8-20-32-25-11-4-2-9-23(25)13-14-24-10-3-5-12-26(24)32/h2-5,9-12H,1,6-8,13-22H2,(H2,29,33)
+CH$LINK: CAS 5942-95-0
+CH$LINK: CHEMSPIDER 2482
+CH$LINK: INCHIKEY NWPJLRSCSQHPJV-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:2580
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.788 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 447.311822
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-0002-9200000000-ccb7eb9208cb5c6407ee
+PK$NUM_PEAK: 10
+PK$PEAK: m/z int. rel.int.
+  55.3 20703 23
+  70.3 15823 18
+  98.2 895220 999
+  112.3 108247 121
+  138.3 12285 14
+  139.3 10770 12
+  141.2 120284 134
+  208.2 19784 22
+  222.3 20714 23
+  252.3 32413 36
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01950.txt b/MSSJ/MSBNK-MSSJ-MSJ01950.txt
new file mode 100644
index 00000000000..0981176561c
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01950.txt
@@ -0,0 +1,50 @@
+ACCESSION: MSBNK-MSSJ-MSJ01950
+RECORD_TITLE: Carpipramine; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 50 V; [M+H]+
+DATE: 2023.03.28
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230328-5.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Carpipramine
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C28H38N4O
+CH$EXACT_MASS: 446.304545
+CH$SMILES: C1CCN(CC1)C2(CCN(CC2)CCCN3C4=CC=CC=C4CCC5=CC=CC=C53)C(=O)N
+CH$IUPAC: InChI=1S/C28H38N4O/c29-27(33)28(31-18-6-1-7-19-31)15-21-30(22-16-28)17-8-20-32-25-11-4-2-9-23(25)13-14-24-10-3-5-12-26(24)32/h2-5,9-12H,1,6-8,13-22H2,(H2,29,33)
+CH$LINK: CAS 5942-95-0
+CH$LINK: CHEMSPIDER 2482
+CH$LINK: INCHIKEY NWPJLRSCSQHPJV-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:2580
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.788 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 447.311822
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-0002-9100000000-d7d00cddb895001e248f
+PK$NUM_PEAK: 13
+PK$PEAK: m/z int. rel.int.
+  44.3 14186 23
+  55.3 52663 86
+  70.2 27135 44
+  81.3 7906 13
+  98.3 612818 999
+  112.2 54208 88
+  138.3 8207 13
+  139.3 9285 15
+  141.2 21243 35
+  193.2 18187 30
+  208.3 14500 24
+  222.2 18672 30
+  252.3 6720 11
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01951.txt b/MSSJ/MSBNK-MSSJ-MSJ01951.txt
new file mode 100644
index 00000000000..db3dd793503
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01951.txt
@@ -0,0 +1,123 @@
+ACCESSION: MSBNK-MSSJ-MSJ01951
+RECORD_TITLE: Carpipramine; LC-ESI-QQ; MS; ESI; NEGATIVE
+DATE: 2023.03.28
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230328-6.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Carpipramine
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C28H38N4O
+CH$EXACT_MASS: 446.304545
+CH$SMILES: C1CCN(CC1)C2(CCN(CC2)CCCN3C4=CC=CC=C4CCC5=CC=CC=C53)C(=O)N
+CH$IUPAC: InChI=1S/C28H38N4O/c29-27(33)28(31-18-6-1-7-19-31)15-21-30(22-16-28)17-8-20-32-25-11-4-2-9-23(25)13-14-24-10-3-5-12-26(24)32/h2-5,9-12H,1,6-8,13-22H2,(H2,29,33)
+CH$LINK: CAS 5942-95-0
+CH$LINK: CHEMSPIDER 2482
+CH$LINK: INCHIKEY NWPJLRSCSQHPJV-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:2580
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.788 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+PK$SPLASH: splash10-0002-0222900000-40e3f6f7af5177052058
+PK$NUM_PEAK: 90
+PK$PEAK: m/z int. rel.int.
+  109.1 7138 14
+  111.0 5329 10
+  115.0 7944 15
+  131.0 15723 31
+  135.0 5561 11
+  139.2 5855 11
+  141.1 8231 16
+  143.9 6228 12
+  146.1 7296 14
+  148.8 6603 13
+  153.1 7180 14
+  157.2 5660 11
+  159.0 12854 25
+  164.6 12751 25
+  167.1 5935 12
+  169.0 6828 13
+  172.3 10345 20
+  174.0 5721 11
+  180.9 11754 23
+  186.9 13252 26
+  191.4 7555 15
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+  198.9 6088 12
+  200.5 7654 15
+  201.3 8362 16
+  207.0 5243 10
+  212.9 12467 24
+  214.3 5920 12
+  216.9 10076 20
+  220.1 5170 10
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+  240.9 10853 21
+  243.0 13619 27
+  249.5 5758 11
+  253.1 12040 23
+  256.9 13348 26
+  259.1 8075 16
+  270.9 14871 29
+  273.1 7894 15
+  275.2 7561 15
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+  281.1 12246 24
+  287.3 5408 11
+  289.0 14163 28
+  293.2 5560 11
+  299.2 10488 20
+  307.1 9696 19
+  310.2 5786 11
+  313.1 9514 19
+  321.1 10356 20
+  323.2 9632 19
+  326.9 5311 10
+  333.2 8428 16
+  335.0 9642 19
+  337.0 7165 14
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+  345.4 20153 39
+  346.6 5913 12
+  354.4 7585 15
+  357.1 6591 13
+  358.7 5700 11
+  362.3 5144 10
+  363.1 9526 19
+  367.3 10318 20
+  369.0 8157 16
+  371.2 7193 14
+  375.1 7493 15
+  383.3 6978 14
+  391.5 7025 14
+  397.1 8311 16
+  398.4 6025 12
+  401.5 9072 18
+  403.2 5674 11
+  408.2 6613 13
+  419.5 11906 23
+  427.2 6673 13
+  438.5 5174 10
+  445.3 513353 999
+  447.4 26353 51
+  467.1 7253 14
+  481.1 17208 33
+  482.5 13839 27
+  483.5 9698 19
+  484.1 6188 12
+  491.3 95854 187
+  492.5 38823 76
+  509.4 5196 10
+  592.3 5695 11
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01952.txt b/MSSJ/MSBNK-MSSJ-MSJ01952.txt
new file mode 100644
index 00000000000..028a8f9b149
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01952.txt
@@ -0,0 +1,41 @@
+ACCESSION: MSBNK-MSSJ-MSJ01952
+RECORD_TITLE: Carpipramine; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 10 V; [M-H]-
+DATE: 2023.03.28
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230328-5.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Carpipramine
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C28H38N4O
+CH$EXACT_MASS: 446.304545
+CH$SMILES: C1CCN(CC1)C2(CCN(CC2)CCCN3C4=CC=CC=C4CCC5=CC=CC=C53)C(=O)N
+CH$IUPAC: InChI=1S/C28H38N4O/c29-27(33)28(31-18-6-1-7-19-31)15-21-30(22-16-28)17-8-20-32-25-11-4-2-9-23(25)13-14-24-10-3-5-12-26(24)32/h2-5,9-12H,1,6-8,13-22H2,(H2,29,33)
+CH$LINK: CAS 5942-95-0
+CH$LINK: CHEMSPIDER 2482
+CH$LINK: INCHIKEY NWPJLRSCSQHPJV-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:2580
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.788 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 445.297268
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+PK$SPLASH: splash10-0002-0000900000-7635e793efd1d914bdfb
+PK$NUM_PEAK: 4
+PK$PEAK: m/z int. rel.int.
+  133.2 4209 11
+  279.1 14300 37
+  413.2 12637 33
+  445.4 383050 999
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01953.txt b/MSSJ/MSBNK-MSSJ-MSJ01953.txt
new file mode 100644
index 00000000000..4a081ec4ac9
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01953.txt
@@ -0,0 +1,45 @@
+ACCESSION: MSBNK-MSSJ-MSJ01953
+RECORD_TITLE: Carpipramine; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 20 V; [M-H]-
+DATE: 2023.03.28
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230328-5.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Carpipramine
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C28H38N4O
+CH$EXACT_MASS: 446.304545
+CH$SMILES: C1CCN(CC1)C2(CCN(CC2)CCCN3C4=CC=CC=C4CCC5=CC=CC=C53)C(=O)N
+CH$IUPAC: InChI=1S/C28H38N4O/c29-27(33)28(31-18-6-1-7-19-31)15-21-30(22-16-28)17-8-20-32-25-11-4-2-9-23(25)13-14-24-10-3-5-12-26(24)32/h2-5,9-12H,1,6-8,13-22H2,(H2,29,33)
+CH$LINK: CAS 5942-95-0
+CH$LINK: CHEMSPIDER 2482
+CH$LINK: INCHIKEY NWPJLRSCSQHPJV-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:2580
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.788 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 445.297268
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+PK$SPLASH: splash10-0002-0000900000-8cac32f178cacdfa448f
+PK$NUM_PEAK: 8
+PK$PEAK: m/z int. rel.int.
+  85.2 5288 23
+  97.1 4874 21
+  115.0 5299 23
+  133.0 3135 14
+  194.1 13562 59
+  279.1 2638 11
+  360.1 4251 18
+  445.4 230296 999
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01954.txt b/MSSJ/MSBNK-MSSJ-MSJ01954.txt
new file mode 100644
index 00000000000..77e107f500e
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01954.txt
@@ -0,0 +1,52 @@
+ACCESSION: MSBNK-MSSJ-MSJ01954
+RECORD_TITLE: Carpipramine; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 30 V; [M-H]-
+DATE: 2023.03.28
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230328-5.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Carpipramine
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C28H38N4O
+CH$EXACT_MASS: 446.304545
+CH$SMILES: C1CCN(CC1)C2(CCN(CC2)CCCN3C4=CC=CC=C4CCC5=CC=CC=C53)C(=O)N
+CH$IUPAC: InChI=1S/C28H38N4O/c29-27(33)28(31-18-6-1-7-19-31)15-21-30(22-16-28)17-8-20-32-25-11-4-2-9-23(25)13-14-24-10-3-5-12-26(24)32/h2-5,9-12H,1,6-8,13-22H2,(H2,29,33)
+CH$LINK: CAS 5942-95-0
+CH$LINK: CHEMSPIDER 2482
+CH$LINK: INCHIKEY NWPJLRSCSQHPJV-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:2580
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.788 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 445.297268
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+PK$SPLASH: splash10-0006-3901400000-1aee948ad03feaf876b8
+PK$NUM_PEAK: 15
+PK$PEAK: m/z int. rel.int.
+  42.2 15282 321
+  59.1 1740 37
+  69.2 2048 43
+  84.9 1276 27
+  96.8 2534 53
+  115.0 1702 36
+  122.1 890 19
+  133.1 3169 67
+  189.3 1276 27
+  191.1 890 19
+  194.1 47506 999
+  210.0 890 19
+  360.2 6134 129
+  377.0 890 19
+  445.4 27527 579
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01955.txt b/MSSJ/MSBNK-MSSJ-MSJ01955.txt
new file mode 100644
index 00000000000..977b6a2b24b
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01955.txt
@@ -0,0 +1,51 @@
+ACCESSION: MSBNK-MSSJ-MSJ01955
+RECORD_TITLE: Carpipramine; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 40 V; [M-H]-
+DATE: 2023.03.28
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230328-5.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Carpipramine
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C28H38N4O
+CH$EXACT_MASS: 446.304545
+CH$SMILES: C1CCN(CC1)C2(CCN(CC2)CCCN3C4=CC=CC=C4CCC5=CC=CC=C53)C(=O)N
+CH$IUPAC: InChI=1S/C28H38N4O/c29-27(33)28(31-18-6-1-7-19-31)15-21-30(22-16-28)17-8-20-32-25-11-4-2-9-23(25)13-14-24-10-3-5-12-26(24)32/h2-5,9-12H,1,6-8,13-22H2,(H2,29,33)
+CH$LINK: CAS 5942-95-0
+CH$LINK: CHEMSPIDER 2482
+CH$LINK: INCHIKEY NWPJLRSCSQHPJV-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:2580
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.788 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 445.297268
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+PK$SPLASH: splash10-0006-9700000000-74212ae8e0805b006221
+PK$NUM_PEAK: 14
+PK$PEAK: m/z int. rel.int.
+  42.2 20091 856
+  59.1 4254 181
+  67.0 444 19
+  69.1 1335 57
+  85.1 3384 144
+  97.0 1773 76
+  108.2 444 19
+  114.7 444 19
+  133.3 864 37
+  162.7 444 19
+  192.0 890 38
+  194.2 23436 999
+  360.1 444 19
+  445.4 850 36
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01956.txt b/MSSJ/MSBNK-MSSJ-MSJ01956.txt
new file mode 100644
index 00000000000..0e8468928ef
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01956.txt
@@ -0,0 +1,49 @@
+ACCESSION: MSBNK-MSSJ-MSJ01956
+RECORD_TITLE: Carpipramine; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 50 V; [M-H]-
+DATE: 2023.03.28
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230328-5.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Carpipramine
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C28H38N4O
+CH$EXACT_MASS: 446.304545
+CH$SMILES: C1CCN(CC1)C2(CCN(CC2)CCCN3C4=CC=CC=C4CCC5=CC=CC=C53)C(=O)N
+CH$IUPAC: InChI=1S/C28H38N4O/c29-27(33)28(31-18-6-1-7-19-31)15-21-30(22-16-28)17-8-20-32-25-11-4-2-9-23(25)13-14-24-10-3-5-12-26(24)32/h2-5,9-12H,1,6-8,13-22H2,(H2,29,33)
+CH$LINK: CAS 5942-95-0
+CH$LINK: CHEMSPIDER 2482
+CH$LINK: INCHIKEY NWPJLRSCSQHPJV-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:2580
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.788 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 445.297268
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+PK$SPLASH: splash10-0006-9600000000-3fcbac75b85feaeacdab
+PK$NUM_PEAK: 12
+PK$PEAK: m/z int. rel.int.
+  42.2 14170 999
+  57.3 1662 117
+  59.2 2029 143
+  66.8 444 31
+  70.9 890 63
+  85.2 1800 127
+  121.0 444 31
+  123.1 1276 90
+  192.1 1780 125
+  194.1 10640 750
+  358.4 890 63
+  439.9 444 31
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01957.txt b/MSSJ/MSBNK-MSSJ-MSJ01957.txt
new file mode 100644
index 00000000000..57ab3b85408
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01957.txt
@@ -0,0 +1,36 @@
+ACCESSION: MSBNK-MSSJ-MSJ01957
+RECORD_TITLE: Carvedilol; LC-ESI-QQ; MS; ESI; POSITIVE
+DATE: 2023.03.28
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230328-6.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Carvedilol
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C24H26N2O4
+CH$EXACT_MASS: 406.18925
+CH$SMILES: COC1=CC=CC=C1OCCNCC(COC2=CC=CC3=C2C4=CC=CC=C4N3)O
+CH$IUPAC: InChI=1S/C24H26N2O4/c1-28-21-10-4-5-11-22(21)29-14-13-25-15-17(27)16-30-23-12-6-9-20-24(23)18-7-2-3-8-19(18)26-20/h2-12,17,25-27H,13-16H2,1H3
+CH$LINK: CAS 72956-09-3
+CH$LINK: CHEMSPIDER 2487
+CH$LINK: INCHIKEY OGHNVEJMJSYVRP-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:2585
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.274 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+PK$SPLASH: splash10-0a4i-0000900000-de9f72b34bcf6a8b48a1
+PK$NUM_PEAK: 3
+PK$PEAK: m/z int. rel.int.
+  407.3 1952643 999
+  408.3 531881 272
+  409.3 104465 53
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01958.txt b/MSSJ/MSBNK-MSSJ-MSJ01958.txt
new file mode 100644
index 00000000000..f53d76bbb2b
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01958.txt
@@ -0,0 +1,38 @@
+ACCESSION: MSBNK-MSSJ-MSJ01958
+RECORD_TITLE: Carvedilol; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 10 V; [M+H]+
+DATE: 2023.03.28
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230328-6.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Carvedilol
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C24H26N2O4
+CH$EXACT_MASS: 406.18925
+CH$SMILES: COC1=CC=CC=C1OCCNCC(COC2=CC=CC3=C2C4=CC=CC=C4N3)O
+CH$IUPAC: InChI=1S/C24H26N2O4/c1-28-21-10-4-5-11-22(21)29-14-13-25-15-17(27)16-30-23-12-6-9-20-24(23)18-7-2-3-8-19(18)26-20/h2-12,17,25-27H,13-16H2,1H3
+CH$LINK: CAS 72956-09-3
+CH$LINK: CHEMSPIDER 2487
+CH$LINK: INCHIKEY OGHNVEJMJSYVRP-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:2585
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.274 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 407.196527
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-0a4i-0000900000-8e7ae74c5b0102e7be83
+PK$NUM_PEAK: 1
+PK$PEAK: m/z int. rel.int.
+  407.3 1556422 999
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01959.txt b/MSSJ/MSBNK-MSSJ-MSJ01959.txt
new file mode 100644
index 00000000000..890071190b1
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01959.txt
@@ -0,0 +1,53 @@
+ACCESSION: MSBNK-MSSJ-MSJ01959
+RECORD_TITLE: Carvedilol; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 20 V; [M+H]+
+DATE: 2023.03.28
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230328-6.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Carvedilol
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C24H26N2O4
+CH$EXACT_MASS: 406.18925
+CH$SMILES: COC1=CC=CC=C1OCCNCC(COC2=CC=CC3=C2C4=CC=CC=C4N3)O
+CH$IUPAC: InChI=1S/C24H26N2O4/c1-28-21-10-4-5-11-22(21)29-14-13-25-15-17(27)16-30-23-12-6-9-20-24(23)18-7-2-3-8-19(18)26-20/h2-12,17,25-27H,13-16H2,1H3
+CH$LINK: CAS 72956-09-3
+CH$LINK: CHEMSPIDER 2487
+CH$LINK: INCHIKEY OGHNVEJMJSYVRP-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:2585
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.274 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 407.196527
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-0a4i-0150900000-07b3564ff256fd5a03e6
+PK$NUM_PEAK: 16
+PK$PEAK: m/z int. rel.int.
+  44.4 7985 15
+  56.3 5772 11
+  58.3 5803 11
+  100.2 46399 85
+  168.2 5959 11
+  180.3 10757 20
+  184.0 8433 15
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+  196.1 8683 16
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+  210.2 9485 17
+  222.2 114840 210
+  224.2 102834 188
+  240.3 6170 11
+  283.2 71936 131
+  407.3 546582 999
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01960.txt b/MSSJ/MSBNK-MSSJ-MSJ01960.txt
new file mode 100644
index 00000000000..ebb396e50a0
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01960.txt
@@ -0,0 +1,78 @@
+ACCESSION: MSBNK-MSSJ-MSJ01960
+RECORD_TITLE: Carvedilol; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 30 V; [M+H]+
+DATE: 2023.03.28
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230328-6.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Carvedilol
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C24H26N2O4
+CH$EXACT_MASS: 406.18925
+CH$SMILES: COC1=CC=CC=C1OCCNCC(COC2=CC=CC3=C2C4=CC=CC=C4N3)O
+CH$IUPAC: InChI=1S/C24H26N2O4/c1-28-21-10-4-5-11-22(21)29-14-13-25-15-17(27)16-30-23-12-6-9-20-24(23)18-7-2-3-8-19(18)26-20/h2-12,17,25-27H,13-16H2,1H3
+CH$LINK: CAS 72956-09-3
+CH$LINK: CHEMSPIDER 2487
+CH$LINK: INCHIKEY OGHNVEJMJSYVRP-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:2585
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.274 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 407.196527
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-0uk9-2950000000-5c4b359979817bdd3b81
+PK$NUM_PEAK: 41
+PK$PEAK: m/z int. rel.int.
+  44.3 13375 54
+  55.2 3650 15
+  56.3 44521 179
+  58.2 10836 44
+  70.2 4290 17
+  72.4 4683 19
+  74.3 4304 17
+  82.3 15955 64
+  84.4 3714 15
+  86.3 21337 86
+  88.2 3908 16
+  93.1 6866 28
+  95.2 2843 11
+  100.2 247837 999
+  102.4 3237 13
+  121.3 11490 46
+  123.3 8024 32
+  135.0 5228 21
+  151.2 14718 59
+  166.9 3884 16
+  168.1 4680 19
+  180.2 24124 97
+  183.2 5995 24
+  184.1 17433 70
+  194.2 70386 284
+  196.1 23549 95
+  198.2 3584 14
+  204.3 3023 12
+  206.2 12942 52
+  207.2 4475 18
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+  212.4 5510 22
+  222.2 93465 377
+  224.2 78565 317
+  236.3 3131 13
+  237.8 3681 15
+  247.2 3932 16
+  283.2 18921 76
+  407.1 5915 24
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01961.txt b/MSSJ/MSBNK-MSSJ-MSJ01961.txt
new file mode 100644
index 00000000000..0f88c784f6f
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01961.txt
@@ -0,0 +1,90 @@
+ACCESSION: MSBNK-MSSJ-MSJ01961
+RECORD_TITLE: Carvedilol; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 40 V; [M+H]+
+DATE: 2023.03.28
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230328-6.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Carvedilol
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C24H26N2O4
+CH$EXACT_MASS: 406.18925
+CH$SMILES: COC1=CC=CC=C1OCCNCC(COC2=CC=CC3=C2C4=CC=CC=C4N3)O
+CH$IUPAC: InChI=1S/C24H26N2O4/c1-28-21-10-4-5-11-22(21)29-14-13-25-15-17(27)16-30-23-12-6-9-20-24(23)18-7-2-3-8-19(18)26-20/h2-12,17,25-27H,13-16H2,1H3
+CH$LINK: CAS 72956-09-3
+CH$LINK: CHEMSPIDER 2487
+CH$LINK: INCHIKEY OGHNVEJMJSYVRP-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:2585
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.274 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 407.196527
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-0zfr-6910000000-744137f7f8805bb9328c
+PK$NUM_PEAK: 53
+PK$PEAK: m/z int. rel.int.
+  41.4 3980 23
+  42.3 10469 60
+  43.3 2491 14
+  44.3 14063 81
+  45.4 2606 15
+  56.3 124449 713
+  57.3 4462 26
+  58.3 7094 41
+  68.2 3571 20
+  70.4 3006 17
+  72.3 2014 12
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+  82.3 17431 100
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+  95.2 7378 42
+  100.2 174367 999
+  119.1 4574 26
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+  123.2 16627 95
+  124.4 2894 17
+  130.1 2448 14
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+  136.3 7032 40
+  137.1 2922 17
+  151.3 9913 57
+  154.0 2568 15
+  156.1 3783 22
+  160.1 2451 14
+  161.9 2285 13
+  166.2 7223 41
+  167.1 8373 48
+  168.2 12738 73
+  177.3 2340 13
+  180.1 4839 28
+  183.2 15603 89
+  184.0 13612 78
+  192.1 6880 39
+  194.1 46579 267
+  196.2 10476 60
+  208.0 4542 26
+  209.2 2340 13
+  210.2 8807 50
+  219.2 1767 10
+  222.1 32530 186
+  224.2 7549 43
+  238.2 2451 14
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01962.txt b/MSSJ/MSBNK-MSSJ-MSJ01962.txt
new file mode 100644
index 00000000000..27c8f857e96
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01962.txt
@@ -0,0 +1,94 @@
+ACCESSION: MSBNK-MSSJ-MSJ01962
+RECORD_TITLE: Carvedilol; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 50 V; [M+H]+
+DATE: 2023.03.28
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230328-6.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Carvedilol
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C24H26N2O4
+CH$EXACT_MASS: 406.18925
+CH$SMILES: COC1=CC=CC=C1OCCNCC(COC2=CC=CC3=C2C4=CC=CC=C4N3)O
+CH$IUPAC: InChI=1S/C24H26N2O4/c1-28-21-10-4-5-11-22(21)29-14-13-25-15-17(27)16-30-23-12-6-9-20-24(23)18-7-2-3-8-19(18)26-20/h2-12,17,25-27H,13-16H2,1H3
+CH$LINK: CAS 72956-09-3
+CH$LINK: CHEMSPIDER 2487
+CH$LINK: INCHIKEY OGHNVEJMJSYVRP-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:2585
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.274 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 407.196527
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-0pb9-9800000000-2c52c072ec31039737a3
+PK$NUM_PEAK: 57
+PK$PEAK: m/z int. rel.int.
+  28.4 3292 24
+  29.4 1485 11
+  30.4 2366 17
+  39.3 4463 32
+  41.3 5183 37
+  42.4 10807 78
+  44.4 13040 94
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+  155.1 6877 50
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+  165.0 2451 18
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+  179.1 5051 36
+  180.1 5136 37
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+  196.1 5298 38
+  204.1 3228 23
+  207.1 1809 13
+  210.2 1447 10
+  222.2 5940 43
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01963.txt b/MSSJ/MSBNK-MSSJ-MSJ01963.txt
new file mode 100644
index 00000000000..fb6ab207cd3
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01963.txt
@@ -0,0 +1,39 @@
+ACCESSION: MSBNK-MSSJ-MSJ01963
+RECORD_TITLE: Carvedilol; LC-ESI-QQ; MS; ESI; NEGATIVE
+DATE: 2023.03.28
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230328-6.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Carvedilol
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C24H26N2O4
+CH$EXACT_MASS: 406.18925
+CH$SMILES: COC1=CC=CC=C1OCCNCC(COC2=CC=CC3=C2C4=CC=CC=C4N3)O
+CH$IUPAC: InChI=1S/C24H26N2O4/c1-28-21-10-4-5-11-22(21)29-14-13-25-15-17(27)16-30-23-12-6-9-20-24(23)18-7-2-3-8-19(18)26-20/h2-12,17,25-27H,13-16H2,1H3
+CH$LINK: CAS 72956-09-3
+CH$LINK: CHEMSPIDER 2487
+CH$LINK: INCHIKEY OGHNVEJMJSYVRP-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:2585
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.274 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+PK$SPLASH: splash10-0a4i-0000900000-89fd354fe4845c1ef4ff
+PK$NUM_PEAK: 6
+PK$PEAK: m/z int. rel.int.
+  405.2 5262884 999
+  406.3 1296193 246
+  407.3 174576 33
+  441.3 91549 17
+  451.2 643356 122
+  452.2 168499 32
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01964.txt b/MSSJ/MSBNK-MSSJ-MSJ01964.txt
new file mode 100644
index 00000000000..92a911c95c2
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01964.txt
@@ -0,0 +1,39 @@
+ACCESSION: MSBNK-MSSJ-MSJ01964
+RECORD_TITLE: Carvedilol; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 10 V; [M-H]-
+DATE: 2023.03.28
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230328-6.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Carvedilol
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C24H26N2O4
+CH$EXACT_MASS: 406.18925
+CH$SMILES: COC1=CC=CC=C1OCCNCC(COC2=CC=CC3=C2C4=CC=CC=C4N3)O
+CH$IUPAC: InChI=1S/C24H26N2O4/c1-28-21-10-4-5-11-22(21)29-14-13-25-15-17(27)16-30-23-12-6-9-20-24(23)18-7-2-3-8-19(18)26-20/h2-12,17,25-27H,13-16H2,1H3
+CH$LINK: CAS 72956-09-3
+CH$LINK: CHEMSPIDER 2487
+CH$LINK: INCHIKEY OGHNVEJMJSYVRP-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:2585
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.274 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 405.181973
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+PK$SPLASH: splash10-0a4i-0000900000-de631958fd8d8a39d387
+PK$NUM_PEAK: 2
+PK$PEAK: m/z int. rel.int.
+  181.1 25827 24
+  405.2 1054549 999
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01965.txt b/MSSJ/MSBNK-MSSJ-MSJ01965.txt
new file mode 100644
index 00000000000..e6f5c80fa34
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01965.txt
@@ -0,0 +1,45 @@
+ACCESSION: MSBNK-MSSJ-MSJ01965
+RECORD_TITLE: Carvedilol; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 20 V; [M-H]-
+DATE: 2023.03.28
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230328-6.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Carvedilol
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C24H26N2O4
+CH$EXACT_MASS: 406.18925
+CH$SMILES: COC1=CC=CC=C1OCCNCC(COC2=CC=CC3=C2C4=CC=CC=C4N3)O
+CH$IUPAC: InChI=1S/C24H26N2O4/c1-28-21-10-4-5-11-22(21)29-14-13-25-15-17(27)16-30-23-12-6-9-20-24(23)18-7-2-3-8-19(18)26-20/h2-12,17,25-27H,13-16H2,1H3
+CH$LINK: CAS 72956-09-3
+CH$LINK: CHEMSPIDER 2487
+CH$LINK: INCHIKEY OGHNVEJMJSYVRP-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:2585
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.274 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 405.181973
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+PK$SPLASH: splash10-0a59-0800900000-8732dcdcea3bf30be848
+PK$NUM_PEAK: 8
+PK$PEAK: m/z int. rel.int.
+  109.0 15013 41
+  181.1 261371 713
+  182.0 14031 38
+  196.0 48554 132
+  210.2 3832 10
+  224.1 13438 37
+  281.2 12748 35
+  405.2 366138 999
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01966.txt b/MSSJ/MSBNK-MSSJ-MSJ01966.txt
new file mode 100644
index 00000000000..0e849269167
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01966.txt
@@ -0,0 +1,46 @@
+ACCESSION: MSBNK-MSSJ-MSJ01966
+RECORD_TITLE: Carvedilol; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 30 V; [M-H]-
+DATE: 2023.03.28
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230328-6.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Carvedilol
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C24H26N2O4
+CH$EXACT_MASS: 406.18925
+CH$SMILES: COC1=CC=CC=C1OCCNCC(COC2=CC=CC3=C2C4=CC=CC=C4N3)O
+CH$IUPAC: InChI=1S/C24H26N2O4/c1-28-21-10-4-5-11-22(21)29-14-13-25-15-17(27)16-30-23-12-6-9-20-24(23)18-7-2-3-8-19(18)26-20/h2-12,17,25-27H,13-16H2,1H3
+CH$LINK: CAS 72956-09-3
+CH$LINK: CHEMSPIDER 2487
+CH$LINK: INCHIKEY OGHNVEJMJSYVRP-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:2585
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.274 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 405.181973
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+PK$SPLASH: splash10-001i-0900000000-cf7147089acc48fb21c7
+PK$NUM_PEAK: 9
+PK$PEAK: m/z int. rel.int.
+  108.1 6261 10
+  109.0 7377 12
+  123.0 7456 12
+  181.1 604563 999
+  182.1 24929 41
+  195.0 7841 13
+  196.1 28611 47
+  224.1 23681 39
+  405.1 13758 23
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01967.txt b/MSSJ/MSBNK-MSSJ-MSJ01967.txt
new file mode 100644
index 00000000000..088b913c442
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01967.txt
@@ -0,0 +1,42 @@
+ACCESSION: MSBNK-MSSJ-MSJ01967
+RECORD_TITLE: Carvedilol; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 40 V; [M-H]-
+DATE: 2023.03.28
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230328-6.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Carvedilol
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C24H26N2O4
+CH$EXACT_MASS: 406.18925
+CH$SMILES: COC1=CC=CC=C1OCCNCC(COC2=CC=CC3=C2C4=CC=CC=C4N3)O
+CH$IUPAC: InChI=1S/C24H26N2O4/c1-28-21-10-4-5-11-22(21)29-14-13-25-15-17(27)16-30-23-12-6-9-20-24(23)18-7-2-3-8-19(18)26-20/h2-12,17,25-27H,13-16H2,1H3
+CH$LINK: CAS 72956-09-3
+CH$LINK: CHEMSPIDER 2487
+CH$LINK: INCHIKEY OGHNVEJMJSYVRP-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:2585
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.274 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 405.181973
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+PK$SPLASH: splash10-001i-0900000000-dbba7b21484424497a6f
+PK$NUM_PEAK: 5
+PK$PEAK: m/z int. rel.int.
+  153.0 13281 22
+  181.0 596250 999
+  182.1 13273 22
+  195.9 8603 14
+  224.1 7644 13
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01968.txt b/MSSJ/MSBNK-MSSJ-MSJ01968.txt
new file mode 100644
index 00000000000..735ccc96caa
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01968.txt
@@ -0,0 +1,42 @@
+ACCESSION: MSBNK-MSSJ-MSJ01968
+RECORD_TITLE: Carvedilol; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 50 V; [M-H]-
+DATE: 2023.03.28
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230328-6.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Carvedilol
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C24H26N2O4
+CH$EXACT_MASS: 406.18925
+CH$SMILES: COC1=CC=CC=C1OCCNCC(COC2=CC=CC3=C2C4=CC=CC=C4N3)O
+CH$IUPAC: InChI=1S/C24H26N2O4/c1-28-21-10-4-5-11-22(21)29-14-13-25-15-17(27)16-30-23-12-6-9-20-24(23)18-7-2-3-8-19(18)26-20/h2-12,17,25-27H,13-16H2,1H3
+CH$LINK: CAS 72956-09-3
+CH$LINK: CHEMSPIDER 2487
+CH$LINK: INCHIKEY OGHNVEJMJSYVRP-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:2585
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.274 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 405.181973
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+PK$SPLASH: splash10-001i-0900000000-e5f55442819bc485ea20
+PK$NUM_PEAK: 5
+PK$PEAK: m/z int. rel.int.
+  108.1 3729 10
+  153.0 22704 63
+  181.0 357994 999
+  182.0 10806 30
+  194.0 5278 15
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01969.txt b/MSSJ/MSBNK-MSSJ-MSJ01969.txt
new file mode 100644
index 00000000000..d69a3fd1f14
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01969.txt
@@ -0,0 +1,37 @@
+ACCESSION: MSBNK-MSSJ-MSJ01969
+RECORD_TITLE: Quetiapine; LC-ESI-QQ; MS; ESI; POSITIVE
+DATE: 2023.03.28
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230328-6.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Quetiapine
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C21H25N3O2S
+CH$EXACT_MASS: 383.166736
+CH$SMILES: C1CN(CCN1CCOCCO)C2=NC3=CC=CC=C3SC4=CC=CC=C42
+CH$IUPAC: InChI=1S/C21H25N3O2S/c25-14-16-26-15-13-23-9-11-24(12-10-23)21-17-5-1-3-7-19(17)27-20-8-4-2-6-18(20)22-21/h1-8,25H,9-16H2
+CH$LINK: CAS 111974-69-7
+CH$LINK: CHEMSPIDER 4827
+CH$LINK: INCHIKEY URKOMYMAXPYINW-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:5002
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.705 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+PK$SPLASH: splash10-001i-0009000000-17d57411388da11ea798
+PK$NUM_PEAK: 4
+PK$PEAK: m/z int. rel.int.
+  384.3 6444326 999
+  385.3 1422844 221
+  386.3 534263 83
+  387.3 102631 16
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01970.txt b/MSSJ/MSBNK-MSSJ-MSJ01970.txt
new file mode 100644
index 00000000000..3e19a4463b4
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01970.txt
@@ -0,0 +1,39 @@
+ACCESSION: MSBNK-MSSJ-MSJ01970
+RECORD_TITLE: Quetiapine; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 10 V; [M+H]+
+DATE: 2023.03.28
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230328-6.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Quetiapine
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C21H25N3O2S
+CH$EXACT_MASS: 383.166736
+CH$SMILES: C1CN(CCN1CCOCCO)C2=NC3=CC=CC=C3SC4=CC=CC=C42
+CH$IUPAC: InChI=1S/C21H25N3O2S/c25-14-16-26-15-13-23-9-11-24(12-10-23)21-17-5-1-3-7-19(17)27-20-8-4-2-6-18(20)22-21/h1-8,25H,9-16H2
+CH$LINK: CAS 111974-69-7
+CH$LINK: CHEMSPIDER 4827
+CH$LINK: INCHIKEY URKOMYMAXPYINW-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:5002
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.705 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 384.174013
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-001i-0009000000-6f780d3774b85b87141a
+PK$NUM_PEAK: 2
+PK$PEAK: m/z int. rel.int.
+  253.2 193878 58
+  384.3 3363256 999
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01971.txt b/MSSJ/MSBNK-MSSJ-MSJ01971.txt
new file mode 100644
index 00000000000..7579c720260
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01971.txt
@@ -0,0 +1,43 @@
+ACCESSION: MSBNK-MSSJ-MSJ01971
+RECORD_TITLE: Quetiapine; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 20 V; [M+H]+
+DATE: 2023.03.28
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230328-6.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Quetiapine
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C21H25N3O2S
+CH$EXACT_MASS: 383.166736
+CH$SMILES: C1CN(CCN1CCOCCO)C2=NC3=CC=CC=C3SC4=CC=CC=C42
+CH$IUPAC: InChI=1S/C21H25N3O2S/c25-14-16-26-15-13-23-9-11-24(12-10-23)21-17-5-1-3-7-19(17)27-20-8-4-2-6-18(20)22-21/h1-8,25H,9-16H2
+CH$LINK: CAS 111974-69-7
+CH$LINK: CHEMSPIDER 4827
+CH$LINK: INCHIKEY URKOMYMAXPYINW-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:5002
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.705 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 384.174013
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-0ue9-0094000000-f60e21f533cc8795fbcc
+PK$NUM_PEAK: 6
+PK$PEAK: m/z int. rel.int.
+  158.2 212915 118
+  210.2 26579 15
+  221.2 96417 53
+  253.2 1802979 999
+  279.2 243198 135
+  384.3 1071758 594
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01972.txt b/MSSJ/MSBNK-MSSJ-MSJ01972.txt
new file mode 100644
index 00000000000..000ccb5fc60
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01972.txt
@@ -0,0 +1,49 @@
+ACCESSION: MSBNK-MSSJ-MSJ01972
+RECORD_TITLE: Quetiapine; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 30 V; [M+H]+
+DATE: 2023.03.28
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230328-6.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Quetiapine
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C21H25N3O2S
+CH$EXACT_MASS: 383.166736
+CH$SMILES: C1CN(CCN1CCOCCO)C2=NC3=CC=CC=C3SC4=CC=CC=C42
+CH$IUPAC: InChI=1S/C21H25N3O2S/c25-14-16-26-15-13-23-9-11-24(12-10-23)21-17-5-1-3-7-19(17)27-20-8-4-2-6-18(20)22-21/h1-8,25H,9-16H2
+CH$LINK: CAS 111974-69-7
+CH$LINK: CHEMSPIDER 4827
+CH$LINK: INCHIKEY URKOMYMAXPYINW-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:5002
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.705 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 384.174013
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-0udi-0090000000-4b07632bc3d649b63455
+PK$NUM_PEAK: 12
+PK$PEAK: m/z int. rel.int.
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+  70.4 24811 17
+  89.2 14528 10
+  96.2 20941 15
+  132.2 15059 11
+  158.2 158015 110
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+  221.2 560039 391
+  247.3 88627 62
+  253.2 1432023 999
+  279.2 268974 188
+  384.2 26640 19
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01973.txt b/MSSJ/MSBNK-MSSJ-MSJ01973.txt
new file mode 100644
index 00000000000..cc404c030c2
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01973.txt
@@ -0,0 +1,54 @@
+ACCESSION: MSBNK-MSSJ-MSJ01973
+RECORD_TITLE: Quetiapine; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 40 V; [M+H]+
+DATE: 2023.03.28
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230328-6.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Quetiapine
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C21H25N3O2S
+CH$EXACT_MASS: 383.166736
+CH$SMILES: C1CN(CCN1CCOCCO)C2=NC3=CC=CC=C3SC4=CC=CC=C42
+CH$IUPAC: InChI=1S/C21H25N3O2S/c25-14-16-26-15-13-23-9-11-24(12-10-23)21-17-5-1-3-7-19(17)27-20-8-4-2-6-18(20)22-21/h1-8,25H,9-16H2
+CH$LINK: CAS 111974-69-7
+CH$LINK: CHEMSPIDER 4827
+CH$LINK: INCHIKEY URKOMYMAXPYINW-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:5002
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.705 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 384.174013
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-0fk9-0090000000-c2c424db50a4731beee0
+PK$NUM_PEAK: 17
+PK$PEAK: m/z int. rel.int.
+  45.4 26225 35
+  70.3 46945 63
+  88.3 8876 12
+  89.2 10854 15
+  96.3 20780 28
+  158.2 30629 41
+  177.2 12585 17
+  178.2 29662 40
+  183.2 35332 47
+  204.2 7928 11
+  210.1 307002 412
+  219.2 24106 32
+  221.2 744611 999
+  236.1 8993 12
+  247.2 199065 267
+  253.2 380779 511
+  279.2 74561 100
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01974.txt b/MSSJ/MSBNK-MSSJ-MSJ01974.txt
new file mode 100644
index 00000000000..50a7590eb9e
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01974.txt
@@ -0,0 +1,78 @@
+ACCESSION: MSBNK-MSSJ-MSJ01974
+RECORD_TITLE: Quetiapine; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 50 V; [M+H]+
+DATE: 2023.03.28
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230328-6.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Quetiapine
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C21H25N3O2S
+CH$EXACT_MASS: 383.166736
+CH$SMILES: C1CN(CCN1CCOCCO)C2=NC3=CC=CC=C3SC4=CC=CC=C42
+CH$IUPAC: InChI=1S/C21H25N3O2S/c25-14-16-26-15-13-23-9-11-24(12-10-23)21-17-5-1-3-7-19(17)27-20-8-4-2-6-18(20)22-21/h1-8,25H,9-16H2
+CH$LINK: CAS 111974-69-7
+CH$LINK: CHEMSPIDER 4827
+CH$LINK: INCHIKEY URKOMYMAXPYINW-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:5002
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.705 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 384.174013
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-0229-1390000000-1b87c146448bba4c8394
+PK$NUM_PEAK: 41
+PK$PEAK: m/z int. rel.int.
+  41.3 8258 19
+  42.3 16260 37
+  44.3 5208 12
+  45.3 41776 96
+  54.2 4820 11
+  68.3 6646 15
+  70.3 58962 135
+  88.3 5351 12
+  96.3 6867 16
+  117.3 4900 11
+  118.3 5759 13
+  139.2 40544 93
+  151.2 12599 29
+  158.1 4418 10
+  164.3 8842 20
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+  177.1 58832 135
+  178.2 146256 334
+  180.3 7520 17
+  183.1 131462 301
+  184.1 12534 29
+  192.3 7006 16
+  193.1 4427 10
+  194.1 17638 40
+  204.2 17432 40
+  205.2 9544 22
+  206.1 8697 20
+  209.1 112738 258
+  210.1 253369 579
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+  219.3 29766 68
+  221.2 436864 999
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+  232.3 20125 46
+  245.2 7213 16
+  247.2 136539 312
+  251.1 10382 24
+  253.2 48800 112
+  263.2 6753 15
+  277.2 4408 10
+  279.1 10299 24
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01975.txt b/MSSJ/MSBNK-MSSJ-MSJ01975.txt
new file mode 100644
index 00000000000..02979a54086
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01975.txt
@@ -0,0 +1,136 @@
+ACCESSION: MSBNK-MSSJ-MSJ01975
+RECORD_TITLE: Quetiapine; LC-ESI-QQ; MS; ESI; NEGATIVE
+DATE: 2023.03.28
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230328-6.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Quetiapine
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C21H25N3O2S
+CH$EXACT_MASS: 383.166736
+CH$SMILES: C1CN(CCN1CCOCCO)C2=NC3=CC=CC=C3SC4=CC=CC=C42
+CH$IUPAC: InChI=1S/C21H25N3O2S/c25-14-16-26-15-13-23-9-11-24(12-10-23)21-17-5-1-3-7-19(17)27-20-8-4-2-6-18(20)22-21/h1-8,25H,9-16H2
+CH$LINK: CAS 111974-69-7
+CH$LINK: CHEMSPIDER 4827
+CH$LINK: INCHIKEY URKOMYMAXPYINW-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:5002
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.705 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+PK$SPLASH: splash10-001i-0439500000-9bad38da1c3a11d24306
+PK$NUM_PEAK: 103
+PK$PEAK: m/z int. rel.int.
+  101.0 28390 45
+  103.1 9163 15
+  104.0 9614 15
+  109.1 6681 11
+  111.0 7723 12
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+  444.1 17651 28
+  459.5 6503 10
+  462.2 7598 12
+  469.2 6512 10
+  472.3 18739 30
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01976.txt b/MSSJ/MSBNK-MSSJ-MSJ01976.txt
new file mode 100644
index 00000000000..af13cc5f990
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01976.txt
@@ -0,0 +1,39 @@
+ACCESSION: MSBNK-MSSJ-MSJ01976
+RECORD_TITLE: Quetiapine; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 10 V; [M-H]-
+DATE: 2023.03.28
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230328-6.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Quetiapine
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C21H25N3O2S
+CH$EXACT_MASS: 383.166736
+CH$SMILES: C1CN(CCN1CCOCCO)C2=NC3=CC=CC=C3SC4=CC=CC=C42
+CH$IUPAC: InChI=1S/C21H25N3O2S/c25-14-16-26-15-13-23-9-11-24(12-10-23)21-17-5-1-3-7-19(17)27-20-8-4-2-6-18(20)22-21/h1-8,25H,9-16H2
+CH$LINK: CAS 111974-69-7
+CH$LINK: CHEMSPIDER 4827
+CH$LINK: INCHIKEY URKOMYMAXPYINW-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:5002
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.705 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 382.159459
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+PK$SPLASH: splash10-001i-0009000000-4162e726d993ac51fa2f
+PK$NUM_PEAK: 2
+PK$PEAK: m/z int. rel.int.
+  320.1 1731 19
+  382.2 92749 999
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01977.txt b/MSSJ/MSBNK-MSSJ-MSJ01977.txt
new file mode 100644
index 00000000000..7ca33cee0ae
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01977.txt
@@ -0,0 +1,49 @@
+ACCESSION: MSBNK-MSSJ-MSJ01977
+RECORD_TITLE: Quetiapine; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 20 V; [M-H]-
+DATE: 2023.03.28
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230328-6.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Quetiapine
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C21H25N3O2S
+CH$EXACT_MASS: 383.166736
+CH$SMILES: C1CN(CCN1CCOCCO)C2=NC3=CC=CC=C3SC4=CC=CC=C42
+CH$IUPAC: InChI=1S/C21H25N3O2S/c25-14-16-26-15-13-23-9-11-24(12-10-23)21-17-5-1-3-7-19(17)27-20-8-4-2-6-18(20)22-21/h1-8,25H,9-16H2
+CH$LINK: CAS 111974-69-7
+CH$LINK: CHEMSPIDER 4827
+CH$LINK: INCHIKEY URKOMYMAXPYINW-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:5002
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.705 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 382.159459
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+PK$SPLASH: splash10-001i-2049000000-a7fb1eeab00bf239153c
+PK$NUM_PEAK: 12
+PK$PEAK: m/z int. rel.int.
+  59.1 2653 116
+  61.1 1138 50
+  68.2 2724 119
+  223.9 807 35
+  224.8 403 18
+  225.8 301 13
+  236.4 604 26
+  237.9 807 35
+  251.1 9624 422
+  288.2 807 35
+  320.1 1599 70
+  382.2 22807 999
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01978.txt b/MSSJ/MSBNK-MSSJ-MSJ01978.txt
new file mode 100644
index 00000000000..4643dae8432
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01978.txt
@@ -0,0 +1,58 @@
+ACCESSION: MSBNK-MSSJ-MSJ01978
+RECORD_TITLE: Quetiapine; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 30 V; [M-H]-
+DATE: 2023.03.28
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230328-6.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Quetiapine
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C21H25N3O2S
+CH$EXACT_MASS: 383.166736
+CH$SMILES: C1CN(CCN1CCOCCO)C2=NC3=CC=CC=C3SC4=CC=CC=C42
+CH$IUPAC: InChI=1S/C21H25N3O2S/c25-14-16-26-15-13-23-9-11-24(12-10-23)21-17-5-1-3-7-19(17)27-20-8-4-2-6-18(20)22-21/h1-8,25H,9-16H2
+CH$LINK: CAS 111974-69-7
+CH$LINK: CHEMSPIDER 4827
+CH$LINK: INCHIKEY URKOMYMAXPYINW-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:5002
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.705 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 382.159459
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+PK$SPLASH: splash10-0rk9-8191000000-8de16dadf7603d5e7ed8
+PK$NUM_PEAK: 21
+PK$PEAK: m/z int. rel.int.
+  56.1 1616 243
+  59.2 4079 613
+  61.1 4202 631
+  68.1 3413 513
+  118.1 805 121
+  133.4 403 61
+  149.3 403 61
+  160.0 807 121
+  163.2 403 61
+  209.7 1659 249
+  219.9 1616 243
+  223.8 403 61
+  225.6 802 120
+  226.2 802 120
+  233.9 403 61
+  235.1 807 121
+  236.2 403 61
+  237.4 403 61
+  248.3 807 121
+  251.1 6649 999
+  382.2 1717 258
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01979.txt b/MSSJ/MSBNK-MSSJ-MSJ01979.txt
new file mode 100644
index 00000000000..490e2cd6cbc
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01979.txt
@@ -0,0 +1,50 @@
+ACCESSION: MSBNK-MSSJ-MSJ01979
+RECORD_TITLE: Quetiapine; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 40 V; [M-H]-
+DATE: 2023.03.28
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230328-6.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Quetiapine
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C21H25N3O2S
+CH$EXACT_MASS: 383.166736
+CH$SMILES: C1CN(CCN1CCOCCO)C2=NC3=CC=CC=C3SC4=CC=CC=C42
+CH$IUPAC: InChI=1S/C21H25N3O2S/c25-14-16-26-15-13-23-9-11-24(12-10-23)21-17-5-1-3-7-19(17)27-20-8-4-2-6-18(20)22-21/h1-8,25H,9-16H2
+CH$LINK: CAS 111974-69-7
+CH$LINK: CHEMSPIDER 4827
+CH$LINK: INCHIKEY URKOMYMAXPYINW-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:5002
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.705 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 382.159459
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+PK$SPLASH: splash10-0ck9-9350000000-0f5b2686247547c7fc1f
+PK$NUM_PEAK: 13
+PK$PEAK: m/z int. rel.int.
+  59.1 2817 999
+  61.1 2414 856
+  68.0 1732 614
+  118.2 770 273
+  175.0 403 143
+  175.8 403 143
+  186.1 807 286
+  209.9 403 143
+  223.5 403 143
+  224.2 807 286
+  224.9 1613 572
+  225.7 597 212
+  247.9 807 286
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01980.txt b/MSSJ/MSBNK-MSSJ-MSJ01980.txt
new file mode 100644
index 00000000000..38aa5bc0f73
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01980.txt
@@ -0,0 +1,50 @@
+ACCESSION: MSBNK-MSSJ-MSJ01980
+RECORD_TITLE: Quetiapine; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 50 V; [M-H]-
+DATE: 2023.03.28
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230328-6.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Quetiapine
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C21H25N3O2S
+CH$EXACT_MASS: 383.166736
+CH$SMILES: C1CN(CCN1CCOCCO)C2=NC3=CC=CC=C3SC4=CC=CC=C42
+CH$IUPAC: InChI=1S/C21H25N3O2S/c25-14-16-26-15-13-23-9-11-24(12-10-23)21-17-5-1-3-7-19(17)27-20-8-4-2-6-18(20)22-21/h1-8,25H,9-16H2
+CH$LINK: CAS 111974-69-7
+CH$LINK: CHEMSPIDER 4827
+CH$LINK: INCHIKEY URKOMYMAXPYINW-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:5002
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.705 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 382.159459
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+PK$SPLASH: splash10-01b9-9770000000-ba04ec9bac2904124c93
+PK$NUM_PEAK: 13
+PK$PEAK: m/z int. rel.int.
+  58.9 726 299
+  60.9 403 166
+  68.0 2426 999
+  93.2 403 166
+  118.0 628 259
+  123.8 603 248
+  134.0 403 166
+  148.1 807 332
+  150.1 807 332
+  223.1 403 166
+  224.8 1471 606
+  235.2 807 332
+  248.0 403 166
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01981.txt b/MSSJ/MSBNK-MSSJ-MSJ01981.txt
new file mode 100644
index 00000000000..ec1222f638d
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01981.txt
@@ -0,0 +1,42 @@
+ACCESSION: MSBNK-MSSJ-MSJ01981
+RECORD_TITLE: Clemastine; LC-ESI-QQ; MS; ESI; POSITIVE
+DATE: 2023.03.28
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230405-1.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Clemastine
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C21H26ClNO
+CH$EXACT_MASS: 343.170288
+CH$SMILES: C[C@@](C1=CC=CC=C1)(C2=CC=C(C=C2)Cl)OCC[C@H]3CCCN3C
+CH$IUPAC: InChI=1S/C21H26ClNO/c1-21(17-7-4-3-5-8-17,18-10-12-19(22)13-11-18)24-16-14-20-9-6-15-23(20)2/h3-5,7-8,10-13,20H,6,9,14-16H2,1-2H3/t20-,21-/m1/s1
+CH$LINK: CAS 15686-51-8
+CH$LINK: CHEMSPIDER 25129
+CH$LINK: INCHIKEY YNNUSGIPVFPVBX-NHCUHLMSSA-N
+CH$LINK: PUBCHEM CID:26987
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.361 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+PK$SPLASH: splash10-0007-0009000000-883421b0f7f0a93a7a6b
+PK$NUM_PEAK: 9
+PK$PEAK: m/z int. rel.int.
+  130.2 115979 47
+  165.2 26238 11
+  215.1 137902 56
+  217.1 76188 31
+  223.1 54004 22
+  344.3 2469826 999
+  345.3 645104 261
+  346.3 611298 247
+  347.3 178279 72
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01982.txt b/MSSJ/MSBNK-MSSJ-MSJ01982.txt
new file mode 100644
index 00000000000..676a0f78359
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01982.txt
@@ -0,0 +1,40 @@
+ACCESSION: MSBNK-MSSJ-MSJ01982
+RECORD_TITLE: Clemastine; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 10 V; [M+H]+
+DATE: 2023.03.28
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230405-1.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Clemastine
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C21H26ClNO
+CH$EXACT_MASS: 343.170288
+CH$SMILES: C[C@@](C1=CC=CC=C1)(C2=CC=C(C=C2)Cl)OCC[C@H]3CCCN3C
+CH$IUPAC: InChI=1S/C21H26ClNO/c1-21(17-7-4-3-5-8-17,18-10-12-19(22)13-11-18)24-16-14-20-9-6-15-23(20)2/h3-5,7-8,10-13,20H,6,9,14-16H2,1-2H3/t20-,21-/m1/s1
+CH$LINK: CAS 15686-51-8
+CH$LINK: CHEMSPIDER 25129
+CH$LINK: INCHIKEY YNNUSGIPVFPVBX-NHCUHLMSSA-N
+CH$LINK: PUBCHEM CID:26987
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.361 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 344.177565
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-00l6-0689000000-0c5f5885cd1b9d5d93ff
+PK$NUM_PEAK: 3
+PK$PEAK: m/z int. rel.int.
+  130.2 860422 756
+  215.1 1066280 937
+  344.3 1137139 999
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01983.txt b/MSSJ/MSBNK-MSSJ-MSJ01983.txt
new file mode 100644
index 00000000000..079857e1b86
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01983.txt
@@ -0,0 +1,42 @@
+ACCESSION: MSBNK-MSSJ-MSJ01983
+RECORD_TITLE: Clemastine; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 20 V; [M+H]+
+DATE: 2023.03.28
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230405-1.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Clemastine
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C21H26ClNO
+CH$EXACT_MASS: 343.170288
+CH$SMILES: C[C@@](C1=CC=CC=C1)(C2=CC=C(C=C2)Cl)OCC[C@H]3CCCN3C
+CH$IUPAC: InChI=1S/C21H26ClNO/c1-21(17-7-4-3-5-8-17,18-10-12-19(22)13-11-18)24-16-14-20-9-6-15-23(20)2/h3-5,7-8,10-13,20H,6,9,14-16H2,1-2H3/t20-,21-/m1/s1
+CH$LINK: CAS 15686-51-8
+CH$LINK: CHEMSPIDER 25129
+CH$LINK: INCHIKEY YNNUSGIPVFPVBX-NHCUHLMSSA-N
+CH$LINK: PUBCHEM CID:26987
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.361 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 344.177565
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-014i-0290000000-7131285f61fb8e172221
+PK$NUM_PEAK: 5
+PK$PEAK: m/z int. rel.int.
+  130.2 451422 203
+  137.2 38391 17
+  179.2 42186 19
+  180.2 58193 26
+  215.1 2222673 999
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01984.txt b/MSSJ/MSBNK-MSSJ-MSJ01984.txt
new file mode 100644
index 00000000000..a3220209a49
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01984.txt
@@ -0,0 +1,50 @@
+ACCESSION: MSBNK-MSSJ-MSJ01984
+RECORD_TITLE: Clemastine; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 30 V; [M+H]+
+DATE: 2023.03.28
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230405-1.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Clemastine
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C21H26ClNO
+CH$EXACT_MASS: 343.170288
+CH$SMILES: C[C@@](C1=CC=CC=C1)(C2=CC=C(C=C2)Cl)OCC[C@H]3CCCN3C
+CH$IUPAC: InChI=1S/C21H26ClNO/c1-21(17-7-4-3-5-8-17,18-10-12-19(22)13-11-18)24-16-14-20-9-6-15-23(20)2/h3-5,7-8,10-13,20H,6,9,14-16H2,1-2H3/t20-,21-/m1/s1
+CH$LINK: CAS 15686-51-8
+CH$LINK: CHEMSPIDER 25129
+CH$LINK: INCHIKEY YNNUSGIPVFPVBX-NHCUHLMSSA-N
+CH$LINK: PUBCHEM CID:26987
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.361 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 344.177565
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-0159-0940000000-804b3830d25ffa46ac61
+PK$NUM_PEAK: 13
+PK$PEAK: m/z int. rel.int.
+  81.3 7258 11
+  84.3 10810 16
+  102.1 9299 14
+  103.2 131978 201
+  112.3 8729 13
+  130.2 255809 389
+  137.1 281091 428
+  165.2 72802 111
+  178.2 36693 56
+  179.2 243698 371
+  180.2 382224 581
+  200.1 7369 11
+  215.1 656662 999
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01985.txt b/MSSJ/MSBNK-MSSJ-MSJ01985.txt
new file mode 100644
index 00000000000..a93f067b902
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01985.txt
@@ -0,0 +1,56 @@
+ACCESSION: MSBNK-MSSJ-MSJ01985
+RECORD_TITLE: Clemastine; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 40 V; [M+H]+
+DATE: 2023.03.28
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230405-1.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Clemastine
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C21H26ClNO
+CH$EXACT_MASS: 343.170288
+CH$SMILES: C[C@@](C1=CC=CC=C1)(C2=CC=C(C=C2)Cl)OCC[C@H]3CCCN3C
+CH$IUPAC: InChI=1S/C21H26ClNO/c1-21(17-7-4-3-5-8-17,18-10-12-19(22)13-11-18)24-16-14-20-9-6-15-23(20)2/h3-5,7-8,10-13,20H,6,9,14-16H2,1-2H3/t20-,21-/m1/s1
+CH$LINK: CAS 15686-51-8
+CH$LINK: CHEMSPIDER 25129
+CH$LINK: INCHIKEY YNNUSGIPVFPVBX-NHCUHLMSSA-N
+CH$LINK: PUBCHEM CID:26987
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.361 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 344.177565
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-0fui-0900000000-d62d2b2008c5f7c47f51
+PK$NUM_PEAK: 19
+PK$PEAK: m/z int. rel.int.
+  44.3 12713 39
+  77.2 17399 53
+  81.3 23341 71
+  84.3 12747 39
+  101.2 24932 76
+  102.2 53030 161
+  103.2 225879 684
+  112.2 9001 27
+  130.2 67715 205
+  137.1 329854 999
+  165.1 222764 675
+  176.7 3732 11
+  178.2 91604 277
+  179.2 212681 644
+  180.2 260999 790
+  199.1 4902 15
+  200.2 7438 23
+  213.2 3441 10
+  215.1 103319 313
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01986.txt b/MSSJ/MSBNK-MSSJ-MSJ01986.txt
new file mode 100644
index 00000000000..b49a9ea791d
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01986.txt
@@ -0,0 +1,57 @@
+ACCESSION: MSBNK-MSSJ-MSJ01986
+RECORD_TITLE: Clemastine; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 50 V; [M+H]+
+DATE: 2023.03.28
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230405-1.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Clemastine
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C21H26ClNO
+CH$EXACT_MASS: 343.170288
+CH$SMILES: C[C@@](C1=CC=CC=C1)(C2=CC=C(C=C2)Cl)OCC[C@H]3CCCN3C
+CH$IUPAC: InChI=1S/C21H26ClNO/c1-21(17-7-4-3-5-8-17,18-10-12-19(22)13-11-18)24-16-14-20-9-6-15-23(20)2/h3-5,7-8,10-13,20H,6,9,14-16H2,1-2H3/t20-,21-/m1/s1
+CH$LINK: CAS 15686-51-8
+CH$LINK: CHEMSPIDER 25129
+CH$LINK: INCHIKEY YNNUSGIPVFPVBX-NHCUHLMSSA-N
+CH$LINK: PUBCHEM CID:26987
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.361 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 344.177565
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-0v09-0900000000-474ff213f5766d0fe528
+PK$NUM_PEAK: 20
+PK$PEAK: m/z int. rel.int.
+  44.3 20618 66
+  55.3 4564 15
+  58.2 5258 17
+  70.2 3266 10
+  75.2 4235 14
+  77.3 38005 121
+  79.3 8636 28
+  81.3 10771 34
+  84.4 6206 20
+  101.2 105933 339
+  102.2 94857 303
+  103.2 247203 790
+  130.3 19431 62
+  137.1 224732 718
+  165.1 312543 999
+  178.1 139253 445
+  179.1 139903 447
+  180.1 106711 341
+  200.0 5163 17
+  215.0 17188 55
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01987.txt b/MSSJ/MSBNK-MSSJ-MSJ01987.txt
new file mode 100644
index 00000000000..ad1125bbbba
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01987.txt
@@ -0,0 +1,40 @@
+ACCESSION: MSBNK-MSSJ-MSJ01987
+RECORD_TITLE: Clocapramine; LC-ESI-QQ; MS; ESI; POSITIVE
+DATE: 2023.03.28
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230405-1.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Clocapramine
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C28H37ClN4O
+CH$EXACT_MASS: 480.265573
+CH$SMILES: C1CCN(CC1)C2(CCN(CC2)CCCN3C4=CC=CC=C4CCC5=C3C=C(C=C5)Cl)C(=O)N
+CH$IUPAC: InChI=1S/C28H37ClN4O/c29-24-12-11-23-10-9-22-7-2-3-8-25(22)33(26(23)21-24)18-6-15-31-19-13-28(14-20-31,27(30)34)32-16-4-1-5-17-32/h2-3,7-8,11-12,21H,1,4-6,9-10,13-20H2,(H2,30,34)
+CH$LINK: CAS 47739-98-0
+CH$LINK: CHEMSPIDER 2691
+CH$LINK: INCHIKEY QAZKXHSIKKNOHH-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:2793
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.380 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+PK$SPLASH: splash10-001i-0000900000-bde0a9addf2729abbbf1
+PK$NUM_PEAK: 7
+PK$PEAK: m/z int. rel.int.
+  416.4 23736 12
+  481.4 2025251 999
+  482.4 695555 343
+  483.4 791856 391
+  484.4 210549 104
+  485.3 27639 14
+  497.4 49448 24
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01988.txt b/MSSJ/MSBNK-MSSJ-MSJ01988.txt
new file mode 100644
index 00000000000..00eb9f76822
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01988.txt
@@ -0,0 +1,39 @@
+ACCESSION: MSBNK-MSSJ-MSJ01988
+RECORD_TITLE: Clocapramine; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 10 V; [M+H]+
+DATE: 2023.03.28
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230405-1.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Clocapramine
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C28H37ClN4O
+CH$EXACT_MASS: 480.265573
+CH$SMILES: C1CCN(CC1)C2(CCN(CC2)CCCN3C4=CC=CC=C4CCC5=C3C=C(C=C5)Cl)C(=O)N
+CH$IUPAC: InChI=1S/C28H37ClN4O/c29-24-12-11-23-10-9-22-7-2-3-8-25(22)33(26(23)21-24)18-6-15-31-19-13-28(14-20-31,27(30)34)32-16-4-1-5-17-32/h2-3,7-8,11-12,21H,1,4-6,9-10,13-20H2,(H2,30,34)
+CH$LINK: CAS 47739-98-0
+CH$LINK: CHEMSPIDER 2691
+CH$LINK: INCHIKEY QAZKXHSIKKNOHH-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:2793
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.380 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 481.27285
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-001i-0000900000-13ffb1157766c667efe3
+PK$NUM_PEAK: 2
+PK$PEAK: m/z int. rel.int.
+  141.3 29026 20
+  481.4 1486004 999
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01989.txt b/MSSJ/MSBNK-MSSJ-MSJ01989.txt
new file mode 100644
index 00000000000..979b24d1eb5
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01989.txt
@@ -0,0 +1,43 @@
+ACCESSION: MSBNK-MSSJ-MSJ01989
+RECORD_TITLE: Clocapramine; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 20 V; [M+H]+
+DATE: 2023.03.28
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230405-1.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Clocapramine
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C28H37ClN4O
+CH$EXACT_MASS: 480.265573
+CH$SMILES: C1CCN(CC1)C2(CCN(CC2)CCCN3C4=CC=CC=C4CCC5=C3C=C(C=C5)Cl)C(=O)N
+CH$IUPAC: InChI=1S/C28H37ClN4O/c29-24-12-11-23-10-9-22-7-2-3-8-25(22)33(26(23)21-24)18-6-15-31-19-13-28(14-20-31,27(30)34)32-16-4-1-5-17-32/h2-3,7-8,11-12,21H,1,4-6,9-10,13-20H2,(H2,30,34)
+CH$LINK: CAS 47739-98-0
+CH$LINK: CHEMSPIDER 2691
+CH$LINK: INCHIKEY QAZKXHSIKKNOHH-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:2793
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.380 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 481.27285
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-001l-0400900000-f656411979b51f7fd41a
+PK$NUM_PEAK: 6
+PK$PEAK: m/z int. rel.int.
+  98.3 53268 84
+  112.2 12091 19
+  141.2 338050 536
+  252.3 19554 31
+  436.4 25486 40
+  481.4 630217 999
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01990.txt b/MSSJ/MSBNK-MSSJ-MSJ01990.txt
new file mode 100644
index 00000000000..d51957712f7
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01990.txt
@@ -0,0 +1,45 @@
+ACCESSION: MSBNK-MSSJ-MSJ01990
+RECORD_TITLE: Clocapramine; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 30 V; [M+H]+
+DATE: 2023.03.28
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230405-1.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Clocapramine
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C28H37ClN4O
+CH$EXACT_MASS: 480.265573
+CH$SMILES: C1CCN(CC1)C2(CCN(CC2)CCCN3C4=CC=CC=C4CCC5=C3C=C(C=C5)Cl)C(=O)N
+CH$IUPAC: InChI=1S/C28H37ClN4O/c29-24-12-11-23-10-9-22-7-2-3-8-25(22)33(26(23)21-24)18-6-15-31-19-13-28(14-20-31,27(30)34)32-16-4-1-5-17-32/h2-3,7-8,11-12,21H,1,4-6,9-10,13-20H2,(H2,30,34)
+CH$LINK: CAS 47739-98-0
+CH$LINK: CHEMSPIDER 2691
+CH$LINK: INCHIKEY QAZKXHSIKKNOHH-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:2793
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.380 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 481.27285
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-0007-6900000000-3f075910a220e7eb71fa
+PK$NUM_PEAK: 8
+PK$PEAK: m/z int. rel.int.
+  98.3 351307 870
+  112.2 67173 166
+  138.3 8684 21
+  141.2 403522 999
+  242.2 12050 30
+  252.3 14965 37
+  436.5 11562 29
+  481.4 35059 87
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01991.txt b/MSSJ/MSBNK-MSSJ-MSJ01991.txt
new file mode 100644
index 00000000000..c995963f0c8
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01991.txt
@@ -0,0 +1,44 @@
+ACCESSION: MSBNK-MSSJ-MSJ01991
+RECORD_TITLE: Clocapramine; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 40 V; [M+H]+
+DATE: 2023.03.28
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230405-1.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Clocapramine
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C28H37ClN4O
+CH$EXACT_MASS: 480.265573
+CH$SMILES: C1CCN(CC1)C2(CCN(CC2)CCCN3C4=CC=CC=C4CCC5=C3C=C(C=C5)Cl)C(=O)N
+CH$IUPAC: InChI=1S/C28H37ClN4O/c29-24-12-11-23-10-9-22-7-2-3-8-25(22)33(26(23)21-24)18-6-15-31-19-13-28(14-20-31,27(30)34)32-16-4-1-5-17-32/h2-3,7-8,11-12,21H,1,4-6,9-10,13-20H2,(H2,30,34)
+CH$LINK: CAS 47739-98-0
+CH$LINK: CHEMSPIDER 2691
+CH$LINK: INCHIKEY QAZKXHSIKKNOHH-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:2793
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.380 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 481.27285
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-0002-9200000000-08607bb0dfe7bf59e9bb
+PK$NUM_PEAK: 7
+PK$PEAK: m/z int. rel.int.
+  55.3 10002 15
+  98.3 647723 999
+  112.2 55637 86
+  138.3 12194 19
+  141.2 79788 123
+  252.3 11394 18
+  256.2 18181 28
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01992.txt b/MSSJ/MSBNK-MSSJ-MSJ01992.txt
new file mode 100644
index 00000000000..57fd807291a
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01992.txt
@@ -0,0 +1,47 @@
+ACCESSION: MSBNK-MSSJ-MSJ01992
+RECORD_TITLE: Clocapramine; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 50 V; [M+H]+
+DATE: 2023.03.28
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230405-1.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Clocapramine
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C28H37ClN4O
+CH$EXACT_MASS: 480.265573
+CH$SMILES: C1CCN(CC1)C2(CCN(CC2)CCCN3C4=CC=CC=C4CCC5=C3C=C(C=C5)Cl)C(=O)N
+CH$IUPAC: InChI=1S/C28H37ClN4O/c29-24-12-11-23-10-9-22-7-2-3-8-25(22)33(26(23)21-24)18-6-15-31-19-13-28(14-20-31,27(30)34)32-16-4-1-5-17-32/h2-3,7-8,11-12,21H,1,4-6,9-10,13-20H2,(H2,30,34)
+CH$LINK: CAS 47739-98-0
+CH$LINK: CHEMSPIDER 2691
+CH$LINK: INCHIKEY QAZKXHSIKKNOHH-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:2793
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.380 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 481.27285
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-0002-9000000000-68dd64943b0e80bf6491
+PK$NUM_PEAK: 10
+PK$PEAK: m/z int. rel.int.
+  44.3 14438 26
+  55.3 11862 21
+  70.3 11010 20
+  81.3 8709 16
+  98.3 551882 999
+  112.2 41621 75
+  138.3 8152 15
+  141.1 9739 18
+  242.1 7107 13
+  256.2 12331 22
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01993.txt b/MSSJ/MSBNK-MSSJ-MSJ01993.txt
new file mode 100644
index 00000000000..6fa9f1fa875
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01993.txt
@@ -0,0 +1,65 @@
+ACCESSION: MSBNK-MSSJ-MSJ01993
+RECORD_TITLE: Clocapramine; LC-ESI-QQ; MS; ESI; NEGATIVE
+DATE: 2023.03.28
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230405-1.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Clocapramine
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C28H37ClN4O
+CH$EXACT_MASS: 480.265573
+CH$SMILES: C1CCN(CC1)C2(CCN(CC2)CCCN3C4=CC=CC=C4CCC5=C3C=C(C=C5)Cl)C(=O)N
+CH$IUPAC: InChI=1S/C28H37ClN4O/c29-24-12-11-23-10-9-22-7-2-3-8-25(22)33(26(23)21-24)18-6-15-31-19-13-28(14-20-31,27(30)34)32-16-4-1-5-17-32/h2-3,7-8,11-12,21H,1,4-6,9-10,13-20H2,(H2,30,34)
+CH$LINK: CAS 47739-98-0
+CH$LINK: CHEMSPIDER 2691
+CH$LINK: INCHIKEY QAZKXHSIKKNOHH-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:2793
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.380 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+PK$SPLASH: splash10-0059-0110900000-12206f2acff8e22af658
+PK$NUM_PEAK: 32
+PK$PEAK: m/z int. rel.int.
+  101.0 24428 16
+  112.9 66840 43
+  115.0 18581 12
+  129.0 31092 20
+  130.0 15414 10
+  143.0 58588 38
+  157.0 108158 70
+  173.0 20645 13
+  187.0 23986 16
+  188.9 18694 12
+  193.1 18155 12
+  201.0 175442 114
+  226.1 83243 54
+  241.2 15841 10
+  242.1 29269 19
+  255.2 24785 16
+  269.2 24070 16
+  271.2 24074 16
+  272.2 22637 15
+  297.2 27613 18
+  313.3 21087 14
+  383.3 17782 12
+  394.2 52819 34
+  479.3 1537142 999
+  480.3 479305 312
+  481.3 562646 366
+  482.3 151133 98
+  483.3 24527 16
+  495.3 398386 259
+  496.3 127840 83
+  497.3 139313 91
+  498.3 44979 29
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01994.txt b/MSSJ/MSBNK-MSSJ-MSJ01994.txt
new file mode 100644
index 00000000000..06f6b649dba
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01994.txt
@@ -0,0 +1,38 @@
+ACCESSION: MSBNK-MSSJ-MSJ01994
+RECORD_TITLE: Clocapramine; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 10 V; [M-H]-
+DATE: 2023.03.28
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230405-1.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Clocapramine
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C28H37ClN4O
+CH$EXACT_MASS: 480.265573
+CH$SMILES: C1CCN(CC1)C2(CCN(CC2)CCCN3C4=CC=CC=C4CCC5=C3C=C(C=C5)Cl)C(=O)N
+CH$IUPAC: InChI=1S/C28H37ClN4O/c29-24-12-11-23-10-9-22-7-2-3-8-25(22)33(26(23)21-24)18-6-15-31-19-13-28(14-20-31,27(30)34)32-16-4-1-5-17-32/h2-3,7-8,11-12,21H,1,4-6,9-10,13-20H2,(H2,30,34)
+CH$LINK: CAS 47739-98-0
+CH$LINK: CHEMSPIDER 2691
+CH$LINK: INCHIKEY QAZKXHSIKKNOHH-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:2793
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.380 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 479.258296
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+PK$SPLASH: splash10-004i-0000900000-f3a939857c62115d36a7
+PK$NUM_PEAK: 1
+PK$PEAK: m/z int. rel.int.
+  479.3 193204 999
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01995.txt b/MSSJ/MSBNK-MSSJ-MSJ01995.txt
new file mode 100644
index 00000000000..3ecb5cb00d9
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01995.txt
@@ -0,0 +1,41 @@
+ACCESSION: MSBNK-MSSJ-MSJ01995
+RECORD_TITLE: Clocapramine; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 20 V; [M-H]-
+DATE: 2023.03.28
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230405-1.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Clocapramine
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C28H37ClN4O
+CH$EXACT_MASS: 480.265573
+CH$SMILES: C1CCN(CC1)C2(CCN(CC2)CCCN3C4=CC=CC=C4CCC5=C3C=C(C=C5)Cl)C(=O)N
+CH$IUPAC: InChI=1S/C28H37ClN4O/c29-24-12-11-23-10-9-22-7-2-3-8-25(22)33(26(23)21-24)18-6-15-31-19-13-28(14-20-31,27(30)34)32-16-4-1-5-17-32/h2-3,7-8,11-12,21H,1,4-6,9-10,13-20H2,(H2,30,34)
+CH$LINK: CAS 47739-98-0
+CH$LINK: CHEMSPIDER 2691
+CH$LINK: INCHIKEY QAZKXHSIKKNOHH-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:2793
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.380 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 479.258296
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+PK$SPLASH: splash10-004i-0010900000-c27c865866e5e3e289a0
+PK$NUM_PEAK: 4
+PK$PEAK: m/z int. rel.int.
+  35.1 1250 16
+  42.1 1615 21
+  228.1 9175 117
+  479.3 78217 999
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01996.txt b/MSSJ/MSBNK-MSSJ-MSJ01996.txt
new file mode 100644
index 00000000000..712335029d6
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01996.txt
@@ -0,0 +1,49 @@
+ACCESSION: MSBNK-MSSJ-MSJ01996
+RECORD_TITLE: Clocapramine; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 30 V; [M-H]-
+DATE: 2023.03.28
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230405-1.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Clocapramine
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C28H37ClN4O
+CH$EXACT_MASS: 480.265573
+CH$SMILES: C1CCN(CC1)C2(CCN(CC2)CCCN3C4=CC=CC=C4CCC5=C3C=C(C=C5)Cl)C(=O)N
+CH$IUPAC: InChI=1S/C28H37ClN4O/c29-24-12-11-23-10-9-22-7-2-3-8-25(22)33(26(23)21-24)18-6-15-31-19-13-28(14-20-31,27(30)34)32-16-4-1-5-17-32/h2-3,7-8,11-12,21H,1,4-6,9-10,13-20H2,(H2,30,34)
+CH$LINK: CAS 47739-98-0
+CH$LINK: CHEMSPIDER 2691
+CH$LINK: INCHIKEY QAZKXHSIKKNOHH-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:2793
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.380 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 479.258296
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+PK$SPLASH: splash10-004i-3090200000-e82e411ef833bfa28f07
+PK$NUM_PEAK: 12
+PK$PEAK: m/z int. rel.int.
+  35.3 1482 65
+  42.2 6418 281
+  84.2 703 31
+  121.2 351 15
+  209.8 703 31
+  226.4 703 31
+  228.0 22802 999
+  257.2 703 31
+  358.2 703 31
+  393.6 703 31
+  433.1 1407 62
+  479.2 5525 242
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01997.txt b/MSSJ/MSBNK-MSSJ-MSJ01997.txt
new file mode 100644
index 00000000000..de59dfa2388
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01997.txt
@@ -0,0 +1,41 @@
+ACCESSION: MSBNK-MSSJ-MSJ01997
+RECORD_TITLE: Clocapramine; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 40 V; [M-H]-
+DATE: 2023.03.28
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230405-1.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Clocapramine
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C28H37ClN4O
+CH$EXACT_MASS: 480.265573
+CH$SMILES: C1CCN(CC1)C2(CCN(CC2)CCCN3C4=CC=CC=C4CCC5=C3C=C(C=C5)Cl)C(=O)N
+CH$IUPAC: InChI=1S/C28H37ClN4O/c29-24-12-11-23-10-9-22-7-2-3-8-25(22)33(26(23)21-24)18-6-15-31-19-13-28(14-20-31,27(30)34)32-16-4-1-5-17-32/h2-3,7-8,11-12,21H,1,4-6,9-10,13-20H2,(H2,30,34)
+CH$LINK: CAS 47739-98-0
+CH$LINK: CHEMSPIDER 2691
+CH$LINK: INCHIKEY QAZKXHSIKKNOHH-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:2793
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.380 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 479.258296
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+PK$SPLASH: splash10-002f-9070000000-9cc38f8599a82bdea4c5
+PK$NUM_PEAK: 4
+PK$PEAK: m/z int. rel.int.
+  35.1 1363 193
+  42.3 7040 999
+  226.0 351 50
+  228.0 6907 980
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ01998.txt b/MSSJ/MSBNK-MSSJ-MSJ01998.txt
new file mode 100644
index 00000000000..612339d294d
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ01998.txt
@@ -0,0 +1,40 @@
+ACCESSION: MSBNK-MSSJ-MSJ01998
+RECORD_TITLE: Clocapramine; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 50 V; [M-H]-
+DATE: 2023.03.28
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230405-1.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Clocapramine
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C28H37ClN4O
+CH$EXACT_MASS: 480.265573
+CH$SMILES: C1CCN(CC1)C2(CCN(CC2)CCCN3C4=CC=CC=C4CCC5=C3C=C(C=C5)Cl)C(=O)N
+CH$IUPAC: InChI=1S/C28H37ClN4O/c29-24-12-11-23-10-9-22-7-2-3-8-25(22)33(26(23)21-24)18-6-15-31-19-13-28(14-20-31,27(30)34)32-16-4-1-5-17-32/h2-3,7-8,11-12,21H,1,4-6,9-10,13-20H2,(H2,30,34)
+CH$LINK: CAS 47739-98-0
+CH$LINK: CHEMSPIDER 2691
+CH$LINK: INCHIKEY QAZKXHSIKKNOHH-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:2793
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.380 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 479.258296
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+PK$SPLASH: splash10-004l-9070000000-08d883e62b0fa554cad7
+PK$NUM_PEAK: 3
+PK$PEAK: m/z int. rel.int.
+  35.0 703 160
+  42.2 4258 969
+  228.1 4391 999
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ02382.txt b/MSSJ/MSBNK-MSSJ-MSJ02382.txt
new file mode 100644
index 00000000000..727032dde24
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ02382.txt
@@ -0,0 +1,190 @@
+ACCESSION: MSBNK-MSSJ-MSJ02382
+RECORD_TITLE: (3aS,4R,6R,6aR)-3a,4-dihydroxy-3,3,6-trimethylhexahydro-1H-cyclopenta[c]furan-1-one; GC-EI-TOF; MS; POSITIVE; 70 V
+DATE: 2022.08.16
+AUTHORS: Eiyu Imai, Takemichi Nakamura, Molecular Structure Characterization Unit, RIKEN
+LICENSE: CC BY
+COPYRIGHT: Eiyu Imai, Takemichi Nakamura, Molecular Structure Characterization Unit, RIKEN
+PUBLICATION: Mori K., Tetrahedron. 2019 Jun 21;75(25):3387-98. doi: 10.1016/j.tet.2019.04.055.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+COMMENT: Original ID of the mass spectral data is KM181201_ei_i1.xlsx.
+COMMENT: JMS-T100GCV (JEOL, Akishima, Japan) is a reflectron time-of-flight (reTOF) mass spectrometer. Temperature of the ion-source and GC-transfer line were 200 C and 250 C, respectively. Resolving power (FWHM, nominal) was 7000.
+COMMENT: EI voltage was 70 V. Typical accuracy level expected was 5 ppm. The m/z value was adjusted with 130.06299.
+CH$NAME: (3aS,4R,6R,6aR)-3a,4-dihydroxy-3,3,6-trimethylhexahydro-1H-cyclopenta[c]furan-1-one
+CH$COMPOUND_CLASS: Non-natural compound
+CH$FORMULA: C10H16O4
+CH$EXACT_MASS: 200.104859
+CH$SMILES: CC1(C)OC(=O)[C@@H]2[C@H](C)C[C@@H](O)[C@@]21O
+CH$IUPAC: InChI=1S/C10H16O4/c1-5-4-6(11)10(13)7(5)8(12)14-9(10,2)3/h5-7,11,13H,4H2,1-3H3/t5-,6-,7+,10-/m1/s1
+CH$LINK: INCHIKEY WVTBLUCDGKYJHI-QGOVLLJGSA-N
+AC$INSTRUMENT: JMS-T100GCV (JEOL, Akishima, Japan) coupled to Agilent 7890A (Santa Clara, CA, USA) gas chromatograph.
+AC$INSTRUMENT_TYPE: GC-EI-TOF
+AC$MASS_SPECTROMETRY: MS_TYPE MS
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION EI
+AC$CHROMATOGRAPHY: CARRIER_GAS He, 1.5 ml/min
+AC$CHROMATOGRAPHY: COLUMN_NAME HP-5 19091J-413 USD364547H (Agilent, Wilmington, USA) with the length 30.0 m, I.D. 0.32 mm, and thickness 0.25 micrometer.
+AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE Held at 70 C for 4 min and ramped at the rate of 30 C/min to 320 C and held at the final temperature for 1.67 min.
+AC$CHROMATOGRAPHY: INJECTION_TEMPERATURE 250 C
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.05 min
+PK$SPLASH: splash10-01pn-9200000000-5029652f52a91f48d760
+PK$NUM_PEAK: 158
+PK$PEAK: m/z int. rel.int.
+  26.016 1.2358 12
+  27.023 16.6917 167
+  27.066 0.1841 2
+  28.006 0.4285 4
+  28.031 1.6892 17
+  29.003 6.8057 68
+  29.039 10.8715 109
+  29.084 0.1545 2
+  30.01 0.7658 8
+  30.043 0.2652 3
+  31.018 7.1264 71
+  38.016 0.7898 8
+  39.024 26.6651 266
+  39.308 0.1168 1
+  40.031 4.8337 48
+  41.003 0.3474 3
+  41.039 49.4771 494
+  41.325 0.1426 1
+  42.011 3.689 37
+  42.046 9.2584 92
+  43.018 66.1959 661
+  43.055 8.329 83
+  43.147 0.1694 2
+  43.341 0.1991 2
+  43.563 0.1321 1
+  44.026 11.203 112
+  44.058 0.3994 4
+  44.998 0.6992 7
+  45.034 3.3334 33
+  47.014 0.3964 4
+  50.016 0.6374 6
+  51.024 3.1488 31
+  52.031 1.8457 18
+  53.003 1.5579 16
+  53.039 16.6796 167
+  54.011 1.2174 12
+  54.046 2.7796 28
+  55.018 8.3304 83
+  55.055 9.848 98
+  56.025 1.2858 13
+  56.062 1.5552 16
+  57.034 9.703 97
+  57.07 5.6547 56
+  58.005 2.35 23
+  58.041 2.5549 26
+  58.073 0.2947 3
+  59.05 16.3214 163
+  60.021 0.9633 10
+  60.053 0.5397 5
+  63.024 0.5069 5
+  65.039 3.9581 40
+  66.047 1.7694 18
+  67.019 0.6767 7
+  67.055 13.739 137
+  68.026 2.3311 23
+  68.062 10.9908 110
+  68.129 0.1493 1
+  68.998 3.1492 31
+  69.034 25.5508 255
+  69.069 2.5518 25
+  70.004 0.4642 5
+  70.041 32.1554 321
+  71.013 2.0704 21
+  71.049 22.2893 223
+  72.021 3.3543 34
+  72.056 2.3501 23
+  73.029 1.0921 11
+  77.039 4.3681 44
+  78.046 0.8366 8
+  79.055 3.6529 36
+  80.026 0.5163 5
+  80.061 0.524 5
+  81.034 55.8188 558
+  81.208 0.1405 1
+  81.435 0.1526 2
+  81.478 0.1692 2
+  81.809 0.1212 1
+  82.038 3.6312 36
+  82.077 0.6749 7
+  83.05 10.8763 109
+  84.021 0.5141 5
+  84.057 2.9365 29
+  85.029 0.6789 7
+  85.065 1.5069 15
+  86.037 0.4919 5
+  86.073 0.9927 10
+  87.008 10.0837 101
+  87.044 4.5105 45
+  88.011 0.3443 3
+  88.049 0.2987 3
+  91.055 1.7498 17
+  93.071 1.1685 12
+  94.042 0.5817 6
+  94.077 0.3073 3
+  95.05 11.6366 116
+  95.086 1.5286 15
+  95.185 0.2722 3
+  96.057 52.5492 525
+  96.499 0.1289 1
+  96.542 0.1504 2
+  97.029 6.1049 61
+  97.064 10.7075 107
+  98.035 0.7942 8
+  98.068 0.7095 7
+  99.044 68.7397 687
+  99.237 0.1601 2
+  99.534 0.2091 2
+  99.873 0.1307 1
+  100.017 1.0932 11
+  100.048 3.7368 37
+  101.059 2.1029 21
+  102.067 0.3941 4
+  105.07 0.3968 4
+  107.05 0.2921 3
+  107.086 0.2505 3
+  109.066 0.5853 6
+  109.102 0.2717 3
+  110.073 0.3882 4
+  111.045 8.394 84
+  111.081 1.3345 13
+  111.179 0.1594 2
+  112.052 11.3667 114
+  112.089 2.0787 21
+  113.024 0.6959 7
+  113.059 3.5282 35
+  114.068 100 999
+  114.593 0.2758 3
+  115.04 2.4283 24
+  115.071 6.3609 64
+  115.349 0.1475 1
+  115.413 0.1211 1
+  116.073 0.5947 6
+  121.066 0.4416 4
+  123.045 0.4618 5
+  123.081 1.0248 10
+  124.052 0.2448 2
+  125.06 0.5281 5
+  129.055 5.8923 59
+  130.063 31.5402 315
+  131.066 2.0699 21
+  137.061 1.4037 14
+  138.068 1.4491 14
+  138.105 0.7515 8
+  139.076 1.7625 18
+  140.048 0.1989 2
+  140.08 0.2274 2
+  141.056 2.4821 25
+  149.06 0.5828 6
+  154.1 0.342 3
+  155.071 0.7942 8
+  156.078 0.7241 7
+  164.085 0.3989 4
+  167.071 1.9455 19
+  172.111 3.7923 38
+  173.114 0.3363 3
+  182.095 0.8472 8
+  185.082 1.9976 20
+  186.085 0.225 2
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ02383.txt b/MSSJ/MSBNK-MSSJ-MSJ02383.txt
new file mode 100644
index 00000000000..74d6dbc5a9b
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ02383.txt
@@ -0,0 +1,50 @@
+ACCESSION: MSBNK-MSSJ-MSJ02383
+RECORD_TITLE: (3aS,4R,6R,6aR)-3a,4-dihydroxy-3,3,6-trimethylhexahydro-1H-cyclopenta[c]furan-1-one; GC-FI-TOF; MS; POSITIVE; 10 kV
+DATE: 2022.08.16
+AUTHORS: Eiyu Imai, Takemichi Nakamura, Molecular Structure Characterization Unit, RIKEN
+LICENSE: CC BY
+COPYRIGHT: Eiyu Imai, Takemichi Nakamura, Molecular Structure Characterization Unit, RIKEN
+PUBLICATION: Mori K., Tetrahedron. 2019 Jun 21;75(25):3387-98. doi: 10.1016/j.tet.2019.04.055.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+COMMENT: Original ID of the mass spectral data is KM181201_fi_i1.xlsx.
+COMMENT: JMS-T100GCV (JEOL, Akishima, Japan) is a reflectron time-of-flight (reTOF) mass spectrometer. Temperature of the ion-source and GC-transfer line were 60 C and 200 C, respectively. Resolving power (FWHM, nominal) was 7000.
+COMMENT: FI voltage was 10 kV. Typical accuracy level expected was 10 ppm. The m/z value was adjusted with 200.10486.
+CH$NAME: (3aS,4R,6R,6aR)-3a,4-dihydroxy-3,3,6-trimethylhexahydro-1H-cyclopenta[c]furan-1-one
+CH$COMPOUND_CLASS: Non-natural compound
+CH$FORMULA: C10H16O4
+CH$EXACT_MASS: 200.104859
+CH$SMILES: CC1(C)OC(=O)[C@@H]2[C@H](C)C[C@@H](O)[C@@]21O
+CH$IUPAC: InChI=1S/C10H16O4/c1-5-4-6(11)10(13)7(5)8(12)14-9(10,2)3/h5-7,11,13H,4H2,1-3H3/t5-,6-,7+,10-/m1/s1
+CH$LINK: INCHIKEY WVTBLUCDGKYJHI-QGOVLLJGSA-N
+AC$INSTRUMENT: JMS-T100GCV (JEOL, Akishima, Japan) coupled to Agilent 7890A (Santa Clara, CA, USA) gas chromatograph.
+AC$INSTRUMENT_TYPE: GC-FI-TOF
+AC$MASS_SPECTROMETRY: MS_TYPE MS
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION FI
+AC$CHROMATOGRAPHY: CARRIER_GAS He, 1.5 ml/min
+AC$CHROMATOGRAPHY: COLUMN_NAME HP-5 19091J-413 USD364547H (Agilent, Wilmington, USA) with the length 30.0 m, I.D. 0.32 mm, and thickness 0.25 micrometer.
+AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE Held at 70 C for 4 min and ramped at the rate of 30 C/min to 320 C and held at the final temperature for 1.67 min.
+AC$CHROMATOGRAPHY: INJECTION_TEMPERATURE 250 C
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.04 min
+PK$SPLASH: splash10-0udi-0490000000-cc70473b9f4bcf9237af
+PK$NUM_PEAK: 18
+PK$PEAK: m/z int. rel.int.
+  96.055 0.695 7
+  114.065 0.3896 4
+  130.058 6.8402 68
+  131.06 0.4984 5
+  155.069 0.3695 4
+  172.11 36.9763 369
+  173.114 3.7151 37
+  174.116 0.5043 5
+  182.093 1.9443 19
+  183.099 0.6719 7
+  199.097 6.0865 61
+  200.105 100 999
+  200.382 0.2956 3
+  200.721 0.2942 3
+  200.804 0.3225 3
+  201.111 25.4661 254
+  201.82 0.2441 2
+  202.113 2.9136 29
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ02384.txt b/MSSJ/MSBNK-MSSJ-MSJ02384.txt
new file mode 100644
index 00000000000..f6ab93fd816
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ02384.txt
@@ -0,0 +1,125 @@
+ACCESSION: MSBNK-MSSJ-MSJ02384
+RECORD_TITLE: (3aR,4S,6R,6aS)-3a,4-dihydroxy-3,3,6-trimethylhexahydro-1H-cyclopenta[c]furan-1-one; GC-EI-TOF; MS; POSITIVE; 70 V
+DATE: 2022.08.16
+AUTHORS: Eiyu Imai, Takemichi Nakamura, Molecular Structure Characterization Unit, RIKEN
+LICENSE: CC BY
+COPYRIGHT: Eiyu Imai, Takemichi Nakamura, Molecular Structure Characterization Unit, RIKEN
+PUBLICATION: Mori K., Tetrahedron. 2019 Jun 21;75(25):3387-98. doi: 10.1016/j.tet.2019.04.055.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+COMMENT: Original ID of the mass spectral data is KM181201_ei_i2.xlsx.
+COMMENT: JMS-T100GCV (JEOL, Akishima, Japan) is a reflectron time-of-flight (reTOF) mass spectrometer. Temperature of the ion-source and GC-transfer line were 200 C and 250 C, respectively. Resolving power (FWHM, nominal) was 7000.
+COMMENT: EI voltage was 70 V. Typical accuracy level expected was 5 ppm. The m/z value was adjusted with 130.06299.
+CH$NAME: (3aR,4S,6R,6aS)-3a,4-dihydroxy-3,3,6-trimethylhexahydro-1H-cyclopenta[c]furan-1-one
+CH$COMPOUND_CLASS: Non-natural compound
+CH$FORMULA: C10H16O4
+CH$EXACT_MASS: 200.104859
+CH$SMILES: CC1(C)OC(=O)[C@H]2[C@H](C)C[C@H](O)[C@]21O
+CH$IUPAC: InChI=1S/C10H16O4/c1-5-4-6(11)10(13)7(5)8(12)14-9(10,2)3/h5-7,11,13H,4H2,1-3H3/t5-,6+,7-,10+/m1/s1
+CH$LINK: INCHIKEY WVTBLUCDGKYJHI-LGVNZDMBSA-N
+AC$INSTRUMENT: JMS-T100GCV (JEOL, Akishima, Japan) coupled to Agilent 7890A (Santa Clara, CA, USA) gas chromatograph.
+AC$INSTRUMENT_TYPE: GC-EI-TOF
+AC$MASS_SPECTROMETRY: MS_TYPE MS
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION EI
+AC$CHROMATOGRAPHY: CARRIER_GAS He, 1.5 ml/min
+AC$CHROMATOGRAPHY: COLUMN_NAME HP-5 19091J-413 USD364547H (Agilent, Wilmington, USA) with the length 30.0 m, I.D. 0.32 mm, and thickness 0.25 micrometer.
+AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE Held at 70 C for 4 min and ramped at the rate of 30 C/min to 320 C and held at the final temperature for 1.67 min.
+AC$CHROMATOGRAPHY: INJECTION_TEMPERATURE 250 C
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.93 min
+PK$SPLASH: splash10-03ed-9200000000-991159f7da5b9b24e641
+PK$NUM_PEAK: 93
+PK$PEAK: m/z int. rel.int.
+  26.015 1.0348 10
+  27.023 12.1734 122
+  28.006 2.6474 26
+  28.03 1.3088 13
+  29.003 5.251 52
+  29.039 8.1085 81
+  31.018 5.5212 55
+  31.989 1.4761 15
+  39.024 19.507 195
+  40.031 3.5131 35
+  41.039 35.9239 359
+  41.09 0.4562 5
+  42.011 2.7367 27
+  42.046 6.5278 65
+  43.018 48.6639 486
+  43.055 5.6216 56
+  44.026 8.4548 84
+  45.034 2.4965 25
+  51.023 2.3731 24
+  52.031 1.3941 14
+  53.003 1.2256 12
+  53.039 12.4175 124
+  54.01 0.9329 9
+  54.046 2.1977 22
+  55.018 6.21 62
+  55.055 7.2463 72
+  56.025 0.8687 9
+  56.061 1.0611 11
+  57.034 6.7713 68
+  57.07 4.2389 42
+  58.005 1.7319 17
+  58.041 1.9071 19
+  59.049 12.9105 129
+  65.039 2.9549 30
+  66.047 1.3556 14
+  67.055 9.9959 100
+  68.026 1.6165 16
+  68.062 9.0424 90
+  68.998 2.0709 21
+  69.034 18.9501 189
+  69.069 1.9956 20
+  70.041 17.8716 179
+  71.013 1.5698 16
+  71.049 13.5858 136
+  72.021 2.8828 29
+  72.055 1.438 14
+  73.028 1.0075 10
+  77.039 3.2713 33
+  78.046 0.7758 8
+  79.055 2.8459 28
+  81.034 45.8054 458
+  81.07 1.9663 20
+  82.038 2.912 29
+  83.05 6.5548 65
+  83.086 0.5656 6
+  84.056 1.6008 16
+  85.065 1.112 11
+  86.073 0.9084 9
+  87.008 5.1783 52
+  87.044 1.8657 19
+  91.055 1.4605 15
+  93.071 0.8881 9
+  95.05 8.7534 87
+  95.086 1.2266 12
+  96.057 31.2234 312
+  97.029 2.8458 28
+  97.064 7.262 73
+  99.044 53.4895 534
+  100.017 0.9867 10
+  100.048 2.9586 30
+  101.059 1.276 13
+  111.044 4.1514 41
+  111.081 0.8177 8
+  112.052 5.4766 55
+  112.089 0.8952 9
+  113.06 2.7825 28
+  114.068 100 999
+  115.071 6.5475 65
+  116.074 0.6108 6
+  123.081 0.7624 8
+  129.055 2.124 21
+  130.063 13.7766 138
+  131.067 0.905 9
+  137.061 1.0606 11
+  138.068 1.2769 13
+  139.076 1.2917 13
+  141.055 1.6948 17
+  155.056 1.2831 13
+  156.076 0.574 6
+  167.071 1.0813 11
+  170.077 1.1966 12
+  172.11 4.9552 50
+  185.082 1.3066 13
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ02385.txt b/MSSJ/MSBNK-MSSJ-MSJ02385.txt
new file mode 100644
index 00000000000..c67cc192540
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ02385.txt
@@ -0,0 +1,42 @@
+ACCESSION: MSBNK-MSSJ-MSJ02385
+RECORD_TITLE: (3aR,4S,6R,6aS)-3a,4-dihydroxy-3,3,6-trimethylhexahydro-1H-cyclopenta[c]furan-1-one; GC-FI-TOF; MS; POSITIVE; 10 kV
+DATE: 2022.08.16
+AUTHORS: Eiyu Imai, Takemichi Nakamura, Molecular Structure Characterization Unit, RIKEN
+LICENSE: CC BY
+COPYRIGHT: Eiyu Imai, Takemichi Nakamura, Molecular Structure Characterization Unit, RIKEN
+PUBLICATION: Mori K., Tetrahedron. 2019 Jun 21;75(25):3387-98. doi: 10.1016/j.tet.2019.04.055.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+COMMENT: Original ID of the mass spectral data is KM181201_fi_i2.xlsx.
+COMMENT: JMS-T100GCV (JEOL, Akishima, Japan) is a reflectron time-of-flight (reTOF) mass spectrometer. Temperature of the ion-source and GC-transfer line were 60 C and 200 C, respectively. Resolving power (FWHM, nominal) was 7000.
+COMMENT: FI voltage was 10 kV. Typical accuracy level expected was 10 ppm. The m/z value was adjusted with 200.10486.
+CH$NAME: (3aR,4S,6R,6aS)-3a,4-dihydroxy-3,3,6-trimethylhexahydro-1H-cyclopenta[c]furan-1-one
+CH$COMPOUND_CLASS: Non-natural compound
+CH$FORMULA: C10H16O4
+CH$EXACT_MASS: 200.104859
+CH$SMILES: CC1(C)OC(=O)[C@H]2[C@H](C)C[C@H](O)[C@]21O
+CH$IUPAC: InChI=1S/C10H16O4/c1-5-4-6(11)10(13)7(5)8(12)14-9(10,2)3/h5-7,11,13H,4H2,1-3H3/t5-,6+,7-,10+/m1/s1
+CH$LINK: INCHIKEY WVTBLUCDGKYJHI-LGVNZDMBSA-N
+AC$INSTRUMENT: JMS-T100GCV (JEOL, Akishima, Japan) coupled to Agilent 7890A (Santa Clara, CA, USA) gas chromatograph.
+AC$INSTRUMENT_TYPE: GC-FI-TOF
+AC$MASS_SPECTROMETRY: MS_TYPE MS
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION FI
+AC$CHROMATOGRAPHY: CARRIER_GAS He, 1.5 ml/min
+AC$CHROMATOGRAPHY: COLUMN_NAME HP-5 19091J-413 USD364547H (Agilent, Wilmington, USA) with the length 30.0 m, I.D. 0.32 mm, and thickness 0.25 micrometer.
+AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE Held at 70 C for 4 min and ramped at the rate of 30 C/min to 320 C and held at the final temperature for 1.67 min.
+AC$CHROMATOGRAPHY: INJECTION_TEMPERATURE 250 C
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.04 min
+PK$SPLASH: splash10-00di-0920000000-cda1b88c0caa75dc1e15
+PK$NUM_PEAK: 10
+PK$PEAK: m/z int. rel.int.
+  114.068 1.3418 13
+  172.11 100 999
+  173.113 10.3871 104
+  174.118 1.3503 13
+  182.09 1.2812 13
+  183.105 1.8129 18
+  199.096 5.0978 51
+  200.105 12.8181 128
+  201.112 21.2144 212
+  202.115 2.1239 21
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ02386.txt b/MSSJ/MSBNK-MSSJ-MSJ02386.txt
new file mode 100644
index 00000000000..58d689bc9a7
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ02386.txt
@@ -0,0 +1,145 @@
+ACCESSION: MSBNK-MSSJ-MSJ02386
+RECORD_TITLE: (3aR,6R,6aR)-3a-hydroxy-3,3,6-trimethyltetrahydro-1H-cyclopenta[c]furan-1,4(3H)-dione; GC-EI-TOF; MS; POSITIVE; 70 V
+DATE: 2022.08.16
+AUTHORS: Eiyu Imai, Takemichi Nakamura, Molecular Structure Characterization Unit, RIKEN
+LICENSE: CC BY
+COPYRIGHT: Eiyu Imai, Takemichi Nakamura, Molecular Structure Characterization Unit, RIKEN
+PUBLICATION: Mori K., Tetrahedron. 2019 Jun 21;75(25):3387-98. doi: 10.1016/j.tet.2019.04.055.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+COMMENT: Original ID of the mass spectral data is KM181202_ei_i1.
+COMMENT: JMS-T100GCV (JEOL, Akishima, Japan) is a reflectron time-of-flight (reTOF) mass spectrometer. Temperature of the ion-source and GC-transfer line were 200 C and 250 C, respectively. Resolving power (FWHM, nominal) was 7000.
+COMMENT: EI voltage was 70 V. Typical accuracy level expected was 5 ppm. The m/z value was adjusted with 170.09429.
+CH$NAME: (3aR,6R,6aR)-3a-hydroxy-3,3,6-trimethyltetrahydro-1H-cyclopenta[c]furan-1,4(3H)-dione
+CH$COMPOUND_CLASS: Non-natural compound
+CH$FORMULA: C10H14O4
+CH$EXACT_MASS: 198.089209
+CH$SMILES: CC1(C)OC(=O)[C@@H]2[C@H](C)CC(=O)[C@@]21O
+CH$IUPAC: InChI=1S/C10H14O4/c1-5-4-6(11)10(13)7(5)8(12)14-9(10,2)3/h5,7,13H,4H2,1-3H3/t5-,7+,10-/m1/s1
+CH$LINK: INCHIKEY IOLFLXWJXRIDHK-NJUACVTBSA-N
+AC$INSTRUMENT: JMS-T100GCV (JEOL, Akishima, Japan) coupled to Agilent 7890A (Santa Clara, CA, USA) gas chromatograph.
+AC$INSTRUMENT_TYPE: GC-EI-TOF
+AC$MASS_SPECTROMETRY: MS_TYPE MS
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION EI
+AC$CHROMATOGRAPHY: CARRIER_GAS He, 1.5 ml/min
+AC$CHROMATOGRAPHY: COLUMN_NAME HP-5 19091J-413 USD364547H (Agilent, Wilmington, USA) with the length 30.0 m, I.D. 0.32 mm, and thickness 0.25 micrometer.
+AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE Held at 70 C for 4 min and ramped at the rate of 30 C/min to 320 C and held at the final temperature for 1.67 min.
+AC$CHROMATOGRAPHY: INJECTION_TEMPERATURE 250 C
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.00 min
+PK$SPLASH: splash10-02tc-9200000000-dbb6cbdc63f0c1a7649f
+PK$NUM_PEAK: 113
+PK$PEAK: m/z int. rel.int.
+  26.016 0.6969 7
+  27.023 10.2698 103
+  28.006 0.4263 4
+  28.031 1.5376 15
+  29.003 2.3145 23
+  29.039 6.3814 64
+  31.018 3.1809 32
+  38.016 1.1697 12
+  39.024 26.4425 264
+  39.111 0.1446 1
+  40.031 5.3244 53
+  41.003 0.6371 6
+  41.039 39.9498 399
+  42.011 9.8425 98
+  42.047 13.6449 136
+  43.018 50.9396 509
+  43.054 2.7969 28
+  43.144 0.1358 1
+  43.304 0.1597 2
+  43.343 0.1655 2
+  44.023 1.5498 15
+  44.998 0.4571 5
+  45.034 1.2052 12
+  50.016 0.7627 8
+  51.024 2.5096 25
+  52.031 1.1624 12
+  53.003 1.3129 13
+  53.039 4.6729 47
+  54.046 1.0727 11
+  55.018 4.4853 45
+  55.055 6.7596 68
+  56.026 1.6184 16
+  56.062 15.6379 156
+  57.034 1.3093 13
+  57.066 0.7387 7
+  58.042 0.5485 5
+  59.049 22.8112 228
+  60.053 0.734 7
+  63.024 0.5561 6
+  65.039 2.38 24
+  66.047 1.6225 16
+  67.019 0.6927 7
+  67.055 2.7403 27
+  68.026 4.2223 42
+  68.06 0.3391 3
+  68.998 3.0863 31
+  69.034 100 999
+  69.443 0.2776 3
+  69.721 0.1773 2
+  70.005 1.3614 14
+  70.041 31.5046 315
+  70.388 0.1435 1
+  71.013 0.8277 8
+  71.047 2.2592 23
+  72.057 1.1914 12
+  77.039 2.8298 28
+  78.046 0.5161 5
+  79.055 2.5441 25
+  80.059 0.2543 3
+  81.034 0.6264 6
+  81.071 0.7894 8
+  82.042 1.0341 10
+  83.05 12.2646 123
+  84.021 0.3347 3
+  84.057 25.5744 255
+  85.029 3.0306 30
+  85.062 1.7473 17
+  86.035 0.3079 3
+  87.008 0.7121 7
+  87.044 0.4864 5
+  91.055 1.5904 16
+  93.071 1.0022 10
+  94.041 5.5178 55
+  95.049 1.7662 18
+  96.056 0.2861 3
+  97.029 15.3672 154
+  97.065 9.1404 91
+  98.033 0.9621 10
+  98.069 0.5866 6
+  99.04 0.1872 2
+  100.052 2.4228 24
+  101.059 0.6506 6
+  109.065 0.8871 9
+  110.037 0.6754 7
+  110.072 0.2809 3
+  111.044 7.4312 74
+  111.081 1.1546 12
+  111.182 0.1681 2
+  112.052 86.6506 866
+  112.573 0.2486 2
+  113.024 4.639 46
+  113.056 7.4676 75
+  113.29 0.1212 1
+  114.058 0.6087 6
+  121.066 0.2534 3
+  123.044 0.2937 3
+  127.039 0.4786 5
+  128.047 0.7089 7
+  129.055 5.3923 54
+  130.061 0.8056 8
+  137.06 1.7801 18
+  138.066 0.3145 3
+  139.076 0.6495 6
+  140.047 1.4679 15
+  141.053 0.2582 3
+  152.083 0.2336 2
+  155.071 1.4802 15
+  165.055 0.3978 4
+  170.094 4.1247 41
+  171.098 0.3878 4
+  180.079 0.5671 6
+  183.066 0.692 7
+  198.09 0.8777 9
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ02387.txt b/MSSJ/MSBNK-MSSJ-MSJ02387.txt
new file mode 100644
index 00000000000..5098ced144c
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ02387.txt
@@ -0,0 +1,40 @@
+ACCESSION: MSBNK-MSSJ-MSJ02387
+RECORD_TITLE: (3aR,6R,6aR)-3a-hydroxy-3,3,6-trimethyltetrahydro-1H-cyclopenta[c]furan-1,4(3H)-dione; GC-FI-TOF; MS; POSITIVE; 10 kV
+DATE: 2022.08.16
+AUTHORS: Eiyu Imai, Takemichi Nakamura, Molecular Structure Characterization Unit, RIKEN
+LICENSE: CC BY
+COPYRIGHT: Eiyu Imai, Takemichi Nakamura, Molecular Structure Characterization Unit, RIKEN
+PUBLICATION: Mori K., Tetrahedron. 2019 Jun 21;75(25):3387-98. doi: 10.1016/j.tet.2019.04.055.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+COMMENT: Original ID of the mass spectral data is KM181202_fi_i1.xlsx.
+COMMENT: JMS-T100GCV (JEOL, Akishima, Japan) is a reflectron time-of-flight (reTOF) mass spectrometer. Temperature of the ion-source and GC-transfer line were 60 C and 200 C, respectively. Resolving power (FWHM, nominal) was 7000.
+COMMENT: FI voltage was 10 kV. Typical accuracy level expected was 10 ppm. The m/z value was adjusted with 198.08921.
+CH$NAME: (3aR,6R,6aR)-3a-hydroxy-3,3,6-trimethyltetrahydro-1H-cyclopenta[c]furan-1,4(3H)-dione
+CH$COMPOUND_CLASS: Non-natural compound
+CH$FORMULA: C10H14O4
+CH$EXACT_MASS: 198.089209
+CH$SMILES: CC1(C)OC(=O)[C@@H]2[C@H](C)CC(=O)[C@@]21O
+CH$IUPAC: InChI=1S/C10H14O4/c1-5-4-6(11)10(13)7(5)8(12)14-9(10,2)3/h5,7,13H,4H2,1-3H3/t5-,7+,10-/m1/s1
+CH$LINK: INCHIKEY IOLFLXWJXRIDHK-NJUACVTBSA-N
+AC$INSTRUMENT: JMS-T100GCV (JEOL, Akishima, Japan) coupled to Agilent 7890A (Santa Clara, CA, USA) gas chromatograph.
+AC$INSTRUMENT_TYPE: GC-FI-TOF
+AC$MASS_SPECTROMETRY: MS_TYPE MS
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION FI
+AC$CHROMATOGRAPHY: CARRIER_GAS He, 1.5 ml/min
+AC$CHROMATOGRAPHY: COLUMN_NAME HP-5 19091J-413 USD364547H (Agilent, Wilmington, USA) with the length 30.0 m, I.D. 0.32 mm, and thickness 0.25 micrometer.
+AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE Held at 70 C for 4 min and ramped at the rate of 30 C/min to 320 C and held at the final temperature for 1.67 min.
+AC$CHROMATOGRAPHY: INJECTION_TEMPERATURE 250 C
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.00 min
+PK$SPLASH: splash10-0002-0900000000-316fdba0f4f6a940703c
+PK$NUM_PEAK: 8
+PK$PEAK: m/z int. rel.int.
+  112.047 2.3507 23
+  140.045 4.5311 45
+  170.094 32.789 328
+  171.097 3.2374 32
+  197.081 6.0106 60
+  198.089 100 999
+  199.095 20.9356 209
+  200.098 2.5377 25
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ02414.txt b/MSSJ/MSBNK-MSSJ-MSJ02414.txt
new file mode 100644
index 00000000000..b610f038059
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ02414.txt
@@ -0,0 +1,183 @@
+ACCESSION: MSBNK-MSSJ-MSJ02414
+RECORD_TITLE: (E)-1-bromo-2-(1,1,1,4,4,4-hexafluorobuten-2-yl)benzene; GC-EI-TOF; MS; POSITIVE; 70 V
+DATE: 2023.10.01
+AUTHORS: Eiyu Imai, Molecular Structure Characterization Unit, RIKEN, Japan
+LICENSE: CC BY
+COPYRIGHT: Eiyu Imai, Molecular Structure Characterization Unit, RIKEN, Japan
+PUBLICATION: Takuma Tagami, Yuma Aoki, Shintaro Kawamura and Mikiko Sodeoka; Org. Biomol. Chem., 2021, 19, 9148. DOI: 10.1039/d1ob01529j
+COMMENT: Original ID of the mass spectral data is A_2020929_tagami4MB/TT35_FC29-36_ei.xlsx
+COMMENT: JMS-T100GCV (JEOL, Akishima, Japan) is a reflectron time-of-flight (reTOF) mass spectrometer. Temperature of the ion-source and GC-transfer line were 200 C and 250 C, respectively. Resolving power (FWHM, nominal) was 7000.
+COMMENT: EI voltage was 70 V. Typical accuracy level expected was 5 ppm. The m/z value was adjusted with 317.9479.
+CH$NAME: (E)-1-bromo-2-(1,1,1,4,4,4-hexafluorobuten-2-yl)benzene
+CH$COMPOUND_CLASS: Non-natural compound
+CH$FORMULA: C10H5BrF6
+CH$EXACT_MASS: 317.947874
+CH$SMILES: Brc1ccccc1\C(=C/C(F)(F)F)C(F)(F)F
+CH$IUPAC: InChI=1S/C10H5BrF6/c11-8-4-2-1-3-6(8)7(10(15,16)17)5-9(12,13)14/h1-5H/b7-5+
+CH$LINK: INCHIKEY DLFJBUMDQRLPDJ-FNORWQNLSA-N
+AC$INSTRUMENT: JMS-T100GCV (JEOL, Akishima, Japan) coupled to Agilent 7890A (Santa Clara, CA, USA) gas chromatograph.
+AC$INSTRUMENT_TYPE: GC-EI-TOF
+AC$MASS_SPECTROMETRY: MS_TYPE MS
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION EI
+AC$CHROMATOGRAPHY: CARRIER_GAS He, flow rate 1 ml/min
+AC$CHROMATOGRAPHY: COLUMN_NAME DB-5MS 122-5532 USA360633H (Agilent, Wilmington, USA) with the length 30.0 m, I.D. 0.25 mm, and thickness 0.25 micrometer.
+AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE Initial oven temperature at 70 C for 4 min and ramped at the rate of 30 C/min to 325 C and held at the final temperature for 1.5 min.
+AC$CHROMATOGRAPHY: INJECTION_TEMPERATURE 250 C
+AC$CHROMATOGRAPHY: RETENTION_TIME 6.23 min
+PK$SPLASH: splash10-014i-2936000000-ab9dff0938573e4e5af2
+PK$NUM_PEAK: 152
+PK$PEAK: m/z int. rel.int.
+  27.024 0.4312 4
+  28.006 0.4364 4
+  30.999 0.6117 6
+  37.008 0.4465 4
+  38.016 0.8924 9
+  39.024 1.905 19
+  49.008 0.5255 5
+  50.016 5.8969 59
+  51.024 4.6691 47
+  52.029 0.3133 3
+  56.007 0.21 2
+  57.014 1.0835 11
+  60.019 0.701 7
+  61.008 1.1936 12
+  62.016 2.6155 26
+  63.024 2.2525 23
+  68.007 0.4045 4
+  68.996 8.7904 88
+  70.022 0.4577 5
+  73.008 0.8572 9
+  74.016 8.8109 88
+  74.083 0.1301 1
+  75.023 10.4649 105
+  75.518 1.2692 13
+  76.03 1.7992 18
+  77.038 0.5474 5
+  78.919 0.3451 3
+  80.007 0.6033 6
+  80.917 0.3412 3
+  81.014 2.5315 25
+  82.019 0.2004 2
+  84.009 0.3357 3
+  84.514 0.8695 9
+  85.013 0.8763 9
+  86.016 0.8752 9
+  87.023 0.8667 9
+  88.017 0.3777 4
+  92.007 0.6106 6
+  93.007 1.0388 10
+  94.02 1.4825 15
+  94.517 0.8627 9
+  95.028 0.8327 8
+  96.037 0.2071 2
+  97.008 0.2902 3
+  98.016 2.4059 24
+  99.015 2.8842 29
+  100.024 1.5334 15
+  101.039 5.2634 53
+  102.043 0.4532 5
+  104.006 0.3609 4
+  105.014 0.74 7
+  106.021 0.3335 3
+  107.03 0.4365 4
+  109.008 0.3011 3
+  110.016 0.4574 5
+  111.006 0.3283 3
+  112.013 0.6216 6
+  113.007 0.307 3
+  116.934 0.2038 2
+  117.009 0.2261 2
+  118.021 0.3839 4
+  118.932 0.1981 2
+  119.022 2.1276 21
+  119.515 0.1939 2
+  120.038 9.0371 90
+  121.041 0.7355 7
+  123.005 1.3481 13
+  124.012 0.9445 9
+  124.477 1.2121 12
+  125.021 1.5948 16
+  125.476 1.1911 12
+  126.027 0.3822 4
+  127.036 0.2931 3
+  128.918 0.2904 3
+  129.925 0.1809 2
+  130.005 0.1765 2
+  130.916 0.2787 3
+  131.03 0.9171 9
+  132.035 0.3891 4
+  137.019 0.4241 4
+  138.029 1.357 14
+  139.035 0.3308 3
+  142.004 0.1921 2
+  143.011 2.9064 29
+  144.018 0.6198 6
+  145.027 2.4993 25
+  149.021 3.2179 32
+  149.475 0.4378 4
+  150.028 4.0499 40
+  150.474 0.4534 5
+  151.036 23.0728 230
+  152.04 2.2471 22
+  156.019 0.2627 3
+  162.012 0.1531 2
+  163.018 0.5264 5
+  167.012 0.408 4
+  168.019 1.1345 11
+  169.027 60.1361 601
+  169.493 0.1528 2
+  169.624 0.237 2
+  170.035 100 999
+  170.624 0.4292 4
+  171.038 9.6114 96
+  171.602 0.2772 3
+  172.043 0.5588 6
+  172.587 0.1485 1
+  173.073 0.1172 1
+  173.949 0.3642 4
+  175.946 0.3388 3
+  179.958 0.8302 8
+  180.018 0.1616 2
+  181.956 0.8143 8
+  187.018 1.7989 18
+  188.025 0.989 10
+  189.033 3.5418 35
+  190.037 0.3226 3
+  197.949 0.181 2
+  199.017 0.2214 2
+  199.947 0.1803 2
+  200.025 1.289 13
+  201.031 0.2876 3
+  218.016 0.7314 7
+  219.024 21.278 213
+  220.031 23.4519 234
+  220.741 0.1233 1
+  221.035 2.3288 23
+  222.039 0.189 2
+  228.947 5.3576 54
+  229.95 0.4902 5
+  230.945 5.2618 53
+  231.948 0.4852 5
+  238.022 0.5306 5
+  239.032 10.7202 107
+  240.036 1.5287 15
+  246.937 0.2627 3
+  248.954 15.7325 157
+  249.957 1.4878 15
+  250.952 15.2119 152
+  251.955 1.4185 14
+  278.944 0.4782 5
+  280.942 0.4666 5
+  298.949 1.0011 10
+  300.948 0.9444 9
+  317.948 90.3847 903
+  318.951 9.5307 95
+  319.431 0.2275 2
+  319.946 88.5367 884
+  320.949 9.2962 93
+  321.433 0.2976 3
+  321.954 0.5275 5
+  322.779 0.1592 2
+  323.453 0.1194 1
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ02415.txt b/MSSJ/MSBNK-MSSJ-MSJ02415.txt
new file mode 100644
index 00000000000..db5342df7e6
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ02415.txt
@@ -0,0 +1,194 @@
+ACCESSION: MSBNK-MSSJ-MSJ02415
+RECORD_TITLE: (E)-1-bromo-2-(1,1,1,2,2,5,5,6,6,6-decafluorohexen-3-yl)benzene; GC-EI-TOF; MS; POSITIVE; 70 V
+DATE: 2023.10.01
+AUTHORS: Eiyu Imai, Molecular Structure Characterization Unit, RIKEN, Japan
+LICENSE: CC BY
+COPYRIGHT: Eiyu Imai, Molecular Structure Characterization Unit, RIKEN, Japan
+PUBLICATION: Takuma Tagami, Yuma Aoki, Shintaro Kawamura and Mikiko Sodeoka; Org. Biomol. Chem., 2021, 19, 9148. DOI: 10.1039/d1ob01529j
+COMMENT: Original ID of the mass spectral data is A_2020929_tagami4MB/TT36_FC24-25_ei.xlsx
+COMMENT: JMS-T100GCV (JEOL, Akishima, Japan) is a reflectron time-of-flight (reTOF) mass spectrometer. Temperature of the ion-source and GC-transfer line were 200 C and 250 C, respectively. Resolving power (FWHM, nominal) was 7000.
+COMMENT: EI voltage was 70 V. Typical accuracy level expected was 5 ppm. The m/z value was adjusted with 417.94149.
+CH$NAME: (E)-1-bromo-2-(1,1,1,2,2,5,5,6,6,6-decafluorohexen-3-yl)benzene
+CH$COMPOUND_CLASS: Non-natural compound
+CH$FORMULA: C12H5BrF10
+CH$EXACT_MASS: 417.941487
+CH$SMILES: Brc1ccccc1\C(=C/C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F
+CH$IUPAC: InChI=1S/C12H5BrF10/c13-8-4-2-1-3-6(8)7(10(16,17)12(21,22)23)5-9(14,15)11(18,19)20/h1-5H/b7-5+
+CH$LINK: INCHIKEY HSGWNRBKAPWFBH-FNORWQNLSA-N
+AC$INSTRUMENT: JMS-T100GCV (JEOL, Akishima, Japan) coupled to Agilent 7890A (Santa Clara, CA, USA) gas chromatograph.
+AC$INSTRUMENT_TYPE: GC-EI-TOF
+AC$MASS_SPECTROMETRY: MS_TYPE MS
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION EI
+AC$CHROMATOGRAPHY: CARRIER_GAS He, flow rate 1 ml/min
+AC$CHROMATOGRAPHY: COLUMN_NAME DB-5MS 122-5532 USA360633H (Agilent, Wilmington, USA) with the length 30.0 m, I.D. 0.25 mm, and thickness 0.25 micrometer.
+AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE Initial oven temperature at 70 C for 4 min and ramped at the rate of 30 C/min to 325 C and held at the final temperature for 1.5 min.
+AC$CHROMATOGRAPHY: INJECTION_TEMPERATURE 250 C
+AC$CHROMATOGRAPHY: RETENTION_TIME 6.22 min
+PK$SPLASH: splash10-0gb9-2972700000-c59ab9d9cbf7784242dd
+PK$NUM_PEAK: 163
+PK$PEAK: m/z int. rel.int.
+  28.006 0.3306 3
+  30.999 0.4917 5
+  38.016 0.4234 4
+  39.024 1.3187 13
+  50.016 3.0992 31
+  51.024 2.2826 23
+  57.015 0.6567 7
+  61.008 0.4567 5
+  62.016 1.5408 15
+  63.024 1.8269 18
+  68.996 9.2795 93
+  69.058 0.1279 1
+  73.008 0.3049 3
+  74.016 4.3975 44
+  75.023 5.6602 57
+  75.519 1.5063 15
+  76.03 1.2848 13
+  77.038 0.4841 5
+  80.007 0.3733 4
+  81.015 1.4178 14
+  85.01 0.4419 4
+  86.016 0.8574 9
+  87.023 0.8406 8
+  88.017 0.3818 4
+  91.018 0.3823 4
+  92.007 0.3154 3
+  93.013 0.4009 4
+  94.022 0.2769 3
+  95.03 0.3309 3
+  98.016 0.9815 10
+  99.007 2.1852 22
+  100.014 1.6078 16
+  101.039 4.4996 45
+  102.043 0.3863 4
+  104.007 0.3522 4
+  105.015 1.2419 12
+  106.021 0.6814 7
+  107.03 0.3352 3
+  110.016 0.3542 4
+  111.016 0.4269 4
+  112.013 0.9875 10
+  113.004 0.4222 4
+  117.008 0.1634 2
+  118.995 1.0294 10
+  120.038 1.1146 11
+  123.006 0.9798 10
+  124.013 1.2417 12
+  124.477 0.4441 4
+  125.021 2.2012 22
+  125.476 0.4355 4
+  126.028 0.5592 6
+  129.014 0.2495 2
+  129.974 0.2152 2
+  131.03 2.3494 23
+  132.038 1.9634 20
+  133.042 0.2156 2
+  137.012 0.3057 3
+  138.029 0.8016 8
+  143.014 0.7586 8
+  144.025 0.1776 2
+  145.027 2.143 21
+  149.021 1.7643 18
+  149.475 0.3192 3
+  150.029 4.6366 46
+  150.474 0.3338 3
+  151.037 100 999
+  151.599 0.3414 3
+  152.04 9.4967 95
+  152.525 0.2074 2
+  153.043 0.4961 5
+  153.456 0.1096 1
+  154.95 0.2074 2
+  155.009 0.1774 2
+  156.019 0.3711 4
+  156.948 0.174 2
+  161.021 0.9499 9
+  162.028 0.8662 9
+  163.031 0.37 4
+  168.019 0.2608 3
+  169.027 12.4271 124
+  170.035 9.4789 95
+  171.039 0.9243 9
+  174.01 0.2816 3
+  174.474 0.2609 3
+  175.014 0.1689 2
+  175.473 0.2468 2
+  179.958 1.3026 13
+  180.019 0.781 8
+  181.027 1.7296 17
+  181.956 1.2687 13
+  182.035 10.6703 107
+  183.039 1.1193 11
+  187.018 0.8888 9
+  188.025 0.291 3
+  189.033 0.202 2
+  193.02 0.2703 3
+  199.018 0.4874 5
+  200.026 13.8541 138
+  201.033 19.4458 194
+  202.037 1.9313 19
+  204.947 0.3041 3
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+  206.945 0.281 3
+  210.956 0.3274 3
+  211.018 0.376 4
+  212.954 0.3198 3
+  213.033 0.2693 3
+  218.016 0.5611 6
+  219.024 6.0185 60
+  220.033 21.3274 213
+  221.037 2.2972 23
+  228.947 4.7853 48
+  229.951 0.4678 5
+  230.945 4.7069 47
+  231.024 1.9035 19
+  231.949 0.4527 5
+  232.03 0.6018 6
+  248.953 5.6465 56
+  250.022 7.3442 73
+  250.951 5.46 55
+  251.03 6.7609 68
+  251.955 0.5005 5
+  252.034 0.7056 7
+  259.946 1.8654 19
+  260.95 0.217 2
+  261.944 1.836 18
+  262.948 0.2145 2
+  269.021 2.4552 25
+  270.029 16.6603 166
+  271.032 1.9332 19
+  278.944 4.3393 43
+  279.946 0.6233 6
+  280.942 4.3081 43
+  281.946 0.5219 5
+  298.951 22.3068 223
+  299.955 2.3257 23
+  300.949 21.6929 217
+  301.706 0.1144 1
+  301.952 2.2571 23
+  302.956 0.1484 1
+  309.943 0.6214 6
+  311.942 0.6079 6
+  319.018 0.5115 5
+  320.025 10.0388 100
+  321.029 1.2526 13
+  328.941 0.3806 4
+  330.939 0.3794 4
+  339.027 0.8263 8
+  340.031 0.3601 4
+  348.951 0.7214 7
+  350.949 0.6938 7
+  378.937 2.5471 25
+  379.94 0.3147 3
+  380.935 2.5132 25
+  381.939 0.3183 3
+  398.943 0.2041 2
+  400.941 0.2024 2
+  417.942 72.3417 723
+  418.945 9.277 93
+  419.94 70.9937 709
+  420.943 8.9627 90
+  421.946 0.533 5
+  422.473 0.1183 1
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ02416.txt b/MSSJ/MSBNK-MSSJ-MSJ02416.txt
new file mode 100644
index 00000000000..5072c74d45f
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ02416.txt
@@ -0,0 +1,183 @@
+ACCESSION: MSBNK-MSSJ-MSJ02416
+RECORD_TITLE: (E)-4-(1,1,1,4,4,4-hexafluorobuten-2-yl)benzaldehyde; GC-EI-TOF; MS; POSITIVE; 70 V
+DATE: 2023.10.01
+AUTHORS: Eiyu Imai, Molecular Structure Characterization Unit, RIKEN, Japan
+LICENSE: CC BY
+COPYRIGHT: Eiyu Imai, Molecular Structure Characterization Unit, RIKEN, Japan
+PUBLICATION: Takuma Tagami, Yuma Aoki, Shintaro Kawamura and Mikiko Sodeoka; Org. Biomol. Chem., 2021, 19, 9148. DOI: 10.1039/d1ob01529j
+COMMENT: Original ID of the mass spectral data is A_2020929_tagami4MB/TT38_FC90-93_ei.xlsx
+COMMENT: JMS-T100GCV (JEOL, Akishima, Japan) is a reflectron time-of-flight (reTOF) mass spectrometer. Temperature of the ion-source and GC-transfer line were 200 C and 250 C, respectively. Resolving power (FWHM, nominal) was 7000.
+COMMENT: EI voltage was 70 V. Typical accuracy level expected was 5 ppm. The m/z value was adjusted with 317.9479.
+CH$NAME: (E)-4-(1,1,1,4,4,4-hexafluorobuten-2-yl)benzaldehyde
+CH$COMPOUND_CLASS: Non-natural compound
+CH$FORMULA: C11H6F6O
+CH$EXACT_MASS: 268.032284
+CH$SMILES: O=Cc1ccc(cc1)\C(=C/C(F)(F)F)C(F)(F)F
+CH$IUPAC: InChI=1S/C11H6F6O/c12-10(13,14)5-9(11(15,16)17)8-3-1-7(6-18)2-4-8/h1-6H/b9-5+
+CH$LINK: INCHIKEY CGLSSAHRYIWBFD-WEVVVXLNSA-N
+AC$INSTRUMENT: JMS-T100GCV (JEOL, Akishima, Japan) coupled to Agilent 7890A (Santa Clara, CA, USA) gas chromatograph.
+AC$INSTRUMENT_TYPE: GC-EI-TOF
+AC$MASS_SPECTROMETRY: MS_TYPE MS
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION EI
+AC$CHROMATOGRAPHY: CARRIER_GAS He, flow rate 1 ml/min
+AC$CHROMATOGRAPHY: COLUMN_NAME DB-5MS 122-5532 USA360633H (Agilent, Wilmington, USA) with the length 30.0 m, I.D. 0.25 mm, and thickness 0.25 micrometer.
+AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE Initial oven temperature at 70 C for 4 min and ramped at the rate of 30 C/min to 325 C and held at the final temperature for 1.5 min.
+AC$CHROMATOGRAPHY: INJECTION_TEMPERATURE 250 C
+AC$CHROMATOGRAPHY: RETENTION_TIME 6.23 min
+PK$SPLASH: splash10-014i-2936000000-ab9dff0938573e4e5af2
+PK$NUM_PEAK: 152
+PK$PEAK: m/z int. rel.int.
+  27.024 0.4312 4
+  28.006 0.4364 4
+  30.999 0.6117 6
+  37.008 0.4465 4
+  38.016 0.8924 9
+  39.024 1.905 19
+  49.008 0.5255 5
+  50.016 5.8969 59
+  51.024 4.6691 47
+  52.029 0.3133 3
+  56.007 0.21 2
+  57.014 1.0835 11
+  60.019 0.701 7
+  61.008 1.1936 12
+  62.016 2.6155 26
+  63.024 2.2525 23
+  68.007 0.4045 4
+  68.996 8.7904 88
+  70.022 0.4577 5
+  73.008 0.8572 9
+  74.016 8.8109 88
+  74.083 0.1301 1
+  75.023 10.4649 105
+  75.518 1.2692 13
+  76.03 1.7992 18
+  77.038 0.5474 5
+  78.919 0.3451 3
+  80.007 0.6033 6
+  80.917 0.3412 3
+  81.014 2.5315 25
+  82.019 0.2004 2
+  84.009 0.3357 3
+  84.514 0.8695 9
+  85.013 0.8763 9
+  86.016 0.8752 9
+  87.023 0.8667 9
+  88.017 0.3777 4
+  92.007 0.6106 6
+  93.007 1.0388 10
+  94.02 1.4825 15
+  94.517 0.8627 9
+  95.028 0.8327 8
+  96.037 0.2071 2
+  97.008 0.2902 3
+  98.016 2.4059 24
+  99.015 2.8842 29
+  100.024 1.5334 15
+  101.039 5.2634 53
+  102.043 0.4532 5
+  104.006 0.3609 4
+  105.014 0.74 7
+  106.021 0.3335 3
+  107.03 0.4365 4
+  109.008 0.3011 3
+  110.016 0.4574 5
+  111.006 0.3283 3
+  112.013 0.6216 6
+  113.007 0.307 3
+  116.934 0.2038 2
+  117.009 0.2261 2
+  118.021 0.3839 4
+  118.932 0.1981 2
+  119.022 2.1276 21
+  119.515 0.1939 2
+  120.038 9.0371 90
+  121.041 0.7355 7
+  123.005 1.3481 13
+  124.012 0.9445 9
+  124.477 1.2121 12
+  125.021 1.5948 16
+  125.476 1.1911 12
+  126.027 0.3822 4
+  127.036 0.2931 3
+  128.918 0.2904 3
+  129.925 0.1809 2
+  130.005 0.1765 2
+  130.916 0.2787 3
+  131.03 0.9171 9
+  132.035 0.3891 4
+  137.019 0.4241 4
+  138.029 1.357 14
+  139.035 0.3308 3
+  142.004 0.1921 2
+  143.011 2.9064 29
+  144.018 0.6198 6
+  145.027 2.4993 25
+  149.021 3.2179 32
+  149.475 0.4378 4
+  150.028 4.0499 40
+  150.474 0.4534 5
+  151.036 23.0728 230
+  152.04 2.2471 22
+  156.019 0.2627 3
+  162.012 0.1531 2
+  163.018 0.5264 5
+  167.012 0.408 4
+  168.019 1.1345 11
+  169.027 60.1361 601
+  169.493 0.1528 2
+  169.624 0.237 2
+  170.035 100 999
+  170.624 0.4292 4
+  171.038 9.6114 96
+  171.602 0.2772 3
+  172.043 0.5588 6
+  172.587 0.1485 1
+  173.073 0.1172 1
+  173.949 0.3642 4
+  175.946 0.3388 3
+  179.958 0.8302 8
+  180.018 0.1616 2
+  181.956 0.8143 8
+  187.018 1.7989 18
+  188.025 0.989 10
+  189.033 3.5418 35
+  190.037 0.3226 3
+  197.949 0.181 2
+  199.017 0.2214 2
+  199.947 0.1803 2
+  200.025 1.289 13
+  201.031 0.2876 3
+  218.016 0.7314 7
+  219.024 21.278 213
+  220.031 23.4519 234
+  220.741 0.1233 1
+  221.035 2.3288 23
+  222.039 0.189 2
+  228.947 5.3576 54
+  229.95 0.4902 5
+  230.945 5.2618 53
+  231.948 0.4852 5
+  238.022 0.5306 5
+  239.032 10.7202 107
+  240.036 1.5287 15
+  246.937 0.2627 3
+  248.954 15.7325 157
+  249.957 1.4878 15
+  250.952 15.2119 152
+  251.955 1.4185 14
+  278.944 0.4782 5
+  280.942 0.4666 5
+  298.949 1.0011 10
+  300.948 0.9444 9
+  317.948 90.3847 903
+  318.951 9.5307 95
+  319.431 0.2275 2
+  319.946 88.5367 884
+  320.949 9.2962 93
+  321.433 0.2976 3
+  321.954 0.5275 5
+  322.779 0.1592 2
+  323.453 0.1194 1
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ02417.txt b/MSSJ/MSBNK-MSSJ-MSJ02417.txt
new file mode 100644
index 00000000000..4deb1188418
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ02417.txt
@@ -0,0 +1,169 @@
+ACCESSION: MSBNK-MSSJ-MSJ02417
+RECORD_TITLE: (E)-4-(1,1,1,2,2,5,5,6,6,6-decafluorohexen-3-yl)benzyl 2,2,3,3,3-pentafluoropropanoate; GC-EI-TOF; MS; POSITIVE; 70 V
+DATE: 2023.10.01
+AUTHORS: Eiyu Imai, Molecular Structure Characterization Unit, RIKEN, Japan
+LICENSE: CC BY
+COPYRIGHT: Eiyu Imai, Molecular Structure Characterization Unit, RIKEN, Japan
+PUBLICATION: Takuma Tagami, Yuma Aoki, Shintaro Kawamura and Mikiko Sodeoka; Org. Biomol. Chem., 2021, 19, 9148. DOI: 10.1039/d1ob01529j
+COMMENT: Original ID of the mass spectral data is A_2020929_tagami4MB/TT39_FC68-72_ei.xlsx
+COMMENT: JMS-T100GCV (JEOL, Akishima, Japan) is a reflectron time-of-flight (reTOF) mass spectrometer. Temperature of the ion-source and GC-transfer line were 200 C and 250 C, respectively. Resolving power (FWHM, nominal) was 7000.
+COMMENT: EI voltage was 70 V. Typical accuracy level expected was 5 ppm. The m/z value was adjusted with 516.02065.
+CH$NAME: (E)-4-(1,1,1,2,2,5,5,6,6,6-decafluorohexen-3-yl)benzyl 2,2,3,3,3-pentafluoropropanoate
+CH$COMPOUND_CLASS: Non-natural compound
+CH$FORMULA: C16H7F15O2
+CH$EXACT_MASS: 516.201628
+CH$SMILES: FC(F)(F)C(F)(F)/C=C(\c1ccc(COC(=O)C(F)(F)C(F)(F)F)cc1)C(F)(F)C(F)(F)F
+CH$IUPAC: InChI=1S/C16H7F15O2/c17-11(18,14(23,24)25)5-9(12(19,20)15(26,27)28)8-3-1-7(2-4-8)6-33-10(32)13(21,22)16(29,30)31/h1-5H,6H2/b9-5+
+CH$LINK: INCHIKEY MUESGGHSNOTUKV-WEVVVXLNSA-N
+AC$INSTRUMENT: JMS-T100GCV (JEOL, Akishima, Japan) coupled to Agilent 7890A (Santa Clara, CA, USA) gas chromatograph.
+AC$INSTRUMENT_TYPE: GC-EI-TOF
+AC$MASS_SPECTROMETRY: MS_TYPE MS
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION EI
+AC$CHROMATOGRAPHY: CARRIER_GAS He, flow rate 1 ml/min
+AC$CHROMATOGRAPHY: COLUMN_NAME DB-5MS 122-5532 USA360633H (Agilent, Wilmington, USA) with the length 30.0 m, I.D. 0.25 mm, and thickness 0.25 micrometer.
+AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE Initial oven temperature at 70 C for 4 min and ramped at the rate of 30 C/min to 325 C and held at the final temperature for 1.5 min.
+AC$CHROMATOGRAPHY: INJECTION_TEMPERATURE 250 C
+AC$CHROMATOGRAPHY: RETENTION_TIME 6.89 min
+PK$SPLASH: splash10-0uxr-1539010000-3985077740cb56bcc854
+PK$NUM_PEAK: 138
+PK$PEAK: m/z int. rel.int.
+  28.006 0.3976 4
+  29.003 0.425 4
+  30.999 0.5392 5
+  39.024 0.7276 7
+  43.991 0.3377 3
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+  50.016 0.4267 4
+  51.024 0.9015 9
+  62.016 0.34 3
+  63.024 1.2383 12
+  65.04 0.5363 5
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+  77.04 0.5502 5
+  78.047 0.2662 3
+  81.015 0.2353 2
+  82.023 0.4339 4
+  87.024 0.2855 3
+  88.029 0.2348 2
+  89.04 1.3661 14
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+  99.009 0.3075 3
+  99.994 0.7227 7
+  101.027 0.3765 4
+  102.047 0.3506 4
+  103.055 0.2057 2
+  106.517 0.2273 2
+  107.027 0.2464 2
+  107.524 0.2269 2
+  109.046 0.3161 3
+  112.013 0.2081 2
+  113.037 0.3181 3
+  114.046 0.6009 6
+  115.055 15.7789 158
+  116.059 1.574 16
+  117.023 0.2716 3
+  118.992 11.8099 118
+  119.996 0.2839 3
+  120.038 0.3329 3
+  125.031 0.4195 4
+  126.044 0.1687 2
+  127.037 0.4406 4
+  131.031 0.1761 2
+  132.033 0.2028 2
+  133.046 2.106 21
+  134.05 0.2731 3
+  137.011 0.1186 1
+  138.029 0.3714 4
+  140.044 0.3185 3
+  142.022 1.5683 16
+  142.524 0.2052 2
+  143.028 0.3119 3
+  144.038 0.4084 4
+  145.045 1.154 12
+  146.053 2.5293 25
+  146.987 0.9577 10
+  147.057 0.3104 3
+  149.006 0.3795 4
+  150.026 0.2059 2
+  151.036 4.0245 40
+  152.041 0.5713 6
+  153.051 0.1703 2
+  157.036 0.1228 1
+  162.028 0.1701 2
+  163.035 0.5615 6
+  164.044 17.6502 176
+  165.051 12.6601 126
+  166.055 1.3362 13
+  169.027 1.1266 11
+  170.032 0.1996 2
+  171.042 0.2682 3
+  175.036 0.6 6
+  177.051 0.3453 3
+  181.025 0.1713 2
+  182.034 3.9342 39
+  183.042 2.7362 27
+  184.047 0.4274 4
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+  193.027 0.3545 4
+  195.042 4.626 46
+  196.049 1.4516 15
+  200.025 2.0949 21
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+  214.041 7.0778 71
+  215.048 5.7224 57
+  216.051 0.6422 6
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+  225.032 0.218 2
+  231.024 0.3852 4
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+  233.038 12.5382 125
+  234.045 3.8407 38
+  235.051 0.4344 4
+  245.038 0.5034 5
+  250.021 1.5072 15
+  251.028 0.7498 7
+  252.034 0.1777 2
+  253.032 0.1914 2
+  263.03 5.0376 50
+  264.036 1.7294 17
+  265.044 1.139 11
+  266.048 0.1902 2
+  269.02 0.2855 3
+  281.021 0.3217 3
+  282.028 0.2826 3
+  283.036 10.1211 101
+  284.041 2.0341 20
+  285.046 0.1961 2
+  301.026 0.4548 5
+  313.025 0.1493 1
+  333.031 16.8443 168
+  334.034 2.5173 25
+  335.039 0.185 2
+  351.021 0.3111 3
+  352.029 10.3732 104
+  353.037 100 999
+  354.04 15.0189 150
+  354.314 0.1115 1
+  354.609 0.2572 3
+  355.044 1.0017 10
+  356.035 0.1625 2
+  367.016 1.4374 14
+  368.021 0.2866 3
+  369.033 4.9933 50
+  370.037 0.7492 7
+  371.032 0.1922 2
+  397.029 0.7807 8
+  487.016 0.2961 3
+  488.026 0.1666 2
+  516.017 23.0955 231
+  517.02 4.3363 43
+  518.022 0.5138 5
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ02418.txt b/MSSJ/MSBNK-MSSJ-MSJ02418.txt
new file mode 100644
index 00000000000..f345900d8a1
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ02418.txt
@@ -0,0 +1,203 @@
+ACCESSION: MSBNK-MSSJ-MSJ02418
+RECORD_TITLE: (E)-1-bromo-2-(1,1,1,2,2,3,3,6,6,7,7,8,8,8-tetradecafluoroocten-4-yl)benzene; GC-EI-TOF; MS; POSITIVE; 70 V
+DATE: 2023.10.01
+AUTHORS: Eiyu Imai, Molecular Structure Characterization Unit, RIKEN, Japan
+LICENSE: CC BY
+COPYRIGHT: Eiyu Imai, Molecular Structure Characterization Unit, RIKEN, Japan
+PUBLICATION: Takuma Tagami, Yuma Aoki, Shintaro Kawamura and Mikiko Sodeoka; Org. Biomol. Chem., 2021, 19, 9148. DOI: 10.1039/d1ob01529j
+COMMENT: Original ID of the mass spectral data is A_2020929_tagami4MB/TT42_FC6-12_ei.xlsx
+COMMENT: JMS-T100GCV (JEOL, Akishima, Japan) is a reflectron time-of-flight (reTOF) mass spectrometer. Temperature of the ion-source and GC-transfer line were 200 C and 250 C, respectively. Resolving power (FWHM, nominal) was 7000.
+COMMENT: EI voltage was 70 V. Typical accuracy level expected was 5 ppm. The m/z value was adjusted with 517.93511.
+CH$NAME: (E)-1-bromo-2-(1,1,1,2,2,3,3,6,6,7,7,8,8,8-tetradecafluoroocten-4-yl)benzene
+CH$COMPOUND_CLASS: Non-natural compound
+CH$FORMULA: C14H5BrF14
+CH$EXACT_MASS: 519.0711448
+CH$SMILES: Brc1ccccc1\C(=C/C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F
+CH$IUPAC: InChI=1S/C14H5BrF14/c15-8-4-2-1-3-6(8)7(10(18,19)12(22,23)14(27,28)29)5-9(16,17)11(20,21)13(24,25)26/h1-5H/b7-5+
+CH$LINK: INCHIKEY LBSSYAADOXCHFG-FNORWQNLSA-N
+AC$INSTRUMENT: JMS-T100GCV (JEOL, Akishima, Japan) coupled to Agilent 7890A (Santa Clara, CA, USA) gas chromatograph.
+AC$INSTRUMENT_TYPE: GC-EI-TOF
+AC$MASS_SPECTROMETRY: MS_TYPE MS
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION EI
+AC$CHROMATOGRAPHY: CARRIER_GAS He, flow rate 1 ml/min
+AC$CHROMATOGRAPHY: COLUMN_NAME DB-5MS 122-5532 USA360633H (Agilent, Wilmington, USA) with the length 30.0 m, I.D. 0.25 mm, and thickness 0.25 micrometer.
+AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE Initial oven temperature at 70 C for 4 min and ramped at the rate of 30 C/min to 325 C and held at the final temperature for 1.5 min.
+AC$CHROMATOGRAPHY: INJECTION_TEMPERATURE 250 C
+AC$CHROMATOGRAPHY: RETENTION_TIME 6.83 min
+PK$SPLASH: splash10-0uxr-1944060000-70c1c0a8ddec3c9c5992
+PK$NUM_PEAK: 172
+PK$PEAK: m/z int. rel.int.
+  28.007 0.3778 4
+  30.999 0.4974 5
+  39.024 0.7151 7
+  50.017 1.5887 16
+  51.024 1.3242 13
+  57.015 0.3484 3
+  62.017 0.7234 7
+  63.025 1.0253 10
+  68.996 8.6062 86
+  69.059 0.1189 1
+  74.017 2.3545 24
+  75.024 3.4003 34
+  75.519 0.7579 8
+  76.031 0.7545 8
+  77.039 0.3149 3
+  81.015 0.7602 8
+  86.017 0.4524 5
+  87.024 0.5052 5
+  88.018 0.2287 2
+  91.019 0.6293 6
+  93.01 0.2183 2
+  95.03 0.2051 2
+  98.017 0.4827 5
+  99.008 1.1568 12
+  100.007 0.9516 10
+  101.04 3.2733 33
+  102.044 0.309 3
+  105.015 0.6452 6
+  106.02 0.4618 5
+  107.03 0.2065 2
+  111.021 0.3101 3
+  112.014 0.6453 6
+  113.004 0.565 6
+  118.993 2.6282 26
+  120.039 0.6071 6
+  123.007 0.5143 5
+  124.014 0.8374 8
+  125.021 1.3608 14
+  126.029 0.4192 4
+  130.008 0.1663 2
+  131.031 1.6241 16
+  132.038 1.6426 16
+  133.044 0.2455 2
+  137.01 0.23 2
+  138.029 0.5372 5
+  143.026 0.5442 5
+  144.036 0.2169 2
+  145.028 1.6115 16
+  149.022 1.0512 11
+  150.029 3.4832 35
+  151.037 100 999
+  151.599 0.3395 3
+  152.041 9.7515 97
+  152.526 0.2057 2
+  153.044 0.5125 5
+  153.46 0.1106 1
+  154.95 0.1593 2
+  155.007 0.1814 2
+  156.02 0.3154 3
+  161.022 0.9932 10
+  162.029 1.1101 11
+  163.035 0.5902 6
+  169.028 3.9999 40
+  170.035 1.3072 13
+  174.013 0.2261 2
+  175.025 0.1647 2
+  179.959 1.2098 12
+  180.02 0.6699 7
+  181.028 2.1998 22
+  181.957 1.2033 12
+  182.036 16.8386 168
+  183.039 1.7999 18
+  187.019 0.6361 6
+  188.025 0.1825 2
+  193.028 0.8778 9
+  194.032 0.1616 2
+  199.018 0.3103 3
+  199.473 0.2735 3
+  200.026 8.9452 89
+  200.472 0.2768 3
+  201.034 30.0263 300
+  201.665 0.1155 1
+  201.737 0.1229 1
+  202.038 3.1317 31
+  204.947 0.3115 3
+  205.009 0.2103 2
+  206.946 0.2895 3
+  207.026 0.1792 2
+  210.957 0.3792 4
+  211.019 0.826 8
+  212.026 0.4538 5
+  212.955 0.3761 4
+  213.034 2.1159 21
+  214.038 0.2363 2
+  218.017 0.1825 2
+  219.025 1.24 12
+  220.032 0.4467 4
+  228.948 1.4123 14
+  229.953 0.242 2
+  230.946 1.3991 14
+  231.025 6.671 67
+  231.952 0.2395 2
+  232.032 3.5009 35
+  233.036 0.3462 3
+  242.017 0.1576 2
+  243.023 0.1774 2
+  249.015 0.5354 5
+  250.023 3.6325 36
+  250.952 0.2268 2
+  251.031 4.1164 41
+  252.034 0.431 4
+  259.946 2.7134 27
+  260.951 0.3596 4
+  261.013 0.1492 1
+  261.944 2.6447 26
+  262.949 0.3572 4
+  263.029 0.1457 1
+  269.022 0.7795 8
+  270.033 4.8309 48
+  271.037 0.6933 7
+  278.945 0.5104 5
+  279.948 0.2419 2
+  280.943 0.5123 5
+  281.022 0.9844 10
+  281.949 0.194 2
+  282.028 0.4117 4
+  290.945 0.4336 4
+  292.943 0.427 4
+  299.012 0.1488 1
+  300.02 2.0947 21
+  301.028 11.4136 114
+  302.031 1.4154 14
+  309.943 0.7208 7
+  310.941 0.1773 2
+  311.941 0.71 7
+  319.018 1.4014 14
+  320.026 24.0761 241
+  321.03 3.2063 32
+  322.034 0.22 2
+  328.941 1.6936 17
+  329.944 0.2354 2
+  330.939 1.6641 17
+  331.943 0.2215 2
+  348.948 14.2888 143
+  349.951 1.6631 17
+  350.946 13.9921 140
+  351.949 1.6341 16
+  359.94 0.3037 3
+  361.938 0.3023 3
+  378.938 0.4554 5
+  380.936 0.449 4
+  398.948 1.4235 14
+  400.014 1.0455 10
+  400.946 1.406 14
+  401.949 0.1789 2
+  409.937 0.2753 3
+  411.934 0.2648 3
+  419.012 0.1653 2
+  420.02 8.1586 82
+  421.023 1.2381 12
+  439.022 0.197 2
+  440.025 0.359 4
+  478.931 0.4622 5
+  480.929 0.4544 5
+  498.936 0.2472 2
+  500.934 0.2403 2
+  517.935 50.3165 503
+  518.939 7.4605 75
+  519.933 49.2855 492
+  520.937 7.3249 73
+  521.939 0.5809 6
+  522.631 0.1294 1
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ02419.txt b/MSSJ/MSBNK-MSSJ-MSJ02419.txt
new file mode 100644
index 00000000000..d0220756593
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ02419.txt
@@ -0,0 +1,153 @@
+ACCESSION: MSBNK-MSSJ-MSJ02419
+RECORD_TITLE: (E)-1-(1,1,1,4,4,4-hexafluorobuten-2-yl)-4-methoxybenzene; GC-EI-TOF; MS; POSITIVE; 70 V
+DATE: 2023.10.01
+AUTHORS: Eiyu Imai, Molecular Structure Characterization Unit, RIKEN, Japan
+LICENSE: CC BY
+COPYRIGHT: Eiyu Imai, Molecular Structure Characterization Unit, RIKEN, Japan
+PUBLICATION: Takuma Tagami, Yuma Aoki, Shintaro Kawamura and Mikiko Sodeoka; Org. Biomol. Chem., 2021, 19, 9148. DOI: 10.1039/d1ob01529j
+COMMENT: Original ID of the mass spectral data is A_2020929_tagami4MB/TT50_FC69-82_PLCs1_ei.xlsx
+COMMENT: JMS-T100GCV (JEOL, Akishima, Japan) is a reflectron time-of-flight (reTOF) mass spectrometer. Temperature of the ion-source and GC-transfer line were 200 C and 250 C, respectively. Resolving power (FWHM, nominal) was 7000.
+COMMENT: EI voltage was 70 V. Typical accuracy level expected was 5 ppm. The m/z value was adjusted with 270.04793.
+CH$NAME: (E)-1-(1,1,1,4,4,4-hexafluorobuten-2-yl)-4-methoxybenzene
+CH$COMPOUND_CLASS: Non-natural compound
+CH$FORMULA: C11H8F6O
+CH$EXACT_MASS: 270.047934
+CH$SMILES: COc1ccc(cc1)\C(=C/C(F)(F)F)C(F)(F)F
+CH$IUPAC: InChI=1S/C11H8F6O/c1-18-8-4-2-7(3-5-8)9(11(15,16)17)6-10(12,13)14/h2-6H,1H3/b9-6+
+CH$LINK: INCHIKEY VIMWVBRFZOEKKP-RMKNXTFCSA-N
+AC$INSTRUMENT: JMS-T100GCV (JEOL, Akishima, Japan) coupled to Agilent 7890A (Santa Clara, CA, USA) gas chromatograph.
+AC$INSTRUMENT_TYPE: GC-EI-TOF
+AC$MASS_SPECTROMETRY: MS_TYPE MS
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION EI
+AC$CHROMATOGRAPHY: CARRIER_GAS He, flow rate 1 ml/min
+AC$CHROMATOGRAPHY: COLUMN_NAME DB-5MS 122-5532 USA360633H (Agilent, Wilmington, USA) with the length 30.0 m, I.D. 0.25 mm, and thickness 0.25 micrometer.
+AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE Initial oven temperature at 70 C for 4 min and ramped at the rate of 30 C/min to 325 C and held at the final temperature for 1.5 min.
+AC$CHROMATOGRAPHY: INJECTION_TEMPERATURE 250 C
+AC$CHROMATOGRAPHY: RETENTION_TIME 6.39 min
+PK$SPLASH: splash10-0fk9-1590000000-0e663984d80954f93f62
+PK$NUM_PEAK: 122
+PK$PEAK: m/z int. rel.int.
+  28.007 0.4467 4
+  38.016 0.5797 6
+  39.024 1.8597 19
+  50.016 1.9953 20
+  51.024 1.7311 17
+  53.004 0.6931 7
+  57.015 1.2307 12
+  61.009 0.4913 5
+  62.016 2.137 21
+  63.024 5.5446 55
+  64.031 0.8568 9
+  68.996 4.1332 41
+  74.016 1.621 16
+  75.015 1.888 19
+  76.031 0.4589 5
+  77.03 0.7676 8
+  81.015 2.211 22
+  83.031 0.7047 7
+  85.015 0.2942 3
+  86.017 0.3957 4
+  87.024 1.226 12
+  88.017 0.7014 7
+  89.04 4.1779 42
+  90.044 0.3436 3
+  92.027 0.4211 4
+  93.011 0.3898 4
+  94.022 0.436 4
+  95.012 1.3501 13
+  98.017 0.3864 4
+  99.012 1.0445 10
+  100.022 0.7991 8
+  100.527 1.7259 17
+  101.026 1.1705 12
+  102.048 0.7584 8
+  103.055 0.3917 4
+  105.015 0.2635 3
+  106.013 0.1678 2
+  107.031 1.8625 19
+  108.038 1.1457 11
+  109.045 0.4182 4
+  110.026 0.3641 4
+  111.014 0.2113 2
+  112.013 0.8323 8
+  113.012 0.8119 8
+  114.029 0.6164 6
+  117.035 3.1677 32
+  118.036 0.4063 4
+  119.029 2.1481 21
+  120.038 1.7676 18
+  121.044 0.2744 3
+  125.021 0.7797 8
+  125.526 0.4849 5
+  126.029 0.3313 3
+  127.037 2.8952 29
+  131.013 0.5002 5
+  132.058 4.9431 49
+  133.048 3.0648 31
+  134.052 0.3961 4
+  135.025 0.9523 10
+  137.021 2.5206 25
+  138.029 5.768 58
+  139.036 3.2051 32
+  140.041 0.3031 3
+  143.011 0.6043 6
+  145.028 0.9763 10
+  149.026 0.4921 5
+  150.027 0.3409 3
+  151.037 6.3046 63
+  152.041 0.8027 8
+  153.053 0.3959 4
+  156.02 0.7958 8
+  157.028 3.0118 30
+  158.035 6.9467 69
+  159.039 0.7624 8
+  163.019 1.0009 10
+  166.025 2.486 25
+  167.032 2.3292 23
+  168.031 0.3291 3
+  169.027 9.1431 91
+  170.033 1.8507 18
+  171.043 3.1669 32
+  172.047 0.3622 4
+  173.058 0.2543 3
+  176.026 0.6994 7
+  177.034 4.8899 49
+  178.037 0.4642 5
+  181.048 24.8522 248
+  182.052 3.1362 31
+  183.05 0.4226 4
+  184.18 0.2441 2
+  185.022 1.0503 10
+  186.03 2.6756 27
+  187.019 5.372 54
+  188.025 1.4296 14
+  189.033 0.7713 8
+  199.036 0.2509 3
+  200.041 0.7129 7
+  201.054 65.6797 656
+  201.705 0.2401 2
+  202.057 7.6797 77
+  203.06 0.5389 5
+  207.024 5.7965 58
+  208.029 0.9346 9
+  216.021 0.3116 3
+  219.025 1.75 17
+  220.038 0.3932 4
+  227.031 1.1921 12
+  231.045 4.6065 46
+  232.049 0.6221 6
+  235.019 0.4276 4
+  236.026 0.3208 3
+  239.03 0.513 5
+  240.039 1.0571 11
+  251.05 8.7159 87
+  252.053 1.1436 11
+  254.017 0.2792 3
+  255.025 0.6772 7
+  269.04 0.2974 3
+  270.048 100 999
+  270.804 0.3539 4
+  271.051 13.2435 132
+  272.054 1.1572 12
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ02420.txt b/MSSJ/MSBNK-MSSJ-MSJ02420.txt
new file mode 100644
index 00000000000..3e6b77f6deb
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ02420.txt
@@ -0,0 +1,319 @@
+ACCESSION: MSBNK-MSSJ-MSJ02420
+RECORD_TITLE: (E)-(1,1,1,2,2,3,3,6,6,7,7,8,8,8-tetradecafluorooct-4-en-4,5-diyl)dibenzene; GC-EI-TOF; MS; POSITIVE; 70 V
+DATE: 2023.10.01
+AUTHORS: Eiyu Imai, Molecular Structure Characterization Unit, RIKEN, Japan
+LICENSE: CC BY
+COPYRIGHT: Eiyu Imai, Molecular Structure Characterization Unit, RIKEN, Japan
+PUBLICATION: Takuma Tagami, Yuma Aoki, Shintaro Kawamura and Mikiko Sodeoka; Org. Biomol. Chem., 2021, 19, 9148. DOI: 10.1039/d1ob01529j
+COMMENT: Original ID of the mass spectral data is A_2020929_tagami4MB/TT73_FC30-39_GPCs2_ei.xlsx
+COMMENT: JMS-T100GCV (JEOL, Akishima, Japan) is a reflectron time-of-flight (reTOF) mass spectrometer. Temperature of the ion-source and GC-transfer line were 200 C and 250 C, respectively. Resolving power (FWHM, nominal) was 7000.
+COMMENT: EI voltage was 70 V. Typical accuracy level expected was 5 ppm. The m/z value was adjusted with 516.0559.
+CH$NAME: (E)-(1,1,1,2,2,3,3,6,6,7,7,8,8,8-tetradecafluorooct-4-en-4,5-diyl)dibenzene
+CH$COMPOUND_CLASS: Non-natural compound
+CH$FORMULA: C20H10F14
+CH$EXACT_MASS: 516.055895
+CH$SMILES: FC(F)(C(=C(/c1ccccc1)C(F)(F)C(F)(F)C(F)(F)F)\c1ccccc1)C(F)(F)C(F)(F)F
+CH$IUPAC: InChI=1S/C20H10F14/c21-15(22,17(25,26)19(29,30)31)13(11-7-3-1-4-8-11)14(12-9-5-2-6-10-12)16(23,24)18(27,28)20(32,33)34/h1-10H/b14-13+
+CH$LINK: INCHIKEY ARANIRNSBOUQHZ-BUHFOSPRSA-N
+AC$INSTRUMENT: JMS-T100GCV (JEOL, Akishima, Japan) coupled to Agilent 7890A (Santa Clara, CA, USA) gas chromatograph.
+AC$INSTRUMENT_TYPE: GC-EI-TOF
+AC$MASS_SPECTROMETRY: MS_TYPE MS
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION EI
+AC$CHROMATOGRAPHY: CARRIER_GAS He, flow rate 1 ml/min
+AC$CHROMATOGRAPHY: COLUMN_NAME DB-5MS 122-5532 USA360633H (Agilent, Wilmington, USA) with the length 30.0 m, I.D. 0.25 mm, and thickness 0.25 micrometer.
+AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE Initial oven temperature at 70 C for 4 min and ramped at the rate of 30 C/min to 325 C and held at the final temperature for 1.5 min.
+AC$CHROMATOGRAPHY: INJECTION_TEMPERATURE 250 C
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.64 min
+PK$SPLASH: splash10-00or-1795040000-9a510d567ec8b75d3008
+PK$NUM_PEAK: 288
+PK$PEAK: m/z int. rel.int.
+  27.022 0.3521 4
+  28.005 0.4407 4
+  30.997 0.3802 4
+  39.022 1.2382 12
+  50.015 1.3069 13
+  51.022 5.0096 50
+  52.029 0.4917 5
+  57.013 0.3148 3
+  62.015 0.4323 4
+  63.023 1.7567 18
+  65.038 0.2775 3
+  68.994 9.9757 100
+  70.021 0.1945 2
+  74.015 0.85 8
+  75.022 1.6583 17
+  75.526 0.2969 3
+  76.031 5.3607 54
+  76.532 0.5316 5
+  77.038 8.4025 84
+  78.045 1.8787 19
+  81.015 0.4085 4
+  83.028 0.2163 2
+  86.015 0.3482 3
+  87.022 0.7714 8
+  87.521 0.1925 2
+  88.03 2.2243 22
+  88.533 0.4034 4
+  89.038 5.0182 50
+  89.54 0.6422 6
+  90.522 0.2227 2
+  91.025 0.2038 2
+  91.53 0.7865 8
+  93.019 0.2936 3
+  93.526 0.2864 3
+  94.028 0.7888 8
+  94.534 0.4061 4
+  95.031 0.2483 2
+  96.036 0.6343 6
+  97.027 0.2036 2
+  98.021 0.394 4
+  99.014 0.7307 7
+  99.993 0.7389 7
+  100.525 1.0908 11
+  101.028 0.7963 8
+  102.045 0.6062 6
+  102.522 0.2035 2
+  103.024 0.7488 7
+  103.53 1.8498 18
+  104.033 1.3144 13
+  104.537 1.6102 16
+  105.038 0.2712 3
+  106.021 0.7731 8
+  107.029 0.6996 7
+  109.037 0.3452 3
+  109.527 0.2055 2
+  110.033 0.5947 6
+  111.021 0.2794 3
+  112.016 0.3339 3
+  112.525 0.772 8
+  113.031 0.8516 9
+  113.533 2.1494 21
+  114.036 1.703 17
+  114.538 0.2179 2
+  115.053 0.5057 5
+  116.024 1.4136 14
+  116.526 0.226 2
+  118.022 0.3496 3
+  118.524 0.2693 3
+  119.029 9.1644 92
+  119.531 2.132 21
+  120.036 0.7738 8
+  121.52 0.2216 2
+  123.019 0.2823 3
+  124.02 0.2791 3
+  125.023 0.8184 8
+  126.045 1.8697 19
+  127.035 11.7965 118
+  128.027 2.7171 27
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+  521.364 0.1199 1
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ02421.txt b/MSSJ/MSBNK-MSSJ-MSJ02421.txt
new file mode 100644
index 00000000000..6eb7b93808b
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ02421.txt
@@ -0,0 +1,320 @@
+ACCESSION: MSBNK-MSSJ-MSJ02421
+RECORD_TITLE: (Z)-(1,1,1,2,2,3,3,6,6,7,7,8,8,8-tetradecafluorooct-4-en-4,5-diyl)dibenzene; GC-EI-TOF; MS; POSITIVE; 70 V
+DATE: 2023.10.01
+AUTHORS: Eiyu Imai, Molecular Structure Characterization Unit, RIKEN, Japan
+LICENSE: CC BY
+COPYRIGHT: Eiyu Imai, Molecular Structure Characterization Unit, RIKEN, Japan
+PUBLICATION: Takuma Tagami, Yuma Aoki, Shintaro Kawamura and Mikiko Sodeoka; Org. Biomol. Chem., 2021, 19, 9148. DOI: 10.1039/d1ob01529j
+COMMENT: Original ID of the mass spectral data is A_2020929_tagami4MB/TT83_FC36-40_GPC2_ei.xlsx
+COMMENT: JMS-T100GCV (JEOL, Akishima, Japan) is a reflectron time-of-flight (reTOF) mass spectrometer. Temperature of the ion-source and GC-transfer line were 200 C and 250 C, respectively. Resolving power (FWHM, nominal) was 7000.
+COMMENT: EI voltage was 70 V. Typical accuracy level expected was 5 ppm. The m/z value was adjusted with 516.055895.
+CH$NAME: (Z)-(1,1,1,2,2,3,3,6,6,7,7,8,8,8-tetradecafluorooct-4-en-4,5-diyl)dibenzene
+CH$COMPOUND_CLASS: Non-natural compound
+CH$FORMULA: C20H10F14
+CH$EXACT_MASS: 516.055895
+CH$SMILES: FC(F)(C(=C(\c1ccccc1)C(F)(F)C(F)(F)C(F)(F)F)\c1ccccc1)C(F)(F)C(F)(F)F
+CH$IUPAC: InChI=1S/C20H10F14/c21-15(22,17(25,26)19(29,30)31)13(11-7-3-1-4-8-11)14(12-9-5-2-6-10-12)16(23,24)18(27,28)20(32,33)34/h1-10H/b14-13-
+CH$LINK: INCHIKEY ARANIRNSBOUQHZ-YPKPFQOOSA-N
+AC$INSTRUMENT: JMS-T100GCV (JEOL, Akishima, Japan) coupled to Agilent 7890A (Santa Clara, CA, USA) gas chromatograph.
+AC$INSTRUMENT_TYPE: GC-EI-TOF
+AC$MASS_SPECTROMETRY: MS_TYPE MS
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION EI
+AC$CHROMATOGRAPHY: CARRIER_GAS He, flow rate 1 ml/min
+AC$CHROMATOGRAPHY: COLUMN_NAME DB-5MS 122-5532 USA360633H (Agilent, Wilmington, USA) with the length 30.0 m, I.D. 0.25 mm, and thickness 0.25 micrometer.
+AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE Initial oven temperature at 70 C for 4 min and ramped at the rate of 30 C/min to 325 C and held at the final temperature for 1.5 min.
+AC$CHROMATOGRAPHY: INJECTION_TEMPERATURE 250 C
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.63 min
+PK$SPLASH: splash10-00or-1694040000-34bee5f56302452c7bec
+PK$NUM_PEAK: 289
+PK$PEAK: m/z int. rel.int.
+  27.023 0.3485 3
+  28.005 0.4146 4
+  30.998 0.4671 5
+  39.023 1.2418 12
+  50.015 1.1604 12
+  51.023 5.1681 52
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+  91.054 0.1771 2
+  91.53 0.9545 10
+  93.02 0.311 3
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+  94.029 0.8391 8
+  94.534 0.4995 5
+  95.033 0.2144 2
+  96.036 0.4392 4
+  97.026 0.1986 2
+  98.021 0.374 4
+  99.015 0.7172 7
+  99.993 0.8848 9
+  100.525 1.1149 11
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+  102.046 0.6409 6
+  102.522 0.2185 2
+  103.024 0.7768 8
+  103.53 2.0636 21
+  104.034 1.4442 14
+  104.537 2.289 23
+  105.039 0.3605 4
+  106.022 0.7856 8
+  107.029 0.6744 7
+  109.036 0.3261 3
+  109.528 0.2126 2
+  110.034 0.5965 6
+  111.021 0.2481 2
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+  112.525 0.8723 9
+  113.031 0.8914 9
+  113.533 2.1907 22
+  114.037 1.7422 17
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+  115.053 0.5476 5
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+  119.029 10.0205 100
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+  126.046 1.6719 17
+  127.035 12.5618 125
+  128.028 2.722 27
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+  129.032 4.6941 47
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+  130.035 0.152 2
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+  176.062 7.2463 72
+  177.069 5.2401 52
+  177.206 0.317 3
+  178.077 98.1176 980
+  178.689 0.3605 4
+  179.081 14.4506 144
+  179.689 0.2458 2
+  180.084 1.0597 11
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+  206.049 1.2109 12
+  207.061 10.8768 109
+  208.067 4.1295 41
+  209.076 27.6157 276
+  210.08 4.2696 43
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+  349.29 0.1256 1
+  350.05 0.1265 1
+  357.053 1.1831 12
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+  377.058 4.2918 43
+  378.066 11.6468 116
+  379.07 2.1524 22
+  380.072 0.2308 2
+  382.044 0.8137 8
+  383.048 0.1584 2
+  388.052 1.4284 14
+  389.055 0.2915 3
+  395.048 0.1727 2
+  396.055 0.2942 3
+  397.065 35.22 352
+  398.068 6.7097 67
+  398.711 0.1124 1
+  398.798 0.1112 1
+  399.071 0.5716 6
+  407.05 0.1782 2
+  408.057 0.572 6
+  419.014 0.2893 3
+  427.054 0.1886 2
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+  457.046 0.6725 7
+  458.049 0.1664 2
+  477.054 1.3603 14
+  478.059 0.4362 4
+  488.027 0.1713 2
+  497.057 2.6761 27
+  498.061 0.5502 5
+  501.034 12.3987 124
+  502.038 2.5674 26
+  503.048 0.3054 3
+  515.048 0.5279 5
+  516.056 100 999
+  517.06 21.6308 216
+  518.063 2.4543 25
+  518.83 0.291 3
+  519.683 0.2034 2
+  520.542 0.153 2
+  521.413 0.1179 1
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ02422.txt b/MSSJ/MSBNK-MSSJ-MSJ02422.txt
new file mode 100644
index 00000000000..66ff2ebbde2
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ02422.txt
@@ -0,0 +1,182 @@
+ACCESSION: MSBNK-MSSJ-MSJ02422
+RECORD_TITLE: 2-Methyl-5,6-bis(trifluoromethyl)hexahydro-1H-isoindole-1,3(2H)-dione; GC-EI-TOF; MS; POSITIVE; 70 V
+DATE: 2023.10.01
+AUTHORS: Eiyu Imai, Molecular Structure Characterization Unit, RIKEN, Japan
+LICENSE: CC BY
+COPYRIGHT: Eiyu Imai, Molecular Structure Characterization Unit, RIKEN, Japan
+PUBLICATION: Takuma Tagami, Yuma Aoki, Shintaro Kawamura and Mikiko Sodeoka; Org. Biomol. Chem., 2021, 19, 9148. DOI: 10.1039/d1ob01529j
+COMMENT: Original ID of the mass spectral data is A_2020929_tagami4MB/TT90_PLCs2_GPCs1_ei.xlsx
+COMMENT: JMS-T100GCV (JEOL, Akishima, Japan) is a reflectron time-of-flight (reTOF) mass spectrometer. Temperature of the ion-source and GC-transfer line were 200 C and 250 C, respectively. Resolving power (FWHM, nominal) was 7000.
+COMMENT: EI voltage was 70 V. Typical accuracy level expected was 5 ppm. The m/z value was adjusted with 303.069398.
+CH$NAME: 2-Methyl-5,6-bis(trifluoromethyl)hexahydro-1H-isoindole-1,3(2H)-dione
+CH$COMPOUND_CLASS: Non-natural compound
+CH$FORMULA: C11H11F6NO2
+CH$EXACT_MASS: 303.069398
+CH$SMILES: FC(F)(F)C1C[C@H]2[C@@H](CC1C(F)(F)F)C(=O)N(C)C2=O
+CH$IUPAC: InChI=1S/C11H11F6NO2/c1-18-8(19)4-2-6(10(12,13)14)7(11(15,16)17)3-5(4)9(18)20/h4-7H,2-3H2,1H3/t4-,5+,6?,7?
+CH$LINK: INCHIKEY KYADLZUDMNWGDX-DPTVFECHSA-N
+AC$INSTRUMENT: JMS-T100GCV (JEOL, Akishima, Japan) coupled to Agilent 7890A (Santa Clara, CA, USA) gas chromatograph.
+AC$INSTRUMENT_TYPE: GC-EI-TOF
+AC$MASS_SPECTROMETRY: MS_TYPE MS
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION EI
+AC$CHROMATOGRAPHY: CARRIER_GAS He, flow rate 1 ml/min
+AC$CHROMATOGRAPHY: COLUMN_NAME DB-5MS 122-5532 USA360633H (Agilent, Wilmington, USA) with the length 30.0 m, I.D. 0.25 mm, and thickness 0.25 micrometer.
+AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE Initial oven temperature at 70 C for 4 min and ramped at the rate of 30 C/min to 325 C and held at the final temperature for 1.5 min.
+AC$CHROMATOGRAPHY: INJECTION_TEMPERATURE 250 C
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.68 min
+PK$SPLASH: splash10-00kb-4931000000-33b69994360b7ffd0f10
+PK$NUM_PEAK: 151
+PK$PEAK: m/z int. rel.int.
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+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ02423.txt b/MSSJ/MSBNK-MSSJ-MSJ02423.txt
new file mode 100644
index 00000000000..f3566573a44
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ02423.txt
@@ -0,0 +1,215 @@
+ACCESSION: MSBNK-MSSJ-MSJ02423
+RECORD_TITLE: 3-Ethyl-N-(2-nitrophenyl)aniline; GC-EI-TOF; MS; POSITIVE; 70 V
+DATE: 2023.10.01
+AUTHORS: Eiyu Imai, Molecular Structure Characterization Unit, RIKEN, Japan
+LICENSE: CC BY
+COPYRIGHT: Eiyu Imai, Molecular Structure Characterization Unit, RIKEN, Japan
+PUBLICATION: Wei-Chih Wang, Kyohei Nakano, Daisuke Hashizume, Chain-Shu Hsu, and Keisuke Tajima; ACS Appl. Mater. Interfaces 2022, 14, 18773−18781. DOI:10.1021/acsami.2c03496.
+COMMENT: Original ID of the mass spectral data is A20210301-06_Wang4MB/m-1_ei.xlsx
+COMMENT: JMS-T100GCV (JEOL, Akishima, Japan) is a reflectron time-of-flight (reTOF) mass spectrometer. Temperature of the ion-source and GC-transfer line were 200 C and 250 C, respectively. Resolving power (FWHM, nominal) was 7000.
+COMMENT: EI voltage was 70 V. Typical accuracy level expected was 5 ppm. The m/z value was adjusted with 242.10552.
+CH$NAME: 3-Ethyl-N-(2-nitrophenyl)aniline
+CH$COMPOUND_CLASS: Non-natural compound
+CH$FORMULA: C14H14N2O2
+CH$EXACT_MASS: 242.105520
+CH$SMILES: [O-][N+](=O)c1ccccc1Nc1cccc(CC)c1
+CH$IUPAC: InChI=1S/C14H14N2O2/c1-2-11-6-5-7-12(10-11)15-13-8-3-4-9-14(13)16(17)18/h3-10,15H,2H2,1H3
+CH$LINK: INCHIKEY UPANLWLWBIVMKI-UHFFFAOYSA-N
+AC$INSTRUMENT: JMS-T100GCV (JEOL, Akishima, Japan) coupled to Agilent 7890A (Santa Clara, CA, USA) gas chromatograph.
+AC$INSTRUMENT_TYPE: GC-EI-TOF
+AC$MASS_SPECTROMETRY: MS_TYPE MS
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION EI
+AC$CHROMATOGRAPHY: CARRIER_GAS He, flow rate 1 ml/min
+AC$CHROMATOGRAPHY: COLUMN_NAME DB-5MS 122-5532 USA360633H (Agilent, Wilmington, USA) with the length 30.0 m, I.D. 0.25 mm, and thickness 0.25 micrometer.
+AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE Initial oven temperature at 70 C for 4 min and ramped at the rate of 30 C/min to 325 C and held at the final temperature for 1.5 min.
+AC$CHROMATOGRAPHY: INJECTION_TEMPERATURE 250 C
+AC$CHROMATOGRAPHY: RETENTION_TIME 11.56 min
+PK$SPLASH: splash10-00l6-3940000000-6fd9832aecdfb6d3720b
+PK$NUM_PEAK: 184
+PK$PEAK: m/z int. rel.int.
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+  27.996 0.3358 3
+  28.02 0.5597 6
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+  30 1.8709 19
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+  39.025 8.5543 85
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+  167.714 0.1906 2
+  168.079 31.9796 319
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+  170.083 3.7285 37
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+  242.106 100 999
+  242.825 0.3212 3
+  243.11 33.7622 337
+  244.114 4.2234 42
+  244.489 0.1574 2
+  245.116 0.4295 4
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ02424.txt b/MSSJ/MSBNK-MSSJ-MSJ02424.txt
new file mode 100644
index 00000000000..0b6b950fc5d
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ02424.txt
@@ -0,0 +1,168 @@
+ACCESSION: MSBNK-MSSJ-MSJ02424
+RECORD_TITLE: N1-(3-Ethylphenyl)benzene-1,2-diamine; GC-EI-TOF; MS; POSITIVE; 70 V
+DATE: 2023.10.01
+AUTHORS: Eiyu Imai, Molecular Structure Characterization Unit, RIKEN, Japan
+LICENSE: CC BY
+COPYRIGHT: Eiyu Imai, Molecular Structure Characterization Unit, RIKEN, Japan
+PUBLICATION: Wei-Chih Wang, Kyohei Nakano, Daisuke Hashizume, Chain-Shu Hsu, and Keisuke Tajima; ACS Appl. Mater. Interfaces 2022, 14, 18773−18781. DOI:10.1021/acsami.2c03496.
+COMMENT: Original ID of the mass spectral data is A20210301-06_Wang4MB/m-2_ei.xlsx
+COMMENT: JMS-T100GCV (JEOL, Akishima, Japan) is a reflectron time-of-flight (reTOF) mass spectrometer. Temperature of the ion-source and GC-transfer line were 200 C and 250 C, respectively. Resolving power (FWHM, nominal) was 7000.
+COMMENT: EI voltage was 70 V. Typical accuracy level expected was 5 ppm. The m/z value was adjusted with 212.13135.
+CH$NAME: N1-(3-Ethylphenyl)benzene-1,2-diamine
+CH$COMPOUND_CLASS: Non-natural compound
+CH$FORMULA: C14H16N2
+CH$EXACT_MASS: 212.131349
+CH$SMILES: CCc1cc(ccc1)Nc1ccccc1N
+CH$IUPAC: InChI=1S/C14H16N2/c1-2-11-6-5-7-12(10-11)16-14-9-4-3-8-13(14)15/h3-10,16H,2,15H2,1H3
+CH$LINK: INCHIKEY VDXUWDAXTOBWDW-UHFFFAOYSA-N
+AC$INSTRUMENT: JMS-T100GCV (JEOL, Akishima, Japan) coupled to Agilent 7890A (Santa Clara, CA, USA) gas chromatograph.
+AC$INSTRUMENT_TYPE: GC-EI-TOF
+AC$MASS_SPECTROMETRY: MS_TYPE MS
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION EI
+AC$CHROMATOGRAPHY: CARRIER_GAS He, flow rate 1 ml/min
+AC$CHROMATOGRAPHY: COLUMN_NAME DB-5MS 122-5532 USA360633H (Agilent, Wilmington, USA) with the length 30.0 m, I.D. 0.25 mm, and thickness 0.25 micrometer.
+AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE Initial oven temperature at 70 C for 4 min and ramped at the rate of 30 C/min to 325 C and held at the final temperature for 1.5 min.
+AC$CHROMATOGRAPHY: INJECTION_TEMPERATURE 250 C
+AC$CHROMATOGRAPHY: RETENTION_TIME 11.03 min
+PK$SPLASH: splash10-03e9-4940000000-cc6c31c48b16da54bf81
+PK$NUM_PEAK: 137
+PK$PEAK: m/z int. rel.int.
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+  212.131 100 999
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+  213.135 15.8816 159
+  213.869 0.2215 2
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+  214.419 0.1558 2
+  214.97 0.1117 1
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ02425.txt b/MSSJ/MSBNK-MSSJ-MSJ02425.txt
new file mode 100644
index 00000000000..4a9856c511a
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ02425.txt
@@ -0,0 +1,210 @@
+ACCESSION: MSBNK-MSSJ-MSJ02425
+RECORD_TITLE: 2-Ethyl-N-(2-nitrophenyl)aniline; GC-EI-TOF; MS; POSITIVE; 70 V
+DATE: 2023.10.01
+AUTHORS: Eiyu Imai, Molecular Structure Characterization Unit, RIKEN, Japan
+LICENSE: CC BY
+COPYRIGHT: Eiyu Imai, Molecular Structure Characterization Unit, RIKEN, Japan
+PUBLICATION: Wei-Chih Wang, Kyohei Nakano, Daisuke Hashizume, Chain-Shu Hsu, and Keisuke Tajima; ACS Appl. Mater. Interfaces 2022, 14, 18773−18781. DOI:10.1021/acsami.2c03496.
+COMMENT: Original ID of the mass spectral data is A20210301-06_Wang4MB/O-1_ei.xlsx
+COMMENT: JMS-T100GCV (JEOL, Akishima, Japan) is a reflectron time-of-flight (reTOF) mass spectrometer. Temperature of the ion-source and GC-transfer line were 200 C and 250 C, respectively. Resolving power (FWHM, nominal) was 7000.
+COMMENT: EI voltage was 70 V. Typical accuracy level expected was 5 ppm. The m/z value was adjusted with 242.10552.
+CH$NAME: 2-Ethyl-N-(2-nitrophenyl)aniline
+CH$COMPOUND_CLASS: Non-natural compound
+CH$FORMULA: C14H14N2O2
+CH$EXACT_MASS: 242.105520
+CH$SMILES: [O-][N+](=O)c1ccccc1Nc1ccccc1CC
+CH$IUPAC: InChI=1S/C14H14N2O2/c1-2-11-7-3-4-8-12(11)15-13-9-5-6-10-14(13)16(17)18/h3-10,15H,2H2,1H3
+CH$LINK: INCHIKEY MXJLUCHNRXBWME-UHFFFAOYSA-N
+AC$INSTRUMENT: JMS-T100GCV (JEOL, Akishima, Japan) coupled to Agilent 7890A (Santa Clara, CA, USA) gas chromatograph.
+AC$INSTRUMENT_TYPE: GC-EI-TOF
+AC$MASS_SPECTROMETRY: MS_TYPE MS
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION EI
+AC$CHROMATOGRAPHY: CARRIER_GAS He, flow rate 1 ml/min
+AC$CHROMATOGRAPHY: COLUMN_NAME DB-5MS 122-5532 USA360633H (Agilent, Wilmington, USA) with the length 30.0 m, I.D. 0.25 mm, and thickness 0.25 micrometer.
+AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE Initial oven temperature at 70 C for 4 min and ramped at the rate of 30 C/min to 325 C and held at the final temperature for 1.5 min.
+AC$CHROMATOGRAPHY: INJECTION_TEMPERATURE 250 C
+AC$CHROMATOGRAPHY: RETENTION_TIME 11.27 min
+PK$SPLASH: splash10-053u-3950000000-6a45cce16a4304c63ac4
+PK$NUM_PEAK: 179
+PK$PEAK: m/z int. rel.int.
+  27.025 5.2281 52
+  27.996 0.3837 4
+  28.02 0.7562 8
+  29.04 2.2212 22
+  30 2.7546 28
+  38.017 0.8543 9
+  39.025 9.2816 93
+  39.068 0.1401 1
+  40.031 0.9353 9
+  41.04 1.7663 18
+  42.036 0.2467 2
+  43.019 0.4605 5
+  50.017 4.1843 42
+  51.025 12.3497 123
+  52.031 3.264 33
+  53.04 3.2802 33
+  54.039 0.3314 3
+  55.02 0.3103 3
+  57.035 0.2832 3
+  62.017 1.1198 11
+  63.025 7.9979 80
+  63.089 0.1178 1
+  64.031 3.3829 34
+  65.04 7.8841 79
+  65.079 0.1231 1
+  65.102 0.1224 1
+  66.045 1.4915 15
+  67.053 0.3095 3
+  69.528 0.4023 4
+  70.032 0.262 3
+  70.53 0.6025 6
+  71.537 0.2905 3
+  74.017 1.088 11
+  75.024 2.8272 28
+  75.528 0.3627 4
+  76.032 5.7278 57
+  76.532 0.6624 7
+  77.04 32.3574 323
+  77.537 0.7701 8
+  78.046 7.0779 71
+  79.055 5.7123 57
+  79.112 0.1269 1
+  80.054 0.919 9
+  81.034 0.2732 3
+  81.07 0.2629 3
+  82.032 0.3695 4
+  82.531 0.5568 6
+  83.035 0.2278 2
+  83.538 3.5298 35
+  84.04 0.8256 8
+  87.024 0.5745 6
+  88.031 0.6265 6
+  89.039 7.8816 79
+  89.538 2.2386 22
+  90.042 7.5083 75
+  90.543 2.1231 21
+  91.054 8.3242 83
+  92.054 2.0622 21
+  93.059 1.1578 12
+  94.066 0.311 3
+  95.538 1.3001 13
+  96.04 0.4289 4
+  96.545 1.7919 18
+  97.046 0.7921 8
+  97.547 0.2452 2
+  99.024 0.1951 2
+  100.03 0.2004 2
+  101.04 1.6763 17
+  102.047 3.064 31
+  102.539 0.2096 2
+  103.051 7.3649 74
+  103.546 1.689 17
+  104.053 2.5056 25
+  105.07 1.3077 13
+  106.066 2.1035 21
+  107.054 0.6999 7
+  108.048 0.3433 3
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+  113.04 1.155 12
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+  118.066 3.2211 32
+  119.07 1.2727 13
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+  127.055 3.4565 35
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+  140.053 5.429 54
+  141.061 1.7467 17
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+  150.048 0.7755 8
+  151.055 3.7019 37
+  152.062 10.4902 105
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+  155.071 1.3677 14
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+  165.069 3.4126 34
+  166.067 11.1087 111
+  167.074 30.1058 301
+  168.079 14.8719 149
+  169.08 5.1538 51
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+  177.06 1.6204 16
+  178.067 7.1953 72
+  179.073 18.3159 183
+  180.081 100 999
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+  181.084 36.2626 362
+  181.697 0.3094 3
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+  183.085 2.5889 26
+  183.718 0.1243 1
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+  193.087 11.8375 118
+  194.096 18.8428 188
+  195.099 7.8599 79
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+  197.072 16.4054 164
+  198.077 3.4078 34
+  199.082 0.4343 4
+  205.077 2.2882 23
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+  206.216 0.5968 6
+  206.289 0.1285 1
+  207.092 75.2359 752
+  207.758 0.2561 3
+  208.098 29.1395 291
+  208.803 0.2107 2
+  209.104 6.1504 61
+  210.08 3.378 34
+  211.085 0.7448 7
+  212.127 0.1987 2
+  213.067 2.5522 25
+  214.072 0.6597 7
+  223.088 2.7647 28
+  224.092 0.7092 7
+  225.102 4.6919 47
+  226.106 1.1032 11
+  227.082 1.8324 18
+  228.086 0.4694 5
+  241.096 0.1616 2
+  242.106 89.0698 890
+  242.663 0.1908 2
+  242.789 0.2839 3
+  243.11 25.809 258
+  243.933 0.1808 2
+  244.113 3.1689 32
+  244.501 0.1351 1
+  245.117 0.3245 3
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ02426.txt b/MSSJ/MSBNK-MSSJ-MSJ02426.txt
new file mode 100644
index 00000000000..41de4f09b2e
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ02426.txt
@@ -0,0 +1,177 @@
+ACCESSION: MSBNK-MSSJ-MSJ02426
+RECORD_TITLE: N1-(2-Ethylphenyl)benzene-1,2-diamine; GC-EI-TOF; MS; POSITIVE; 70 V
+DATE: 2023.10.01
+AUTHORS: Eiyu Imai, Molecular Structure Characterization Unit, RIKEN, Japan
+LICENSE: CC BY
+COPYRIGHT: Eiyu Imai, Molecular Structure Characterization Unit, RIKEN, Japan
+PUBLICATION: Wei-Chih Wang, Kyohei Nakano, Daisuke Hashizume, Chain-Shu Hsu, and Keisuke Tajima; ACS Appl. Mater. Interfaces 2022, 14, 18773−18781. DOI:10.1021/acsami.2c03496.
+COMMENT: Original ID of the mass spectral data is A20210301-06_Wang4MB/O-2_ei.xlsx
+COMMENT: JMS-T100GCV (JEOL, Akishima, Japan) is a reflectron time-of-flight (reTOF) mass spectrometer. Temperature of the ion-source and GC-transfer line were 200 C and 250 C, respectively. Resolving power (FWHM, nominal) was 7000.
+COMMENT: EI voltage was 70 V. Typical accuracy level expected was 5 ppm. The m/z value was adjusted with 212.13135.
+CH$NAME: N1-(2-Ethylphenyl)benzene-1,2-diamine
+CH$COMPOUND_CLASS: Non-natural compound
+CH$FORMULA: C14H16N2
+CH$EXACT_MASS: 212.131349
+CH$SMILES: CCc1ccccc1Nc1ccccc1N
+CH$IUPAC: InChI=1S/C14H16N2/c1-2-11-7-3-5-9-13(11)16-14-10-6-4-8-12(14)15/h3-10,16H,2,15H2,1H3
+CH$LINK: INCHIKEY IVGIUOAWBIJLBR-UHFFFAOYSA-N
+AC$INSTRUMENT: JMS-T100GCV (JEOL, Akishima, Japan) coupled to Agilent 7890A (Santa Clara, CA, USA) gas chromatograph.
+AC$INSTRUMENT_TYPE: GC-EI-TOF
+AC$MASS_SPECTROMETRY: MS_TYPE MS
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION EI
+AC$CHROMATOGRAPHY: CARRIER_GAS He, flow rate 1 ml/min
+AC$CHROMATOGRAPHY: COLUMN_NAME DB-5MS 122-5532 USA360633H (Agilent, Wilmington, USA) with the length 30.0 m, I.D. 0.25 mm, and thickness 0.25 micrometer.
+AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE Initial oven temperature at 70 C for 4 min and ramped at the rate of 30 C/min to 325 C and held at the final temperature for 1.5 min.
+AC$CHROMATOGRAPHY: INJECTION_TEMPERATURE 250 C
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.89 min
+PK$SPLASH: splash10-01q9-4930000000-c5cfce6e4af053e88e30
+PK$NUM_PEAK: 146
+PK$PEAK: m/z int. rel.int.
+  27.023 3.5457 35
+  28.018 2.8545 29
+  29.039 2.445 24
+  30.034 0.6706 7
+  38.015 0.5673 6
+  39.023 8.5845 86
+  39.072 0.1173 1
+  40.03 0.7745 8
+  41.038 1.554 16
+  42.034 1.1332 11
+  50.015 1.4678 15
+  51.023 7.155 71
+  52.029 3.7098 37
+  53.038 6.1387 61
+  54.034 2.0715 21
+  55.041 0.1588 2
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+  63.023 3.9637 40
+  64.03 2.0988 21
+  65.038 13.8879 139
+  66.043 2.8625 29
+  67.044 0.5922 6
+  70.528 0.27 3
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+  74.015 0.3484 3
+  75.023 1.0669 11
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+  77.038 16.1458 161
+  77.535 0.2776 3
+  78.042 4.718 47
+  79.052 3.6134 36
+  80.049 14.4576 144
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+  89.037 3.9871 40
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+  91.051 9.2183 92
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+  97.546 4.9222 49
+  98.049 8.9652 90
+  98.552 2.1166 21
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+  105.069 4.3153 43
+  106.065 5.7321 57
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+  115.054 1.9058 19
+  116.051 1.1246 11
+  117.057 3.9289 39
+  118.064 6.8084 68
+  118.2 0.1272 1
+  119.07 5.1668 52
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+  121.084 1.9258 19
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+  143.07 1.1409 11
+  144.079 0.7028 7
+  145.082 0.5199 5
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+  151.053 1.5174 15
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+  153.063 1.4804 15
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+  155.067 1.2559 13
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+  180.08 75.9403 759
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+  181.696 0.2247 2
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+  182.694 0.2294 2
+  183.09 18.3562 183
+  183.712 0.1678 2
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+  194.096 14.9079 149
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+  196.102 3.9935 40
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+  197.769 0.1143 1
+  198.11 3.8916 39
+  199.113 0.2633 3
+  199.275 0.1234 1
+  199.351 0.1178 1
+  206.084 0.227 2
+  207.092 0.3325 3
+  208.1 0.2463 2
+  209.107 0.6861 7
+  210.115 0.3766 4
+  211.123 2.3368 23
+  212.131 100 999
+  212.652 0.1921 2
+  212.803 0.3322 3
+  213.135 15.7082 157
+  213.867 0.225 2
+  214.138 1.0965 11
+  214.411 0.1628 2
+  214.965 0.12 1
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ02427.txt b/MSSJ/MSBNK-MSSJ-MSJ02427.txt
new file mode 100644
index 00000000000..2b3e1b80498
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ02427.txt
@@ -0,0 +1,209 @@
+ACCESSION: MSBNK-MSSJ-MSJ02427
+RECORD_TITLE: 4-Ethyl-N-(2-nitrophenyl)aniline; GC-EI-TOF; MS; POSITIVE; 70 V
+DATE: 2023.10.01
+AUTHORS: Eiyu Imai, Molecular Structure Characterization Unit, RIKEN, Japan
+LICENSE: CC BY
+COPYRIGHT: Eiyu Imai, Molecular Structure Characterization Unit, RIKEN, Japan
+PUBLICATION: Wei-Chih Wang, Kyohei Nakano, Daisuke Hashizume, Chain-Shu Hsu, and Keisuke Tajima; ACS Appl. Mater. Interfaces 2022, 14, 18773−18781. DOI:10.1021/acsami.2c03496.
+COMMENT: Original ID of the mass spectral data is A20210301-06_Wang4MB/P-1_ei.xlsx
+COMMENT: JMS-T100GCV (JEOL, Akishima, Japan) is a reflectron time-of-flight (reTOF) mass spectrometer. Temperature of the ion-source and GC-transfer line were 200 C and 250 C, respectively. Resolving power (FWHM, nominal) was 7000.
+COMMENT: EI voltage was 70 V. Typical accuracy level expected was 5 ppm. The m/z value was adjusted with 242.10552.
+CH$NAME: 4-Ethyl-N-(2-nitrophenyl)aniline
+CH$COMPOUND_CLASS: Non-natural compound
+CH$FORMULA: C14H14N2O2
+CH$EXACT_MASS: 242.105520
+CH$SMILES: [O-][N+](=O)c1ccccc1Nc1ccc(CC)cc1
+CH$IUPAC: InChI=1S/C14H14N2O2/c1-2-11-7-9-12(10-8-11)15-13-5-3-4-6-14(13)16(17)18/h3-10,15H,2H2,1H3
+CH$LINK: INCHIKEY PWWDOADAYRLQDX-UHFFFAOYSA-N
+AC$INSTRUMENT: JMS-T100GCV (JEOL, Akishima, Japan) coupled to Agilent 7890A (Santa Clara, CA, USA) gas chromatograph.
+AC$INSTRUMENT_TYPE: GC-EI-TOF
+AC$MASS_SPECTROMETRY: MS_TYPE MS
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION EI
+AC$CHROMATOGRAPHY: CARRIER_GAS He, flow rate 1 ml/min
+AC$CHROMATOGRAPHY: COLUMN_NAME DB-5MS 122-5532 USA360633H (Agilent, Wilmington, USA) with the length 30.0 m, I.D. 0.25 mm, and thickness 0.25 micrometer.
+AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE Initial oven temperature at 70 C for 4 min and ramped at the rate of 30 C/min to 325 C and held at the final temperature for 1.5 min.
+AC$CHROMATOGRAPHY: INJECTION_TEMPERATURE 250 C
+AC$CHROMATOGRAPHY: RETENTION_TIME 11.64 min
+PK$SPLASH: splash10-005c-3890000000-594cd28d876025a7208b
+PK$NUM_PEAK: 178
+PK$PEAK: m/z int. rel.int.
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+  181.692 0.2492 2
+  182.089 6.6553 66
+  182.688 0.1578 2
+  182.763 0.1435 1
+  183.078 1.976 20
+  183.296 0.1288 1
+  184.076 0.7909 8
+  185.076 0.3479 3
+  190.067 0.5437 5
+  191.074 2.2759 23
+  192.079 3.6036 36
+  192.207 0.1754 2
+  193.08 12.68 127
+  194.092 6.0435 60
+  195.102 4.7798 48
+  196.082 2.7656 28
+  197.086 3.4099 34
+  198.088 1.0749 11
+  199.09 0.2363 2
+  205.077 0.6209 6
+  206.085 1.4239 14
+  207.093 4.6613 47
+  207.22 0.1351 1
+  208.099 3.346 33
+  209.108 3.9739 40
+  210.113 1.6448 16
+  211.111 0.291 3
+  212.129 0.4195 4
+  213.067 0.3244 3
+  214.073 0.1778 2
+  225.102 3.5723 36
+  226.107 0.9786 10
+  227.082 100 999
+  227.83 0.3218 3
+  228.087 40.2789 402
+  228.847 0.2674 3
+  229.091 5.0552 51
+  229.939 0.1446 1
+  230.094 0.5008 5
+  241.098 1.3325 13
+  242.106 87.3988 873
+  242.662 0.2 2
+  242.794 0.2874 3
+  243.111 36.1583 361
+  243.914 0.2213 2
+  244.045 0.1316 1
+  244.114 4.7958 48
+  244.53 0.1815 2
+  245.118 0.4729 5
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ02428.txt b/MSSJ/MSBNK-MSSJ-MSJ02428.txt
new file mode 100644
index 00000000000..6bbcd245663
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ02428.txt
@@ -0,0 +1,157 @@
+ACCESSION: MSBNK-MSSJ-MSJ02428
+RECORD_TITLE: N1-(4-Ethylphenyl)benzene-1,2-diamine; GC-EI-TOF; MS; POSITIVE; 70 V
+DATE: 2023.10.01
+AUTHORS: Eiyu Imai, Molecular Structure Characterization Unit, RIKEN, Japan
+LICENSE: CC BY
+COPYRIGHT: Eiyu Imai, Molecular Structure Characterization Unit, RIKEN, Japan
+PUBLICATION: Wei-Chih Wang, Kyohei Nakano, Daisuke Hashizume, Chain-Shu Hsu, and Keisuke Tajima; ACS Appl. Mater. Interfaces 2022, 14, 18773−18781. DOI:10.1021/acsami.2c03496.
+COMMENT: Original ID of the mass spectral data is A20210301-06_Wang4MB/P-2_ei.xlsx
+COMMENT: JMS-T100GCV (JEOL, Akishima, Japan) is a reflectron time-of-flight (reTOF) mass spectrometer. Temperature of the ion-source and GC-transfer line were 200 C and 250 C, respectively. Resolving power (FWHM, nominal) was 7000.
+COMMENT: EI voltage was 70 V. Typical accuracy level expected was 5 ppm. The m/z value was adjusted with 212.13135.
+CH$NAME: N1-(4-Ethylphenyl)benzene-1,2-diamine
+CH$COMPOUND_CLASS: Non-natural compound
+CH$FORMULA: C14H16N2
+CH$EXACT_MASS: 212.131349
+CH$SMILES: CCc1ccc(cc1)Nc1ccccc1N
+CH$IUPAC: InChI=1S/C14H16N2/c1-2-11-7-9-12(10-8-11)16-14-6-4-3-5-13(14)15/h3-10,16H,2,15H2,1H3
+CH$LINK: INCHIKEY RTERVMDRFUZZIO-UHFFFAOYSA-N
+AC$INSTRUMENT: JMS-T100GCV (JEOL, Akishima, Japan) coupled to Agilent 7890A (Santa Clara, CA, USA) gas chromatograph.
+AC$INSTRUMENT_TYPE: GC-EI-TOF
+AC$MASS_SPECTROMETRY: MS_TYPE MS
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION EI
+AC$CHROMATOGRAPHY: CARRIER_GAS He, flow rate 1 ml/min
+AC$CHROMATOGRAPHY: COLUMN_NAME DB-5MS 122-5532 USA360633H (Agilent, Wilmington, USA) with the length 30.0 m, I.D. 0.25 mm, and thickness 0.25 micrometer.
+AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE Initial oven temperature at 70 C for 4 min and ramped at the rate of 30 C/min to 325 C and held at the final temperature for 1.5 min.
+AC$CHROMATOGRAPHY: INJECTION_TEMPERATURE 250 C
+AC$CHROMATOGRAPHY: RETENTION_TIME 11.17 min
+PK$SPLASH: splash10-01ot-4930000000-acc8d5cfd632e7188894
+PK$NUM_PEAK: 126
+PK$PEAK: m/z int. rel.int.
+  27.023 2.7361 27
+  28.018 1.8491 18
+  29.039 2.0026 20
+  30.034 0.3 3
+  38.015 0.3997 4
+  39.023 5.7983 58
+  40.03 0.536 5
+  41.038 1.0431 10
+  42.034 0.6199 6
+  50.015 1.053 11
+  51.023 4.3906 44
+  52.029 2.7112 27
+  53.038 4.3141 43
+  54.034 1.322 13
+  62.015 0.3993 4
+  63.023 2.989 30
+  64.03 1.7015 17
+  65.038 11.8134 118
+  66.042 1.879 19
+  67.043 0.3352 3
+  71.536 0.2987 3
+  74.015 0.2284 2
+  75.023 0.6808 7
+  76.03 1.1192 11
+  77.038 9.3313 93
+  78.042 3.3823 34
+  79.052 2.4097 24
+  80.05 9.8969 99
+  81.054 0.8774 9
+  83.536 0.7826 8
+  84.036 0.268 3
+  84.539 0.4902 5
+  85.041 0.2843 3
+  89.038 4.5851 46
+  89.536 0.3513 4
+  90.044 2.9809 30
+  91.05 7.8252 78
+  91.544 0.4855 5
+  92.05 5.2334 52
+  93.057 3.5219 35
+  94.062 0.353 4
+  96.54 0.2329 2
+  97.042 0.8186 8
+  97.546 2.4367 24
+  98.049 4.1371 41
+  98.116 0.1486 1
+  98.553 5.3193 53
+  99.055 0.7199 7
+  101.038 0.3982 4
+  102.044 0.927 9
+  103.053 1.7055 17
+  104.054 1.2498 12
+  105.058 1.0879 11
+  106.065 3.3441 33
+  107.061 3.2025 32
+  108.067 0.9554 10
+  114.044 0.1755 2
+  115.054 1.1956 12
+  116.051 0.8473 8
+  117.058 1.1899 12
+  118.058 1.4976 15
+  119.063 1.8213 18
+  120.08 0.7816 8
+  121.087 0.2738 3
+  126.046 0.2438 2
+  127.053 1.1308 11
+  128.058 1.4697 15
+  129.063 0.6541 7
+  130.065 1.5917 16
+  131.064 0.8354 8
+  132.068 1.1145 11
+  139.054 0.6078 6
+  140.051 0.6583 7
+  141.064 0.4898 5
+  142.065 0.34 3
+  143.069 0.6264 6
+  144.075 0.2322 2
+  145.078 0.5055 5
+  151.054 0.5561 6
+  152.061 1.6054 16
+  153.063 0.9384 9
+  154.065 2.0864 21
+  155.068 0.9881 10
+  156.072 1.1097 11
+  157.077 0.4512 5
+  158.084 0.3777 4
+  164.052 0.1944 2
+  165.063 0.2913 3
+  166.065 2.2239 22
+  167.072 2.4198 24
+  168.076 1.8249 18
+  169.077 2.6005 26
+  170.09 0.8069 8
+  171.093 0.1933 2
+  177.057 0.2438 2
+  178.065 1.0823 11
+  179.07 1.1549 12
+  180.079 3.0202 30
+  181.076 9.9077 99
+  182.083 19.9782 200
+  183.09 8.2561 82
+  184.095 1.1269 11
+  191.073 0.296 3
+  192.077 0.3975 4
+  193.079 0.9807 10
+  194.086 1.8359 18
+  195.092 6.5647 66
+  196.098 2.1306 21
+  197.107 100 999
+  197.754 0.3439 3
+  198.11 14.8382 148
+  198.793 0.2351 2
+  199.114 0.9873 10
+  199.854 0.1272 1
+  207.092 0.369 4
+  208.099 0.2742 3
+  209.107 0.4838 5
+  210.115 0.4765 5
+  211.123 3.5777 36
+  211.248 0.1205 1
+  212.131 67.908 678
+  212.805 0.2341 2
+  213.135 10.6574 106
+  213.873 0.1601 2
+  214.138 0.76 8
+  214.412 0.1177 1
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ02429.txt b/MSSJ/MSBNK-MSSJ-MSJ02429.txt
new file mode 100644
index 00000000000..5e9c77b3ea9
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ02429.txt
@@ -0,0 +1,80 @@
+ACCESSION: MSBNK-MSSJ-MSJ02429
+RECORD_TITLE: 1-Fluoro-4-(6,6,6-trifluoro-3-hexyenyl)benzene; GC-EI-TOF; MS; POSITIVE; 70 V
+DATE: 2023.10.01
+AUTHORS: Eiyu Imai and Takemichi Nakamura, Molecular Structure Characterization Unit, RIKEN, Japan
+LICENSE: CC BY
+COPYRIGHT: Eiyu Imai and Takemichi Nakamura, Molecular Structure Characterization Unit, RIKEN, Japan
+PUBLICATION: Shintaro Kawamura and Mikiko Sodeoka; Angew. Chem. Int. Ed. 2016, 55, 8740–8743. DOI: 10.1002/anie.201604127.
+COMMENT: Original ID of the mass spectral data is A201512-1603_kawamura4MB/FPh_allyl_ei.xlsx
+COMMENT: JMS-T100GCV (JEOL, Akishima, Japan) is a reflectron time-of-flight (reTOF) mass spectrometer. Temperature of the ion-source and GC-transfer line were 200 C and 250 C, respectively. Resolving power (FWHM, nominal) was 7000.
+COMMENT: EI voltage was 70 V. Typical accuracy level expected was 5 ppm. The m/z value was adjusted with 232.08751.
+CH$NAME: 1-Fluoro-4-(6,6,6-trifluoro-3-hexyenyl)benzene
+CH$COMPOUND_CLASS: Non-natural compound
+CH$FORMULA: C12H12F4
+CH$EXACT_MASS: 232.087512
+CH$SMILES: FC(F)(F)C\C=C\CCc1ccc(F)cc1
+CH$IUPAC: InChI=1S/C12H12F4/c13-11-7-5-10(6-8-11)4-2-1-3-9-12(14,15)16/h1,3,5-8H,2,4,9H2/b3-1+
+CH$LINK: INCHIKEY SSYHIHDAKIXSLM-HNQUOIGGSA-N
+AC$INSTRUMENT: JMS-T100GCV (JEOL, Akishima, Japan) coupled to Agilent 7890A (Santa Clara, CA, USA) gas chromatograph.
+AC$INSTRUMENT_TYPE: GC-EI-TOF
+AC$MASS_SPECTROMETRY: MS_TYPE MS
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION EI
+AC$CHROMATOGRAPHY: CARRIER_GAS He, flow rate 1.5 ml/min
+AC$CHROMATOGRAPHY: COLUMN_NAME ZB-1MS 7HM-G011-11 sn:313446 (Agilent, Wilmington, USA) with the length 30.0 m, I.D. 0.25 mm, and thickness 0.25 micrometer.
+AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE Initial oven temperature at 70 C for 4 min and ramped at the rate of 30 C/min to 325 C and held at the final temperature for 1.5 min.
+AC$CHROMATOGRAPHY: INJECTION_TEMPERATURE 250 C
+AC$CHROMATOGRAPHY: RETENTION_TIME 6.99 min
+PK$SPLASH: splash10-0a4i-2900000000-796dd69f365ecca6d901
+PK$NUM_PEAK: 49
+PK$PEAK: m/z int. rel.int.
+  27.023 0.9412 9
+  28.006 2.2273 22
+  31.99 1.283 13
+  39.023 2.3975 24
+  41.039 0.4559 5
+  50.016 0.4407 4
+  51.023 1.1682 12
+  53.039 0.5288 5
+  54.047 0.4805 5
+  57.014 2.0211 20
+  59.03 2.5903 26
+  62.016 0.3799 4
+  63.023 1.5079 15
+  64.027 0.243 2
+  65.039 0.3642 4
+  68.995 0.615 6
+  70.022 0.468 5
+  75.023 1.0349 10
+  77.021 0.7288 7
+  81.014 0.594 6
+  83.03 8.1337 81
+  84.033 0.5832 6
+  89.039 1.0226 10
+  95.029 0.6228 6
+  96.038 1.0308 10
+  101.039 0.7917 8
+  103.047 0.3092 3
+  107.03 1.7326 17
+  108.036 0.7396 7
+  109.045 100 999
+  109.562 0.2803 3
+  109.915 0.1981 2
+  110.049 8.2252 82
+  111.052 0.351 4
+  115.055 0.397 4
+  120.037 0.4211 4
+  121.045 0.5849 6
+  122.053 0.6581 7
+  123.053 0.1823 2
+  127.049 0.234 2
+  133.045 1.3424 13
+  134.051 0.3361 3
+  135.061 0.261 3
+  145.038 0.1917 2
+  146.053 0.9093 9
+  147.06 1.1031 11
+  149.076 0.2643 3
+  232.088 3.4368 34
+  233.091 0.5232 5
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ02430.txt b/MSSJ/MSBNK-MSSJ-MSJ02430.txt
new file mode 100644
index 00000000000..b9aafb61d62
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ02430.txt
@@ -0,0 +1,190 @@
+ACCESSION: MSBNK-MSSJ-MSJ02430
+RECORD_TITLE: (6E)-8-(Trifluoromethyl)-6-tetradecene; GC-EI-TOF; MS; POSITIVE; 70 V
+DATE: 2023.10.01
+AUTHORS: Eiyu Imai and Takemichi Nakamura, Molecular Structure Characterization Unit, RIKEN, Japan
+LICENSE: CC BY
+COPYRIGHT: Eiyu Imai and Takemichi Nakamura, Molecular Structure Characterization Unit, RIKEN, Japan
+PUBLICATION: Shintaro Kawamura and Mikiko Sodeoka; Angew. Chem. Int. Ed. 2016, 55, 8740–8743. DOI: 10.1002/anie.201604127.
+COMMENT: Original ID of the mass spectral data is A201512-1603_kawamura4MB/Internal_ei.xlsx
+COMMENT: JMS-T100GCV (JEOL, Akishima, Japan) is a reflectron time-of-flight (reTOF) mass spectrometer. Temperature of the ion-source and GC-transfer line were 250 C and 250 C, respectively. Resolving power (FWHM, nominal) was 7000.
+COMMENT: EI voltage was 70 V. Typical accuracy level expected was 5 ppm. The m/z value was adjusted with 264.20649.
+CH$NAME: (6E)-8-(Trifluoromethyl)-6-tetradecene
+CH$COMPOUND_CLASS: Non-natural compound
+CH$FORMULA: C15H27F3
+CH$EXACT_MASS: 264.206484
+CH$SMILES: CCCCCCC(\C=C\CCCCC)C(F)(F)F
+CH$IUPAC: InChI=1S/C15H27F3/c1-3-5-7-9-11-13-14(15(16,17)18)12-10-8-6-4-2/h11,13-14H,3-10,12H2,1-2H3/b13-11+
+CH$LINK: CAS 1943723-79-2
+CH$LINK: INCHIKEY VDLXSUJMTVENHH-ACCUITESSA-N
+CH$LINK: PUBCHEM CID:101032788
+AC$INSTRUMENT: JMS-T100GCV (JEOL, Akishima, Japan) coupled to Agilent 7890A (Santa Clara, CA, USA) gas chromatograph.
+AC$INSTRUMENT_TYPE: GC-EI-TOF
+AC$MASS_SPECTROMETRY: MS_TYPE MS
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION EI
+AC$CHROMATOGRAPHY: CARRIER_GAS He, flow rate 1.5 ml/min
+AC$CHROMATOGRAPHY: COLUMN_NAME ZB-1MS 7HM-G011-11 sn:313446 (Agilent, Wilmington, USA) with the length 30.0 m, I.D. 0.25 mm, and thickness 0.25 micrometer.
+AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE Initial oven temperature at 70 C for 4 min and ramped at the rate of 30 C/min to 325 C and held at the final temperature for 1.5 min.
+AC$CHROMATOGRAPHY: INJECTION_TEMPERATURE 250 C
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.93 min
+PK$SPLASH: splash10-0a4l-9000000000-581e447870edc668f3cc
+PK$NUM_PEAK: 157
+PK$PEAK: m/z int. rel.int.
+  27.023 12.913 129
+  27.065 0.1467 1
+  28.006 1.7814 18
+  28.031 2.1331 21
+  29.039 35.0493 350
+  29.083 0.3525 4
+  30.042 0.7449 7
+  31.99 1.0739 11
+  39.023 8.0785 81
+  40.031 1.4513 14
+  41.039 69.8623 698
+  41.09 0.6437 6
+  41.165 0.1366 1
+  41.323 0.2285 2
+  41.355 0.1969 2
+  41.569 0.13 1
+  42.047 34.1476 341
+  42.097 0.3749 4
+  42.33 0.1238 1
+  43.055 100 999
+  43.108 0.9646 10
+  43.378 0.2811 3
+  43.596 0.1868 2
+  43.844 0.138 1
+  44.058 3.0255 30
+  47.03 0.8876 9
+  51.004 0.3427 3
+  51.023 0.5037 5
+  52.03 0.3394 3
+  53.039 4.5307 45
+  54.047 7.5606 76
+  55.055 72.0534 720
+  55.115 0.6969 7
+  55.381 0.1564 2
+  55.42 0.2071 2
+  55.653 0.1172 1
+  55.708 0.1188 1
+  56.062 82.7838 827
+  56.124 0.7857 8
+  56.397 0.1721 2
+  56.431 0.2172 2
+  57.014 0.2855 3
+  57.07 56.0025 559
+  57.13 0.5401 5
+  57.22 0.1381 1
+  58.074 2.1821 22
+  59.03 2.7938 28
+  61.045 0.7662 8
+  65.039 1.2383 12
+  66.046 0.6703 7
+  67.055 8.2984 83
+  68.062 3.8672 39
+  69.07 38.3371 383
+  69.136 0.3907 4
+  70.078 61.9014 618
+  70.446 0.1742 2
+  70.491 0.1564 2
+  71.029 0.4451 4
+  71.085 14.2786 143
+  72.038 0.7737 8
+  72.089 0.6906 7
+  73.045 1.6104 16
+  77.02 4.079 41
+  78.046 0.2716 3
+  79.055 2.5416 25
+  80.062 0.514 5
+  81.07 4.4057 44
+  82.078 2.1641 22
+  83.03 0.7374 7
+  83.086 24.5252 245
+  83.214 0.1426 1
+  84.038 0.2016 2
+  84.093 20.9671 209
+  85.045 1.3498 13
+  85.101 7.2208 72
+  85.178 0.1483 1
+  86.104 0.3846 4
+  87.061 0.4053 4
+  89.02 1.0864 11
+  90.028 1.3648 14
+  91.05 0.8834 9
+  93.07 0.6942 7
+  95.025 0.6917 7
+  95.086 2.7901 28
+  96.093 0.8201 8
+  97.045 1.8549 19
+  97.101 13.4863 135
+  98.051 0.2521 3
+  98.109 5.0962 51
+  99.061 0.5958 6
+  99.114 0.4432 4
+  101.02 0.5929 6
+  102.028 0.2776 3
+  103.036 2.875 29
+  104.042 0.2818 3
+  105.06 0.2122 2
+  107.086 0.3443 3
+  109.041 1.043 10
+  109.101 0.9229 9
+  111.061 1.574 16
+  111.117 1.143 11
+  112.124 0.4691 5
+  113.077 0.3742 4
+  114.029 0.2062 2
+  115.036 2.0011 20
+  117.052 2.9339 29
+  118.056 0.2193 2
+  121.027 0.8669 9
+  121.102 0.2506 3
+  122.034 2.8746 29
+  123.042 1.4255 14
+  123.116 0.4229 4
+  125.076 0.9192 9
+  125.132 0.2801 3
+  126.14 0.2374 2
+  127.036 0.6073 6
+  127.092 0.3006 3
+  129.052 0.3893 4
+  130.057 0.1983 2
+  131.067 4.6356 46
+  132.07 0.3435 3
+  135.042 1.4208 14
+  135.117 0.3823 4
+  136.049 0.8675 9
+  137.058 0.9448 9
+  139.09 0.2486 2
+  141.109 0.194 2
+  145.083 2.434 24
+  146.087 0.2449 2
+  149.058 1.5929 16
+  149.133 0.2467 2
+  150.065 3.2294 32
+  151.073 9.0587 90
+  151.16 0.1404 1
+  152.078 1.0055 10
+  153.088 0.2281 2
+  159.098 0.7058 7
+  163.074 1.2394 12
+  164.081 2.2795 23
+  165.089 8.2538 82
+  166.094 0.9388 9
+  167.104 0.2362 2
+  177.089 0.5005 5
+  178.096 0.7637 8
+  179.105 2.512 25
+  180.111 0.616 6
+  192.112 0.6536 7
+  193.12 1.3862 14
+  194.127 0.3669 4
+  206.128 0.414 4
+  207.135 0.4379 4
+  208.142 0.2979 3
+  221.15 0.1995 2
+  222.16 0.3699 4
+  236.175 0.4366 4
+  264.206 8.4199 84
+  265.21 1.2274 12
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ02431.txt b/MSSJ/MSBNK-MSSJ-MSJ02431.txt
new file mode 100644
index 00000000000..5e992072334
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ02431.txt
@@ -0,0 +1,77 @@
+ACCESSION: MSBNK-MSSJ-MSJ02431
+RECORD_TITLE: 1-Methyl-4-(6,6,6-trifluoro-3-hexyenyl)benzene; GC-EI-TOF; MS; POSITIVE; 70 V
+DATE: 2023.10.01
+AUTHORS: Eiyu Imai and Takemichi Nakamura, Molecular Structure Characterization Unit, RIKEN, Japan
+LICENSE: CC BY
+COPYRIGHT: Eiyu Imai and Takemichi Nakamura, Molecular Structure Characterization Unit, RIKEN, Japan
+PUBLICATION: Shintaro Kawamura and Mikiko Sodeoka; Angew. Chem. Int. Ed. 2016, 55, 8740–8743. DOI: 10.1002/anie.201604127.
+COMMENT: Original ID of the mass spectral data is A201512-1603_kawamura4MB/kwmr1025_ei.xlsx
+COMMENT: JMS-T100GCV (JEOL, Akishima, Japan) is a reflectron time-of-flight (reTOF) mass spectrometer. Temperature of the ion-source and GC-transfer line were 200 C and 200 C, respectively. Resolving power (FWHM, nominal) was 7000.
+COMMENT: EI voltage was 70 V. Typical accuracy level expected was 5 ppm. The m/z value was adjusted with 228.11258.
+CH$NAME: 1-Methyl-4-(6,6,6-trifluoro-3-hexyenyl)benzene
+CH$COMPOUND_CLASS: Non-natural compound
+CH$FORMULA: C13H15F3
+CH$EXACT_MASS: 228.112584
+CH$SMILES: CC1=CC=C(C=C1)CC/C=C/CC(F)(F)F
+CH$IUPAC: InChI=1S/C13H15F3/c1-11-6-8-12(9-7-11)5-3-2-4-10-13(14,15)16/h2,4,6-9H,3,5,10H2,1H3/b4-2+
+CH$LINK: INCHIKEY NHURKFYWBOLEDR-DUXPYHPUSA-N
+CH$LINK: PUBCHEM CID:129248319
+AC$INSTRUMENT: JMS-T100GCV (JEOL, Akishima, Japan) coupled to Agilent 7890A (Santa Clara, CA, USA) gas chromatograph.
+AC$INSTRUMENT_TYPE: GC-EI-TOF
+AC$MASS_SPECTROMETRY: MS_TYPE MS
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION EI
+AC$CHROMATOGRAPHY: CARRIER_GAS He, flow rate 1.5 ml/min
+AC$CHROMATOGRAPHY: COLUMN_NAME ZB-1MS 7HM-G011-11 sn:313446 (Agilent, Wilmington, USA) with the length 30.0 m, I.D. 0.32 mm, and thickness 0.25 micrometer.
+AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE Initial oven temperature at 70 C for 4 min and ramped at the rate of 30 C/min to 325 C and held at the final temperature for 1.5 min.
+AC$CHROMATOGRAPHY: INJECTION_TEMPERATURE 250 C
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.46 min
+PK$SPLASH: splash10-0a4i-2900000000-032146745328d1605e11
+PK$NUM_PEAK: 45
+PK$PEAK: m/z int. rel.int.
+  27.024 2.3246 23
+  28.007 1.2643 13
+  31.99 0.5031 5
+  39.024 2.9601 30
+  40.03 0.2406 2
+  41.04 0.7243 7
+  50.016 0.497 5
+  51.024 1.973 20
+  52.032 0.6187 6
+  53.04 1.3354 13
+  54.047 0.3333 3
+  59.03 1.8516 18
+  63.024 1.0641 11
+  64.031 0.3547 4
+  65.04 1.8108 18
+  68.996 0.4091 4
+  76.032 0.2663 3
+  77.04 7.5754 76
+  78.047 1.9954 20
+  79.055 5.6599 57
+  80.059 0.34 3
+  89.04 0.6236 6
+  91.055 1.952 20
+  92.062 0.3218 3
+  102.047 0.4856 5
+  103.055 4.3511 43
+  104.062 2.1696 22
+  105.071 100 999
+  105.577 0.2976 3
+  105.919 0.1921 2
+  106.074 7.8372 78
+  106.283 0.1526 2
+  107.078 0.332 3
+  115.055 1.4058 14
+  116.062 0.3596 4
+  117.071 0.6489 6
+  118.078 0.228 2
+  123.045 0.1872 2
+  127.055 0.3008 3
+  128.063 1.0788 11
+  129.07 0.8325 8
+  141.07 0.4218 4
+  143.086 0.403 4
+  228.113 5.8998 59
+  229.116 0.7255 7
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ02432.txt b/MSSJ/MSBNK-MSSJ-MSJ02432.txt
new file mode 100644
index 00000000000..f54286eeb3c
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ02432.txt
@@ -0,0 +1,136 @@
+ACCESSION: MSBNK-MSSJ-MSJ02432
+RECORD_TITLE: 7-Methyl-1-(2,2,3,3,3-pentafluoropropyl)-1,2,3,4-tetrahydronaphtalene; GC-EI-TOF; MS; POSITIVE; 70 V
+DATE: 2023.10.01
+AUTHORS: Eiyu Imai and Takemichi Nakamura, Molecular Structure Characterization Unit, RIKEN, Japan
+LICENSE: CC BY
+COPYRIGHT: Eiyu Imai and Takemichi Nakamura, Molecular Structure Characterization Unit, RIKEN, Japan
+PUBLICATION: Shintaro Kawamura and Mikiko Sodeoka; Angew. Chem. Int. Ed. 2016, 55, 8740–8743. DOI: 10.1002/anie.201604127.
+COMMENT: Original ID of the mass spectral data is A201512-1603_kawamura4MB/kwmr1043_ei.xlsx
+COMMENT: JMS-T100GCV (JEOL, Akishima, Japan) is a reflectron time-of-flight (reTOF) mass spectrometer. Temperature of the ion-source and GC-transfer line were 200 C and 200 C, respectively. Resolving power (FWHM, nominal) was 7000.
+COMMENT: EI voltage was 70 V. Typical accuracy level expected was 5 ppm. The m/z value was adjusted with 278.10939.
+CH$NAME: 7-Methyl-1-(2,2,3,3,3-pentafluoropropyl)-1,2,3,4-tetrahydronaphtalene
+CH$COMPOUND_CLASS: Non-natural compound
+CH$FORMULA: C14H15F5
+CH$EXACT_MASS: 278.10939
+CH$SMILES: FC(F)(F)C(F)(F)C[C@H]1CCCc2ccc(C)cc21
+CH$IUPAC: InChI=1S/C14H15F5/c1-9-5-6-10-3-2-4-11(12(10)7-9)8-13(15,16)14(17,18)19/h5-7,11H,2-4,8H2,1H3/t11-/m1/s1
+CH$LINK: INCHIKEY XGHDAFMTCCZYKI-LLVKDONJSA-N
+AC$INSTRUMENT: JMS-T100GCV (JEOL, Akishima, Japan) coupled to Agilent 7890A (Santa Clara, CA, USA) gas chromatograph.
+AC$INSTRUMENT_TYPE: GC-EI-TOF
+AC$MASS_SPECTROMETRY: MS_TYPE MS
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION EI
+AC$CHROMATOGRAPHY: CARRIER_GAS He, flow rate 1.5 ml/min
+AC$CHROMATOGRAPHY: COLUMN_NAME ZB-1MS 7HM-G011-11 sn:313446 (Agilent, Wilmington, USA) with the length 30.0 m, I.D. 0.32 mm, and thickness 0.25 micrometer.
+AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE Initial oven temperature at 70 C for 4 min and ramped at the rate of 30 C/min to 325 C and held at the final temperature for 1.5 min.
+AC$CHROMATOGRAPHY: INJECTION_TEMPERATURE 250 C
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.74 min
+PK$SPLASH: splash10-0002-2910000000-eafeb1013c30d517159f
+PK$NUM_PEAK: 105
+PK$PEAK: m/z int. rel.int.
+  27.024 1.5774 16
+  28.006 1.278 13
+  28.031 0.3426 3
+  29.039 0.4936 5
+  31.99 0.5315 5
+  39.024 2.8981 29
+  40.031 0.2612 3
+  41.04 1.5738 16
+  50.016 0.5805 6
+  51.024 2.431 24
+  52.031 0.5974 6
+  53.04 1.6891 17
+  57.021 0.1748 2
+  57.528 0.66 7
+  58.032 0.3287 3
+  62.016 0.3308 3
+  63.024 1.7586 18
+  64.031 1.5478 15
+  64.535 0.3938 4
+  65.04 2.3001 23
+  67.055 0.4341 4
+  68.996 1.5842 16
+  70.032 0.6092 6
+  70.536 3.2052 32
+  71.039 3.462 35
+  71.543 2.826 28
+  72.047 1.4201 14
+  72.551 1.2887 13
+  75.024 0.5184 5
+  76.032 0.7043 7
+  77.039 3.5478 35
+  78.047 1.1921 12
+  79.055 1.018 10
+  83.035 0.1627 2
+  87.025 0.2269 2
+  89.039 0.9614 10
+  90.044 0.1973 2
+  91.055 6.2879 63
+  92.061 0.7414 7
+  95.019 0.1549 2
+  101.039 0.2878 3
+  102.047 0.9702 10
+  103.055 1.6901 17
+  104.062 0.6186 6
+  105.071 9.8583 98
+  105.154 0.1242 1
+  106.074 0.8022 8
+  109.046 0.2252 2
+  115.055 10.9861 110
+  115.137 0.1384 1
+  116.062 3.7287 37
+  117.071 6.394 64
+  118.078 14.3409 143
+  118.164 0.1724 2
+  118.992 0.2852 3
+  119.083 1.4264 14
+  126.047 0.3391 3
+  127.055 3.3002 33
+  128.063 12.5061 125
+  128.163 0.1556 2
+  129.07 12.4569 124
+  130.078 10.5332 105
+  130.166 0.1283 1
+  131.086 5.1046 51
+  132.09 0.4383 4
+  133.046 0.4458 4
+  139.055 0.5317 5
+  141.071 3.2704 33
+  142.078 1.7316 17
+  143.086 5.1761 52
+  144.093 2.5491 25
+  145.102 100 999
+  145.698 0.2808 3
+  146.054 0.9118 9
+  146.105 11.0232 110
+  146.563 0.173 2
+  147.06 0.4228 4
+  147.109 0.6015 6
+  151.038 0.2852 3
+  152.063 0.3079 3
+  153.07 0.2901 3
+  155.086 0.2986 3
+  157.101 0.3021 3
+  158.109 0.2325 2
+  159.062 0.3501 3
+  159.117 0.6973 7
+  161.077 0.5984 6
+  164.044 0.3309 3
+  165.053 0.3044 3
+  177.052 0.2587 3
+  181.083 1.964 20
+  217.064 0.6137 6
+  235.056 0.4616 5
+  237.071 0.4086 4
+  239.105 0.2566 3
+  249.07 0.3373 3
+  250.078 3.3059 33
+  251.081 0.3704 4
+  259.111 1.4297 14
+  263.086 6.4296 64
+  264.09 0.7839 8
+  277.102 1.6139 16
+  278.109 28.0509 280
+  279.113 3.8076 38
+  280.116 0.2655 3
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ02433.txt b/MSSJ/MSBNK-MSSJ-MSJ02433.txt
new file mode 100644
index 00000000000..c1f60861447
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ02433.txt
@@ -0,0 +1,131 @@
+ACCESSION: MSBNK-MSSJ-MSJ02433
+RECORD_TITLE: 7-Methyl-1-(2,2,3,3,4,4,4-heptafluorobutyl)-1,2,3,4-tetrahydronaphthalene; GC-EI-TOF; MS; POSITIVE; 70 V
+DATE: 2023.10.01
+AUTHORS: Eiyu Imai and Takemichi Nakamura, Molecular Structure Characterization Unit, RIKEN, Japan
+LICENSE: CC BY
+COPYRIGHT: Eiyu Imai and Takemichi Nakamura, Molecular Structure Characterization Unit, RIKEN, Japan
+PUBLICATION: Shintaro Kawamura and Mikiko Sodeoka; Angew. Chem. Int. Ed. 2016, 55, 8740–8743. DOI: 10.1002/anie.201604127.
+COMMENT: Original ID of the mass spectral data is A201512-1603_kawamura4MB/kwmr1044_ei.xlsx
+COMMENT: JMS-T100GCV (JEOL, Akishima, Japan) is a reflectron time-of-flight (reTOF) mass spectrometer. Temperature of the ion-source and GC-transfer line were 200 C and 200 C, respectively. Resolving power (FWHM, nominal) was 7000.
+COMMENT: EI voltage was 70 V. Typical accuracy level expected was 5 ppm. The m/z value was adjusted with 328.1062.
+CH$NAME: 7-Methyl-1-(2,2,3,3,4,4,4-heptafluorobutyl)-1,2,3,4-tetrahydronaphthalene
+CH$COMPOUND_CLASS: Non-natural compound
+CH$FORMULA: C15H15F7
+CH$EXACT_MASS: 328.106196
+CH$SMILES: FC(F)(F)C(F)(F)C(F)(F)C[C@H]1CCCc2ccc(C)cc21
+CH$IUPAC: InChI=1S/C15H15F7/c1-9-5-6-10-3-2-4-11(12(10)7-9)8-13(16,17)14(18,19)15(20,21)22/h5-7,11H,2-4,8H2,1H3/t11-/m1/s1
+CH$LINK: INCHIKEY HRUGRXKWCCWWEE-LLVKDONJSA-N
+AC$INSTRUMENT: JMS-T100GCV (JEOL, Akishima, Japan) coupled to Agilent 7890A (Santa Clara, CA, USA) gas chromatograph.
+AC$INSTRUMENT_TYPE: GC-EI-TOF
+AC$MASS_SPECTROMETRY: MS_TYPE MS
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION EI
+AC$CHROMATOGRAPHY: CARRIER_GAS He, flow rate 1.5 ml/min
+AC$CHROMATOGRAPHY: COLUMN_NAME ZB-1MS 7HM-G011-11 sn:313446 (Agilent, Wilmington, USA) with the length 30.0 m, I.D. 0.32 mm, and thickness 0.25 micrometer.
+AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE Initial oven temperature at 70 C for 4 min and ramped at the rate of 30 C/min to 325 C and held at the final temperature for 1.5 min.
+AC$CHROMATOGRAPHY: INJECTION_TEMPERATURE 250 C
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.95 min
+PK$SPLASH: splash10-0002-1901000000-9b8c01881c3fcbafb965
+PK$NUM_PEAK: 100
+PK$PEAK: m/z int. rel.int.
+  27.024 1.1948 12
+  28.007 0.9799 10
+  28.031 0.257 3
+  29.04 0.411 4
+  31.99 0.4142 4
+  39.024 2.1318 21
+  41.04 1.3143 13
+  50.016 0.4055 4
+  51.024 1.7589 18
+  52.031 0.4456 4
+  53.04 1.4232 14
+  57.528 0.4702 5
+  63.024 1.2595 13
+  64.032 1.2079 12
+  64.535 0.3151 3
+  65.04 1.8551 19
+  67.055 0.397 4
+  68.996 2.5777 26
+  70.032 0.4803 5
+  70.536 2.7623 28
+  71.04 3.0776 31
+  71.543 2.3671 24
+  72.047 1.2164 12
+  72.551 0.8789 9
+  75.024 0.3942 4
+  76.032 0.5096 5
+  77.04 2.8221 28
+  78.047 0.9712 10
+  79.055 0.8722 9
+  89.039 0.7701 8
+  91.055 5.2414 52
+  92.061 0.6179 6
+  94.555 0.2982 3
+  95.012 0.7314 7
+  99.994 0.2332 2
+  101.039 0.2151 2
+  102.047 0.7397 7
+  103.055 1.4192 14
+  104.062 0.5347 5
+  105.071 8.8682 89
+  106.074 0.6875 7
+  115.055 8.9599 90
+  116.062 3.1412 31
+  117.071 5.4276 54
+  118.079 12.2212 122
+  118.166 0.141 1
+  118.993 0.5264 5
+  119.083 1.227 12
+  123.062 0.2381 2
+  126.047 0.2514 3
+  127.055 2.7848 28
+  128.063 10.5486 105
+  128.151 0.1401 1
+  129.071 11.3498 113
+  129.174 0.1553 2
+  130.078 9.4341 94
+  131.086 3.9756 40
+  132.09 0.3688 4
+  133.046 0.3866 4
+  139.055 0.4179 4
+  141.071 2.8747 29
+  142.078 1.6426 16
+  143.087 5.1307 51
+  144.094 2.6693 27
+  145.102 100 999
+  145.696 0.2795 3
+  146.054 0.8738 9
+  146.106 11.2466 112
+  146.563 0.164 2
+  147.06 0.4087 4
+  147.109 0.609 6
+  151.038 0.2341 2
+  152.063 0.2564 3
+  153.07 0.2734 3
+  155.087 0.3074 3
+  157.102 0.3162 3
+  158.11 0.3432 3
+  159.062 0.3196 3
+  159.118 0.8919 9
+  160.069 0.2567 3
+  161.077 0.697 7
+  164.045 0.3026 3
+  165.053 0.3117 3
+  177.052 0.2229 2
+  181.083 2.3319 23
+  182.087 0.2537 3
+  267.061 0.3404 3
+  285.053 0.185 2
+  287.068 0.2829 3
+  289.102 0.2816 3
+  299.068 0.2127 2
+  300.075 2.0102 20
+  301.078 0.2449 2
+  309.108 0.9947 10
+  313.083 4.6497 46
+  314.086 0.6276 6
+  327.098 1.4511 14
+  328.106 23.4821 235
+  329.11 3.4947 35
+  330.114 0.2437 2
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ02434.txt b/MSSJ/MSBNK-MSSJ-MSJ02434.txt
new file mode 100644
index 00000000000..6bf25ed0ca1
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ02434.txt
@@ -0,0 +1,85 @@
+ACCESSION: MSBNK-MSSJ-MSJ02434
+RECORD_TITLE: 4-(6,6,6-Trifluoro-3-hexyenyl)anisole; GC-EI-TOF; MS; POSITIVE; 70 V
+DATE: 2023.10.01
+AUTHORS: Eiyu Imai and Takemichi Nakamura, Molecular Structure Characterization Unit, RIKEN, Japan
+LICENSE: CC BY
+COPYRIGHT: Eiyu Imai and Takemichi Nakamura, Molecular Structure Characterization Unit, RIKEN, Japan
+PUBLICATION: Shintaro Kawamura and Mikiko Sodeoka; Angew. Chem. Int. Ed. 2016, 55, 8740–8743. DOI: 10.1002/anie.201604127.
+COMMENT: Original ID of the mass spectral data is A201512-1603_kawamura4MB/MeOPh_allyl_ei.xlsx
+COMMENT: JMS-T100GCV (JEOL, Akishima, Japan) is a reflectron time-of-flight (reTOF) mass spectrometer. Temperature of the ion-source and GC-transfer line were 250 C and 250 C, respectively. Resolving power (FWHM, nominal) was 7000.
+COMMENT: EI voltage was 70 V. Typical accuracy level expected was 5 ppm. The m/z value was adjusted with 244.107499.
+CH$NAME: 4-(6,6,6-Trifluoro-3-hexyenyl)anisole
+CH$COMPOUND_CLASS: Non-natural compound
+CH$FORMULA: C13H15F3O
+CH$EXACT_MASS: 244.107499
+CH$SMILES: COc1ccc(CC\C=C\CC(F)(F)F)cc1
+CH$IUPAC: InChI=1S/C13H15F3O/c1-17-12-8-6-11(7-9-12)5-3-2-4-10-13(14,15)16/h2,4,6-9H,3,5,10H2,1H3/b4-2+
+CH$LINK: INCHIKEY BBCXRCASCZUWKO-DUXPYHPUSA-N
+AC$INSTRUMENT: JMS-T100GCV (JEOL, Akishima, Japan) coupled to Agilent 7890A (Santa Clara, CA, USA) gas chromatograph.
+AC$INSTRUMENT_TYPE: GC-EI-TOF
+AC$MASS_SPECTROMETRY: MS_TYPE MS
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION EI
+AC$CHROMATOGRAPHY: CARRIER_GAS He, flow rate 1.5 ml/min
+AC$CHROMATOGRAPHY: COLUMN_NAME ZB-1MS 7HM-G011-11 sn:313446 (Agilent, Wilmington, USA) with the length 30.0 m, I.D. 0.32 mm, and thickness 0.25 micrometer.
+AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE Initial oven temperature at 70 C for 4 min and ramped at the rate of 30 C/min to 325 C and held at the final temperature for 1.5 min.
+AC$CHROMATOGRAPHY: INJECTION_TEMPERATURE 250 C
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.17 min
+PK$SPLASH: splash10-00di-3900000000-a8b4e217e41b3b7e638a
+PK$NUM_PEAK: 54
+PK$PEAK: m/z int. rel.int.
+  27.023 0.7113 7
+  28.006 1.8129 18
+  31.99 1.2087 12
+  39.023 2.01 20
+  41.039 0.8851 9
+  50.016 0.4782 5
+  51.023 2.0804 21
+  52.031 1.556 16
+  53.039 0.9841 10
+  54.047 0.3431 3
+  55.019 0.3427 3
+  59.029 2.575 26
+  63.023 1.1961 12
+  64.031 0.5895 6
+  65.039 2.1057 21
+  68.996 0.4116 4
+  76.031 0.279 3
+  77.039 5.5693 56
+  78.047 6.5968 66
+  79.052 0.6065 6
+  89.039 1.8081 18
+  90.047 1.2539 13
+  91.055 3.9604 40
+  92.026 0.2321 2
+  92.059 0.3342 3
+  95.015 0.1371 1
+  102.046 0.2838 3
+  103.052 0.58 6
+  104.06 0.1748 2
+  105.034 0.3214 3
+  106.041 0.7823 8
+  107.049 0.5119 5
+  109.046 0.3622 4
+  115.054 1.0627 11
+  116.061 0.3276 3
+  117.07 0.2534 3
+  119.05 0.3345 3
+  121.065 100 999
+  121.608 0.2788 3
+  122.069 7.8848 79
+  122.36 0.1488 1
+  122.418 0.1431 1
+  123.07 0.4745 5
+  127.054 0.2986 3
+  128.062 0.5565 6
+  129.07 0.398 4
+  131.05 0.2547 3
+  134.073 0.2939 3
+  144.056 0.2114 2
+  145.065 0.2338 2
+  146.07 0.2133 2
+  159.08 0.2581 3
+  244.108 3.602 36
+  245.11 0.4957 5
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ02435.txt b/MSSJ/MSBNK-MSSJ-MSJ02435.txt
new file mode 100644
index 00000000000..4ec4710168b
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ02435.txt
@@ -0,0 +1,136 @@
+ACCESSION: MSBNK-MSSJ-MSJ02435
+RECORD_TITLE: 3-Allyl-2-naphthonitrile; GC-EI-TOF; MS; POSITIVE; 70 V
+DATE: 2023.10.01
+AUTHORS: Eiyu Imai and Takemichi Nakamura, Molecular Structure Characterization Unit, RIKEN, Japan
+LICENSE: CC BY
+COPYRIGHT: Eiyu Imai and Takemichi Nakamura, Molecular Structure Characterization Unit, RIKEN, Japan
+PUBLICATION: Yuto Sumida, Tomoe Sumida, Daisuke Hashizume, and Takamitsu Hosoya; Org. Lett. 2016, 18, 5600−5603. DOI: 10.1021/acs.orglett.6b02831.
+COMMENT: Original ID of the mass spectral data is A_201511-1601_sumida4MB/TK14_ei.xlsx
+COMMENT: JMS-T100GCV (JEOL, Akishima, Japan) is a reflectron time-of-flight (reTOF) mass spectrometer. Temperature of the ion-source and GC-transfer line were 200 C and 200 C, respectively. Resolving power (FWHM, nominal) was 7000.
+COMMENT: EI voltage was 70 V. Typical accuracy level expected was 5 ppm. The m/z value was adjusted with 193.08915.
+CH$NAME: 3-Allyl-2-naphthonitrile
+CH$COMPOUND_CLASS: Non-natural compound
+CH$FORMULA: C14H11N
+CH$EXACT_MASS: 193.08915
+CH$SMILES: N#Cc1cc2ccccc2cc1CC=C
+CH$IUPAC: InChI=1S/C14H11N/c1-2-5-11-8-12-6-3-4-7-13(12)9-14(11)10-15/h2-4,6-9H,1,5H2
+CH$LINK: INCHIKEY FRGQKHYMBBICRA-UHFFFAOYSA-N
+AC$INSTRUMENT: JMS-T100GCV (JEOL, Akishima, Japan) coupled to Agilent 7890A (Santa Clara, CA, USA) gas chromatograph.
+AC$INSTRUMENT_TYPE: GC-EI-TOF
+AC$MASS_SPECTROMETRY: MS_TYPE MS
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION EI
+AC$CHROMATOGRAPHY: CARRIER_GAS He, flow rate 1.5 ml/min
+AC$CHROMATOGRAPHY: COLUMN_NAME HP-5 19091J-413 USD364547H (Agilent, Wilmington, USA) with the length 30.0 m, I.D. 0.32 mm, and thickness 0.25 micrometer.
+AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE Initial oven temperature at 70 C for 4 min and ramped at the rate of 30 C/min to 325 C and held at the final temperature for 1.5 min.
+AC$CHROMATOGRAPHY: INJECTION_TEMPERATURE 250 C
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.56 min
+PK$SPLASH: splash10-0006-1900000000-51dd78013c22def613e6
+PK$NUM_PEAK: 105
+PK$PEAK: m/z int. rel.int.
+  26.016 0.2961 3
+  27.024 1.7372 17
+  28.007 0.6702 7
+  28.02 0.4414 4
+  31.99 0.4135 4
+  38.016 0.4778 5
+  39.024 4.6899 47
+  40.03 0.2465 2
+  41.04 0.7657 8
+  50.016 1.9785 20
+  51.024 2.8008 28
+  52.031 0.5677 6
+  61.009 0.3539 4
+  62.016 2.1135 21
+  63.024 5.512 55
+  64.027 0.619 6
+  65.04 0.859 9
+  69.024 0.5531 6
+  69.528 1.8969 19
+  70.031 0.4444 4
+  70.53 1.063 11
+  74.017 2.5043 25
+  75.024 3.3909 34
+  75.528 0.4184 4
+  76.031 1.8116 18
+  77.039 1.3919 14
+  78.045 0.2164 2
+  81.024 1.115 11
+  81.528 2.3488 23
+  82.032 4.2588 43
+  82.535 5.3697 54
+  83.039 1.9192 19
+  83.538 1.6101 16
+  86.017 1.4739 15
+  87.024 2.6671 27
+  88.028 1.3719 14
+  89.039 2.7582 28
+  90.04 0.3398 3
+  91.056 0.2687 3
+  95.538 3.5427 35
+  96.04 0.776 8
+  96.545 1.043 10
+  98.017 0.9743 10
+  99.022 1.2504 12
+  100.026 0.9035 9
+  101.038 0.7369 7
+  102.046 0.7653 8
+  110.016 0.3647 4
+  111.023 0.7499 7
+  112.025 0.5835 6
+  113.04 3.8572 39
+  114.041 1.5091 15
+  115.055 4.0244 40
+  116.056 0.5721 6
+  123.018 0.232 2
+  124.029 0.4479 4
+  125.039 1.4267 14
+  126.047 3.7025 37
+  127.052 1.7028 17
+  128.062 0.9559 10
+  137.04 2.2055 22
+  138.046 2.4562 25
+  139.055 13.3173 133
+  139.137 0.1536 2
+  140.052 15.8985 159
+  141.059 2.0424 20
+  142.073 0.1812 2
+  149.039 0.3853 4
+  150.047 2.2034 22
+  151.053 4.0832 41
+  152.061 5.4502 54
+  153.062 4.0135 40
+  154.066 0.7818 8
+  161.04 0.3814 4
+  162.047 0.9961 10
+  163.055 5.3408 53
+  164.055 8.8351 88
+  164.186 0.1979 2
+  165.071 42.6497 426
+  165.64 0.1229 1
+  166.072 23.4514 234
+  166.629 0.1261 1
+  167.076 5.1996 52
+  168.079 0.5185 5
+  175.044 0.3636 4
+  176.053 1.1006 11
+  177.058 6.1147 61
+  178.066 14.3073 143
+  179.069 1.9851 20
+  188.05 1.2431 12
+  189.057 1.0768 11
+  190.066 10.8146 108
+  190.183 0.158 2
+  191.073 8.5763 86
+  191.204 0.3454 3
+  192.081 32.3014 323
+  192.212 1.0692 11
+  192.685 0.1373 1
+  192.775 0.1516 2
+  193.089 100 999
+  193.776 0.319 3
+  194.093 15.0142 150
+  194.761 0.193 2
+  195.096 1.0699 11
+  195.274 0.142 1
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ02436.txt b/MSSJ/MSBNK-MSSJ-MSJ02436.txt
new file mode 100644
index 00000000000..b07ebdaeba0
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ02436.txt
@@ -0,0 +1,154 @@
+ACCESSION: MSBNK-MSSJ-MSJ02436
+RECORD_TITLE: 2-Allyl-6-methoxybenzonitrile; GC-EI-TOF; MS; POSITIVE; 70 V
+DATE: 2023.10.01
+AUTHORS: Eiyu Imai and Takemichi Nakamura, Molecular Structure Characterization Unit, RIKEN, Japan
+LICENSE: CC BY
+COPYRIGHT: Eiyu Imai and Takemichi Nakamura, Molecular Structure Characterization Unit, RIKEN, Japan
+PUBLICATION: Yuto Sumida, Tomoe Sumida, Daisuke Hashizume, and Takamitsu Hosoya; Org. Lett. 2016, 18, 5600−5603. DOI: 10.1021/acs.orglett.6b02831.
+COMMENT: Original ID of the mass spectral data is A_201511-1601_sumida4MB/TK15_ei.xlsx
+COMMENT: JMS-T100GCV (JEOL, Akishima, Japan) is a reflectron time-of-flight (reTOF) mass spectrometer. Temperature of the ion-source and GC-transfer line were 200 C and 200 C, respectively. Resolving power (FWHM, nominal) was 7000.
+COMMENT: EI voltage was 70 V. Typical accuracy level expected was 5 ppm. The m/z value was adjusted with 173.08406.
+CH$NAME: 2-Allyl-6-methoxybenzonitrile
+CH$COMPOUND_CLASS: Non-natural compound
+CH$FORMULA: C11H11NO
+CH$EXACT_MASS: 173.08406
+CH$SMILES: COc1cccc(CC=C)c1C#N
+CH$IUPAC: InChI=1S/C11H11NO/c1-3-5-9-6-4-7-11(13-2)10(9)8-12/h3-4,6-7H,1,5H2,2H3
+CH$LINK: INCHIKEY QJICRIJVLSCDNR-UHFFFAOYSA-N
+AC$INSTRUMENT: JMS-T100GCV (JEOL, Akishima, Japan) coupled to Agilent 7890A (Santa Clara, CA, USA) gas chromatograph.
+AC$INSTRUMENT_TYPE: GC-EI-TOF
+AC$MASS_SPECTROMETRY: MS_TYPE MS
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION EI
+AC$CHROMATOGRAPHY: CARRIER_GAS He, flow rate 1.5 ml/min
+AC$CHROMATOGRAPHY: COLUMN_NAME HP-5 19091J-413 USD364547H (Agilent, Wilmington, USA) with the length 30.0 m, I.D. 0.32 mm, and thickness 0.25 micrometer.
+AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE Initial oven temperature at 70 C for 4 min and ramped at the rate of 30 C/min to 325 C and held at the final temperature for 1.5 min.
+AC$CHROMATOGRAPHY: INJECTION_TEMPERATURE 250 C
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.51 min
+PK$SPLASH: splash10-00dl-3900000000-c36d48d0104fc37b480b
+PK$NUM_PEAK: 123
+PK$PEAK: m/z int. rel.int.
+  26.016 1.1747 12
+  27.024 7.0948 71
+  28.007 1.1923 12
+  28.02 1.0069 10
+  29.004 0.9095 9
+  30.035 0.6753 7
+  31.991 0.7332 7
+  37.009 1.0633 11
+  38.016 3.9968 40
+  39.024 20.9516 209
+  39.075 0.2146 2
+  40.03 1.4667 15
+  41.04 4.5148 45
+  42.036 0.7883 8
+  43.019 0.427 4
+  46.03 0.8219 8
+  50.016 7.5184 75
+  51.024 14.7825 148
+  51.081 0.1756 2
+  52.031 4.033 40
+  53.004 0.9422 9
+  53.04 1.8921 19
+  54.011 0.2501 2
+  54.036 0.2842 3
+  55.019 2.119 21
+  57.528 0.3448 3
+  58.53 1.0456 10
+  61.009 1.7304 17
+  62.016 7.955 79
+  63.024 12.4285 124
+  63.086 0.1491 1
+  64.021 4.3511 43
+  65.039 4.6542 46
+  66.012 0.3431 3
+  66.036 1.3176 13
+  67.014 0.1324 1
+  67.043 0.1626 2
+  68.027 0.4095 4
+  70.53 0.8723 9
+  71.033 0.2562 3
+  71.538 0.7681 8
+  73.008 0.3662 4
+  74.017 3.5703 36
+  75.023 7.3586 74
+  76.031 12.1338 121
+  76.095 0.1944 2
+  77.04 28.7005 287
+  77.107 0.3292 3
+  78.045 5.3865 54
+  79.051 0.7716 8
+  80.015 0.6199 6
+  80.052 0.1762 2
+  85.008 0.2992 3
+  86.016 0.997 10
+  87.02 1.9566 20
+  88.023 4.7208 47
+  89.039 13.4741 135
+  89.108 0.1964 2
+  90.04 4.0683 41
+  91.055 6.0627 61
+  92.027 0.338 3
+  92.056 0.7257 7
+  98.016 0.3185 3
+  99.013 1.0136 10
+  100.026 1.3361 13
+  101.039 5.5374 55
+  102.046 11.8092 118
+  102.12 0.1718 2
+  103.054 34.0072 340
+  104.053 8.5837 86
+  105.036 1.0988 11
+  106.037 0.2011 2
+  107.05 0.1906 2
+  112.023 0.2998 3
+  113.04 2.521 25
+  114.043 5.0764 51
+  115.055 34.2656 342
+  115.191 0.4261 4
+  116.06 25.7208 257
+  117.023 1.0567 11
+  117.064 8.1928 82
+  118.066 3.0599 31
+  119.048 0.5236 5
+  120.047 0.2011 2
+  121.065 0.2521 3
+  126.045 0.4975 5
+  127.054 8.7255 87
+  127.143 0.1299 1
+  128.06 20.1276 201
+  129.068 10.8153 108
+  130.067 18.9661 189
+  130.233 0.1269 1
+  131.051 5.6316 56
+  132.048 2.8023 28
+  133.057 0.4421 4
+  139.043 0.4117 4
+  140.051 11.4972 115
+  140.146 0.1475 1
+  141.057 4.3291 43
+  142.066 23.8166 238
+  143.074 54.0606 540
+  143.604 0.1491 1
+  144.081 28.5303 285
+  144.598 0.1225 1
+  145.07 4.4279 44
+  146.062 5.6831 57
+  147.076 1.2726 13
+  154.066 23.6802 237
+  154.244 0.1451 1
+  155.052 7.4982 75
+  156.05 3.1285 31
+  157.059 3.34 33
+  158.061 13.0596 130
+  159.065 1.4548 15
+  170.061 0.7546 8
+  171.069 0.4161 4
+  172.076 26.1815 262
+  172.205 0.5315 5
+  173.084 100 999
+  173.735 0.3021 3
+  174.088 11.7801 118
+  174.666 0.1799 2
+  175.09 0.9177 9
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ02437.txt b/MSSJ/MSBNK-MSSJ-MSJ02437.txt
new file mode 100644
index 00000000000..38a073078a4
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ02437.txt
@@ -0,0 +1,158 @@
+ACCESSION: MSBNK-MSSJ-MSJ02437
+RECORD_TITLE: 2-Allyl-3-methoxybenzonitrile; GC-EI-TOF; MS; POSITIVE; 70 V
+DATE: 2023.10.01
+AUTHORS: Eiyu Imai and Takemichi Nakamura, Molecular Structure Characterization Unit, RIKEN, Japan
+LICENSE: CC BY
+COPYRIGHT: Eiyu Imai and Takemichi Nakamura, Molecular Structure Characterization Unit, RIKEN, Japan
+PUBLICATION: Yuto Sumida, Tomoe Sumida, Daisuke Hashizume, and Takamitsu Hosoya; Org. Lett. 2016, 18, 5600−5603. DOI: 10.1021/acs.orglett.6b02831.
+COMMENT: Original ID of the mass spectral data is A_201511-1601_sumida4MB/TK16_ei.xlsx
+COMMENT: JMS-T100GCV (JEOL, Akishima, Japan) is a reflectron time-of-flight (reTOF) mass spectrometer. Temperature of the ion-source and GC-transfer line were 200 C and 200 C, respectively. Resolving power (FWHM, nominal) was 7000.
+COMMENT: EI voltage was 70 V. Typical accuracy level expected was 5 ppm. The m/z value was adjusted with 173.08406.
+CH$NAME: 2-Allyl-3-methoxybenzonitrile
+CH$COMPOUND_CLASS: Non-natural compound
+CH$FORMULA: C11H11NO
+CH$EXACT_MASS: 173.08406
+CH$SMILES: COC1=CC=CC(=C1CC=C)C#N
+CH$IUPAC: InChI=1S/C11H11NO/c1-3-5-10-9(8-12)6-4-7-11(10)13-2/h3-4,6-7H,1,5H2,2H3
+CH$LINK: INCHIKEY ZFBLXKYYQSRPDC-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:69266577
+AC$INSTRUMENT: JMS-T100GCV (JEOL, Akishima, Japan) coupled to Agilent 7890A (Santa Clara, CA, USA) gas chromatograph.
+AC$INSTRUMENT_TYPE: GC-EI-TOF
+AC$MASS_SPECTROMETRY: MS_TYPE MS
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION EI
+AC$CHROMATOGRAPHY: CARRIER_GAS He, flow rate 1.5 ml/min
+AC$CHROMATOGRAPHY: COLUMN_NAME HP-5 19091J-413 USD364547H (Agilent, Wilmington, USA) with the length 30.0 m, I.D. 0.32 mm, and thickness 0.25 micrometer.
+AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE Initial oven temperature at 70 C for 4 min and ramped at the rate of 30 C/min to 325 C and held at the final temperature for 1.5 min.
+AC$CHROMATOGRAPHY: INJECTION_TEMPERATURE 250 C
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.20 min
+PK$SPLASH: splash10-0ac0-3900000000-0fd7a6adc014036f899a
+PK$NUM_PEAK: 126
+PK$PEAK: m/z int. rel.int.
+  26.016 1.219 12
+  27.024 7.0413 70
+  28.007 1.2915 13
+  28.02 0.7276 7
+  29.004 0.9572 10
+  29.04 0.9148 9
+  31.019 0.3533 4
+  31.991 0.812 8
+  37.009 0.819 8
+  38.017 2.9084 29
+  39.024 17.4016 174
+  39.073 0.1959 2
+  40.03 0.9759 10
+  41.04 2.8427 28
+  42.044 0.2088 2
+  43.019 0.9213 9
+  49.009 0.3321 3
+  50.016 7.8075 78
+  51.024 15.023 150
+  51.077 0.1637 2
+  51.528 0.2818 3
+  52.03 3.4367 34
+  53.004 1.1208 11
+  53.04 1.4601 15
+  54.038 0.2067 2
+  55.019 1.4465 14
+  57.527 0.28 3
+  58.53 0.471 5
+  61.009 1.3093 13
+  62.016 5.5517 55
+  63.024 12.4903 125
+  63.089 0.1355 1
+  64.022 3.7266 37
+  64.529 0.4031 4
+  65.038 3.8217 38
+  65.526 0.345 3
+  66.038 0.47 5
+  70.53 0.4298 4
+  73.009 0.2898 3
+  74.016 3.9126 39
+  75.024 8.4474 84
+  76.03 10.8624 109
+  76.096 0.1739 2
+  77.04 20.2594 202
+  77.106 0.2636 3
+  77.161 0.135 1
+  78.044 3.115 31
+  78.527 3.8421 38
+  79.029 0.6065 6
+  80.015 0.4 4
+  85.009 0.2995 3
+  86.016 1.3077 13
+  87.023 2.4489 24
+  88.027 4.0882 41
+  89.04 22.7317 227
+  89.114 0.2563 3
+  90.038 4.9345 49
+  91.054 2.8455 28
+  92.057 0.333 3
+  98.017 0.4038 4
+  99.016 0.7659 8
+  100.026 1.0791 11
+  101.039 4.7562 48
+  102.043 7.8235 78
+  102.116 0.1433 1
+  103.054 30.6731 306
+  104.052 8.8087 88
+  104.133 0.1405 1
+  105.055 0.7414 7
+  107.051 0.4349 4
+  111.016 0.183 2
+  112.025 0.3263 3
+  113.039 4.5932 46
+  114.043 7.5713 76
+  114.127 0.1369 1
+  115.054 14.8187 148
+  115.142 0.2032 2
+  116.051 46.4123 464
+  116.531 0.1259 1
+  117.056 5.1231 51
+  118.066 1.4174 14
+  119.048 0.5878 6
+  120.051 0.252 3
+  121.067 0.2946 3
+  126.037 0.2198 2
+  127.046 1.7156 17
+  128.051 4.5418 45
+  129.058 1.7778 18
+  130.066 63.8463 638
+  130.565 0.1675 2
+  130.637 0.1653 2
+  131.053 10.2128 102
+  132.046 6.6962 67
+  133.053 0.9833 10
+  134.059 0.2421 2
+  139.042 0.4385 4
+  140.05 15.9173 159
+  140.151 0.1981 2
+  141.056 3.9439 39
+  142.066 5.893 59
+  143.038 2.3926 24
+  143.073 6.2278 62
+  143.142 0.1192 1
+  144.045 9.7685 98
+  144.081 5.4907 55
+  145.063 2.2754 23
+  146.065 6.7844 68
+  147.069 1.6199 16
+  154.066 0.6495 6
+  155.065 0.1872 2
+  156.045 7.6648 77
+  157.051 1.9552 20
+  158.061 100 999
+  158.681 0.3033 3
+  159.064 10.8514 108
+  159.572 0.1685 2
+  160.067 0.8432 8
+  160.26 0.1954 2
+  172.076 5.818 58
+  173.084 77.7815 777
+  173.343 0.1643 2
+  173.66 0.1893 2
+  173.736 0.2179 2
+  174.087 9.1739 92
+  174.672 0.1279 1
+  175.09 0.7225 7
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ02438.txt b/MSSJ/MSBNK-MSSJ-MSJ02438.txt
new file mode 100644
index 00000000000..f412f1ec254
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ02438.txt
@@ -0,0 +1,175 @@
+ACCESSION: MSBNK-MSSJ-MSJ02438
+RECORD_TITLE: 10-Allylphenanthrene-9-carbonitrile; GC-EI-TOF; MS; POSITIVE; 70 V
+DATE: 2023.10.01
+AUTHORS: Eiyu Imai and Takemichi Nakamura, Molecular Structure Characterization Unit, RIKEN, Japan
+LICENSE: CC BY
+COPYRIGHT: Eiyu Imai and Takemichi Nakamura, Molecular Structure Characterization Unit, RIKEN, Japan
+PUBLICATION: Yuto Sumida, Tomoe Sumida, Daisuke Hashizume, and Takamitsu Hosoya; Org. Lett. 2016, 18, 5600−5603. DOI: 10.1021/acs.orglett.6b02831.
+COMMENT: Original ID of the mass spectral data is A_201511-1601_sumida4MB/TK17_ei.xlsx
+COMMENT: JMS-T100GCV (JEOL, Akishima, Japan) is a reflectron time-of-flight (reTOF) mass spectrometer. Temperature of the ion-source and GC-transfer line were 200 C and 200 C, respectively. Resolving power (FWHM, nominal) was 7000.
+COMMENT: EI voltage was 70 V. Typical accuracy level expected was 5 ppm. The m/z value was adjusted with 243.104795.
+CH$NAME: 10-Allylphenanthrene-9-carbonitrile
+CH$COMPOUND_CLASS: Non-natural compound
+CH$FORMULA: C18H13N
+CH$EXACT_MASS: 243.104795
+CH$SMILES: N#Cc1c2ccccc2c2ccccc2c1CC=C
+CH$IUPAC: InChI=1S/C18H13N/c1-2-7-13-14-8-3-4-9-15(14)16-10-5-6-11-17(16)18(13)12-19/h2-6,8-11H,1,7H2
+CH$LINK: INCHIKEY HFIHBMVJPQBUAQ-UHFFFAOYSA-N
+AC$INSTRUMENT: JMS-T100GCV (JEOL, Akishima, Japan) coupled to Agilent 7890A (Santa Clara, CA, USA) gas chromatograph.
+AC$INSTRUMENT_TYPE: GC-EI-TOF
+AC$MASS_SPECTROMETRY: MS_TYPE MS
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION EI
+AC$CHROMATOGRAPHY: CARRIER_GAS He, flow rate 1.5 ml/min
+AC$CHROMATOGRAPHY: COLUMN_NAME HP-5 19091J-413 USD364547H (Agilent, Wilmington, USA) with the length 30.0 m, I.D. 0.32 mm, and thickness 0.25 micrometer.
+AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE Initial oven temperature at 70 C for 4 min and ramped at the rate of 30 C/min to 325 C and held at the final temperature for 1.5 min.
+AC$CHROMATOGRAPHY: INJECTION_TEMPERATURE 250 C
+AC$CHROMATOGRAPHY: RETENTION_TIME 11.44 min
+PK$SPLASH: splash10-0006-0390000000-dc0f406c349d797dddb1
+PK$NUM_PEAK: 144
+PK$PEAK: m/z int. rel.int.
+  27.024 1.5347 15
+  28.007 1.4173 14
+  31.991 0.7349 7
+  39.025 2.0677 21
+  41.04 0.5001 5
+  50.017 0.6497 6
+  51.025 1.1 11
+  52.032 0.2044 2
+  62.017 0.6543 7
+  63.025 2.1467 21
+  64.03 0.2412 2
+  74.017 1.1519 12
+  75.025 1.5409 15
+  76.031 0.6901 7
+  77.04 0.5362 5
+  81.025 0.3922 4
+  81.529 1.2745 13
+  86.017 0.7805 8
+  87.025 1.9835 20
+  87.528 0.2169 2
+  88.031 0.996 10
+  89.04 0.5866 6
+  93.025 0.5023 5
+  93.529 3.087 31
+  94.032 2.1884 22
+  94.536 4.9515 49
+  95.039 1.4149 14
+  95.539 0.5391 5
+  98.017 0.7263 7
+  99.024 1.0908 11
+  99.529 0.533 5
+  100.032 3.2695 33
+  100.536 1.4583 15
+  101.039 0.812 8
+  102.046 0.2805 3
+  105.529 1.4552 15
+  106.032 1.9666 20
+  106.536 6.5315 65
+  106.606 0.1416 1
+  107.04 4.6742 47
+  107.544 6.3609 64
+  108.048 4.2114 42
+  108.548 1.1534 12
+  110.017 0.4533 5
+  111.024 0.6254 6
+  112.026 0.3692 4
+  113.038 1.0348 10
+  113.538 0.4933 5
+  114.042 3.0782 31
+  114.543 0.5061 5
+  115.056 0.5771 6
+  119.538 0.9648 10
+  120.041 0.6581 7
+  120.546 9.0808 91
+  120.611 0.184 2
+  121.049 3.224 32
+  121.553 2.3482 23
+  122.018 0.279 3
+  122.055 0.4455 4
+  123.024 0.4259 4
+  124.029 0.3462 3
+  125.04 0.3132 3
+  126.048 0.7556 8
+  127.052 0.2526 3
+  135.024 0.2157 2
+  137.04 0.8171 8
+  138.042 0.4605 5
+  139.056 1.1175 11
+  140.052 0.7362 7
+  149.04 0.9832 10
+  150.048 2.5326 25
+  151.054 1.3846 14
+  152.062 0.9679 10
+  161.04 0.9664 10
+  162.047 1.4335 14
+  163.056 4.8071 48
+  164.057 2.3636 24
+  165.071 3.2533 33
+  166.074 0.5514 6
+  173.039 0.2802 3
+  174.048 2.4393 24
+  175.052 2.7413 27
+  176.061 2.9971 30
+  177.061 1.9201 19
+  178.073 0.4245 4
+  185.04 0.59 6
+  186.047 1.4394 14
+  187.056 7.3843 74
+  187.179 0.1672 2
+  188.059 6.1771 62
+  188.185 0.213 2
+  189.07 14.0789 141
+  190.068 9.4434 94
+  191.072 1.3938 14
+  198.048 0.5297 5
+  199.052 1.298 13
+  200.062 4.0473 40
+  201.066 8.2031 82
+  202.076 6.7751 68
+  202.201 0.1838 2
+  203.082 6.1662 62
+  204.085 1.014 10
+  210.044 0.287 3
+  211.055 2.043 20
+  212.054 3.3858 34
+  213.069 8.8095 88
+  213.196 0.2346 2
+  214.068 14.9835 150
+  215.086 40.1093 401
+  215.743 0.1331 1
+  215.812 0.1447 1
+  216.088 16.2656 162
+  217.094 3.4002 34
+  218.099 0.4102 4
+  224.055 0.167 2
+  225.059 1.411 14
+  226.067 2.7481 27
+  227.074 19.6357 196
+  227.204 0.4571 5
+  227.282 0.1355 1
+  228.081 58.3795 583
+  228.824 0.1621 2
+  228.864 0.1297 1
+  229.085 10.1566 101
+  230.088 0.9231 9
+  230.24 0.1762 2
+  236.051 0.3905 4
+  237.057 0.2618 3
+  238.066 3.3984 34
+  239.072 1.3449 13
+  240.082 13.9339 139
+  240.212 0.2877 3
+  241.089 14.2085 142
+  241.221 0.4119 4
+  241.301 0.126 1
+  242.097 33.8723 338
+  242.227 0.863 9
+  242.408 0.1449 1
+  243.105 100 999
+  243.88 0.2596 3
+  244.108 18.9696 190
+  244.947 0.1198 1
+  245.112 1.6951 17
+  246.118 0.1726 2
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ02439.txt b/MSSJ/MSBNK-MSSJ-MSJ02439.txt
new file mode 100644
index 00000000000..9aa0a55cb09
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ02439.txt
@@ -0,0 +1,141 @@
+ACCESSION: MSBNK-MSSJ-MSJ02439
+RECORD_TITLE: Methyl 4-(3-methylnaphthalen-2-yl)butanoate; GC-EI-TOF; MS; POSITIVE; 70 V
+DATE: 2023.09.30
+AUTHORS: Eiyu Imai and Takemichi Nakamura, Molecular Structure Characterization Unit, RIKEN, Japan
+LICENSE: CC BY
+COPYRIGHT: Eiyu Imai and Takemichi Nakamura, Molecular Structure Characterization Unit, RIKEN, Japan
+PUBLICATION: Yuto Sumida, Tomoe Sumida, Daisuke Hashizume, and Takamitsu Hosoya; Org. Lett. 2016, 18, 5600−5603. DOI: 10.1021/acs.orglett.6b02831.
+COMMENT: Original ID of the mass spectral data is A_201511-1601_sumida4MB/TK19_ei.xlsx
+COMMENT: JMS-T100GCV (JEOL, Akishima, Japan) is a reflectron time-of-flight (reTOF) mass spectrometer. Temperature of the ion-source and GC-transfer line were 250 C and 250 C, respectively. Resolving power (FWHM, nominal) was 7000.
+COMMENT: EI voltage was 70 V. Typical accuracy level expected was 5 ppm. The m/z value was adjusted with 242.13068.
+CH$NAME: Methyl 4-(3-methylnaphthalen-2-yl)butanoate
+CH$COMPOUND_CLASS: Non-natural compound
+CH$FORMULA: C16H18O2
+CH$EXACT_MASS: 242.13068
+CH$SMILES: O=C(OC)CCCc1cc2ccccc2cc1C
+CH$IUPAC: InChI=1S/C16H18O2/c1-12-10-14-6-3-4-7-15(14)11-13(12)8-5-9-16(17)18-2/h3-4,6-7,10-11H,5,8-9H2,1-2H3
+CH$LINK: INCHIKEY SJDDQZSLBFQTRE-UHFFFAOYSA-N
+AC$INSTRUMENT: JMS-T100GCV (JEOL, Akishima, Japan) coupled to Agilent 7890A (Santa Clara, CA, USA) gas chromatograph.
+AC$INSTRUMENT_TYPE: GC-EI-TOF
+AC$MASS_SPECTROMETRY: MS_TYPE MS
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION EI
+AC$CHROMATOGRAPHY: CARRIER_GAS He, flow rate 1.5 ml/min
+AC$CHROMATOGRAPHY: COLUMN_NAME ZB1-MS 7HM-G011-11 30x0.32 0.25um 313446 (Agilent, Wilmington, USA) with the length 30.0 m, I.D. 0.32 mm, and thickness 0.25 micrometer.
+AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE Initial oven temperature at 70 C for 4 min and ramped at the rate of 30 C/min to 325 C and held at the final temperature for 1.5 min.
+AC$CHROMATOGRAPHY: INJECTION_TEMPERATURE 250 C
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.45 min
+PK$SPLASH: splash10-066r-1910000000-52060775f7f54c8268ae
+PK$NUM_PEAK: 110
+PK$PEAK: m/z int. rel.int.
+  39.024 1.3942 14
+  39.962 0.9176 9
+  41.039 1.4992 15
+  42.011 0.4858 5
+  43.018 1.3531 14
+  45.034 0.4284 4
+  50.016 0.3352 3
+  51.024 1.2986 13
+  52.031 0.2941 3
+  53.039 0.5754 6
+  55.018 1.8815 19
+  59.014 3.4856 35
+  59.05 0.2517 3
+  63.023 1.6489 16
+  64.031 0.9207 9
+  65.039 0.8916 9
+  69.033 0.3006 3
+  69.527 0.2525 3
+  70.536 0.2647 3
+  74.037 1.1093 11
+  75.023 0.781 8
+  76.031 2.8089 28
+  76.535 1.5221 15
+  77.039 4.1481 41
+  77.543 5.2606 53
+  78.045 1.2925 13
+  82.031 0.9141 9
+  82.535 1.2972 13
+  83.039 1.5669 16
+  83.542 0.6945 7
+  84.046 0.2781 3
+  87.044 3.3661 34
+  88.032 0.4208 4
+  89.039 2.2499 22
+  89.542 0.4609 5
+  90.046 0.5008 5
+  90.551 0.761 8
+  91.054 1.3441 13
+  91.559 1.4903 15
+  92.06 0.318 3
+  93.052 0.2275 2
+  101.039 0.5494 5
+  102.047 1.1889 12
+  103.054 0.5454 5
+  105.055 0.1446 1
+  105.557 0.7866 8
+  113.039 0.6411 6
+  114.046 0.5042 5
+  115.054 15.4356 154
+  116.059 2.1234 21
+  121.066 1.6832 17
+  121.568 0.3324 3
+  126.046 1.4941 15
+  127.054 7.7655 78
+  128.062 15.6426 156
+  129.069 7.4324 74
+  130.073 0.7339 7
+  138.046 0.2174 2
+  139.054 6.391 64
+  140.06 1.7527 18
+  141.07 10.669 107
+  142.077 5.3204 53
+  143.082 0.9439 9
+  150.047 0.7012 7
+  151.054 3.5406 35
+  152.062 17.6087 176
+  152.192 0.3876 4
+  153.069 27.4551 274
+  153.334 0.2695 3
+  153.603 0.125 1
+  154.077 13.4707 135
+  155.086 85.5151 854
+  155.704 0.2297 2
+  156.091 17.8278 178
+  156.597 0.1605 2
+  157.095 1.6301 16
+  163.054 0.6363 6
+  164.062 0.9442 9
+  165.07 12.3328 123
+  166.076 5.7828 58
+  166.196 0.139 1
+  167.085 19.4758 195
+  167.217 0.6426 6
+  168.093 100 999
+  168.685 0.3184 3
+  169.098 17.0203 170
+  169.663 0.2159 2
+  170.102 1.4695 15
+  170.614 0.129 1
+  170.68 0.12 1
+  171.091 0.2067 2
+  176.063 0.3921 4
+  177.069 0.2973 3
+  178.078 1.6687 17
+  179.084 0.8623 9
+  180.091 0.2838 3
+  181.101 2.516 25
+  182.108 2.0852 21
+  183.115 0.9224 9
+  193.101 1.4352 14
+  194.104 0.2703 3
+  195.081 0.1994 2
+  209.097 0.257 3
+  210.103 0.8673 9
+  211.112 9.3514 93
+  212.116 1.5533 16
+  242.131 45.6274 456
+  242.846 0.1494 1
+  243.134 8.1013 81
+  244.137 0.8937 9
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ02440.txt b/MSSJ/MSBNK-MSSJ-MSJ02440.txt
new file mode 100644
index 00000000000..182f18f0dbf
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ02440.txt
@@ -0,0 +1,145 @@
+ACCESSION: MSBNK-MSSJ-MSJ02440
+RECORD_TITLE: S-Ethyl 4-(4-methoxyphenyl)butanethioate; GC-EI-TOF; MS; POSITIVE; 70 V
+DATE: 2023.10.01
+AUTHORS: Eiyu Imai and Takemichi Nakamura, Molecular Structure Characterization Unit, RIKEN, Japan
+LICENSE: CC BY
+COPYRIGHT: Eiyu Imai and Takemichi Nakamura, Molecular Structure Characterization Unit, RIKEN, Japan
+PUBLICATION: Hidenori Ochiai, Yuta Uetake, Takashi Niwa, and Takamitsu Hosoya; Angew. Chem. Int. Ed. 2017, 56, 2482–2486. DOI: 10.1002/anie.201611974.
+COMMENT: Original ID of the mass spectral data is A_201604-1612_uetake-ochiai4MB/HOSY02-1_ei.xlsx
+COMMENT: JMS-T100GCV (JEOL, Akishima, Japan) is a reflectron time-of-flight (reTOF) mass spectrometer. Temperature of the ion-source and GC-transfer line were 200 C and 250 C, respectively. Resolving power (FWHM, nominal) was 7000.
+COMMENT: EI voltage was 70 V. Typical accuracy level expected was 5 ppm. The m/z value was adjusted with 238.10275.
+CH$NAME: S-Ethyl 4-(4-methoxyphenyl)butanethioate
+CH$COMPOUND_CLASS: Non-natural compound
+CH$FORMULA: C13H18O2S
+CH$EXACT_MASS: 238.102751
+CH$SMILES: CCSC(=O)CCCC1=CC=C(C=C1)OC
+CH$IUPAC: InChI=1S/C13H18O2S/c1-3-16-13(14)6-4-5-11-7-9-12(15-2)10-8-11/h7-10H,3-6H2,1-2H3
+CH$LINK: INCHIKEY DEFKHRYGIQGFRI-UHFFFAOYSA-N
+AC$INSTRUMENT: JMS-T100GCV (JEOL, Akishima, Japan) coupled to Agilent 7890A (Santa Clara, CA, USA) gas chromatograph.
+AC$INSTRUMENT_TYPE: GC-EI-TOF
+AC$MASS_SPECTROMETRY: MS_TYPE MS
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION EI
+AC$CHROMATOGRAPHY: CARRIER_GAS He, flow rate 1.5 ml/min
+AC$CHROMATOGRAPHY: COLUMN_NAME HP-5MS 30x0.25 0.25um 19091S-4 (Agilent, Wilmington, USA) with the length 30.0 m, I.D. 0.25 mm, and thickness 0.25 micrometer.
+AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE Initial oven temperature at 50 C for 4 min and ramped at the rate of 30 C/min to 300 C and held at the final temperature for 1.67 min.
+AC$CHROMATOGRAPHY: INJECTION_TEMPERATURE 250 C
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.73 min
+PK$SPLASH: splash10-00c0-3900000000-fa284cb918ea7d39fd43
+PK$NUM_PEAK: 114
+PK$PEAK: m/z int. rel.int.
+  26.016 0.8698 9
+  27.023 9.2924 93
+  27.066 0.1262 1
+  28.006 1.0117 10
+  28.031 4.3116 43
+  29.003 0.3526 4
+  29.039 10.7723 108
+  29.079 0.133 1
+  31.989 0.4166 4
+  34.996 3.2898 33
+  38.015 0.3459 3
+  39.023 4.0358 40
+  40.03 0.4311 4
+  41.039 4.7922 48
+  42.011 0.5242 5
+  43.018 0.4639 5
+  44.98 2.221 22
+  45.988 1.3407 13
+  46.995 1.2067 12
+  50.015 1.1858 12
+  51.023 4.5726 46
+  52.031 4.048 40
+  53.002 0.3079 3
+  53.038 1.5427 15
+  55.018 2.3157 23
+  57.988 0.8713 9
+  58.996 1.6153 16
+  60.003 0.6445 6
+  60.975 0.4576 5
+  61.011 2.4936 25
+  62.018 1.2507 12
+  63.023 3.1233 31
+  64.031 1.541 15
+  65.039 5.8007 58
+  66.045 0.6685 7
+  67.054 0.3465 3
+  69.033 1.0051 10
+  74.016 0.2711 3
+  74.548 0.9455 9
+  75.025 1.2125 12
+  75.998 0.6722 7
+  76.031 0.877 9
+  77.039 14.8572 148
+  78.047 23.2488 232
+  79.018 0.3025 3
+  79.053 3.6544 37
+  80.059 0.2158 2
+  88.04 0.2197 2
+  88.545 0.5039 5
+  89.006 0.7655 8
+  89.039 4.3678 44
+  90.046 3.276 33
+  91.054 17.3832 174
+  91.188 0.1326 1
+  92.026 0.7399 7
+  92.059 1.6824 17
+  93.034 0.3262 3
+  93.07 0.4001 4
+  94.041 0.7668 8
+  102.047 0.8594 9
+  103.055 3.8256 38
+  104.029 0.298 3
+  104.061 1.3837 14
+  105.034 0.6387 6
+  105.07 2.9638 30
+  106.042 3.0344 30
+  107.049 1.2393 12
+  108.057 1.4139 14
+  109.065 1.1468 11
+  115.055 3.5472 35
+  116.061 1.113 11
+  117.07 2.2296 22
+  118.041 0.6785 7
+  119.049 4.5408 45
+  120.056 1.411 14
+  121.065 100 999
+  121.611 0.2763 3
+  122.069 8.6526 86
+  122.395 0.1397 1
+  123.071 0.5067 5
+  127.054 0.569 6
+  128.062 0.3975 4
+  129.07 0.3075 3
+  131.05 0.8573 9
+  132.057 0.7391 7
+  133.065 1.7512 17
+  134.073 91.7155 916
+  134.645 0.2629 3
+  135.078 18.187 182
+  135.48 0.1677 2
+  136.082 1.4562 15
+  144.057 6.5262 65
+  145.062 0.8921 9
+  146.072 0.2657 3
+  147.081 4.3048 43
+  148.088 3.803 38
+  149.096 3.8771 39
+  150.099 0.4513 5
+  153.038 0.5056 5
+  159.081 10.3984 104
+  160.084 1.3271 13
+  175.076 0.4678 5
+  176.083 1.3145 13
+  177.091 61.0701 610
+  177.684 0.1885 2
+  178.095 7.3027 73
+  178.704 0.124 1
+  179.098 0.6509 7
+  181.069 0.3963 4
+  209.064 0.4292 4
+  238.103 32.6353 326
+  239.106 4.6728 47
+  240.101 1.6873 17
+  241.104 0.2413 2
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ02441.txt b/MSSJ/MSBNK-MSSJ-MSJ02441.txt
new file mode 100644
index 00000000000..42e976aa419
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ02441.txt
@@ -0,0 +1,79 @@
+ACCESSION: MSBNK-MSSJ-MSJ02441
+RECORD_TITLE: S-Ethyl 2-methoxybenzothioate; GC-EI-TOF; MS; POSITIVE; 70 V
+DATE: 2023.10.01
+AUTHORS: Eiyu Imai and Takemichi Nakamura, Molecular Structure Characterization Unit, RIKEN, Japan
+LICENSE: CC BY
+COPYRIGHT: Eiyu Imai and Takemichi Nakamura, Molecular Structure Characterization Unit, RIKEN, Japan
+PUBLICATION: Hidenori Ochiai, Yuta Uetake, Takashi Niwa, and Takamitsu Hosoya; Angew. Chem. Int. Ed. 2017, 56, 2482–2486. DOI: 10.1002/anie.201611974.
+COMMENT: Original ID of the mass spectral data is A_201604-1612_uetake-ochiai4MB/HO6Y18-1_ei.xlsx
+COMMENT: JMS-T100GCV (JEOL, Akishima, Japan) is a reflectron time-of-flight (reTOF) mass spectrometer. Temperature of the ion-source and GC-transfer line were 200 C and 250 C, respectively. Resolving power (FWHM, nominal) was 7000.
+COMMENT: EI voltage was 70 V. Typical accuracy level expected was 5 ppm. The m/z value was adjusted with 196.05580.
+CH$NAME: S-Ethyl 2-methoxybenzothioate
+CH$COMPOUND_CLASS: Non-natural compound
+CH$FORMULA: C10H12O2S
+CH$EXACT_MASS: 196.055801
+CH$SMILES: COc1ccccc1C(=O)SCC
+CH$IUPAC: InChI=1S/C10H12O2S/c1-3-13-10(11)8-6-4-5-7-9(8)12-2/h4-7H,3H2,1-2H3
+CH$LINK: INCHIKEY CYIZIBKLXLTRMZ-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:73953311
+AC$INSTRUMENT: JMS-T100GCV (JEOL, Akishima, Japan) coupled to Agilent 7890A (Santa Clara, CA, USA) gas chromatograph.
+AC$INSTRUMENT_TYPE: GC-EI-TOF
+AC$MASS_SPECTROMETRY: MS_TYPE MS
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION EI
+AC$CHROMATOGRAPHY: CARRIER_GAS He, flow rate 1.5 ml/min
+AC$CHROMATOGRAPHY: COLUMN_NAME HP-5MS 30x0.25 0.25microm 19091S-4 (Agilent, Wilmington, USA) with the length 30.0 m, I.D. 0.25 mm, and thickness 0.25 micrometer.
+AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE Initial oven temperature at 70 C for 4 min and ramped at the rate of 30 C/min to 320 C and held at the final temperature for 1.67 min.
+AC$CHROMATOGRAPHY: INJECTION_TEMPERATURE 250 C
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.89 min
+PK$SPLASH: splash10-000i-9800000000-e1d19d5570a4532b1184
+PK$NUM_PEAK: 47
+PK$PEAK: m/z int. rel.int.
+  26.016 2.3861 24
+  27.024 10.7284 107
+  28.006 1.4637 15
+  28.032 1.8121 18
+  29.04 5.4002 54
+  34.997 3.1433 31
+  37.009 0.6149 6
+  38.016 1.7368 17
+  39.024 2.0934 21
+  44.981 3.1368 31
+  45.99 2.1604 22
+  46.996 0.7065 7
+  50.016 4.1671 42
+  51.024 6.0298 60
+  52.032 0.7343 7
+  53.003 1.1677 12
+  53.045 0.5266 5
+  57.989 1.6518 17
+  58.997 2.5349 25
+  60.004 0.7359 7
+  61.013 2.0312 20
+  62.017 1.7712 18
+  63.024 8.272 83
+  64.032 7.0781 71
+  65.039 1.8268 18
+  68.983 0.9436 9
+  74.017 1.4604 15
+  75.026 1.4146 14
+  76.032 2.8358 28
+  77.04 27.9609 279
+  78.044 2.5349 25
+  79.056 2.8375 28
+  92.027 15.1065 151
+  92.111 0.4514 5
+  93.031 1.2854 13
+  105.034 1.4752 15
+  109.013 0.7458 7
+  111.03 0.6754 7
+  112.615 0.4775 5
+  120.022 2.2471 22
+  135.045 100 999
+  135.288 0.5299 5
+  135.577 0.4187 4
+  136.048 8.3881 84
+  137.05 0.7278 7
+  157.453 0.4268 4
+  196.056 2.4973 25
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ02442.txt b/MSSJ/MSBNK-MSSJ-MSJ02442.txt
new file mode 100644
index 00000000000..b565248bef0
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ02442.txt
@@ -0,0 +1,38 @@
+ACCESSION: MSBNK-MSSJ-MSJ02442
+RECORD_TITLE: S-Ethyl 2-methoxybenzothioate; GC-FI-TOF; MS; POSITIVE; 10 kV
+DATE: 2023.10.01
+AUTHORS: Eiyu Imai and Takemichi Nakamura, Molecular Structure Characterization Unit, RIKEN, Japan
+LICENSE: CC BY
+COPYRIGHT: Eiyu Imai and Takemichi Nakamura, Molecular Structure Characterization Unit, RIKEN, Japan
+PUBLICATION: Hidenori Ochiai, Yuta Uetake, Takashi Niwa, and Takamitsu Hosoya; Angew. Chem. Int. Ed. 2017, 56, 2482–2486. DOI: 10.1002/anie.201611974.
+COMMENT: Original ID of the mass spectral data is A_201604-1612_uetake-ochiai4MB/HO6Y18-1_fi.xlsx
+COMMENT: JMS-T100GCV (JEOL, Akishima, Japan) is a reflectron time-of-flight (reTOF) mass spectrometer. Temperature of the ion-source and GC-transfer line were 200 C and 250 C, respectively. Resolving power (FWHM, nominal) was 7000.
+COMMENT: Typical accuracy level expected was 5 ppm. The m/z value was adjusted with 196.05580.
+CH$NAME: S-Ethyl 2-methoxybenzothioate
+CH$COMPOUND_CLASS: Non-natural compound
+CH$FORMULA: C10H12O2S
+CH$EXACT_MASS: 196.055801
+CH$SMILES: COc1ccccc1C(=O)SCC
+CH$IUPAC: InChI=1S/C10H12O2S/c1-3-13-10(11)8-6-4-5-7-9(8)12-2/h4-7H,3H2,1-2H3
+CH$LINK: INCHIKEY CYIZIBKLXLTRMZ-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:73953311
+AC$INSTRUMENT: JMS-T100GCV (JEOL, Akishima, Japan) coupled to Agilent 7890A (Santa Clara, CA, USA) gas chromatograph.
+AC$INSTRUMENT_TYPE: GC-FI-TOF
+AC$MASS_SPECTROMETRY: MS_TYPE MS
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION FI
+AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 10 kV
+AC$CHROMATOGRAPHY: CARRIER_GAS He, flow rate 1.5 ml/min
+AC$CHROMATOGRAPHY: COLUMN_NAME HP-5MS 30x0.25 0.25microm 19091S-4 (Agilent, Wilmington, USA) with the length 30.0 m, I.D. 0.25 mm, and thickness 0.25 micrometer.
+AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE Initial oven temperature at 70 C for 4 min and ramped at the rate of 30 C/min to 320 C and held at the final temperature for 1.67 min.
+AC$CHROMATOGRAPHY: INJECTION_TEMPERATURE 250 C
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.88 min
+PK$SPLASH: splash10-0002-0900000000-e97943f0e33906bf528a
+PK$NUM_PEAK: 5
+PK$PEAK: m/z int. rel.int.
+  135.04 6.6646 67
+  136.044 0.6996 7
+  196.056 100 999
+  197.059 11.607 116
+  198.053 5.1015 51
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ02443.txt b/MSSJ/MSBNK-MSSJ-MSJ02443.txt
new file mode 100644
index 00000000000..c2c0d7965ca
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ02443.txt
@@ -0,0 +1,86 @@
+ACCESSION: MSBNK-MSSJ-MSJ02443
+RECORD_TITLE: S-Dodecyl 4-phenylbenzothioate; GC-EI-TOF; MS; POSITIVE; 70 V
+DATE: 2023.10.01
+AUTHORS: Eiyu Imai and Takemichi Nakamura, Molecular Structure Characterization Unit, RIKEN, Japan
+LICENSE: CC BY
+COPYRIGHT: Eiyu Imai and Takemichi Nakamura, Molecular Structure Characterization Unit, RIKEN, Japan
+PUBLICATION: Hidenori Ochiai, Yuta Uetake, Takashi Niwa, and Takamitsu Hosoya; Angew. Chem. Int. Ed. 2017, 56, 2482–2486. DOI: 10.1002/anie.201611974.
+COMMENT: Original ID of the mass spectral data is A_201604-1612_uetake-ochiai4MB/HO5907-11_ei.xlsx
+COMMENT: JMS-T100GCV (JEOL, Akishima, Japan) is a reflectron time-of-flight (reTOF) mass spectrometer. Temperature of the ion-source and GC-transfer line were 200 C and 250 C, respectively. Resolving power (FWHM, nominal) was 7000.
+COMMENT: EI voltage was 70 V. Typical accuracy level expected was 5 ppm. The m/z value was adjusted with 382.23304.
+CH$NAME: S-Dodecyl 4-phenylbenzothioate
+CH$COMPOUND_CLASS: Non-natural compound
+CH$FORMULA: C25H34OS
+CH$EXACT_MASS: 382.233036
+CH$SMILES: O=C(SCCCCCCCCCCCC)c1ccc(cc1)c1ccccc1
+CH$IUPAC: InChI=1S/C25H34OS/c1-2-3-4-5-6-7-8-9-10-14-21-27-25(26)24-19-17-23(18-20-24)22-15-12-11-13-16-22/h11-13,15-20H,2-10,14,21H2,1H3
+CH$LINK: INCHIKEY KCGFUFKCWLTJKF-UHFFFAOYSA-N
+AC$INSTRUMENT: JMS-T100GCV (JEOL, Akishima, Japan) coupled to Agilent 7890A (Santa Clara, CA, USA) gas chromatograph.
+AC$INSTRUMENT_TYPE: GC-EI-TOF
+AC$MASS_SPECTROMETRY: MS_TYPE MS
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION EI
+AC$CHROMATOGRAPHY: CARRIER_GAS He, flow rate 1.5 ml/min
+AC$CHROMATOGRAPHY: COLUMN_NAME HP-5MS 30x0.25 0.25microm 19091S-4 (Agilent, Wilmington, USA) with the length 30.0 m, I.D. 0.25 mm, and thickness 0.25 micrometer.
+AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE Initial oven temperature at 50 C for 4 min and ramped at the rate of 30 C/min to 300 C and held at the final temperature for 7.67 min.
+AC$CHROMATOGRAPHY: INJECTION_TEMPERATURE 250 C
+AC$CHROMATOGRAPHY: RETENTION_TIME 16.10 min
+PK$SPLASH: splash10-001i-1900000000-85630874ec9c8e4d651e
+PK$NUM_PEAK: 55
+PK$PEAK: m/z int. rel.int.
+  27.023 0.4772 5
+  28.005 0.6809 7
+  29.039 1.3727 14
+  39.023 0.3708 4
+  41.039 3.3374 33
+  42.046 0.5865 6
+  43.055 4.6549 47
+  44.979 0.2608 3
+  46.995 0.3635 4
+  51.023 0.2676 3
+  55.054 2.4189 24
+  56.061 0.3642 4
+  57.07 1.7244 17
+  61.011 0.2996 3
+  67.055 0.3951 4
+  69.07 0.9381 9
+  71.086 0.308 3
+  73.047 0.5539 6
+  75.023 0.2749 3
+  76.031 0.2732 3
+  77.038 0.5829 6
+  83.085 0.2481 2
+  87.027 0.6015 6
+  101.041 0.3773 4
+  102.046 0.421 4
+  115.056 0.2724 3
+  126.047 0.6716 7
+  127.054 1.3585 14
+  135.062 0.2146 2
+  150.047 0.6179 6
+  151.055 3.6892 37
+  152.062 17.3398 173
+  152.193 0.3962 4
+  153.069 9.3634 94
+  154.074 1.1747 12
+  155.083 0.1922 2
+  180.058 0.2421 2
+  181.065 100 999
+  181.546 0.2005 2
+  181.73 0.2879 3
+  182.068 13.7898 138
+  182.69 0.1846 2
+  183.071 1.116 11
+  183.702 0.109 1
+  184.035 0.2261 2
+  185.042 0.5381 5
+  207.032 0.8475 8
+  214.045 0.4424 4
+  253.016 0.2076 2
+  281.052 0.4349 4
+  322.229 0.3098 3
+  341.018 0.1577 2
+  382.233 1.9101 19
+  383.237 0.5111 5
+  384.233 0.1434 1
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ02444.txt b/MSSJ/MSBNK-MSSJ-MSJ02444.txt
new file mode 100644
index 00000000000..5e2db396c80
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ02444.txt
@@ -0,0 +1,101 @@
+ACCESSION: MSBNK-MSSJ-MSJ02444
+RECORD_TITLE: S-Ethyl 4-phenylbenzothioate; GC-EI-TOF; MS; POSITIVE; 70 V
+DATE: 2023.10.01
+AUTHORS: Eiyu Imai and Takemichi Nakamura, Molecular Structure Characterization Unit, RIKEN, Japan
+LICENSE: CC BY
+COPYRIGHT: Eiyu Imai and Takemichi Nakamura, Molecular Structure Characterization Unit, RIKEN, Japan
+PUBLICATION: Hidenori Ochiai, Yuta Uetake, Takashi Niwa, and Takamitsu Hosoya; Angew. Chem. Int. Ed. 2017, 56, 2482–2486. DOI: 10.1002/anie.201611974.
+COMMENT: Original ID of the mass spectral data is A_201604-1612_uetake-ochiai4MB/HO6217-7_ei.xlsx
+COMMENT: JMS-T100GCV (JEOL, Akishima, Japan) is a reflectron time-of-flight (reTOF) mass spectrometer. Temperature of the ion-source and GC-transfer line were 200 C and 250 C, respectively. Resolving power (FWHM, nominal) was 7000.
+COMMENT: EI voltage was 70 V. Typical accuracy level expected was 5 ppm. The m/z value was adjusted with 242.07654.
+CH$NAME: S-Ethyl 4-phenylbenzothioate
+CH$COMPOUND_CLASS: Non-natural compound
+CH$FORMULA: C15H14OS
+CH$EXACT_MASS: 242.076536
+CH$SMILES: CCSC(=O)C1=CC=C(C=C1)C2=CC=CC=C2
+CH$IUPAC: InChI=1S/C15H14OS/c1-2-17-15(16)14-10-8-13(9-11-14)12-6-4-3-5-7-12/h3-11H,2H2,1H3
+CH$LINK: INCHIKEY BGMDLFOFMYJLHA-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:132558969
+AC$INSTRUMENT: JMS-T100GCV (JEOL, Akishima, Japan) coupled to Agilent 7890A (Santa Clara, CA, USA) gas chromatograph.
+AC$INSTRUMENT_TYPE: GC-EI-TOF
+AC$MASS_SPECTROMETRY: MS_TYPE MS
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION EI
+AC$CHROMATOGRAPHY: CARRIER_GAS He, flow rate 1.5 ml/min
+AC$CHROMATOGRAPHY: COLUMN_NAME HP-5MS 30x0.25 0.25microm 19091S-4 (Agilent, Wilmington, USA) with the length 30.0 m, I.D. 0.25 mm, and thickness 0.25 micrometer.
+AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE Initial oven temperature at 50 C for 4 min and ramped at the rate of 30 C/min to 300 C and held at the final temperature for 1.67 min.
+AC$CHROMATOGRAPHY: INJECTION_TEMPERATURE 250 C
+AC$CHROMATOGRAPHY: RETENTION_TIME 11.61 min
+PK$SPLASH: splash10-0f89-1900000000-4bba388655dc74f23961
+PK$NUM_PEAK: 69
+PK$PEAK: m/z int. rel.int.
+  26.015 0.4497 4
+  27.023 4.1667 42
+  28.006 1.0293 10
+  28.031 0.4812 5
+  29.039 2.4467 24
+  31.989 0.413 4
+  34.996 2.1404 21
+  39.023 0.683 7
+  44.98 1.0632 11
+  45.988 0.7141 7
+  50.015 0.9903 10
+  51.023 2.2547 23
+  52.03 0.3851 4
+  57.988 0.4038 4
+  58.996 0.7535 8
+  60.003 0.3145 3
+  61.012 0.9914 10
+  62.016 0.4492 4
+  63.023 1.5388 15
+  74.015 1.1367 11
+  75.023 1.9092 19
+  75.527 0.4032 4
+  76.031 3.2031 32
+  76.533 0.5071 5
+  77.039 2.7738 28
+  78.045 0.3275 3
+  86.015 0.284 3
+  87.023 0.6679 7
+  88.03 0.2664 3
+  89.039 0.4696 5
+  90.532 0.4489 4
+  98.015 0.3717 4
+  99.023 0.4372 4
+  100.03 0.2835 3
+  101.039 0.9689 10
+  102.047 1.9236 19
+  103.052 0.4053 4
+  107.04 0.3401 3
+  113.039 0.3873 4
+  115.055 0.9339 9
+  125.039 0.4976 5
+  126.047 3.339 33
+  127.054 4.3683 44
+  128.059 0.5264 5
+  139.055 0.3656 4
+  141.07 0.2995 3
+  150.047 3.1438 31
+  151.054 11.524 115
+  151.187 0.2963 3
+  152.062 43.0514 430
+  152.604 0.1591 2
+  152.671 0.1522 2
+  153.069 20.4369 204
+  154.073 2.4187 24
+  155.078 0.1817 2
+  180.057 0.3276 3
+  181.065 100 999
+  181.732 0.2806 3
+  182.068 14.1852 142
+  182.682 0.198 2
+  183.072 1.1859 12
+  183.69 0.1156 1
+  184.035 0.9931 10
+  185.043 1.827 18
+  186.046 0.2824 3
+  207.031 0.2351 2
+  242.077 5.7374 57
+  243.08 1.0238 10
+  244.075 0.327 3
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ02445.txt b/MSSJ/MSBNK-MSSJ-MSJ02445.txt
new file mode 100644
index 00000000000..2e4cf3082b8
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ02445.txt
@@ -0,0 +1,94 @@
+ACCESSION: MSBNK-MSSJ-MSJ02445
+RECORD_TITLE: S-Ethyl 4-(benzyloxy)benzothioate; GC-EI-TOF; MS; POSITIVE; 70 V
+DATE: 2023.10.01
+AUTHORS: Eiyu Imai and Takemichi Nakamura, Molecular Structure Characterization Unit, RIKEN, Japan
+LICENSE: CC BY
+COPYRIGHT: Eiyu Imai and Takemichi Nakamura, Molecular Structure Characterization Unit, RIKEN, Japan
+PUBLICATION: Hidenori Ochiai, Yuta Uetake, Takashi Niwa, and Takamitsu Hosoya; Angew. Chem. Int. Ed. 2017, 56, 2482–2486. DOI: 10.1002/anie.201611974.
+COMMENT: Original ID of the mass spectral data is A_201604-1612_uetake-ochiai4MB/MS001-HO5924-4_ei.xlsx
+COMMENT: JMS-T100GCV (JEOL, Akishima, Japan) is a reflectron time-of-flight (reTOF) mass spectrometer. Temperature of the ion-source and GC-transfer line were 250 C and 250 C, respectively. Resolving power (FWHM, nominal) was 7000.
+COMMENT: EI voltage was 70 V. Typical accuracy level expected was 5 ppm. The m/z value was adjusted with 272.08710.
+CH$NAME: S-Ethyl 4-(benzyloxy)benzothioate
+CH$COMPOUND_CLASS: Non-natural compound
+CH$FORMULA: C16H16O2S
+CH$EXACT_MASS: 272.087101
+CH$SMILES: O=C(SCC)c1ccc(OCc2ccccc2)cc1
+CH$IUPAC: InChI=1S/C16H16O2S/c1-2-19-16(17)14-8-10-15(11-9-14)18-12-13-6-4-3-5-7-13/h3-11H,2,12H2,1H3
+CH$LINK: INCHIKEY ABWQNLKQDPGUCS-UHFFFAOYSA-N
+AC$INSTRUMENT: JMS-T100GCV (JEOL, Akishima, Japan) coupled to Agilent 7890A (Santa Clara, CA, USA) gas chromatograph.
+AC$INSTRUMENT_TYPE: GC-EI-TOF
+AC$MASS_SPECTROMETRY: MS_TYPE MS
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION EI
+AC$CHROMATOGRAPHY: CARRIER_GAS He, flow rate 1.5 ml/min
+AC$CHROMATOGRAPHY: COLUMN_NAME ZB-1MS 7HM-G011-11 sn:313446 (Agilent, Wilmington, USA) with the length 30.0 m, I.D. 0.32 mm, and thickness 0.25 micrometer.
+AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE Initial oven temperature at 70 C for 4 min and ramped at the rate of 30 C/min to 325 C and held at the final temperature for 1.5 min.
+AC$CHROMATOGRAPHY: INJECTION_TEMPERATURE 250 C
+AC$CHROMATOGRAPHY: RETENTION_TIME 11.38 min
+PK$SPLASH: splash10-0006-9030000000-5dc3efe26b9e2da1b397
+PK$NUM_PEAK: 63
+PK$PEAK: m/z int. rel.int.
+  27.023 1.3253 13
+  28.006 0.8431 8
+  29.039 1.452 15
+  31.99 0.4391 4
+  34.995 0.6025 6
+  38.015 0.449 4
+  39.023 2.0205 20
+  41.039 1.2552 13
+  43.054 0.8633 9
+  44.98 0.4521 5
+  50.015 0.7073 7
+  51.023 0.9928 10
+  52.031 0.2474 2
+  53.039 0.2631 3
+  55.018 0.4461 4
+  55.055 0.656 7
+  57.07 0.8543 9
+  61.011 0.4591 5
+  62.015 0.3154 3
+  63.023 2.5595 26
+  64.031 2.1628 22
+  65.039 9.4384 94
+  66.042 0.598 6
+  67.054 0.3237 3
+  69.07 0.5426 5
+  71.085 0.3874 4
+  73.047 0.2238 2
+  75.023 0.3144 3
+  76.031 1.1238 11
+  77.038 0.6763 7
+  81.07 0.3007 3
+  83.085 0.3637 4
+  89.039 1.4313 14
+  90.046 0.6741 7
+  91.054 100 999
+  91.525 0.2885 3
+  91.846 0.1858 2
+  92.026 2.1604 22
+  92.057 7.876 79
+  93.032 0.4446 4
+  93.062 0.3234 3
+  95.085 0.267 3
+  97.011 0.5302 5
+  98.072 0.2344 2
+  104.025 0.3768 4
+  105.033 0.3075 3
+  120.021 0.9339 9
+  121.028 0.7688 8
+  125.006 0.6609 7
+  152.061 0.4705 5
+  153.037 0.7713 8
+  181.065 0.3592 4
+  182.072 0.235 2
+  183.078 0.2709 3
+  207.031 0.328 3
+  211.075 47.5001 475
+  211.357 0.1317 1
+  211.717 0.1431 1
+  211.793 0.1479 1
+  212.078 7.5129 75
+  213.081 0.7388 7
+  272.087 1.2602 13
+  273.092 0.2252 2
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ02446.txt b/MSSJ/MSBNK-MSSJ-MSJ02446.txt
new file mode 100644
index 00000000000..b93870a11aa
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ02446.txt
@@ -0,0 +1,101 @@
+ACCESSION: MSBNK-MSSJ-MSJ02446
+RECORD_TITLE: S-Ethyl 4-(acetylamino)benzothioate; GC-EI-TOF; MS; POSITIVE; 70 V
+DATE: 2023.10.01
+AUTHORS: Eiyu Imai and Takemichi Nakamura, Molecular Structure Characterization Unit, RIKEN, Japan
+LICENSE: CC BY
+COPYRIGHT: Eiyu Imai and Takemichi Nakamura, Molecular Structure Characterization Unit, RIKEN, Japan
+PUBLICATION: Hidenori Ochiai, Yuta Uetake, Takashi Niwa, and Takamitsu Hosoya; Angew. Chem. Int. Ed. 2017, 56, 2482–2486. DOI: 10.1002/anie.201611974.
+COMMENT: Original ID of the mass spectral data is A_201604-1612_uetake-ochiai4MB/MS002-HO5X07-6_ei.xlsx
+COMMENT: JMS-T100GCV (JEOL, Akishima, Japan) is a reflectron time-of-flight (reTOF) mass spectrometer. Temperature of the ion-source and GC-transfer line were 250 C and 250 C, respectively. Resolving power (FWHM, nominal) was 7000.
+COMMENT: EI voltage was 70 V. Typical accuracy level expected was 5 ppm. The m/z value was adjusted with 223.06670.
+CH$NAME: S-Ethyl 4-(acetylamino)benzothioate
+CH$COMPOUND_CLASS: Non-natural compound
+CH$FORMULA: C11H13NO2S
+CH$EXACT_MASS: 223.066696
+CH$SMILES: CCSC(=O)C1=CC=C(C=C1)NC(=O)C
+CH$IUPAC: InChI=1S/C11H13NO2S/c1-3-15-11(14)9-4-6-10(7-5-9)12-8(2)13/h4-7H,3H2,1-2H3,(H,12,13)
+CH$LINK: INCHIKEY WDFZTABWIBCPSL-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:73953389
+AC$INSTRUMENT: JMS-T100GCV (JEOL, Akishima, Japan) coupled to Agilent 7890A (Santa Clara, CA, USA) gas chromatograph.
+AC$INSTRUMENT_TYPE: GC-EI-TOF
+AC$MASS_SPECTROMETRY: MS_TYPE MS
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION EI
+AC$CHROMATOGRAPHY: CARRIER_GAS He, flow rate 1.5 ml/min
+AC$CHROMATOGRAPHY: COLUMN_NAME ZB-1MS 7HM-G011-11 sn:313446 (Agilent, Wilmington, USA) with the length 30.0 m, I.D. 0.32 mm, and thickness 0.25 micrometer.
+AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE Initial oven temperature at 70 C for 4 min and ramped at the rate of 30 C/min to 325 C and held at the final temperature for 1.5 min.
+AC$CHROMATOGRAPHY: INJECTION_TEMPERATURE 250 C
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.69 min
+PK$SPLASH: splash10-03k9-3900000000-7d39c36f12414de39b34
+PK$NUM_PEAK: 69
+PK$PEAK: m/z int. rel.int.
+  27.023 2.1831 22
+  28.006 0.576 6
+  29.039 2.0309 20
+  31.99 0.3108 3
+  34.995 0.4452 4
+  38.016 0.775 8
+  39.023 2.7851 28
+  40.027 0.1759 2
+  41.027 0.5665 6
+  42.011 0.3376 3
+  42.034 0.4894 5
+  43.018 14.9817 150
+  43.055 0.4174 4
+  44.022 0.3487 3
+  44.98 0.7168 7
+  50.015 0.6624 7
+  51.023 0.6505 6
+  52.019 0.802 8
+  53.039 0.2771 3
+  57.07 0.2875 3
+  58.995 0.4035 4
+  61.01 0.3757 4
+  62.016 0.5972 6
+  63.023 3.8033 38
+  64.031 4.0412 40
+  65.039 13.2638 133
+  65.101 0.1563 2
+  66.038 1.2383 12
+  75.023 0.4199 4
+  76.031 0.7634 8
+  77.039 0.5703 6
+  78.037 0.2432 2
+  80.05 0.6256 6
+  89.018 0.1408 1
+  90.034 2.5558 26
+  91.042 4.9406 49
+  92.05 16.6208 166
+  93.053 1.2587 13
+  96.003 0.2827 3
+  97.011 0.8667 9
+  104.049 0.3579 4
+  105.057 0.2956 3
+  118.029 0.6614 7
+  119.037 2.3314 23
+  120.044 66.8165 667
+  120.259 0.15 1
+  120.526 0.1697 2
+  120.586 0.1911 2
+  121.037 7.1818 72
+  122.038 0.5566 6
+  123.015 0.2579 3
+  124.022 2.9402 29
+  125.027 0.2699 3
+  133.052 0.3867 4
+  134.06 0.7928 8
+  136.022 0.2593 3
+  146.024 1.8266 18
+  152.053 1.0797 11
+  153.054 0.1586 2
+  160.04 0.3457 3
+  162.055 100 999
+  162.686 0.2841 3
+  163.058 10.3324 103
+  163.593 0.175 2
+  164.06 0.9884 10
+  165.061 0.1445 1
+  223.067 4.5459 45
+  224.07 0.5945 6
+  225.064 0.2553 3
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ02447.txt b/MSSJ/MSBNK-MSSJ-MSJ02447.txt
new file mode 100644
index 00000000000..1b03a328a97
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ02447.txt
@@ -0,0 +1,106 @@
+ACCESSION: MSBNK-MSSJ-MSJ02447
+RECORD_TITLE: S-Ethyl 4-(dimethylamino)benzothioate; GC-EI-TOF; MS; POSITIVE; 70 V
+DATE: 2023.10.01
+AUTHORS: Eiyu Imai and Takemichi Nakamura, Molecular Structure Characterization Unit, RIKEN, Japan
+LICENSE: CC BY
+COPYRIGHT: Eiyu Imai and Takemichi Nakamura, Molecular Structure Characterization Unit, RIKEN, Japan
+PUBLICATION: Hidenori Ochiai, Yuta Uetake, Takashi Niwa, and Takamitsu Hosoya; Angew. Chem. Int. Ed. 2017, 56, 2482–2486. DOI: 10.1002/anie.201611974.
+COMMENT: Original ID of the mass spectral data is A_201604-1612_uetake-ochiai4MB/MS003-HO5928-4_ei.xlsx
+COMMENT: JMS-T100GCV (JEOL, Akishima, Japan) is a reflectron time-of-flight (reTOF) mass spectrometer. Temperature of the ion-source and GC-transfer line were 250 C and 250 C, respectively. Resolving power (FWHM, nominal) was 7000.
+COMMENT: EI voltage was 70 V. Typical accuracy level expected was 5 ppm. The m/z value was adjusted with 209.08743.
+CH$NAME: S-Ethyl 4-(dimethylamino)benzothioate
+CH$COMPOUND_CLASS: Non-natural compound
+CH$FORMULA: C11H15NOS
+CH$EXACT_MASS: 209.087431
+CH$SMILES: CCSC(=O)C1=CC=C(C=C1)N(C)C
+CH$IUPAC: InChI=1S/C11H15NOS/c1-4-14-11(13)9-5-7-10(8-6-9)12(2)3/h5-8H,4H2,1-3H3
+CH$LINK: INCHIKEY LLGUXSSKPINUJD-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:14529047
+AC$INSTRUMENT: JMS-T100GCV (JEOL, Akishima, Japan) coupled to Agilent 7890A (Santa Clara, CA, USA) gas chromatograph.
+AC$INSTRUMENT_TYPE: GC-EI-TOF
+AC$MASS_SPECTROMETRY: MS_TYPE MS
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION EI
+AC$CHROMATOGRAPHY: CARRIER_GAS He, flow rate 1.5 ml/min
+AC$CHROMATOGRAPHY: COLUMN_NAME ZB-1MS 7HM-G011-11 sn:313446 (Agilent, Wilmington, USA) with the length 30.0 m, I.D. 0.32 mm, and thickness 0.25 micrometer.
+AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE Initial oven temperature at 70 C for 4 min and ramped at the rate of 30 C/min to 325 C and held at the final temperature for 1.5 min.
+AC$CHROMATOGRAPHY: INJECTION_TEMPERATURE 250 C
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.11 min
+PK$SPLASH: splash10-0002-2900000000-eac6dae3ea9aae2902f6
+PK$NUM_PEAK: 74
+PK$PEAK: m/z int. rel.int.
+  27.023 1.7818 18
+  28.006 0.8406 8
+  29.039 1.2384 12
+  31.99 0.4453 4
+  34.996 0.5373 5
+  39.023 0.8734 9
+  41.039 0.3888 4
+  42.034 5.4418 54
+  43.041 0.3752 4
+  44.05 0.5264 5
+  44.98 0.4441 4
+  45.988 0.259 3
+  50.016 1.2454 12
+  51.023 1.6649 17
+  52.03 0.573 6
+  53.039 0.3141 3
+  55.054 0.2105 2
+  58.529 0.2606 3
+  58.995 0.2972 3
+  59.537 0.2671 3
+  63.023 1.5369 15
+  64.027 0.4314 4
+  65.039 0.9722 10
+  66.036 0.3284 3
+  67.054 0.216 2
+  68.05 0.4464 4
+  69.059 0.3965 4
+  73.534 0.8733 9
+  74.015 0.3446 3
+  75.023 0.5751 6
+  76.031 1.9425 19
+  77.039 7.5006 75
+  78.045 2.9002 29
+  79.054 2.6932 27
+  80.052 0.4904 5
+  81.061 0.2228 2
+  89.038 0.2905 3
+  90.035 1.2901 13
+  90.546 0.3315 3
+  91.054 3.1109 31
+  92.056 1.1707 12
+  93.063 0.5038 5
+  94.066 0.2769 3
+  102.035 0.2468 2
+  103.053 0.5559 6
+  104.05 5.404 54
+  105.057 5.9687 60
+  106.061 0.4974 5
+  108.082 0.2691 3
+  109.011 0.2129 2
+  117.058 0.6397 6
+  118.065 2.82 28
+  119.073 3.8104 38
+  120.081 3.7042 37
+  121.084 0.3673 4
+  132.044 0.9255 9
+  136.021 0.5602 6
+  146.06 0.5137 5
+  147.067 0.164 2
+  148.076 100 999
+  148.68 0.2879 3
+  149.079 10.5822 106
+  149.55 0.1737 2
+  149.968 0.1133 1
+  150.081 0.7814 8
+  151.045 0.4262 4
+  152.053 3.3243 33
+  153.056 0.3357 3
+  180.048 0.1901 2
+  208.08 0.284 3
+  209.087 8.5391 85
+  209.199 0.1444 1
+  210.09 1.1591 12
+  211.085 0.4548 5
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ02448.txt b/MSSJ/MSBNK-MSSJ-MSJ02448.txt
new file mode 100644
index 00000000000..282b7cb95cb
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ02448.txt
@@ -0,0 +1,85 @@
+ACCESSION: MSBNK-MSSJ-MSJ02448
+RECORD_TITLE: S-Ethyl 4-aminobenzothioate; GC-EI-TOF; MS; POSITIVE; 70 V
+DATE: 2023.10.01
+AUTHORS: Eiyu Imai and Takemichi Nakamura, Molecular Structure Characterization Unit, RIKEN, Japan
+LICENSE: CC BY
+COPYRIGHT: Eiyu Imai and Takemichi Nakamura, Molecular Structure Characterization Unit, RIKEN, Japan
+PUBLICATION: Hidenori Ochiai, Yuta Uetake, Takashi Niwa, and Takamitsu Hosoya; Angew. Chem. Int. Ed. 2017, 56, 2482–2486. DOI: 10.1002/anie.201611974.
+COMMENT: Original ID of the mass spectral data is A_201604-1612_uetake-ochiai4MB/MS004-HO5X05-3_ei.xlsx
+COMMENT: JMS-T100GCV (JEOL, Akishima, Japan) is a reflectron time-of-flight (reTOF) mass spectrometer. Temperature of the ion-source and GC-transfer line were 250 C and 250 C, respectively. Resolving power (FWHM, nominal) was 7000.
+COMMENT: EI voltage was 70 V. Typical accuracy level expected was 5 ppm. The m/z value was adjusted with 181.05613.
+CH$NAME: S-Ethyl 4-aminobenzothioate
+CH$COMPOUND_CLASS: Non-natural compound
+CH$FORMULA: C9H11NOS
+CH$EXACT_MASS: 181.056131
+CH$SMILES: CCSC(=O)C1=CC=C(C=C1)N
+CH$IUPAC: InChI=1S/C9H11NOS/c1-2-12-9(11)7-3-5-8(10)6-4-7/h3-6H,2,10H2,1H3
+CH$LINK: CAS 102879-36-7
+CH$LINK: INCHIKEY QLNRHFNYAPBGCX-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:480028
+AC$INSTRUMENT: JMS-T100GCV (JEOL, Akishima, Japan) coupled to Agilent 7890A (Santa Clara, CA, USA) gas chromatograph.
+AC$INSTRUMENT_TYPE: GC-EI-TOF
+AC$MASS_SPECTROMETRY: MS_TYPE MS
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION EI
+AC$CHROMATOGRAPHY: CARRIER_GAS He, flow rate 1.5 ml/min
+AC$CHROMATOGRAPHY: COLUMN_NAME ZB-1MS 7HM-G011-11 sn:313446 (Agilent, Wilmington, USA) with the length 30.0 m, I.D. 0.32 mm, and thickness 0.25 micrometer.
+AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE Initial oven temperature at 70 C for 4 min and ramped at the rate of 30 C/min to 325 C and held at the final temperature for 1.5 min.
+AC$CHROMATOGRAPHY: INJECTION_TEMPERATURE 250 C
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.58 min
+PK$SPLASH: splash10-00di-5900000000-b8288ef1245d82271bb9
+PK$NUM_PEAK: 52
+PK$PEAK: m/z int. rel.int.
+  26.016 0.2939 3
+  27.023 2.0019 20
+  28.006 1.1377 11
+  29.039 1.2315 12
+  31.99 0.5745 6
+  34.996 0.4548 5
+  38.016 0.7592 8
+  39.024 4.3569 44
+  40.027 0.2547 3
+  41.027 1.1031 11
+  42.034 0.5353 5
+  44.98 0.6774 7
+  45.988 0.2562 3
+  50.016 0.4158 4
+  51.024 0.4682 5
+  52.019 1.2279 12
+  53.037 0.2814 3
+  54.034 0.4284 4
+  55.055 0.2381 2
+  57.988 0.2699 3
+  58.996 0.3798 4
+  61.011 0.3137 3
+  62.015 0.6032 6
+  63.023 2.4362 24
+  64.031 2.2117 22
+  65.039 16.4916 165
+  65.105 0.1999 2
+  66.038 1.9011 19
+  67.051 0.1688 2
+  75.024 0.2553 3
+  80.05 0.957 10
+  90.034 0.5417 5
+  91.042 2.4225 24
+  92.05 20.0808 201
+  92.182 0.1251 1
+  93.053 1.4992 15
+  97.011 0.4817 5
+  119.037 0.7975 8
+  120.045 100 999
+  120.587 0.2911 3
+  121.048 8.1902 82
+  121.302 0.1167 1
+  121.361 0.1483 1
+  122.05 0.5152 5
+  123.015 0.2246 2
+  124.022 2.3078 23
+  125.025 0.2042 2
+  136.023 0.2004 2
+  152.053 0.4788 5
+  181.056 6.4314 64
+  182.059 0.7322 7
+  183.053 0.3279 3
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ02449.txt b/MSSJ/MSBNK-MSSJ-MSJ02449.txt
new file mode 100644
index 00000000000..7549478d55d
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ02449.txt
@@ -0,0 +1,107 @@
+ACCESSION: MSBNK-MSSJ-MSJ02449
+RECORD_TITLE: S-Ethyl 4-(4'-fluorophenyl)benzothioate; GC-EI-TOF; MS; POSITIVE; 70 V
+DATE: 2023.10.01
+AUTHORS: Eiyu Imai and Takemichi Nakamura, Molecular Structure Characterization Unit, RIKEN, Japan
+LICENSE: CC BY
+COPYRIGHT: Eiyu Imai and Takemichi Nakamura, Molecular Structure Characterization Unit, RIKEN, Japan
+PUBLICATION: Hidenori Ochiai, Yuta Uetake, Takashi Niwa, and Takamitsu Hosoya; Angew. Chem. Int. Ed. 2017, 56, 2482–2486. DOI: 10.1002/anie.201611974.
+COMMENT: Original ID of the mass spectral data is A_201604-1612_uetake-ochiai4MB/MS005-HO5908-8_ei.xlsx
+COMMENT: JMS-T100GCV (JEOL, Akishima, Japan) is a reflectron time-of-flight (reTOF) mass spectrometer. Temperature of the ion-source and GC-transfer line were 250 C and 250 C, respectively. Resolving power (FWHM, nominal) was 7000.
+COMMENT: EI voltage was 70 V. Typical accuracy level expected was 5 ppm. The m/z value was adjusted with 260.06711.
+CH$NAME: S-Ethyl 4-(4'-fluorophenyl)benzothioate
+CH$COMPOUND_CLASS: Non-natural compound
+CH$FORMULA: C15H13FOS
+CH$EXACT_MASS: 260.067114
+CH$SMILES: Fc1ccc(cc1)c1ccc(cc1)C(=O)SCC
+CH$IUPAC: InChI=1S/C15H13FOS/c1-2-18-15(17)13-5-3-11(4-6-13)12-7-9-14(16)10-8-12/h3-10H,2H2,1H3
+CH$LINK: INCHIKEY KJBKJBXJXGQAFZ-UHFFFAOYSA-N
+AC$INSTRUMENT: JMS-T100GCV (JEOL, Akishima, Japan) coupled to Agilent 7890A (Santa Clara, CA, USA) gas chromatograph.
+AC$INSTRUMENT_TYPE: GC-EI-TOF
+AC$MASS_SPECTROMETRY: MS_TYPE MS
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION EI
+AC$CHROMATOGRAPHY: CARRIER_GAS He, flow rate 1.5 ml/min
+AC$CHROMATOGRAPHY: COLUMN_NAME ZB-1MS 7HM-G011-11 sn:313446 (Agilent, Wilmington, USA) with the length 30.0 m, I.D. 0.32 mm, and thickness 0.25 micrometer.
+AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE Initial oven temperature at 70 C for 4 min and ramped at the rate of 30 C/min to 325 C and held at the final temperature for 1.5 min.
+AC$CHROMATOGRAPHY: INJECTION_TEMPERATURE 250 C
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.74 min
+PK$SPLASH: splash10-006t-0910000000-b5ef1987fa03332dc654
+PK$NUM_PEAK: 76
+PK$PEAK: m/z int. rel.int.
+  27.023 1.932 19
+  28.006 0.6041 6
+  28.031 0.2118 2
+  29.039 1.2553 13
+  31.99 0.3288 3
+  34.996 0.8911 9
+  39.024 0.2675 3
+  44.98 0.4696 5
+  50.016 0.5052 5
+  51.023 1.0001 10
+  57.014 0.28 3
+  58.996 0.327 3
+  61.011 0.4219 4
+  62.016 0.2143 2
+  63.023 0.5057 5
+  70.022 0.2845 3
+  74.015 0.7204 7
+  75.023 1.884 19
+  75.527 0.3243 3
+  76.03 0.3944 4
+  81.014 0.2546 3
+  85.026 1.8834 19
+  85.53 0.6071 6
+  87.023 0.2828 3
+  94.022 0.6083 6
+  95.029 0.6477 6
+  98.015 0.2634 3
+  99.023 0.7569 8
+  99.528 0.5703 6
+  100.029 0.3259 3
+  101.039 0.586 6
+  107.03 0.3133 3
+  116.036 0.4313 4
+  120.037 1.7669 18
+  121.042 0.2488 2
+  123.022 0.2471 2
+  125.039 2.306 23
+  126.044 0.3954 4
+  131.029 0.2374 2
+  133.045 0.847 8
+  144.037 1.9191 19
+  145.045 1.7974 18
+  146.05 0.2489 2
+  149.039 0.613 6
+  150.047 2.3272 23
+  151.054 4.4264 44
+  152.06 1.0724 11
+  157.045 0.2662 3
+  159.061 0.3445 3
+  168.037 1.5311 15
+  169.045 5.7101 57
+  169.176 0.18 2
+  170.052 38.9436 389
+  170.182 0.8564 9
+  170.308 0.132 1
+  170.625 0.1327 1
+  170.7 0.1274 1
+  171.059 21.7738 218
+  171.627 0.1207 1
+  171.705 0.1182 1
+  172.064 2.6195 26
+  173.069 0.1895 2
+  198.047 0.2941 3
+  199.055 100 999
+  199.56 0.1934 2
+  199.756 0.2959 3
+  200.059 14.3283 143
+  200.741 0.1932 2
+  201.062 1.1753 12
+  201.274 0.1586 2
+  202.025 0.8282 8
+  203.032 1.5088 15
+  204.034 0.2401 2
+  260.067 4.1308 41
+  261.071 0.724 7
+  262.065 0.2312 2
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ02450.txt b/MSSJ/MSBNK-MSSJ-MSJ02450.txt
new file mode 100644
index 00000000000..7f36a367104
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ02450.txt
@@ -0,0 +1,108 @@
+ACCESSION: MSBNK-MSSJ-MSJ02450
+RECORD_TITLE: S-Ethyl 4-(4'-methoxyphenyl)benzothioate; GC-EI-TOF; MS; POSITIVE; 70 V
+DATE: 2023.10.01
+AUTHORS: Eiyu Imai and Takemichi Nakamura, Molecular Structure Characterization Unit, RIKEN, Japan
+LICENSE: CC BY
+COPYRIGHT: Eiyu Imai and Takemichi Nakamura, Molecular Structure Characterization Unit, RIKEN, Japan
+PUBLICATION: Hidenori Ochiai, Yuta Uetake, Takashi Niwa, and Takamitsu Hosoya; Angew. Chem. Int. Ed. 2017, 56, 2482–2486. DOI: 10.1002/anie.201611974.
+COMMENT: Original ID of the mass spectral data is A_201604-1612_uetake-ochiai4MB/MS006-HO5918-2_ei.xlsx
+COMMENT: JMS-T100GCV (JEOL, Akishima, Japan) is a reflectron time-of-flight (reTOF) mass spectrometer. Temperature of the ion-source and GC-transfer line were 250 C and 250 C, respectively. Resolving power (FWHM, nominal) was 7000.
+COMMENT: EI voltage was 70 V. Typical accuracy level expected was 5 ppm. The m/z value was adjusted with 272.08710.
+CH$NAME: S-Ethyl 4-(4'-methoxyphenyl)benzothioate
+CH$COMPOUND_CLASS: Non-natural compound
+CH$FORMULA: C16H16O2S
+CH$EXACT_MASS: 272.087101
+CH$SMILES: COc1ccc(cc1)c1ccc(cc1)C(=O)SCC
+CH$IUPAC: InChI=1S/C16H16O2S/c1-3-19-16(17)14-6-4-12(5-7-14)13-8-10-15(18-2)11-9-13/h4-11H,3H2,1-2H3
+CH$LINK: INCHIKEY JSAJUCGZVPNSCD-UHFFFAOYSA-N
+AC$INSTRUMENT: JMS-T100GCV (JEOL, Akishima, Japan) coupled to Agilent 7890A (Santa Clara, CA, USA) gas chromatograph.
+AC$INSTRUMENT_TYPE: GC-EI-TOF
+AC$MASS_SPECTROMETRY: MS_TYPE MS
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION EI
+AC$CHROMATOGRAPHY: CARRIER_GAS He, flow rate 1.5 ml/min
+AC$CHROMATOGRAPHY: COLUMN_NAME ZB-1MS 7HM-G011-11 sn:313446 (Agilent, Wilmington, USA) with the length 30.0 m, I.D. 0.32 mm, and thickness 0.25 micrometer.
+AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE Initial oven temperature at 70 C for 4 min and ramped at the rate of 30 C/min to 325 C and held at the final temperature for 1.5 min.
+AC$CHROMATOGRAPHY: INJECTION_TEMPERATURE 250 C
+AC$CHROMATOGRAPHY: RETENTION_TIME 11.63 min
+PK$SPLASH: splash10-03di-1590000000-c8fbde2024ab5142de07
+PK$NUM_PEAK: 77
+PK$PEAK: m/z int. rel.int.
+  27.023 1.6442 16
+  28.006 1.1849 12
+  29.039 1.2268 12
+  31.99 0.6938 7
+  34.996 0.8122 8
+  39.024 0.4725 5
+  41.039 0.6285 6
+  43.055 0.8846 9
+  51.023 0.5545 6
+  55.018 0.6237 6
+  55.055 0.7244 7
+  57.07 0.9315 9
+  61.011 0.4894 5
+  62.016 0.3953 4
+  63.024 1.4696 15
+  64.031 0.3743 4
+  67.055 0.3892 4
+  69.07 0.6275 6
+  69.528 0.3846 4
+  70.031 0.4623 5
+  71.086 0.4382 4
+  74.016 0.3679 4
+  75.023 0.7912 8
+  76.031 1.4405 14
+  77.039 0.5347 5
+  83.085 0.3958 4
+  87.023 0.5694 6
+  88.031 0.6995 7
+  89.039 1.2527 13
+  90.035 0.2864 3
+  102.048 0.4446 4
+  105.034 0.4408 4
+  105.538 2.5598 26
+  106.04 0.4636 5
+  113.039 1.3009 13
+  114.046 1.713 17
+  115.054 0.6488 6
+  122.046 0.8069 8
+  126.047 0.6561 7
+  127.054 0.5838 6
+  128.062 0.5379 5
+  129.066 0.2375 2
+  138.046 0.5245 5
+  139.054 19.8202 198
+  140.061 12.3057 123
+  141.065 1.522 15
+  150.046 0.9441 9
+  151.054 2.2164 22
+  152.062 8.0877 81
+  153.068 2.237 22
+  154.075 0.3928 4
+  167.049 1.0059 10
+  168.057 12.2758 123
+  168.162 0.2085 2
+  169.061 1.6514 16
+  171.027 0.5678 6
+  172.033 0.3583 4
+  180.057 0.6148 6
+  181.064 0.3271 3
+  182.072 1.1213 11
+  183.08 8.1877 82
+  184.084 1.2624 13
+  196.052 0.8719 9
+  200.03 0.2819 3
+  207.032 0.6085 6
+  209.057 0.2296 2
+  211.075 100 999
+  211.793 0.3124 3
+  212.079 15.5242 155
+  212.806 0.2089 2
+  213.081 1.5595 16
+  215.052 1.6191 16
+  216.055 0.2674 3
+  272.087 9.8056 98
+  272.221 0.1959 2
+  273.091 1.7982 18
+  274.086 0.6161 6
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ02451.txt b/MSSJ/MSBNK-MSSJ-MSJ02451.txt
new file mode 100644
index 00000000000..4cb204afac1
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ02451.txt
@@ -0,0 +1,133 @@
+ACCESSION: MSBNK-MSSJ-MSJ02451
+RECORD_TITLE: S-Ethyl 4-(4'-tert-butylphenyl)benzothioate; GC-EI-TOF; MS; POSITIVE; 70 V
+DATE: 2023.10.01
+AUTHORS: Eiyu Imai and Takemichi Nakamura, Molecular Structure Characterization Unit, RIKEN, Japan
+LICENSE: CC BY
+COPYRIGHT: Eiyu Imai and Takemichi Nakamura, Molecular Structure Characterization Unit, RIKEN, Japan
+PUBLICATION: Hidenori Ochiai, Yuta Uetake, Takashi Niwa, and Takamitsu Hosoya; Angew. Chem. Int. Ed. 2017, 56, 2482–2486. DOI: 10.1002/anie.201611974.
+COMMENT: Original ID of the mass spectral data is A_201604-1612_uetake-ochiai4MB/MS007-HO5918-1_ei.xlsx
+COMMENT: JMS-T100GCV (JEOL, Akishima, Japan) is a reflectron time-of-flight (reTOF) mass spectrometer. Temperature of the ion-source and GC-transfer line were 250 C and 250 C, respectively. Resolving power (FWHM, nominal) was 7000.
+COMMENT: EI voltage was 70 V. Typical accuracy level expected was 5 ppm. The m/z value was adjusted with 298.13914.
+CH$NAME: S-Ethyl 4-(4'-tert-butylphenyl)benzothioate
+CH$COMPOUND_CLASS: Non-natural compound
+CH$FORMULA: C19H22OS
+CH$EXACT_MASS: 298.139136
+CH$SMILES: CC(C)(C)c1ccc(cc1)c1ccc(cc1)C(=O)SCC
+CH$IUPAC: InChI=1S/C19H22OS/c1-5-21-18(20)16-8-6-14(7-9-16)15-10-12-17(13-11-15)19(2,3)4/h6-13H,5H2,1-4H3
+CH$LINK: INCHIKEY VHDDIYRXHVAOIO-UHFFFAOYSA-N
+AC$INSTRUMENT: JMS-T100GCV (JEOL, Akishima, Japan) coupled to Agilent 7890A (Santa Clara, CA, USA) gas chromatograph.
+AC$INSTRUMENT_TYPE: GC-EI-TOF
+AC$MASS_SPECTROMETRY: MS_TYPE MS
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION EI
+AC$CHROMATOGRAPHY: CARRIER_GAS He, flow rate 1.5 ml/min
+AC$CHROMATOGRAPHY: COLUMN_NAME ZB-1MS 7HM-G011-11 sn:313446 (Agilent, Wilmington, USA) with the length 30.0 m, I.D. 0.32 mm, and thickness 0.25 micrometer.
+AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE Initial oven temperature at 70 C for 4 min and ramped at the rate of 30 C/min to 325 C and held at the final temperature for 1.5 min.
+AC$CHROMATOGRAPHY: INJECTION_TEMPERATURE 250 C
+AC$CHROMATOGRAPHY: RETENTION_TIME 11.87 min
+PK$SPLASH: splash10-000i-2490000000-6f02d90633d01e012d75
+PK$NUM_PEAK: 102
+PK$PEAK: m/z int. rel.int.
+  27.024 0.9632 10
+  28.006 0.9247 9
+  29.039 2.0837 21
+  31.99 0.484 5
+  34.996 0.378 4
+  39.023 0.6462 6
+  41.039 3.6582 37
+  43.055 0.8263 8
+  55.019 0.4679 5
+  55.055 1.1169 11
+  56.062 0.2108 2
+  57.07 5.2759 53
+  61.011 0.3553 4
+  63.023 0.2126 2
+  67.055 0.3745 4
+  69.07 0.5503 5
+  71.086 0.359 4
+  73.046 0.2108 2
+  75.023 0.2915 3
+  76.031 1.101 11
+  77.039 0.5982 6
+  81.07 0.3349 3
+  82.031 2.2075 22
+  82.535 1.0976 11
+  83.039 1.8676 19
+  83.086 0.3541 4
+  83.541 0.2839 3
+  88.031 0.2041 2
+  89.039 0.6073 6
+  91.055 0.4644 5
+  95.085 0.2818 3
+  97.036 9.1915 92
+  97.102 0.2873 3
+  97.538 1.4283 14
+  102.046 0.3115 3
+  103.041 0.3618 4
+  110.043 0.29 3
+  111.052 2.2545 23
+  111.554 0.4546 5
+  115.054 1.2335 12
+  116.059 0.2384 2
+  117.069 0.417 4
+  126.046 0.4173 4
+  127.054 0.5738 6
+  127.56 0.8891 9
+  128.062 0.7414 7
+  129.068 0.1947 2
+  135.072 0.2968 3
+  139.054 0.7209 7
+  141.071 0.2205 2
+  150.046 0.6198 6
+  151.054 1.9356 19
+  152.062 5.8036 58
+  152.187 0.1157 1
+  153.069 3.8094 38
+  154.076 1.5112 15
+  155.082 0.2977 3
+  163.054 0.3086 3
+  164.062 0.4068 4
+  165.07 5.7803 58
+  165.186 0.1197 1
+  166.077 3.2554 33
+  167.083 0.811 8
+  176.062 1.1498 11
+  177.069 1.0226 10
+  178.077 6.0986 61
+  178.204 0.157 2
+  179.084 3.2239 32
+  180.089 0.5498 5
+  181.065 0.4832 5
+  189.069 0.5669 6
+  190.075 0.3246 3
+  191.085 0.6666 7
+  192.092 0.355 4
+  193.101 0.7128 7
+  194.109 13.1724 132
+  195.112 2.3238 23
+  196.116 0.2037 2
+  198.049 0.3079 3
+  207.032 0.6159 6
+  208.124 0.1796 2
+  209.131 0.3344 3
+  221.095 0.7135 7
+  222.102 0.6233 6
+  226.081 0.6552 7
+  237.127 100 999
+  237.677 0.1949 2
+  237.805 0.287 3
+  238.13 18.9372 189
+  238.949 0.1818 2
+  239.134 2.0343 20
+  239.462 0.1177 1
+  239.546 0.1326 1
+  240.135 0.2112 2
+  241.104 0.3315 3
+  255.085 0.1898 2
+  281.05 0.2399 2
+  283.115 0.9562 10
+  284.118 0.2097 2
+  298.139 4.6742 47
+  299.142 1.0429 10
+  300.141 0.3478 3
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ02452.txt b/MSSJ/MSBNK-MSSJ-MSJ02452.txt
new file mode 100644
index 00000000000..7280ede88a8
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ02452.txt
@@ -0,0 +1,96 @@
+ACCESSION: MSBNK-MSSJ-MSJ02452
+RECORD_TITLE: S-Ethyl (4-methoxycarbonyl)benzothioate; GC-EI-TOF; MS; POSITIVE; 70 V
+DATE: 2023.10.01
+AUTHORS: Eiyu Imai and Takemichi Nakamura, Molecular Structure Characterization Unit, RIKEN, Japan
+LICENSE: CC BY
+COPYRIGHT: Eiyu Imai and Takemichi Nakamura, Molecular Structure Characterization Unit, RIKEN, Japan
+PUBLICATION: Hidenori Ochiai, Yuta Uetake, Takashi Niwa, and Takamitsu Hosoya; Angew. Chem. Int. Ed. 2017, 56, 2482–2486. DOI: 10.1002/anie.201611974.
+COMMENT: Original ID of the mass spectral data is A_201604-1612_uetake-ochiai4MB/MS008-HO5Z18-1_ei.xlsx
+COMMENT: JMS-T100GCV (JEOL, Akishima, Japan) is a reflectron time-of-flight (reTOF) mass spectrometer. Temperature of the ion-source and GC-transfer line were 250 C and 250 C, respectively. Resolving power (FWHM, nominal) was 7000.
+COMMENT: EI voltage was 70 V. Typical accuracy level expected was 5 ppm. The m/z value was adjusted with 224.05072.
+CH$NAME: S-Ethyl (4-methoxycarbonyl)benzothioate
+CH$COMPOUND_CLASS: Non-natural compound
+CH$FORMULA: C11H12O3S
+CH$EXACT_MASS: 224.050716
+CH$SMILES: CCSC(=O)C1=CC=C(C=C1)C(=O)OC
+CH$IUPAC: InChI=1S/C11H12O3S/c1-3-15-11(13)9-6-4-8(5-7-9)10(12)14-2/h4-7H,3H2,1-2H3
+CH$LINK: INCHIKEY HTFMWPWAIRYQIG-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:12007531
+AC$INSTRUMENT: JMS-T100GCV (JEOL, Akishima, Japan) coupled to Agilent 7890A (Santa Clara, CA, USA) gas chromatograph.
+AC$INSTRUMENT_TYPE: GC-EI-TOF
+AC$MASS_SPECTROMETRY: MS_TYPE MS
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION EI
+AC$CHROMATOGRAPHY: CARRIER_GAS He, flow rate 1.5 ml/min
+AC$CHROMATOGRAPHY: COLUMN_NAME ZB-1MS 7HM-G011-11 sn:313446 (Agilent, Wilmington, USA) with the length 30.0 m, I.D. 0.32 mm, and thickness 0.25 micrometer.
+AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE Initial oven temperature at 70 C for 4 min and ramped at the rate of 30 C/min to 325 C and held at the final temperature for 1.5 min.
+AC$CHROMATOGRAPHY: INJECTION_TEMPERATURE 250 C
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.52 min
+PK$SPLASH: splash10-03di-2900000000-45f7deed5c7eb72c183e
+PK$NUM_PEAK: 64
+PK$PEAK: m/z int. rel.int.
+  26.016 0.2385 2
+  27.024 2.0708 21
+  28.006 0.5722 6
+  28.031 0.2508 3
+  29.039 1.5492 15
+  31.99 0.2885 3
+  34.996 0.6812 7
+  39.024 0.6314 6
+  44.98 0.678 7
+  45.988 0.3007 3
+  50.016 4.7967 48
+  51.023 0.9865 10
+  52.014 0.2146 2
+  53.003 0.2788 3
+  57.988 0.3102 3
+  59.013 0.8904 9
+  60.003 0.2376 2
+  61.011 0.738 7
+  62.016 0.1893 2
+  63.024 0.7674 8
+  64.031 0.4982 5
+  65.039 0.6449 6
+  66.011 0.2492 2
+  68.98 0.4185 4
+  74.016 1.535 15
+  75.023 5.1688 52
+  76.031 10.0263 100
+  77.039 4.2955 43
+  78.043 0.3619 4
+  79.054 0.2731 3
+  92.026 1.8126 18
+  103.018 8.98 90
+  104.026 8.3386 83
+  104.108 0.1041 1
+  105.031 0.9731 10
+  107.05 0.5601 6
+  108.003 0.5792 6
+  109.011 0.4043 4
+  119.013 2.9703 30
+  120.021 4.79 48
+  121.023 0.4227 4
+  132.021 0.6495 6
+  134.99 0.1333 1
+  135.045 13.4433 134
+  135.21 0.0863 1
+  135.998 0.7502 7
+  136.048 1.2976 13
+  137.005 0.4381 4
+  139.022 0.2126 2
+  163.039 100 999
+  163.496 0.206 2
+  163.671 0.3003 3
+  164.043 10.4091 104
+  164.582 0.1728 2
+  165.041 2.234 22
+  165.555 0.0946 1
+  166.044 0.2569 3
+  167.02 0.1735 2
+  193.032 3.3471 33
+  194.035 0.4037 4
+  195.029 0.1945 2
+  224.051 2.3176 23
+  225.054 0.3212 3
+  226.051 0.1161 1
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ02453.txt b/MSSJ/MSBNK-MSSJ-MSJ02453.txt
new file mode 100644
index 00000000000..12ce61598b1
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ02453.txt
@@ -0,0 +1,77 @@
+ACCESSION: MSBNK-MSSJ-MSJ02453
+RECORD_TITLE: S-Ethyl 4-cyanobenzothioate; GC-EI-TOF; MS; POSITIVE; 70 V
+DATE: 2023.10.01
+AUTHORS: Eiyu Imai and Takemichi Nakamura, Molecular Structure Characterization Unit, RIKEN, Japan
+LICENSE: CC BY
+COPYRIGHT: Eiyu Imai and Takemichi Nakamura, Molecular Structure Characterization Unit, RIKEN, Japan
+PUBLICATION: Hidenori Ochiai, Yuta Uetake, Takashi Niwa, and Takamitsu Hosoya; Angew. Chem. Int. Ed. 2017, 56, 2482–2486. DOI: 10.1002/anie.201611974.
+COMMENT: Original ID of the mass spectral data is A_201604-1612_uetake-ochiai4MB/MS009-HO5925-2_ei.xlsx
+COMMENT: JMS-T100GCV (JEOL, Akishima, Japan) is a reflectron time-of-flight (reTOF) mass spectrometer. Temperature of the ion-source and GC-transfer line were 250 C and 250 C, respectively. Resolving power (FWHM, nominal) was 7000.
+COMMENT: EI voltage was 70 V. Typical accuracy level expected was 5 ppm. The m/z value was adjusted with 191.04048.
+CH$NAME: S-Ethyl 4-cyanobenzothioate
+CH$COMPOUND_CLASS: Non-natural compound
+CH$FORMULA: C10H9NOS
+CH$EXACT_MASS: 191.040481
+CH$SMILES: O=C(SCC)c1ccc(cc1)C#N
+CH$IUPAC: InChI=1S/C10H9NOS/c1-2-13-10(12)9-5-3-8(7-11)4-6-9/h3-6H,2H2,1H3
+CH$LINK: INCHIKEY QJTWZMGDGWFPJB-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:101505470
+AC$INSTRUMENT: JMS-T100GCV (JEOL, Akishima, Japan) coupled to Agilent 7890A (Santa Clara, CA, USA) gas chromatograph.
+AC$INSTRUMENT_TYPE: GC-EI-TOF
+AC$MASS_SPECTROMETRY: MS_TYPE MS
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION EI
+AC$CHROMATOGRAPHY: CARRIER_GAS He, flow rate 1.5 ml/min
+AC$CHROMATOGRAPHY: COLUMN_NAME ZB-1MS 7HM-G011-11 sn:313446 (Agilent, Wilmington, USA) with the length 30.0 m, I.D. 0.32 mm, and thickness 0.25 micrometer.
+AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE Initial oven temperature at 70 C for 4 min and ramped at the rate of 30 C/min to 325 C and held at the final temperature for 1.5 min.
+AC$CHROMATOGRAPHY: INJECTION_TEMPERATURE 250 C
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.91 min
+PK$SPLASH: splash10-001i-2900000000-78684f509f9eaeed108e
+PK$NUM_PEAK: 45
+PK$PEAK: m/z int. rel.int.
+  26.016 0.5017 5
+  27.024 4.3089 43
+  28.007 0.6442 6
+  28.031 0.334 3
+  29.039 1.7639 18
+  31.99 0.3505 4
+  34.996 1.2495 12
+  38.016 0.3897 4
+  39.024 0.5899 6
+  44.98 1.4118 14
+  45.988 0.5212 5
+  50.016 3.3983 34
+  51.024 4.8487 48
+  52.02 0.8006 8
+  57.988 0.654 7
+  58.996 1.0806 11
+  60.003 0.4324 4
+  61.011 1.5419 15
+  62.016 0.3786 4
+  63.023 0.4854 5
+  64.019 0.3494 3
+  68.98 0.4321 4
+  74.016 1.3469 13
+  75.023 7.0502 70
+  76.02 4.8903 49
+  77.024 0.3086 3
+  90.035 0.38 4
+  99.011 0.4642 5
+  100.019 0.3884 4
+  101.027 0.6688 7
+  102.034 34.1194 341
+  103.038 3.2044 32
+  104.04 0.1879 2
+  130.029 100 999
+  130.593 0.2837 3
+  131.032 9.7035 97
+  131.412 0.1443 1
+  132.035 0.5942 6
+  134.007 0.6442 6
+  146.007 0.304 3
+  163.009 0.2206 2
+  191.04 7.8736 79
+  191.143 0.1168 1
+  192.044 0.9631 10
+  193.038 0.4044 4
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ02454.txt b/MSSJ/MSBNK-MSSJ-MSJ02454.txt
new file mode 100644
index 00000000000..052d06f6c58
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ02454.txt
@@ -0,0 +1,93 @@
+ACCESSION: MSBNK-MSSJ-MSJ02454
+RECORD_TITLE: S-Ethyl 3,5-bis(trifluoromethyl)benzothioate; GC-EI-TOF; MS; POSITIVE; 70 V
+DATE: 2023.10.01
+AUTHORS: Eiyu Imai and Takemichi Nakamura, Molecular Structure Characterization Unit, RIKEN, Japan
+LICENSE: CC BY
+COPYRIGHT: Eiyu Imai and Takemichi Nakamura, Molecular Structure Characterization Unit, RIKEN, Japan
+PUBLICATION: Hidenori Ochiai, Yuta Uetake, Takashi Niwa, and Takamitsu Hosoya; Angew. Chem. Int. Ed. 2017, 56, 2482–2486. DOI: 10.1002/anie.201611974.
+COMMENT: Original ID of the mass spectral data is A_201604-1612_uetake-ochiai4MB/MS010-HO5909-5_ei.xlsx
+COMMENT: JMS-T100GCV (JEOL, Akishima, Japan) is a reflectron time-of-flight (reTOF) mass spectrometer. Temperature of the ion-source and GC-transfer line were 250 C and 250 C, respectively. Resolving power (FWHM, nominal) was 7000.
+COMMENT: EI voltage was 70 V. Typical accuracy level expected was 5 ppm. The m/z value was adjusted with 302.02001.
+CH$NAME: S-Ethyl 3,5-bis(trifluoromethyl)benzothioate
+CH$COMPOUND_CLASS: Non-natural compound
+CH$FORMULA: C11H8F6OS
+CH$EXACT_MASS: 302.020004
+CH$SMILES: CCSC(=O)C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F
+CH$IUPAC: InChI=1S/C11H8F6OS/c1-2-19-9(18)6-3-7(10(12,13)14)5-8(4-6)11(15,16)17/h3-5H,2H2,1H3
+CH$LINK: INCHIKEY IOGBFGROAFHWCA-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:102528808
+AC$INSTRUMENT: JMS-T100GCV (JEOL, Akishima, Japan) coupled to Agilent 7890A (Santa Clara, CA, USA) gas chromatograph.
+AC$INSTRUMENT_TYPE: GC-EI-TOF
+AC$MASS_SPECTROMETRY: MS_TYPE MS
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION EI
+AC$CHROMATOGRAPHY: CARRIER_GAS He, flow rate 1.5 ml/min
+AC$CHROMATOGRAPHY: COLUMN_NAME ZB-1MS 7HM-G011-11 sn:313446 (Agilent, Wilmington, USA) with the length 30.0 m, I.D. 0.32 mm, and thickness 0.25 micrometer.
+AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE Initial oven temperature at 70 C for 4 min and ramped at the rate of 30 C/min to 325 C and held at the final temperature for 1.5 min.
+AC$CHROMATOGRAPHY: INJECTION_TEMPERATURE 250 C
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.10 min
+PK$SPLASH: splash10-0006-1190000000-f94398af973d6c90961b
+PK$NUM_PEAK: 61
+PK$PEAK: m/z int. rel.int.
+  26.016 0.5117 5
+  27.024 4.1393 41
+  28.006 0.8733 9
+  28.031 0.3945 4
+  29.039 2.2363 22
+  31.99 0.5245 5
+  34.996 1.4062 14
+  44.98 1.3314 13
+  45.988 0.5219 5
+  50.016 0.4136 4
+  57.014 0.3031 3
+  57.988 0.6229 6
+  58.996 1.2934 13
+  60.003 0.8671 9
+  61.011 2.8473 28
+  63.022 0.1871 2
+  68.995 1.0833 11
+  74.016 0.6938 7
+  75.005 1.5302 15
+  93.013 0.2537 3
+  94.022 0.6553 7
+  99.004 0.8364 8
+  113.019 0.3358 3
+  123.004 0.3846 4
+  125.02 1.867 19
+  132.019 0.2423 2
+  143.011 3.9335 39
+  144.018 4.9282 49
+  145.023 0.6209 6
+  156.994 0.1648 2
+  162.009 0.9117 9
+  163.017 7.6071 76
+  164.021 0.6811 7
+  174.009 0.1737 2
+  175.991 0.2367 2
+  193.007 1.494 15
+  194.015 4.8188 48
+  195.02 0.6992 7
+  212.005 0.4758 5
+  213.013 36.5982 366
+  213.663 0.121 1
+  214.017 3.6988 37
+  223.018 0.6365 6
+  224.979 0.5984 6
+  239.999 0.22 2
+  241.008 100 999
+  241.779 0.2831 3
+  242.012 10.8999 109
+  243.014 0.8237 8
+  243.412 0.1256 1
+  243.512 0.1153 1
+  244.019 0.1264 1
+  244.985 0.2515 3
+  256.984 0.4244 4
+  273.988 0.595 6
+  283.021 5.9587 60
+  284.024 0.8628 9
+  285.018 0.3328 3
+  302.02 5.9419 59
+  303.024 0.8789 9
+  304.02 0.331 3
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ02455.txt b/MSSJ/MSBNK-MSSJ-MSJ02455.txt
new file mode 100644
index 00000000000..1b010bb0bda
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ02455.txt
@@ -0,0 +1,114 @@
+ACCESSION: MSBNK-MSSJ-MSJ02455
+RECORD_TITLE: S-Ethyl 4-(4'-chlorophenyl)benzothioate; GC-EI-TOF; MS; POSITIVE; 70 V
+DATE: 2023.10.01
+AUTHORS: Eiyu Imai and Takemichi Nakamura, Molecular Structure Characterization Unit, RIKEN, Japan
+LICENSE: CC BY
+COPYRIGHT: Eiyu Imai and Takemichi Nakamura, Molecular Structure Characterization Unit, RIKEN, Japan
+PUBLICATION: Hidenori Ochiai, Yuta Uetake, Takashi Niwa, and Takamitsu Hosoya; Angew. Chem. Int. Ed. 2017, 56, 2482–2486. DOI: 10.1002/anie.201611974.
+COMMENT: Original ID of the mass spectral data is A_201604-1612_uetake-ochiai4MB/MS011-HO5909-1_ei.xlsx
+COMMENT: JMS-T100GCV (JEOL, Akishima, Japan) is a reflectron time-of-flight (reTOF) mass spectrometer. Temperature of the ion-source and GC-transfer line were 250 C and 250 C, respectively. Resolving power (FWHM, nominal) was 7000.
+COMMENT: EI voltage was 70 V. Typical accuracy level expected was 5 ppm. The m/z value was adjusted with 276.03756.
+CH$NAME: S-Ethyl 4-(4'-chlorophenyl)benzothioate
+CH$COMPOUND_CLASS: Non-natural compound
+CH$FORMULA: C15H13ClOS
+CH$EXACT_MASS: 276.037564
+CH$SMILES: Clc1ccc(cc1)c1ccc(cc1)C(=O)SCC
+CH$IUPAC: InChI=1S/C15H13ClOS/c1-2-18-15(17)13-5-3-11(4-6-13)12-7-9-14(16)10-8-12/h3-10H,2H2,1H3
+CH$LINK: INCHIKEY JVADLLSLPIZERJ-UHFFFAOYSA-N
+AC$INSTRUMENT: JMS-T100GCV (JEOL, Akishima, Japan) coupled to Agilent 7890A (Santa Clara, CA, USA) gas chromatograph.
+AC$INSTRUMENT_TYPE: GC-EI-TOF
+AC$MASS_SPECTROMETRY: MS_TYPE MS
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION EI
+AC$CHROMATOGRAPHY: CARRIER_GAS He, flow rate 1.5 ml/min
+AC$CHROMATOGRAPHY: COLUMN_NAME ZB-1MS 7HM-G011-11 sn:313446 (Agilent, Wilmington, USA) with the length 30.0 m, I.D. 0.32 mm, and thickness 0.25 micrometer.
+AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE Initial oven temperature at 70 C for 4 min and ramped at the rate of 30 C/min to 325 C and held at the final temperature for 1.5 min.
+AC$CHROMATOGRAPHY: INJECTION_TEMPERATURE 250 C
+AC$CHROMATOGRAPHY: RETENTION_TIME 11.40 min
+PK$SPLASH: splash10-014i-1690000000-a9c9de095dbb6fdae8a7
+PK$NUM_PEAK: 83
+PK$PEAK: m/z int. rel.int.
+  27.024 2.469 25
+  28.006 0.8573 9
+  28.031 0.2583 3
+  29.039 1.5456 15
+  31.99 0.4579 5
+  34.996 1.2351 12
+  39.024 0.3611 4
+  43.055 0.3809 4
+  44.98 0.5351 5
+  45.988 0.3483 3
+  50.016 0.9336 9
+  51.023 1.4651 15
+  55.055 0.3122 3
+  57.071 0.3203 3
+  58.996 0.4506 5
+  61.011 0.6422 6
+  62.016 0.3718 4
+  63.023 1.1859 12
+  69.071 0.2582 3
+  74.016 1.1159 11
+  75.023 3.1849 32
+  75.527 0.8663 9
+  76.031 4.1036 41
+  76.533 0.3917 4
+  77.039 0.7381 7
+  86.015 0.2599 3
+  87.024 0.5879 6
+  89.04 0.2095 2
+  93.012 0.3006 3
+  98.016 0.4292 4
+  99.023 0.9569 10
+  100.03 0.4519 5
+  101.039 1.3626 14
+  102.046 0.9297 9
+  107.513 0.991 10
+  108.512 0.3487 3
+  111 0.2401 2
+  113.039 0.4661 5
+  114.047 0.3125 3
+  124.022 0.5967 6
+  125.039 1.6895 17
+  126.047 3.5608 36
+  127.051 0.4406 4
+  136.008 0.9794 10
+  138.005 0.3129 3
+  139.054 0.6092 6
+  149.037 0.5938 6
+  150.046 6.7519 67
+  150.177 0.1815 2
+  151.054 12.8525 128
+  151.187 0.3367 3
+  152.062 56.6539 566
+  152.303 0.1293 1
+  152.595 0.1638 2
+  153.066 7.0725 71
+  154.069 0.4858 5
+  160.008 0.4566 5
+  161.015 0.2848 3
+  179.048 0.2119 2
+  180.057 1.1544 12
+  183.027 0.2112 2
+  184.034 0.9104 9
+  185.028 0.1658 2
+  186.023 2.7625 28
+  187.03 3.28 33
+  188.024 1.1103 11
+  189.028 1.0771 11
+  190.032 0.1806 2
+  207.032 0.3776 4
+  215.026 100 999
+  215.55 0.1804 2
+  215.753 0.286 3
+  216.029 13.3489 133
+  216.778 0.18 2
+  217.023 32.6058 326
+  218.026 4.2526 42
+  219.004 1.1537 12
+  220.005 0.1972 2
+  221 0.3985 4
+  276.038 4.7073 47
+  277.04 0.7618 8
+  278.035 1.688 17
+  279.039 0.2566 3
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ02456.txt b/MSSJ/MSBNK-MSSJ-MSJ02456.txt
new file mode 100644
index 00000000000..6bdfa795f25
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ02456.txt
@@ -0,0 +1,85 @@
+ACCESSION: MSBNK-MSSJ-MSJ02456
+RECORD_TITLE: S-Ethyl 2-methylbenzothioate; GC-EI-TOF; MS; POSITIVE; 70 V
+DATE: 2023.10.01
+AUTHORS: Eiyu Imai and Takemichi Nakamura, Molecular Structure Characterization Unit, RIKEN, Japan
+LICENSE: CC BY
+COPYRIGHT: Eiyu Imai and Takemichi Nakamura, Molecular Structure Characterization Unit, RIKEN, Japan
+PUBLICATION: Hidenori Ochiai, Yuta Uetake, Takashi Niwa, and Takamitsu Hosoya; Angew. Chem. Int. Ed. 2017, 56, 2482–2486. DOI: 10.1002/anie.201611974.
+COMMENT: Original ID of the mass spectral data is A_201604-1612_uetake-ochiai4MB/MS012-HOSX22-17_ei.xlsx
+COMMENT: JMS-T100GCV (JEOL, Akishima, Japan) is a reflectron time-of-flight (reTOF) mass spectrometer. Temperature of the ion-source and GC-transfer line were 250 C and 250 C, respectively. Resolving power (FWHM, nominal) was 7000.
+COMMENT: EI voltage was 70 V. Typical accuracy level expected was 5 ppm. The m/z value was adjusted with 180.06089.
+CH$NAME: S-Ethyl 2-methylbenzothioate
+CH$COMPOUND_CLASS: Non-natural compound
+CH$FORMULA: C10H12OS
+CH$EXACT_MASS: 180.060886
+CH$SMILES: CCSC(=O)C1=CC=CC=C1C
+CH$IUPAC: InChI=1S/C10H12OS/c1-3-12-10(11)9-7-5-4-6-8(9)2/h4-7H,3H2,1-2H3
+CH$LINK: INCHIKEY VLFXVYVZLDPPJX-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:23499960
+AC$INSTRUMENT: JMS-T100GCV (JEOL, Akishima, Japan) coupled to Agilent 7890A (Santa Clara, CA, USA) gas chromatograph.
+AC$INSTRUMENT_TYPE: GC-EI-TOF
+AC$MASS_SPECTROMETRY: MS_TYPE MS
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION EI
+AC$CHROMATOGRAPHY: CARRIER_GAS He, flow rate 1.5 ml/min
+AC$CHROMATOGRAPHY: COLUMN_NAME ZB-1MS 7HM-G011-11 sn:313446 (Agilent, Wilmington, USA) with the length 30.0 m, I.D. 0.32 mm, and thickness 0.25 micrometer.
+AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE Initial oven temperature at 70 C for 4 min and ramped at the rate of 30 C/min to 325 C and held at the final temperature for 1.5 min.
+AC$CHROMATOGRAPHY: INJECTION_TEMPERATURE 250 C
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.05 min
+PK$SPLASH: splash10-014i-7900000000-c6ddd612d032db70f4f3
+PK$NUM_PEAK: 53
+PK$PEAK: m/z int. rel.int.
+  26.016 0.2722 3
+  27.024 2.4857 25
+  28.007 0.7502 7
+  28.031 0.2462 2
+  29.039 1.2347 12
+  31.99 0.382 4
+  34.996 0.7608 8
+  38.016 0.4152 4
+  39.024 4.6552 47
+  40.03 0.3611 4
+  41.04 1.3409 13
+  44.98 1.5453 15
+  45.988 0.3131 3
+  50.016 0.7997 8
+  51.024 2.0659 21
+  52.031 0.4761 5
+  53.039 0.2157 2
+  57.988 0.3363 3
+  58.996 0.519 5
+  60.004 0.1512 2
+  61.011 0.7575 8
+  62.016 0.9513 10
+  63.024 4.0342 40
+  64.031 1.3122 13
+  65.04 13.7305 137
+  66.043 0.7952 8
+  68.981 0.2819 3
+  74.016 0.3001 3
+  75.024 0.31 3
+  76.031 0.2028 2
+  77.039 0.9641 10
+  78.047 0.2573 3
+  79.055 0.2982 3
+  89.04 5.1534 51
+  90.047 2.4324 24
+  91.055 41.0807 410
+  91.24 0.1082 1
+  91.484 0.1033 1
+  91.53 0.1178 1
+  92.059 3.1956 32
+  118.042 0.4534 5
+  119.05 100 999
+  119.59 0.2656 3
+  120.053 9.2775 93
+  120.352 0.1309 1
+  120.795 0.0909 1
+  121.012 0.5452 5
+  121.056 0.5926 6
+  123.028 0.1843 2
+  134.02 0.1934 2
+  151.022 1.3007 13
+  180.061 1.2349 12
+  181.065 0.165 2
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ02457.txt b/MSSJ/MSBNK-MSSJ-MSJ02457.txt
new file mode 100644
index 00000000000..716e9aac18c
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ02457.txt
@@ -0,0 +1,104 @@
+ACCESSION: MSBNK-MSSJ-MSJ02457
+RECORD_TITLE: S-Ethyl 2-phenylbenzothioate; GC-EI-TOF; MS; POSITIVE; 70 V
+DATE: 2023.10.01
+AUTHORS: Eiyu Imai and Takemichi Nakamura, Molecular Structure Characterization Unit, RIKEN, Japan
+LICENSE: CC BY
+COPYRIGHT: Eiyu Imai and Takemichi Nakamura, Molecular Structure Characterization Unit, RIKEN, Japan
+PUBLICATION: Hidenori Ochiai, Yuta Uetake, Takashi Niwa, and Takamitsu Hosoya; Angew. Chem. Int. Ed. 2017, 56, 2482–2486. DOI: 10.1002/anie.201611974.
+COMMENT: Original ID of the mass spectral data is A_201604-1612_uetake-ochiai4MB/MS013-HO5924-5_ei.xlsx
+COMMENT: JMS-T100GCV (JEOL, Akishima, Japan) is a reflectron time-of-flight (reTOF) mass spectrometer. Temperature of the ion-source and GC-transfer line were 250 C and 250 C, respectively. Resolving power (FWHM, nominal) was 7000.
+COMMENT: EI voltage was 70 V. Typical accuracy level expected was 5 ppm. The m/z value was adjusted with 242.07654.
+CH$NAME: S-Ethyl 2-phenylbenzothioate
+CH$COMPOUND_CLASS: Non-natural compound
+CH$FORMULA: C15H14OS
+CH$EXACT_MASS: 242.076536
+CH$SMILES: O=C(SCC)c1ccccc1c1ccccc1
+CH$IUPAC: InChI=1S/C15H14OS/c1-2-17-15(16)14-11-7-6-10-13(14)12-8-4-3-5-9-12/h3-11H,2H2,1H3
+CH$LINK: INCHIKEY HTJDIWGWRHMWEM-UHFFFAOYSA-N
+AC$INSTRUMENT: JMS-T100GCV (JEOL, Akishima, Japan) coupled to Agilent 7890A (Santa Clara, CA, USA) gas chromatograph.
+AC$INSTRUMENT_TYPE: GC-EI-TOF
+AC$MASS_SPECTROMETRY: MS_TYPE MS
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION EI
+AC$CHROMATOGRAPHY: CARRIER_GAS He, flow rate 1.5 ml/min
+AC$CHROMATOGRAPHY: COLUMN_NAME ZB-1MS 7HM-G011-11 sn:313446 (Agilent, Wilmington, USA) with the length 30.0 m, I.D. 0.32 mm, and thickness 0.25 micrometer.
+AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE Initial oven temperature at 70 C for 4 min and ramped at the rate of 30 C/min to 325 C and held at the final temperature for 1.5 min.
+AC$CHROMATOGRAPHY: INJECTION_TEMPERATURE 250 C
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.96 min
+PK$SPLASH: splash10-0f89-0900000000-54c5445a5c042886e65b
+PK$NUM_PEAK: 73
+PK$PEAK: m/z int. rel.int.
+  27.024 1.7649 18
+  28.007 1.1167 11
+  28.03 0.1726 2
+  29.039 1.051 10
+  31.99 0.6336 6
+  34.996 0.8543 9
+  39.024 0.6562 7
+  44.98 0.4361 4
+  45.988 0.3022 3
+  50.016 0.5684 6
+  51.024 1.6472 16
+  52.03 0.2992 3
+  57.988 0.1576 2
+  58.996 0.3206 3
+  61.011 0.4321 4
+  62.016 0.3187 3
+  63.024 1.1242 11
+  64.031 0.1509 2
+  74.016 0.7582 8
+  75.023 1.4771 15
+  75.528 0.2259 2
+  76.031 1.9683 20
+  76.534 0.3132 3
+  77.039 2.1911 22
+  78.045 0.3054 3
+  86.015 0.3082 3
+  87.023 0.5282 5
+  88.031 0.2376 2
+  89.038 0.3284 3
+  90.533 0.1662 2
+  98.016 0.2892 3
+  99.023 0.3415 3
+  100.032 0.2333 2
+  101.039 0.862 9
+  102.046 0.8671 9
+  103.053 0.1989 2
+  113.039 0.3665 4
+  115.055 0.445 4
+  125.04 0.4557 5
+  126.047 3.237 32
+  127.054 3.3423 33
+  128.059 0.4213 4
+  139.055 0.5919 6
+  149.039 0.1606 2
+  150.047 3.0257 30
+  151.055 11.0102 110
+  151.188 0.2749 3
+  152.062 40.8168 408
+  152.193 0.8364 8
+  152.503 0.1148 1
+  152.617 0.18 2
+  153.069 23.7441 237
+  153.587 0.1302 1
+  154.073 2.8996 29
+  155.078 0.2325 2
+  165.07 0.2459 2
+  180.057 0.6854 7
+  181.065 100 999
+  181.547 0.2102 2
+  181.731 0.2989 3
+  182.068 14.8132 148
+  182.672 0.1895 2
+  183.071 1.3217 13
+  183.647 0.1056 1
+  183.719 0.1092 1
+  184.035 1.5274 15
+  184.18 0.1291 1
+  185.041 0.7951 8
+  186.041 0.1418 1
+  213.038 0.4897 5
+  242.077 1.924 19
+  243.08 0.3259 3
+  244.076 0.1286 1
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ02458.txt b/MSSJ/MSBNK-MSSJ-MSJ02458.txt
new file mode 100644
index 00000000000..9c94ad4874d
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ02458.txt
@@ -0,0 +1,116 @@
+ACCESSION: MSBNK-MSSJ-MSJ02458
+RECORD_TITLE: S-Ethyl 4-(4'-ethylthiocarbonylphenyl)benzothioate; GC-EI-TOF; MS; POSITIVE; 70 V
+DATE: 2023.10.01
+AUTHORS: Eiyu Imai and Takemichi Nakamura, Molecular Structure Characterization Unit, RIKEN, Japan
+LICENSE: CC BY
+COPYRIGHT: Eiyu Imai and Takemichi Nakamura, Molecular Structure Characterization Unit, RIKEN, Japan
+PUBLICATION: Hidenori Ochiai, Yuta Uetake, Takashi Niwa, and Takamitsu Hosoya; Angew. Chem. Int. Ed. 2017, 56, 2482–2486. DOI: 10.1002/anie.201611974.
+COMMENT: Original ID of the mass spectral data is A_201604-1612_uetake-ochiai4MB/MS019-HO5Z25-5_ei.xlsx
+COMMENT: JMS-T100GCV (JEOL, Akishima, Japan) is a reflectron time-of-flight (reTOF) mass spectrometer. Temperature of the ion-source and GC-transfer line were 250 C and 250 C, respectively. Resolving power (FWHM, nominal) was 7000.
+COMMENT: EI voltage was 70 V. Typical accuracy level expected was 5 ppm. The m/z value was adjusted with 330.07482.
+CH$NAME: S-Ethyl 4-(4'-ethylthiocarbonylphenyl)benzothioate
+CH$COMPOUND_CLASS: Non-natural compound
+CH$FORMULA: C18H18O2S2
+CH$EXACT_MASS: 330.074822
+CH$SMILES: O=C(SCC)c1ccc(cc1)c1ccc(cc1)C(=O)SCC
+CH$IUPAC: InChI=1S/C18H18O2S2/c1-3-21-17(19)15-9-5-13(6-10-15)14-7-11-16(12-8-14)18(20)22-4-2/h5-12H,3-4H2,1-2H3
+CH$LINK: INCHIKEY LTNJWJIZNFLHQB-UHFFFAOYSA-N
+AC$INSTRUMENT: JMS-T100GCV (JEOL, Akishima, Japan) coupled to Agilent 7890A (Santa Clara, CA, USA) gas chromatograph.
+AC$INSTRUMENT_TYPE: GC-EI-TOF
+AC$MASS_SPECTROMETRY: MS_TYPE MS
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION EI
+AC$CHROMATOGRAPHY: CARRIER_GAS He, flow rate 1.5 ml/min
+AC$CHROMATOGRAPHY: COLUMN_NAME ZB-1MS 7HM-G011-11 sn:313446 (Agilent, Wilmington, USA) with the length 30.0 m, I.D. 0.32 mm, and thickness 0.25 micrometer.
+AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE Initial oven temperature at 70 C for 4 min and ramped at the rate of 30 C/min to 325 C and held at the final temperature for 1.5 min.
+AC$CHROMATOGRAPHY: INJECTION_TEMPERATURE 250 C
+AC$CHROMATOGRAPHY: RETENTION_TIME 12.94 min
+PK$SPLASH: splash10-014i-2690000000-acd0e1e954fd052d2d73
+PK$NUM_PEAK: 85
+PK$PEAK: m/z int. rel.int.
+  27.024 1.6876 17
+  28.007 0.7022 7
+  28.031 0.2229 2
+  29.039 1.5036 15
+  31.99 0.409 4
+  34.996 0.6328 6
+  39.024 0.3219 3
+  41.039 0.775 8
+  43.055 0.8068 8
+  44.98 0.3209 3
+  50.016 0.4082 4
+  51.023 0.4437 4
+  55.018 0.504 5
+  55.055 0.9523 10
+  56.062 0.2609 3
+  57.071 0.7097 7
+  58.996 0.2769 3
+  61.011 0.6323 6
+  63.023 0.9588 10
+  67.055 0.6151 6
+  69.07 0.7138 7
+  71.086 0.3253 3
+  73.047 0.4533 5
+  74.016 0.3628 4
+  75.024 1.0135 10
+  76.031 5.8476 58
+  76.533 0.7012 7
+  77.038 0.5453 5
+  78.046 0.2148 2
+  81.07 0.5246 5
+  83.086 0.418 4
+  87.023 0.3352 3
+  90.029 3.6528 36
+  90.53 0.5586 6
+  95.086 0.4214 4
+  97.102 0.2894 3
+  98.073 0.2116 2
+  99.023 0.2831 3
+  100.03 0.2238 2
+  101.039 0.4484 4
+  102.047 1.0469 10
+  104.026 9.0525 90
+  104.112 0.1311 1
+  104.528 1.4115 14
+  113.038 0.2768 3
+  125.038 0.604 6
+  126.047 3.0565 31
+  127.05 0.3992 4
+  133.013 0.2229 2
+  139.055 0.8429 8
+  140.06 0.1592 2
+  149.039 0.2171 2
+  150.046 4.2079 42
+  151.054 11.4356 114
+  151.188 0.3897 4
+  152.062 18.6128 186
+  153.065 2.4365 24
+  154.069 0.1991 2
+  179.048 0.4716 5
+  180.057 33.8022 338
+  181.06 4.9161 49
+  182.063 0.4229 4
+  183.027 0.2969 3
+  184.034 0.7255 7
+  191 0.2319 2
+  207.032 2.0114 20
+  208.048 1.0314 10
+  209.042 0.2439 2
+  212.029 1.3827 14
+  213.033 0.2605 3
+  241.032 1.7777 18
+  242.035 0.3095 3
+  269.062 100 999
+  269.648 0.1534 2
+  269.822 0.2996 3
+  270.066 18.2459 182
+  270.898 0.1198 1
+  271.062 6.116 61
+  272.063 0.8887 9
+  273.054 0.1679 2
+  281.051 0.738 7
+  282.051 0.193 2
+  330.075 2.48 25
+  331.078 0.5278 5
+  332.075 0.2822 3
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ02459.txt b/MSSJ/MSBNK-MSSJ-MSJ02459.txt
new file mode 100644
index 00000000000..4792e983e4a
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ02459.txt
@@ -0,0 +1,99 @@
+ACCESSION: MSBNK-MSSJ-MSJ02459
+RECORD_TITLE: S-Ethyl S-Ethyl 4-methylthiobenzothioate; GC-EI-TOF; MS; POSITIVE; 70 V
+DATE: 2023.10.01
+AUTHORS: Eiyu Imai and Takemichi Nakamura, Molecular Structure Characterization Unit, RIKEN, Japan
+LICENSE: CC BY
+COPYRIGHT: Eiyu Imai and Takemichi Nakamura, Molecular Structure Characterization Unit, RIKEN, Japan
+PUBLICATION: Hidenori Ochiai, Yuta Uetake, Takashi Niwa, and Takamitsu Hosoya; Angew. Chem. Int. Ed. 2017, 56, 2482–2486. DOI: 10.1002/anie.201611974.
+COMMENT: Original ID of the mass spectral data is A_201604-1612_uetake-ochiai4MB/MS021-HO5X02-1_ei.xlsx
+COMMENT: JMS-T100GCV (JEOL, Akishima, Japan) is a reflectron time-of-flight (reTOF) mass spectrometer. Temperature of the ion-source and GC-transfer line were 250 C and 250 C, respectively. Resolving power (FWHM, nominal) was 7000.
+COMMENT: EI voltage was 70 V. Typical accuracy level expected was 5 ppm. The m/z value was adjusted with 212.03296.
+CH$NAME: S-Ethyl 4-methylthiobenzothioate
+CH$COMPOUND_CLASS: Non-natural compound
+CH$FORMULA: C10H12OS2
+CH$EXACT_MASS: 212.032957
+CH$SMILES: CCSC(=O)C1=CC=C(C=C1)SC
+CH$IUPAC: InChI=1S/C10H12OS2/c1-3-13-10(11)8-4-6-9(12-2)7-5-8/h4-7H,3H2,1-2H3
+CH$LINK: INCHIKEY CSBSWKLAYFZSPO-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:154718968
+AC$INSTRUMENT: JMS-T100GCV (JEOL, Akishima, Japan) coupled to Agilent 7890A (Santa Clara, CA, USA) gas chromatograph.
+AC$INSTRUMENT_TYPE: GC-EI-TOF
+AC$MASS_SPECTROMETRY: MS_TYPE MS
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION EI
+AC$CHROMATOGRAPHY: CARRIER_GAS He, flow rate 1.5 ml/min
+AC$CHROMATOGRAPHY: COLUMN_NAME ZB-1MS 7HM-G011-11 sn:313446 (Agilent, Wilmington, USA) with the length 30.0 m, I.D. 0.32 mm, and thickness 0.25 micrometer.
+AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE Initial oven temperature at 70 C for 4 min and ramped at the rate of 30 C/min to 325 C and held at the final temperature for 1.5 min.
+AC$CHROMATOGRAPHY: INJECTION_TEMPERATURE 250 C
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.75 min
+PK$SPLASH: splash10-0udi-3900000000-0bdf69e6aae0bb57302b
+PK$NUM_PEAK: 67
+PK$PEAK: m/z int. rel.int.
+  26.016 0.2785 3
+  27.024 2.2734 23
+  28.007 0.4129 4
+  28.031 0.2548 3
+  29.039 1.528 15
+  34.996 0.6508 7
+  39.024 0.7791 8
+  44.98 9.8949 99
+  45.987 0.6718 7
+  46.976 0.4493 4
+  46.996 0.3417 3
+  50.016 2.3672 24
+  51.024 1.341 13
+  56.98 0.2833 3
+  57.988 1.3274 13
+  58.996 0.5339 5
+  61.011 0.386 4
+  62.016 0.3983 4
+  63.024 2.0502 20
+  64.031 0.3989 4
+  65.039 0.5289 5
+  68.98 4.099 41
+  69.986 0.345 3
+  70.996 0.4563 5
+  72.004 0.4984 5
+  74.016 0.8505 8
+  75.024 1.1509 11
+  76.031 2.1392 21
+  77.039 4.8849 49
+  78.046 0.8303 8
+  79.055 5.1998 52
+  80.059 0.3563 4
+  80.98 0.3747 4
+  81.988 2.4443 24
+  82.993 0.2133 2
+  89.039 0.3902 4
+  91.055 0.8981 9
+  92.021 0.2032 2
+  92.98 0.2736 3
+  94.996 0.3453 3
+  96.004 0.4482 4
+  97.011 1.2228 12
+  104.026 0.6457 6
+  106.996 0.3659 4
+  108.004 9.5275 95
+  108.086 0.1252 1
+  109.008 0.9155 9
+  110 0.4267 4
+  121.011 1.938 19
+  122.018 1.0518 11
+  123.027 7.2152 72
+  124.03 0.6864 7
+  125.024 0.3122 3
+  135.998 1.6893 17
+  137.003 0.2116 2
+  139.975 0.6123 6
+  151.022 100 999
+  151.629 0.2752 3
+  152.025 9.8684 99
+  152.514 0.1601 2
+  153.019 4.7346 47
+  154.021 0.4211 4
+  154.999 1.6318 16
+  169.015 0.2405 2
+  212.033 9.4996 95
+  213.036 1.1915 12
+  214.03 0.883 9
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ02460.txt b/MSSJ/MSBNK-MSSJ-MSJ02460.txt
new file mode 100644
index 00000000000..f1a414b0931
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ02460.txt
@@ -0,0 +1,113 @@
+ACCESSION: MSBNK-MSSJ-MSJ02460
+RECORD_TITLE: S-Ethyl 2-(trifluoromethyl)benzothioate; GC-EI-TOF; MS; POSITIVE; 70 V
+DATE: 2023.10.01
+AUTHORS: Eiyu Imai and Takemichi Nakamura, Molecular Structure Characterization Unit, RIKEN, Japan
+LICENSE: CC BY
+COPYRIGHT: Eiyu Imai and Takemichi Nakamura, Molecular Structure Characterization Unit, RIKEN, Japan
+PUBLICATION: Hidenori Ochiai, Yuta Uetake, Takashi Niwa, and Takamitsu Hosoya; Angew. Chem. Int. Ed. 2017, 56, 2482–2486. DOI: 10.1002/anie.201611974.
+COMMENT: Original ID of the mass spectral data is A_201604-1612_uetake-ochiai4MB/YU6106-3_ei.xlsx
+COMMENT: JMS-T100GCV (JEOL, Akishima, Japan) is a reflectron time-of-flight (reTOF) mass spectrometer. Temperature of the ion-source and GC-transfer line were 200 C and 250 C, respectively. Resolving power (FWHM, nominal) was 7000.
+COMMENT: EI voltage was 70 V. Typical accuracy level expected was 5 ppm. The m/z value was adjusted with 234.03262.
+CH$NAME: S-Ethyl 2-(trifluoromethyl)benzothioate
+CH$COMPOUND_CLASS: Non-natural compound
+CH$FORMULA: C10H9F3OS
+CH$EXACT_MASS: 234.03262
+CH$SMILES: FC(F)(F)c1ccccc1C(=O)SCC
+CH$IUPAC: InChI=1S/C10H9F3OS/c1-2-15-9(14)7-5-3-4-6-8(7)10(11,12)13/h3-6H,2H2,1H3
+CH$LINK: INCHIKEY XHDKGJYKPROSOE-UHFFFAOYSA-N
+AC$INSTRUMENT: JMS-T100GCV (JEOL, Akishima, Japan) coupled to Agilent 7890A (Santa Clara, CA, USA) gas chromatograph.
+AC$INSTRUMENT_TYPE: GC-EI-TOF
+AC$MASS_SPECTROMETRY: MS_TYPE MS
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION EI
+AC$CHROMATOGRAPHY: CARRIER_GAS He, flow rate 1.5 ml/min
+AC$CHROMATOGRAPHY: COLUMN_NAME HP-5MS 30x0.25 0.25um 19091S-4 (Agilent, Wilmington, USA) with the length 30.0 m, I.D. 0.25 mm, and thickness 0.25 micrometer.
+AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE Initial oven temperature at 50 C for 4 min and ramped at the rate of 30 C/min to 300 C and held at the final temperature for 1.67 min.
+AC$CHROMATOGRAPHY: INJECTION_TEMPERATURE 250 C
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.52 min
+PK$SPLASH: splash10-00di-2900000000-e1b36539002c90cd7b5f
+PK$NUM_PEAK: 82
+PK$PEAK: m/z int. rel.int.
+  26.016 0.7868 8
+  27.023 5.2667 53
+  28.006 0.9896 10
+  28.031 0.5733 6
+  29.039 2.2346 22
+  31.989 0.408 4
+  34.996 1.5688 16
+  38.016 0.2173 2
+  39.023 0.5602 6
+  44.98 2.0577 21
+  45.988 0.9539 10
+  50.016 2.6121 26
+  51.023 0.8836 9
+  56.98 0.2778 3
+  57.014 0.7692 8
+  57.988 0.9391 9
+  58.996 1.3966 14
+  60.003 0.4668 5
+  61.011 1.3311 13
+  62.015 0.3823 4
+  63.023 0.3852 4
+  68.006 0.2018 2
+  68.995 1.1337 11
+  74.016 1.7085 17
+  75.023 3.9473 39
+  75.084 0.0657 1
+  76.031 1.5847 16
+  77.037 0.2734 3
+  81.014 0.4632 5
+  81.988 0.1457 1
+  87.006 0.0912 1
+  88.012 0.1384 1
+  92.99 0.2066 2
+  94.022 0.6823 7
+  95.029 5.6631 57
+  95.106 0.0854 1
+  96.034 0.4794 5
+  99.005 1.301 13
+  100.012 0.55 5
+  101.019 0.1732 2
+  106.019 0.1006 1
+  107.029 0.5409 5
+  108.003 0.4493 4
+  114.028 0.4607 5
+  118.003 0.1466 1
+  119.011 0.9561 10
+  120.008 0.1212 1
+  123.006 0.126 1
+  125.02 5.5294 55
+  126.027 2.9116 29
+  127.034 0.3907 4
+  132.019 0.1165 1
+  133.027 0.1865 2
+  139.002 0.5731 6
+  143.011 0.697 7
+  144.018 0.8242 8
+  145.026 40.1718 401
+  145.622 0.1212 1
+  146.03 3.3126 33
+  146.487 0.0691 1
+  147.033 0.1651 2
+  154.023 0.1293 1
+  156.993 0.7014 7
+  158 0.6239 6
+  166.997 1.5384 15
+  168 0.1658 2
+  172.014 0.2044 2
+  173.021 100 999
+  173.491 0.2207 2
+  173.672 0.308 3
+  174.025 10.083 101
+  174.609 0.1837 2
+  175.027 0.7213 7
+  175.605 0.1067 1
+  176.077 0.0851 1
+  176.999 0.4926 5
+  187.002 0.3887 4
+  188.999 0.2339 2
+  215.035 0.625 6
+  234.033 1.8099 18
+  235.036 0.2268 2
+  236.03 0.1023 1
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ02461.txt b/MSSJ/MSBNK-MSSJ-MSJ02461.txt
new file mode 100644
index 00000000000..76ddf4efada
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ02461.txt
@@ -0,0 +1,113 @@
+ACCESSION: MSBNK-MSSJ-MSJ02461
+RECORD_TITLE: S-Ethyl 4-(methoxymethoxy)benzothioate; GC-EI-TOF; MS; POSITIVE; 70 V
+DATE: 2023.10.01
+AUTHORS: Eiyu Imai and Takemichi Nakamura, Molecular Structure Characterization Unit, RIKEN, Japan
+LICENSE: CC BY
+COPYRIGHT: Eiyu Imai and Takemichi Nakamura, Molecular Structure Characterization Unit, RIKEN, Japan
+PUBLICATION: Hidenori Ochiai, Yuta Uetake, Takashi Niwa, and Takamitsu Hosoya; Angew. Chem. Int. Ed. 2017, 56, 2482–2486. DOI: 10.1002/anie.201611974.
+COMMENT: Original ID of the mass spectral data is A_201604-1612_uetake-ochiai4MB/YU6126-4_ei.xlsx
+COMMENT: JMS-T100GCV (JEOL, Akishima, Japan) is a reflectron time-of-flight (reTOF) mass spectrometer. Temperature of the ion-source and GC-transfer line were 250 C and 250 C, respectively. Resolving power (FWHM, nominal) was 7000.
+COMMENT: EI voltage was 70 V. Typical accuracy level expected was 5 ppm. The m/z value was adjusted with 226.06637.
+CH$NAME: S-Ethyl 4-(methoxymethoxy)benzothioate
+CH$COMPOUND_CLASS: Non-natural compound
+CH$FORMULA: C11H14O3S
+CH$EXACT_MASS: 226.066366
+CH$SMILES: CCSC(=O)C1=CC=C(C=C1)OCOC
+CH$IUPAC: InChI=1S/C11H14O3S/c1-3-15-11(12)9-4-6-10(7-5-9)14-8-13-2/h4-7H,3,8H2,1-2H3
+CH$LINK: INCHIKEY HNQJXYSJIDTWQK-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:154719227
+AC$INSTRUMENT: JMS-T100GCV (JEOL, Akishima, Japan) coupled to Agilent 7890A (Santa Clara, CA, USA) gas chromatograph.
+AC$INSTRUMENT_TYPE: GC-EI-TOF
+AC$MASS_SPECTROMETRY: MS_TYPE MS
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION EI
+AC$CHROMATOGRAPHY: CARRIER_GAS He, flow rate 1.5 ml/min
+AC$CHROMATOGRAPHY: COLUMN_NAME ZB-1MS 7HM-G011-11 sn:313446 (Agilent, Wilmington, USA) with the length 30.0 m, I.D. 0.32 mm, and thickness 0.25 micrometer.
+AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE Initial oven temperature at 70 C for 4 min and ramped at the rate of 30 C/min to 325 C and held at the final temperature for 1.5 min.
+AC$CHROMATOGRAPHY: INJECTION_TEMPERATURE 250 C
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.59 min
+PK$SPLASH: splash10-00kb-9800000000-50ed3f977b3ed1d79336
+PK$NUM_PEAK: 81
+PK$PEAK: m/z int. rel.int.
+  26.015 0.4593 5
+  27.023 3.9468 39
+  28.006 1.2743 13
+  28.031 0.4631 5
+  29.003 4.8687 49
+  29.039 4.1918 42
+  30.01 0.2907 3
+  31.99 0.793 8
+  34.995 0.8171 8
+  38.016 1.4917 15
+  39.023 1.7085 17
+  44.026 0.2908 3
+  44.98 1.4229 14
+  45.034 100 999
+  45.087 0.9459 9
+  45.365 0.273 3
+  45.592 0.1704 2
+  45.842 0.1332 1
+  45.988 0.3514 4
+  46.037 2.5128 25
+  46.093 0.1178 1
+  46.995 0.2306 2
+  50.016 3.6539 37
+  51.023 1.1732 12
+  53.003 0.3655 4
+  53.039 0.6685 7
+  57.988 0.4287 4
+  58.995 0.7348 7
+  61.011 0.6204 6
+  62.016 0.8745 9
+  63.024 5.1362 51
+  64.031 5.1859 52
+  65.039 2.5702 26
+  66.011 0.5779 6
+  66.044 0.2244 2
+  67.018 0.3013 3
+  68.98 0.5787 6
+  69.988 0.3051 3
+  74.016 0.9301 9
+  75.024 1.7965 18
+  76.031 6.737 67
+  77.039 4.787 48
+  78.045 0.7491 7
+  79.054 0.5076 5
+  81.988 0.2119 2
+  89.006 0.3674 4
+  91.055 0.3342 3
+  92.026 6.9997 70
+  93.033 1.6257 16
+  94.039 0.2144 2
+  96.003 0.2561 3
+  97.011 1.5461 15
+  103.018 0.7291 7
+  104.026 5.153 51
+  105.033 1.5317 15
+  106.041 0.5305 5
+  107.05 2.3332 23
+  108.003 0.3934 4
+  108.054 0.2251 2
+  109.011 0.2692 3
+  120.021 1.217 12
+  121.029 2.5584 26
+  122.032 0.2468 2
+  125.006 1.5647 16
+  133.029 0.5288 5
+  134.036 0.3161 3
+  135.044 43.5318 435
+  135.558 0.1254 1
+  135.62 0.139 1
+  136.048 4.1327 41
+  137.054 0.7474 7
+  153.038 1.3437 13
+  165.055 81.2441 812
+  165.693 0.2451 2
+  166.058 8.6227 86
+  166.613 0.1571 2
+  167.06 1.0492 10
+  168.064 0.1395 1
+  195.048 0.9108 9
+  226.066 2.6474 26
+  227.07 0.3675 4
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ02462.txt b/MSSJ/MSBNK-MSSJ-MSJ02462.txt
new file mode 100644
index 00000000000..676a8a1b71a
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ02462.txt
@@ -0,0 +1,81 @@
+ACCESSION: MSBNK-MSSJ-MSJ02462
+RECORD_TITLE: S-Ethyl thiophene-2-carbothioate; GC-EI-TOF; MS; POSITIVE; 70 V
+DATE: 2023.10.01
+AUTHORS: Eiyu Imai and Takemichi Nakamura, Molecular Structure Characterization Unit, RIKEN, Japan
+LICENSE: CC BY
+COPYRIGHT: Eiyu Imai and Takemichi Nakamura, Molecular Structure Characterization Unit, RIKEN, Japan
+PUBLICATION: Hidenori Ochiai, Yuta Uetake, Takashi Niwa, and Takamitsu Hosoya; Angew. Chem. Int. Ed. 2017, 56, 2482–2486. DOI: 10.1002/anie.201611974.
+COMMENT: Original ID of the mass spectral data is A_201604-1612_uetake-ochiai4MB/YU6202-3_ei.xlsx
+COMMENT: JMS-T100GCV (JEOL, Akishima, Japan) is a reflectron time-of-flight (reTOF) mass spectrometer. Temperature of the ion-source and GC-transfer line were 250 C and 250 C, respectively. Resolving power (FWHM, nominal) was 7000.
+COMMENT: EI voltage was 70 V. Typical accuracy level expected was 5 ppm. The m/z value was adjusted with 172.00166.
+CH$NAME: S-Ethyl thiophene-2-carbothioate
+CH$COMPOUND_CLASS: Non-natural compound
+CH$FORMULA: C7H8OS2
+CH$EXACT_MASS: 172.001657
+CH$SMILES: CCSC(=O)C1=CC=CS1
+CH$IUPAC: InChI=1S/C7H8OS2/c1-2-9-7(8)6-4-3-5-10-6/h3-5H,2H2,1H3
+CH$LINK: CAS 59020-95-0
+CH$LINK: INCHIKEY PDQHXYFSXUGXLE-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:480033
+AC$INSTRUMENT: JMS-T100GCV (JEOL, Akishima, Japan) coupled to Agilent 7890A (Santa Clara, CA, USA) gas chromatograph.
+AC$INSTRUMENT_TYPE: GC-EI-TOF
+AC$MASS_SPECTROMETRY: MS_TYPE MS
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION EI
+AC$CHROMATOGRAPHY: CARRIER_GAS He, flow rate 1.5 ml/min
+AC$CHROMATOGRAPHY: COLUMN_NAME ZB-1MS 7HM-G011-11 sn:313446 (Agilent, Wilmington, USA) with the length 30.0 m, I.D. 0.32 mm, and thickness 0.25 micrometer.
+AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE Initial oven temperature at 70 C for 4 min and ramped at the rate of 30 C/min to 325 C and held at the final temperature for 1.5 min.
+AC$CHROMATOGRAPHY: INJECTION_TEMPERATURE 250 C
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.86 min
+PK$SPLASH: splash10-03di-5900000000-afb32aee017b245da8a3
+PK$NUM_PEAK: 48
+PK$PEAK: m/z int. rel.int.
+  26.016 1.0222 10
+  27.023 5.2121 52
+  28.006 2.5106 25
+  28.03 0.5864 6
+  29.039 2.8783 29
+  31.99 1.5866 16
+  34.995 1.0683 11
+  37.008 0.6327 6
+  38.016 1.779 18
+  39.023 21.5712 215
+  39.071 0.2351 2
+  40.027 0.7583 8
+  43.99 0.2941 3
+  44.98 5.2604 53
+  45.987 0.7364 7
+  49.008 0.2964 3
+  50.015 0.8632 9
+  51.023 0.4307 4
+  53.003 1.1589 12
+  56.98 5.3141 53
+  57.987 1.95 19
+  58.995 1.189 12
+  60.002 0.3272 3
+  61.011 0.6722 7
+  68.98 1.4641 15
+  69.987 0.2422 2
+  70.995 2.8652 29
+  77.003 0.2428 2
+  80.98 1.7936 18
+  81.988 2.5839 26
+  82.995 7.0935 71
+  83.999 0.5532 6
+  84.992 0.282 3
+  91.054 0.2604 3
+  110.99 100 999
+  111.51 0.302 3
+  111.993 6.7051 67
+  112.293 0.163 2
+  112.987 4.4687 45
+  113.065 0.1345 1
+  113.99 0.3199 3
+  114.968 0.6634 7
+  126.966 0.2836 3
+  143.971 0.3978 4
+  172.002 9.4378 94
+  172.101 0.1646 2
+  173.005 0.9216 9
+  173.998 0.8667 9
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ02463.txt b/MSSJ/MSBNK-MSSJ-MSJ02463.txt
new file mode 100644
index 00000000000..40d1350d531
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ02463.txt
@@ -0,0 +1,89 @@
+ACCESSION: MSBNK-MSSJ-MSJ02463
+RECORD_TITLE: S-Ethyl 4-methoxybenzothioate; GC-EI-TOF; MS; POSITIVE; 70 V
+DATE: 2023.10.01
+AUTHORS: Eiyu Imai and Takemichi Nakamura, Molecular Structure Characterization Unit, RIKEN, Japan
+LICENSE: CC BY
+COPYRIGHT: Eiyu Imai and Takemichi Nakamura, Molecular Structure Characterization Unit, RIKEN, Japan
+PUBLICATION: Hidenori Ochiai, Yuta Uetake, Takashi Niwa, and Takamitsu Hosoya; Angew. Chem. Int. Ed. 2017, 56, 2482–2486. DOI: 10.1002/anie.201611974.
+COMMENT: Original ID of the mass spectral data is A_201604-1612_uetake-ochiai4MB/YU6203-4_ei.xlsx
+COMMENT: JMS-T100GCV (JEOL, Akishima, Japan) is a reflectron time-of-flight (reTOF) mass spectrometer. Temperature of the ion-source and GC-transfer line were 250 C and 250 C, respectively. Resolving power (FWHM, nominal) was 7000.
+COMMENT: EI voltage was 70 V. Typical accuracy level expected was 5 ppm. The m/z value was adjusted with 196.055801.
+CH$NAME: S-Ethyl 4-methoxybenzothioate
+CH$COMPOUND_CLASS: Non-natural compound
+CH$FORMULA: C10H12O2S
+CH$EXACT_MASS: 196.055801
+CH$SMILES: CCSC(=O)C1=CC=C(C=C1)OC
+CH$IUPAC: InChI=1S/C10H12O2S/c1-3-13-10(11)8-4-6-9(12-2)7-5-8/h4-7H,3H2,1-2H3
+CH$LINK: INCHIKEY SXWYEKVBZGARII-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:480029
+AC$INSTRUMENT: JMS-T100GCV (JEOL, Akishima, Japan) coupled to Agilent 7890A (Santa Clara, CA, USA) gas chromatograph.
+AC$INSTRUMENT_TYPE: GC-EI-TOF
+AC$MASS_SPECTROMETRY: MS_TYPE MS
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION EI
+AC$CHROMATOGRAPHY: CARRIER_GAS He, flow rate 1.5 ml/min
+AC$CHROMATOGRAPHY: COLUMN_NAME ZB-1MS 7HM-G011-11 sn:313446 (Agilent, Wilmington, USA) with the length 30.0 m, I.D. 0.32 mm, and thickness 0.25 micrometer.
+AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE Initial oven temperature at 70 C for 4 min and ramped at the rate of 30 C/min to 325 C and held at the final temperature for 1.5 min.
+AC$CHROMATOGRAPHY: INJECTION_TEMPERATURE 250 C
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.05 min
+PK$SPLASH: splash10-000i-5900000000-9c54ccda6121df3dcc53
+PK$NUM_PEAK: 57
+PK$PEAK: m/z int. rel.int.
+  26.016 0.5483 5
+  27.024 3.7948 38
+  28.006 1.7985 18
+  28.031 0.4594 5
+  29.039 2.3069 23
+  31.99 1.0847 11
+  34.996 0.9076 9
+  38.016 1.5854 16
+  39.024 1.0987 11
+  44.98 1.1665 12
+  45.988 0.4435 4
+  50.016 2.5719 26
+  51.023 1.7495 17
+  52.03 0.228 2
+  53.003 0.4038 4
+  53.039 0.6228 6
+  57.988 0.4398 4
+  58.996 0.6363 6
+  61.011 0.5945 6
+  62.016 1.0715 11
+  63.024 6.8107 68
+  64.031 8.5924 86
+  65.037 0.9072 9
+  66.011 0.4896 5
+  68.98 0.4943 5
+  69.988 0.3191 3
+  74.016 0.8244 8
+  75.024 1.0127 10
+  76.031 2.753 28
+  77.039 18.4122 184
+  77.166 0.1157 1
+  78.043 1.5213 15
+  79.055 0.8479 8
+  92.026 14.9488 149
+  93.03 1.0501 10
+  94.995 0.2333 2
+  95.05 0.3406 3
+  96.004 0.6263 6
+  97.011 0.2568 3
+  104.026 0.9091 9
+  105.032 0.2694 3
+  106.042 0.2505 3
+  107.05 7.1718 72
+  108.003 0.3173 3
+  108.053 0.6278 6
+  120.021 0.2321 2
+  123.999 0.4048 4
+  125.005 0.2322 2
+  135.044 100 999
+  135.621 0.2955 3
+  136.048 9.31 93
+  136.459 0.158 2
+  137.05 0.827 8
+  139.022 1.6583 17
+  196.056 3.3425 33
+  197.059 0.4139 4
+  198.054 0.1805 2
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ02464.txt b/MSSJ/MSBNK-MSSJ-MSJ02464.txt
new file mode 100644
index 00000000000..883db2e6a3c
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ02464.txt
@@ -0,0 +1,80 @@
+ACCESSION: MSBNK-MSSJ-MSJ02464
+RECORD_TITLE: S-Ethyl 4-fluorobenzothioate; GC-EI-TOF; MS; POSITIVE; 70 V
+DATE: 2023.10.01
+AUTHORS: Eiyu Imai and Takemichi Nakamura, Molecular Structure Characterization Unit, RIKEN, Japan
+LICENSE: CC BY
+COPYRIGHT: Eiyu Imai and Takemichi Nakamura, Molecular Structure Characterization Unit, RIKEN, Japan
+PUBLICATION: Hidenori Ochiai, Yuta Uetake, Takashi Niwa, and Takamitsu Hosoya; Angew. Chem. Int. Ed. 2017, 56, 2482–2486. DOI: 10.1002/anie.201611974.
+COMMENT: Original ID of the mass spectral data is A_201604-1612_uetake-ochiai4MB/YU6205-4_ei.xlsx
+COMMENT: JMS-T100GCV (JEOL, Akishima, Japan) is a reflectron time-of-flight (reTOF) mass spectrometer. Temperature of the ion-source and GC-transfer line were 250 C and 250 C, respectively. Resolving power (FWHM, nominal) was 7000.
+COMMENT: EI voltage was 70 V. Typical accuracy level expected was 5 ppm. The m/z value was adjusted with 184.03581.
+CH$NAME: S-Ethyl 4-fluorobenzothioate
+CH$COMPOUND_CLASS: Non-natural compound
+CH$FORMULA: C9H9FOS
+CH$EXACT_MASS: 184.035814
+CH$SMILES: CCSC(=O)C1=CC=C(C=C1)F
+CH$IUPAC: InChI=1S/C9H9FOS/c1-2-12-9(11)7-3-5-8(10)6-4-7/h3-6H,2H2,1H3
+CH$LINK: INCHIKEY TXCWKPQVQZRMCL-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:13584203
+AC$INSTRUMENT: JMS-T100GCV (JEOL, Akishima, Japan) coupled to Agilent 7890A (Santa Clara, CA, USA) gas chromatograph.
+AC$INSTRUMENT_TYPE: GC-EI-TOF
+AC$MASS_SPECTROMETRY: MS_TYPE MS
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION EI
+AC$CHROMATOGRAPHY: CARRIER_GAS He, flow rate 1.5 ml/min
+AC$CHROMATOGRAPHY: COLUMN_NAME ZB-1MS 7HM-G011-11 sn:313446 (Agilent, Wilmington, USA) with the length 30.0 m, I.D. 0.32 mm, and thickness 0.25 micrometer.
+AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE Initial oven temperature at 70 C for 4 min and ramped at the rate of 30 C/min to 325 C and held at the final temperature for 1.5 min.
+AC$CHROMATOGRAPHY: INJECTION_TEMPERATURE 250 C
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.62 min
+PK$SPLASH: splash10-00di-7900000000-8ad029ffbb24626a40bc
+PK$NUM_PEAK: 48
+PK$PEAK: m/z int. rel.int.
+  26.015 0.8227 8
+  27.023 5.0901 51
+  28.006 1.7448 17
+  28.03 0.5453 5
+  29.039 2.0734 21
+  31.99 1.0668 11
+  34.996 1.3044 13
+  38.016 0.2423 2
+  39.023 0.5633 6
+  44.98 1.6856 17
+  45.014 0.3205 3
+  45.988 0.5894 6
+  50.016 2.8286 28
+  51.023 1.94 19
+  57.014 0.9381 9
+  57.988 0.7245 7
+  58.996 1.0565 11
+  60.003 0.3469 3
+  61.011 1.1794 12
+  62.016 0.444 4
+  63.024 0.619 6
+  68.006 1.3904 14
+  68.98 0.4684 5
+  69.014 2.9512 29
+  70.021 0.3238 3
+  74.016 2.1317 21
+  75.023 14.9705 150
+  75.093 0.184 2
+  76.028 1.2535 13
+  83.03 1.6217 16
+  92.006 0.2175 2
+  93.014 0.5515 6
+  94.022 2.4907 25
+  95.03 38.3871 383
+  96.033 2.4564 25
+  122.016 0.2673 3
+  123.024 100 999
+  123.422 0.2107 2
+  123.573 0.2905 3
+  124.028 6.8519 68
+  124.359 0.1518 2
+  125.031 0.3644 4
+  125.995 0.2917 3
+  127.002 0.8748 9
+  139.002 0.4379 4
+  184.036 4.8083 48
+  185.039 0.4446 4
+  186.032 0.2459 2
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ02465.txt b/MSSJ/MSBNK-MSSJ-MSJ02465.txt
new file mode 100644
index 00000000000..d28d2226b13
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ02465.txt
@@ -0,0 +1,100 @@
+ACCESSION: MSBNK-MSSJ-MSJ02465
+RECORD_TITLE: Methyl 2-(3-(4-fluorobenzoyl)phenyl)propanoate; GC-EI-TOF; MS; POSITIVE; 70 V
+DATE: 2023.10.01
+AUTHORS: Eiyu Imai, Molecular Structure Characterization Unit, RIKEN, Japan
+LICENSE: CC BY
+COPYRIGHT: Eiyu Imai, Molecular Structure Characterization Unit, RIKEN, Japan
+PUBLICATION: Miho Shukuri, Aya Mawatari, Shuhei Takatani, Tsuyoshi Tahara, Michiko Inoue, Wakiko Arakaki,Masahiro Ohno, Hisashi Doi, and Hirotaka Onoe; J Nucl Med 2022; 63:1761–1767. DOI: 10.2967/jnumed.121.263713
+COMMENT: Original ID of the mass spectral data is A_20210217_takatani4MB/MTA-1_ei.xlsx
+COMMENT: JMS-T100GCV (JEOL, Akishima, Japan) is a reflectron time-of-flight (reTOF) mass spectrometer. Temperature of the ion-source and GC-transfer line were 200 C and 250 C, respectively. Resolving power (FWHM, nominal) was 7000.
+COMMENT: EI voltage was 70 V. Typical accuracy level expected was 5 ppm. The m/z value was adjusted with 286.1005.
+CH$NAME: Methyl 2-(3-(4-fluorobenzoyl)phenyl)propanoate
+CH$COMPOUND_CLASS: Non-natural compound
+CH$FORMULA: C17H15FO3
+CH$EXACT_MASS: 286.100523
+CH$SMILES: O=C(c1ccc(F)cc1)c1cccc(c1)C(C)C(=O)OC
+CH$IUPAC: InChI=1S/C17H15FO3/c1-11(17(20)21-2)13-4-3-5-14(10-13)16(19)12-6-8-15(18)9-7-12/h3-11H,1-2H3
+CH$LINK: INCHIKEY OKNOHIJMTAVRJF-UHFFFAOYSA-N
+AC$INSTRUMENT: JMS-T100GCV (JEOL, Akishima, Japan) coupled to Agilent 7890A (Santa Clara, CA, USA) gas chromatograph.
+AC$INSTRUMENT_TYPE: GC-EI-TOF
+AC$MASS_SPECTROMETRY: MS_TYPE MS
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION EI
+AC$CHROMATOGRAPHY: CARRIER_GAS He, flow rate 1 ml/min
+AC$CHROMATOGRAPHY: COLUMN_NAME DB-5MS 122-5532 USA360633H (Agilent, Wilmington, USA) with the length 30.0 m, I.D. 0.25 mm, and thickness 0.25 micrometer.
+AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE Initial oven temperature at 70 C for 4 min and ramped at the rate of 30 C/min to 325 C and held at the final temperature for 7.5 min.
+AC$CHROMATOGRAPHY: INJECTION_TEMPERATURE 250 C
+AC$CHROMATOGRAPHY: RETENTION_TIME 11.33 min
+PK$SPLASH: splash10-00b9-5890000000-61e0fbb48e7239cb72ce
+PK$NUM_PEAK: 69
+PK$PEAK: m/z int. rel.int.
+  27.025 1.0808 11
+  28.007 1.5562 16
+  31.991 0.937 9
+  39.025 1.8379 18
+  43.02 0.7872 8
+  50.017 1.4746 15
+  51.025 3.2178 32
+  52.033 1.0686 11
+  53.04 0.8005 8
+  59.015 7.1373 71
+  63.025 2.0176 20
+  65.041 0.9261 9
+  69.016 0.7597 8
+  75.025 8.3333 83
+  76.032 2.6509 26
+  77.041 10.8398 108
+  78.048 6.84 68
+  79.054 0.871 9
+  89.041 1.2007 12
+  91.057 1.3664 14
+  94.024 1.454 15
+  95.031 52.7082 527
+  96.035 3.2316 32
+  102.049 2.7182 27
+  103.056 17.6109 176
+  104.064 8.2795 83
+  105.034 0.6564 7
+  105.068 0.9357 9
+  113.545 0.6317 6
+  120.057 0.4515 5
+  123.026 96.5008 964
+  124.029 7.0291 70
+  125.034 0.4816 5
+  131.051 3.9564 40
+  132.058 1.5391 15
+  133.043 0.8294 8
+  163.076 0.7558 8
+  170.054 1.5791 16
+  171.061 0.5784 6
+  177.07 0.5324 5
+  178.079 0.6143 6
+  179.086 0.5121 5
+  183.062 3.0909 31
+  184.069 1.285 13
+  191.072 10.8042 108
+  192.076 1.3555 14
+  196.07 1.5284 15
+  197.077 0.8281 8
+  199.057 3.7286 37
+  200.061 0.5347 5
+  207.074 0.3935 4
+  209.079 1.0397 10
+  212.065 7.2603 73
+  213.069 1.3934 14
+  225.072 0.9789 10
+  226.079 3.7975 38
+  227.088 100 999
+  228.091 16.0877 161
+  228.228 0.4757 5
+  228.316 0.4359 4
+  229.094 1.4278 14
+  241.103 0.6767 7
+  242.11 1.0676 11
+  243.082 0.5097 5
+  254.075 2.9003 29
+  255.077 0.6595 7
+  286.101 39.1502 391
+  287.104 6.9474 69
+  288.107 0.8983 9
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ02466.txt b/MSSJ/MSBNK-MSSJ-MSJ02466.txt
new file mode 100644
index 00000000000..c7b0a076f38
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ02466.txt
@@ -0,0 +1,117 @@
+ACCESSION: MSBNK-MSSJ-MSJ02466
+RECORD_TITLE: Methyl 2-(3-(4-nitrobenzoyl)phenyl)propanoate; GC-EI-TOF; MS; POSITIVE; 70 V
+DATE: 2023.10.01
+AUTHORS: Eiyu Imai, Molecular Structure Characterization Unit, RIKEN, Japan
+LICENSE: CC BY
+COPYRIGHT: Eiyu Imai, Molecular Structure Characterization Unit, RIKEN, Japan
+PUBLICATION: Miho Shukuri, Aya Mawatari, Shuhei Takatani, Tsuyoshi Tahara, Michiko Inoue, Wakiko Arakaki,Masahiro Ohno, Hisashi Doi, and Hirotaka Onoe; J Nucl Med 2022; 63:1761–1767. DOI: 10.2967/jnumed.121.263713
+COMMENT: Original ID of the mass spectral data is A_20210217_takatani4MB/MTA-3_ei.xlsx
+COMMENT: JMS-T100GCV (JEOL, Akishima, Japan) is a reflectron time-of-flight (reTOF) mass spectrometer. Temperature of the ion-source and GC-transfer line were 200 C and 250 C, respectively. Resolving power (FWHM, nominal) was 7000.
+COMMENT: EI voltage was 70 V. Typical accuracy level expected was 5 ppm. The m/z value was adjusted with 313.0950.
+CH$NAME: Methyl 2-(3-(4-nitrobenzoyl)phenyl)propanoate
+CH$COMPOUND_CLASS: Non-natural compound
+CH$FORMULA: C17H15NO5
+CH$EXACT_MASS: 313.09502
+CH$SMILES: O=[N+]([O-])c1ccc(cc1)C(=O)c1cccc(c1)C(C)C(=O)OC
+CH$IUPAC: InChI=1S/C17H15NO5/c1-11(17(20)23-2)13-4-3-5-14(10-13)16(19)12-6-8-15(9-7-12)18(21)22/h3-11H,1-2H3
+CH$LINK: INCHIKEY GIAPGGVYTVQKHU-UHFFFAOYSA-N
+AC$INSTRUMENT: JMS-T100GCV (JEOL, Akishima, Japan) coupled to Agilent 7890A (Santa Clara, CA, USA) gas chromatograph.
+AC$INSTRUMENT_TYPE: GC-EI-TOF
+AC$MASS_SPECTROMETRY: MS_TYPE MS
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION EI
+AC$CHROMATOGRAPHY: CARRIER_GAS He, flow rate 1 ml/min
+AC$CHROMATOGRAPHY: COLUMN_NAME DB-5MS 122-5532 USA360633H (Agilent, Wilmington, USA) with the length 30.0 m, I.D. 0.25 mm, and thickness 0.25 micrometer.
+AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE Initial oven temperature at 70 C for 4 min and ramped at the rate of 30 C/min to 325 C and held at the final temperature for 7.5 min.
+AC$CHROMATOGRAPHY: INJECTION_TEMPERATURE 250 C
+AC$CHROMATOGRAPHY: RETENTION_TIME 12.59 min
+PK$SPLASH: splash10-0udi-5961000000-fbc6989fa0987949dc37
+PK$NUM_PEAK: 86
+PK$PEAK: m/z int. rel.int.
+  27.025 1.6236 16
+  28.008 1.9836 20
+  30 2.0633 21
+  39.025 1.864 19
+  43.021 0.9651 10
+  50.018 3.6152 36
+  51.025 2.9291 29
+  52.032 1.1031 11
+  53.041 0.8063 8
+  59.015 13.9138 139
+  59.055 0.4304 4
+  63.026 2.498 25
+  64.033 1.8156 18
+  65.041 1.4802 15
+  74.018 0.8296 8
+  75.026 4.9752 50
+  76.033 24.0885 241
+  76.097 0.4985 5
+  77.041 14.4227 144
+  78.049 9.0938 91
+  79.054 1.2367 12
+  89.041 2.3932 24
+  90.049 0.5316 5
+  91.057 2.3827 24
+  92.028 9.1735 92
+  93.033 0.848 8
+  101.042 0.7609 8
+  102.049 3.1394 31
+  103.057 26.5841 266
+  104.028 34.0413 340
+  104.064 14.0671 141
+  105.033 3.7059 37
+  105.069 1.6843 17
+  115.058 1.0522 11
+  119.088 2.8677 29
+  120.023 6.3713 64
+  121.03 1.9523 20
+  122.027 0.8149 8
+  131.051 5.7919 58
+  132.058 2.7145 27
+  133.031 1.0283 10
+  134.025 0.6107 6
+  135.083 0.4488 4
+  139.057 1.1288 11
+  147.062 0.3863 4
+  150.021 39.1765 391
+  150.187 0.4169 4
+  151.024 3.0609 31
+  152.065 3.8611 39
+  153.071 1.5243 15
+  163.071 1.2269 12
+  164.066 0.672 7
+  165.072 3.7035 37
+  166.077 0.7848 8
+  176.065 1.2398 12
+  177.072 1.0037 10
+  178.08 4.5429 45
+  179.087 2.8493 28
+  180.072 1.0074 10
+  181.066 1.1233 11
+  191.072 11.2545 112
+  192.075 1.3974 14
+  193.067 2.3809 24
+  206.076 0.5408 5
+  207.035 1.1736 12
+  207.083 2.471 25
+  208.089 5.2591 53
+  209.091 0.9798 10
+  224.095 0.5966 6
+  237.081 0.7879 8
+  238.088 2.2288 22
+  239.06 1.0706 11
+  253.075 0.9676 10
+  254.082 100 999
+  255.086 16.2101 162
+  256.089 1.845 18
+  269.106 2.449 24
+  270.107 0.5905 6
+  281.068 4.5288 45
+  282.071 1.0724 11
+  283.126 0.9964 10
+  296.092 1.4612 15
+  297.1 0.9136 9
+  313.095 30.157 301
+  314.098 5.5926 56
+  315.102 0.783 8
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ02467.txt b/MSSJ/MSBNK-MSSJ-MSJ02467.txt
new file mode 100644
index 00000000000..f2e4fd9bc24
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ02467.txt
@@ -0,0 +1,184 @@
+ACCESSION: MSBNK-MSSJ-MSJ02467
+RECORD_TITLE: Methyl 2-(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)propanoate; GC-EI-TOF; MS; POSITIVE; 70 V
+DATE: 2023.10.01
+AUTHORS: Eiyu Imai, Molecular Structure Characterization Unit, RIKEN, Japan
+LICENSE: CC BY
+COPYRIGHT: Eiyu Imai, Molecular Structure Characterization Unit, RIKEN, Japan
+PUBLICATION: Miho Shukuri, Aya Mawatari, Shuhei Takatani, Tsuyoshi Tahara, Michiko Inoue, Wakiko Arakaki,Masahiro Ohno, Hisashi Doi, and Hirotaka Onoe; J Nucl Med 2022; 63:1761–1767. DOI: 10.2967/jnumed.121.263713
+COMMENT: Original ID of the mass spectral data is A_20210217_takatani4MB/MTA-4_ei.xlsx
+COMMENT: JMS-T100GCV (JEOL, Akishima, Japan) is a reflectron time-of-flight (reTOF) mass spectrometer. Temperature of the ion-source and GC-transfer line were 200 C and 250 C, respectively. Resolving power (FWHM, nominal) was 7000.
+COMMENT: EI voltage was 70 V. Typical accuracy level expected was 5 ppm. The m/z value was adjusted with 290.1689.
+CH$NAME: Methyl 2-(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)propanoate
+CH$COMPOUND_CLASS: Non-natural compound
+CH$FORMULA: C16H23BO4
+CH$EXACT_MASS: 290.168941
+CH$SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC=C2)C(C)C(=O)OC
+CH$IUPAC: InChI=1S/C16H23BO4/c1-11(14(18)19-6)12-8-7-9-13(10-12)17-20-15(2,3)16(4,5)21-17/h7-11H,1-6H3
+CH$LINK: INCHIKEY YRIWYAINCHLLHO-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:153440444
+AC$INSTRUMENT: JMS-T100GCV (JEOL, Akishima, Japan) coupled to Agilent 7890A (Santa Clara, CA, USA) gas chromatograph.
+AC$INSTRUMENT_TYPE: GC-EI-TOF
+AC$MASS_SPECTROMETRY: MS_TYPE MS
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION EI
+AC$CHROMATOGRAPHY: CARRIER_GAS He, flow rate 1 ml/min
+AC$CHROMATOGRAPHY: COLUMN_NAME DB-5MS 122-5532 USA360633H (Agilent, Wilmington, USA) with the length 30.0 m, I.D. 0.25 mm, and thickness 0.25 micrometer.
+AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE Initial oven temperature at 70 C for 4 min and ramped at the rate of 30 C/min to 325 C and held at the final temperature for 7.5 min.
+AC$CHROMATOGRAPHY: INJECTION_TEMPERATURE 250 C
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.48 min
+PK$SPLASH: splash10-001i-5790000000-40d76e1266d9b6196b63
+PK$NUM_PEAK: 152
+PK$PEAK: m/z int. rel.int.
+  27.025 4.1245 41
+  28.008 1.5916 16
+  28.03 0.4119 4
+  29.022 0.6417 6
+  29.041 4.4211 44
+  31.02 2.6108 26
+  31.992 0.9557 10
+  39.025 5.9752 60
+  40.033 2.3369 23
+  41.041 28.6801 287
+  42.048 10.5792 106
+  43.02 25.7711 257
+  43.056 5.4037 54
+  44.022 0.9471 9
+  45.016 2.0561 21
+  51.025 1.3906 14
+  52.031 0.8047 8
+  53.022 1.4037 14
+  53.041 1.6462 16
+  55.02 0.9399 9
+  55.057 11.0904 111
+  56.062 0.7354 7
+  57.036 0.5666 6
+  57.072 7.8177 78
+  58.043 5.1187 51
+  58.074 0.5472 5
+  59.015 14.6923 147
+  59.051 13.1579 131
+  60.055 0.4313 4
+  63.026 0.6783 7
+  65.041 1.1603 12
+  66.044 0.3684 4
+  67.057 1.6334 16
+  69.072 3.949 39
+  70.044 0.5233 5
+  71.052 1.2218 12
+  76.03 0.6115 6
+  77.041 9.2646 93
+  78.048 2.9686 30
+  79.056 2.7064 27
+  83.088 15.2863 153
+  84.093 1.7537 18
+  85.067 10.2627 103
+  86.074 1.9478 19
+  87.044 1.3097 13
+  88.054 2.4392 24
+  89.043 0.5172 5
+  90.044 0.3077 3
+  91.056 2.0354 20
+  94.052 0.5061 5
+  99.082 1.0181 10
+  100.051 0.5754 6
+  101.043 0.9848 10
+  101.098 5.0932 51
+  102.047 1.6706 17
+  102.102 0.4011 4
+  103.056 13.3017 133
+  103.127 0.3659 4
+  104.056 10.3048 103
+  104.124 0.3068 3
+  105.054 30.8532 308
+  106.06 2.0179 20
+  107.063 0.4302 4
+  107.569 1.4203 14
+  108.068 4.9937 50
+  108.569 0.775 8
+  113.057 0.5696 6
+  115.056 1.6728 17
+  116.057 1.2188 12
+  117.067 3.0634 31
+  118.077 1.3474 13
+  119.079 0.8748 9
+  127.057 0.4618 5
+  128.059 1.573 16
+  129.059 4.4272 44
+  130.07 22.6103 226
+  131.069 81.4479 814
+  131.586 0.3024 3
+  132.074 18.5937 186
+  133.073 2.3433 23
+  134.074 0.375 4
+  142.077 0.3839 4
+  143.086 1.5364 15
+  144.044 0.382 4
+  144.093 2.5598 26
+  145.1 7.7575 77
+  146.101 4.7997 48
+  147.065 1.1933 12
+  149.08 0.584 6
+  150.086 0.4862 5
+  156.084 0.3506 4
+  157.091 1.1362 11
+  158.061 0.5968 6
+  159.064 1.1536 12
+  159.117 0.803 8
+  160.081 1.7011 17
+  161.079 5.3485 53
+  162.103 1.4128 14
+  171.109 1.1201 11
+  172.11 1.7925 18
+  173.114 2.9262 29
+  174.097 0.5968 6
+  175.063 0.5108 5
+  176.065 0.6733 7
+  186.097 0.895 9
+  187.096 3.6865 37
+  188.102 3.5133 35
+  189.107 1.6232 16
+  190.091 6.1579 62
+  191.089 21.648 216
+  192.093 2.6341 26
+  193.095 0.372 4
+  198.088 0.6627 7
+  199.095 0.5108 5
+  200.108 0.4981 5
+  201.113 1.5575 16
+  202.118 2.5714 26
+  203.127 1.6462 16
+  204.121 5.1237 51
+  205.124 3.872 39
+  206.125 0.5158 5
+  214.092 3.8844 39
+  215.089 16.3144 163
+  215.234 0.3019 3
+  216.095 3.694 37
+  217.1 0.7212 7
+  218.119 0.3659 4
+  219.122 1.3421 13
+  220.124 0.8892 9
+  228.108 7.3237 73
+  228.241 0.3889 4
+  229.107 40.2996 403
+  230.112 52.1993 521
+  230.877 0.2877 3
+  231.156 100 999
+  231.91 0.4975 5
+  232.159 14.931 149
+  232.52 0.329 3
+  233.161 1.5284 15
+  246.119 0.6195 6
+  247.115 2.3336 23
+  248.113 0.4047 4
+  261.134 0.5164 5
+  274.149 4.5785 46
+  275.146 19.9843 200
+  276.149 3.1311 31
+  277.152 0.5233 5
+  289.172 7.3104 73
+  290.169 30.3593 303
+  290.425 0.3487 3
+  291.172 5.0835 51
+  292.175 0.7076 7
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ02468.txt b/MSSJ/MSBNK-MSSJ-MSJ02468.txt
new file mode 100644
index 00000000000..16c6ce44105
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ02468.txt
@@ -0,0 +1,106 @@
+ACCESSION: MSBNK-MSSJ-MSJ02468
+RECORD_TITLE: 2-(3-(4-fluorobenzoyl)phenyl)propanoic acid; GC-EI-TOF; MS; POSITIVE; 70 V
+DATE: 2023.10.01
+AUTHORS: Eiyu Imai, Molecular Structure Characterization Unit, RIKEN, Japan
+LICENSE: CC BY
+COPYRIGHT: Eiyu Imai, Molecular Structure Characterization Unit, RIKEN, Japan
+PUBLICATION: Miho Shukuri, Aya Mawatari, Shuhei Takatani, Tsuyoshi Tahara, Michiko Inoue, Wakiko Arakaki,Masahiro Ohno, Hisashi Doi, and Hirotaka Onoe; J Nucl Med 2022; 63:1761–1767. DOI: 10.2967/jnumed.121.263713
+COMMENT: Original ID of the mass spectral data is A_20210217_takatani4MB/MTA-6_ei.xlsx
+COMMENT: JMS-T100GCV (JEOL, Akishima, Japan) is a reflectron time-of-flight (reTOF) mass spectrometer. Temperature of the ion-source and GC-transfer line were 200 C and 250 C, respectively. Resolving power (FWHM, nominal) was 7000.
+COMMENT: EI voltage was 70 V. Typical accuracy level expected was 5 ppm. The m/z value was adjusted with 272.0849.
+CH$NAME: 2-(3-(4-fluorobenzoyl)phenyl)propanoic acid
+CH$COMPOUND_CLASS: Non-natural compound
+CH$FORMULA: C16H13FO3
+CH$EXACT_MASS: 272.084873
+CH$SMILES: OC(=O)C(C)c1cc(ccc1)C(=O)c1ccc(F)cc1
+CH$IUPAC: InChI=1S/C16H13FO3/c1-10(16(19)20)12-3-2-4-13(9-12)15(18)11-5-7-14(17)8-6-11/h2-10H,1H3,(H,19,20)
+CH$LINK: INCHIKEY KEVQWASTYLLKAI-UHFFFAOYSA-N
+AC$INSTRUMENT: JMS-T100GCV (JEOL, Akishima, Japan) coupled to Agilent 7890A (Santa Clara, CA, USA) gas chromatograph.
+AC$INSTRUMENT_TYPE: GC-EI-TOF
+AC$MASS_SPECTROMETRY: MS_TYPE MS
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION EI
+AC$CHROMATOGRAPHY: CARRIER_GAS He, flow rate 1 ml/min
+AC$CHROMATOGRAPHY: COLUMN_NAME DB-5MS 122-5532 USA360633H (Agilent, Wilmington, USA) with the length 30.0 m, I.D. 0.25 mm, and thickness 0.25 micrometer.
+AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE Initial oven temperature at 70 C for 4 min and ramped at the rate of 30 C/min to 325 C and held at the final temperature for 7.5 min.
+AC$CHROMATOGRAPHY: INJECTION_TEMPERATURE 250 C
+AC$CHROMATOGRAPHY: RETENTION_TIME 11.65 min
+PK$SPLASH: splash10-00fr-6930000000-d20a12adb4fde5615d03
+PK$NUM_PEAK: 75
+PK$PEAK: m/z int. rel.int.
+  22.485 0.5059 5
+  27.025 1.4499 14
+  28.008 4.4972 45
+  31.991 2.5333 25
+  35.978 0.9365 9
+  39.026 2.3808 24
+  43.02 2.766 28
+  45 3.7561 38
+  50.017 1.8619 19
+  51.025 3.9403 39
+  52.034 1.4816 15
+  53.041 1.2365 12
+  55.02 0.9664 10
+  63.025 2.3721 24
+  65.041 1.4792 15
+  69.017 1.079 11
+  73.049 1.3927 14
+  74.018 1.0056 10
+  75.025 10.1008 101
+  76.032 3.0137 30
+  77.041 12.5283 125
+  77.098 0.453 5
+  78.048 6.0149 60
+  79.056 1.44 14
+  89.041 1.5202 15
+  91.056 2.4891 25
+  93.072 1.0311 10
+  94.024 1.6584 17
+  95.031 51.5582 515
+  96.035 3.5681 36
+  99.033 0.4829 5
+  101.04 0.9452 9
+  102.048 2.4798 25
+  103.057 13.3286 133
+  103.111 0.631 6
+  104.064 6.5202 65
+  105.037 1.0243 10
+  105.07 1.6503 16
+  121.067 0.6273 6
+  123.026 100 999
+  124.029 7.2763 73
+  125.034 0.5837 6
+  131.052 2.5986 26
+  132.059 1.1332 11
+  133.054 1.1002 11
+  134.04 0.7013 7
+  147.028 0.4574 5
+  149.059 1.7474 17
+  163.043 0.7169 7
+  170.054 1.6764 17
+  171.063 0.7001 7
+  175.054 0.5128 5
+  177.056 21.8289 218
+  177.223 0.5184 5
+  178.06 2.6036 26
+  179.089 0.8656 9
+  183.062 2.2421 22
+  184.067 0.9235 9
+  196.067 1.252 13
+  197.077 0.8388 8
+  199.056 7.3734 74
+  199.145 0.5831 6
+  200.058 1.1966 12
+  207.033 1.5557 16
+  212.064 3.2638 33
+  225.075 0.519 5
+  226.078 0.8643 9
+  227.087 29.0853 291
+  227.245 0.6385 6
+  228.092 8.781 88
+  228.198 0.4767 5
+  229.096 1.369 14
+  272.085 21.58 216
+  273.087 3.6708 37
+  274.07 0.4711 5
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ03000.txt b/MSSJ/MSBNK-MSSJ-MSJ03000.txt
new file mode 100644
index 00000000000..c765af4cc56
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ03000.txt
@@ -0,0 +1,41 @@
+ACCESSION: MSBNK-MSSJ-MSJ03000
+RECORD_TITLE: Clofedanol; LC-ESI-QQ; MS; ESI; POSITIVE
+DATE: 2023.04.05
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230405-1.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Clofedanol
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C17H20ClNO
+CH$EXACT_MASS: 289.123338
+CH$SMILES: CN(C)CCC(C1=CC=CC=C1)(C2=CC=CC=C2Cl)O
+CH$IUPAC: InChI=1S/C17H20ClNO/c1-19(2)13-12-17(20,14-8-4-3-5-9-14)15-10-6-7-11-16(15)18/h3-11,20H,12-13H2,1-2H3
+CH$LINK: CAS 791-35-5
+CH$LINK: CHEMSPIDER 2693
+CH$LINK: INCHIKEY WRCHFMBCVFFYEQ-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:2795
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.934 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+PK$SPLASH: splash10-0006-0090000000-db9ade6aabf0b1d8d208
+PK$NUM_PEAK: 8
+PK$PEAK: m/z int. rel.int.
+  122.2 32008 35
+  123.2 16115 17
+  181.2 9450 10
+  215.2 16167 17
+  290.2 924826 999
+  291.2 162186 175
+  292.2 313998 339
+  293.2 63091 68
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ03001.txt b/MSSJ/MSBNK-MSSJ-MSJ03001.txt
new file mode 100644
index 00000000000..5288826931a
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ03001.txt
@@ -0,0 +1,39 @@
+ACCESSION: MSBNK-MSSJ-MSJ03001
+RECORD_TITLE: Clofedanol; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 10 V; [M+H]+
+DATE: 2023.04.05
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230405-1.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Clofedanol
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C17H20ClNO
+CH$EXACT_MASS: 289.123338
+CH$SMILES: CN(C)CCC(C1=CC=CC=C1)(C2=CC=CC=C2Cl)O
+CH$IUPAC: InChI=1S/C17H20ClNO/c1-19(2)13-12-17(20,14-8-4-3-5-9-14)15-10-6-7-11-16(15)18/h3-11,20H,12-13H2,1-2H3
+CH$LINK: CAS 47739-98-0
+CH$LINK: CHEMSPIDER 2691
+CH$LINK: INCHIKEY WRCHFMBCVFFYEQ-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:2793
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.934 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 290.130615
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-0006-3090000000-fa443bf21162f732e3d1
+PK$NUM_PEAK: 2
+PK$PEAK: m/z int. rel.int.
+  58.3 432984 363
+  290.2 1193025 999
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ03002.txt b/MSSJ/MSBNK-MSSJ-MSJ03002.txt
new file mode 100644
index 00000000000..2b2dc77f825
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ03002.txt
@@ -0,0 +1,39 @@
+ACCESSION: MSBNK-MSSJ-MSJ03002
+RECORD_TITLE: Clofedanol; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 20 V; [M+H]+
+DATE: 2023.04.05
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230405-1.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Clofedanol
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C17H20ClNO
+CH$EXACT_MASS: 289.123338
+CH$SMILES: CN(C)CCC(C1=CC=CC=C1)(C2=CC=CC=C2Cl)O
+CH$IUPAC: InChI=1S/C17H20ClNO/c1-19(2)13-12-17(20,14-8-4-3-5-9-14)15-10-6-7-11-16(15)18/h3-11,20H,12-13H2,1-2H3
+CH$LINK: CAS 791-35-5
+CH$LINK: CHEMSPIDER 2693
+CH$LINK: INCHIKEY WRCHFMBCVFFYEQ-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:2795
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.934 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 290.130615
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-0a4i-9000000000-a73893b3eb4b3713f517
+PK$NUM_PEAK: 2
+PK$PEAK: m/z int. rel.int.
+  58.3 943850 999
+  290.1 12634 13
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ03003.txt b/MSSJ/MSBNK-MSSJ-MSJ03003.txt
new file mode 100644
index 00000000000..6662c7ede80
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ03003.txt
@@ -0,0 +1,38 @@
+ACCESSION: MSBNK-MSSJ-MSJ03003
+RECORD_TITLE: Clofedanol; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 30 V; [M+H]+
+DATE: 2023.04.05
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230405-1.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Clofedanol
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C17H20ClNO
+CH$EXACT_MASS: 289.123338
+CH$SMILES: CN(C)CCC(C1=CC=CC=C1)(C2=CC=CC=C2Cl)O
+CH$IUPAC: InChI=1S/C17H20ClNO/c1-19(2)13-12-17(20,14-8-4-3-5-9-14)15-10-6-7-11-16(15)18/h3-11,20H,12-13H2,1-2H3
+CH$LINK: CAS 791-35-5
+CH$LINK: CHEMSPIDER 2693
+CH$LINK: INCHIKEY WRCHFMBCVFFYEQ-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:2795
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.934 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 290.130615
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-0a4i-9000000000-df7be8314ad8163e13d4
+PK$NUM_PEAK: 1
+PK$PEAK: m/z int. rel.int.
+  58.3 867858 999
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ03004.txt b/MSSJ/MSBNK-MSSJ-MSJ03004.txt
new file mode 100644
index 00000000000..cbd87f5cd07
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ03004.txt
@@ -0,0 +1,39 @@
+ACCESSION: MSBNK-MSSJ-MSJ03004
+RECORD_TITLE: Clofedanol; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 40 V; [M+H]+
+DATE: 2023.04.05
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230405-1.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Clofedanol
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C17H20ClNO
+CH$EXACT_MASS: 289.123338
+CH$SMILES: CN(C)CCC(C1=CC=CC=C1)(C2=CC=CC=C2Cl)O
+CH$IUPAC: InChI=1S/C17H20ClNO/c1-19(2)13-12-17(20,14-8-4-3-5-9-14)15-10-6-7-11-16(15)18/h3-11,20H,12-13H2,1-2H3
+CH$LINK: CAS 791-35-5
+CH$LINK: CHEMSPIDER 2693
+CH$LINK: INCHIKEY WRCHFMBCVFFYEQ-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:2795
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.934 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 290.130615
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-0a4i-9000000000-126dfa93170580113ca4
+PK$NUM_PEAK: 2
+PK$PEAK: m/z int. rel.int.
+  30.4 7949 12
+  58.3 673600 999
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ03005.txt b/MSSJ/MSBNK-MSSJ-MSJ03005.txt
new file mode 100644
index 00000000000..da187d0b907
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ03005.txt
@@ -0,0 +1,42 @@
+ACCESSION: MSBNK-MSSJ-MSJ03005
+RECORD_TITLE: Clofedanol; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 50 V; [M+H]+
+DATE: 2023.04.05
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230405-1.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Clofedanol
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C17H20ClNO
+CH$EXACT_MASS: 289.123338
+CH$SMILES: CN(C)CCC(C1=CC=CC=C1)(C2=CC=CC=C2Cl)O
+CH$IUPAC: InChI=1S/C17H20ClNO/c1-19(2)13-12-17(20,14-8-4-3-5-9-14)15-10-6-7-11-16(15)18/h3-11,20H,12-13H2,1-2H3
+CH$LINK: CAS 791-35-5
+CH$LINK: CHEMSPIDER 2693
+CH$LINK: INCHIKEY WRCHFMBCVFFYEQ-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:2795
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.934 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 290.130615
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-0a4i-9000000000-e1df7e924adfa8fe6985
+PK$NUM_PEAK: 5
+PK$PEAK: m/z int. rel.int.
+  30.4 11045 22
+  42.3 17110 33
+  43.3 11905 23
+  56.2 7541 15
+  58.3 513001 999
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ03006.txt b/MSSJ/MSBNK-MSSJ-MSJ03006.txt
new file mode 100644
index 00000000000..4cded99d922
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ03006.txt
@@ -0,0 +1,40 @@
+ACCESSION: MSBNK-MSSJ-MSJ03006
+RECORD_TITLE: Clomipramine; LC-ESI-QQ; MS; ESI; POSITIVE
+DATE: 2023.04.05
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230405-1.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Clomipramine
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C19H23ClN2
+CH$EXACT_MASS: 314.154968
+CH$SMILES: CN(C)CCCN1C2=CC=CC=C2CCC3=C1C=C(C=C3)Cl
+CH$IUPAC: InChI=1S/C19H23ClN2/c1-21(2)12-5-13-22-18-7-4-3-6-15(18)8-9-16-10-11-17(20)14-19(16)22/h3-4,6-7,10-11,14H,5,8-9,12-13H2,1-2H3
+CH$LINK: CAS 303-49-1
+CH$LINK: CHEMSPIDER 2699
+CH$LINK: INCHIKEY GDLIGKIOYRNHDA-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:2801
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.593 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+PK$SPLASH: splash10-014i-0009000000-0e310ef7d6b5139bcc4c
+PK$NUM_PEAK: 7
+PK$PEAK: m/z int. rel.int.
+  249.3 22661 15
+  315.2 1515148 999
+  316.2 315600 208
+  317.3 573518 378
+  318.2 90830 60
+  327.1 28095 19
+  329.1 20453 13
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ03007.txt b/MSSJ/MSBNK-MSSJ-MSJ03007.txt
new file mode 100644
index 00000000000..00287a9ddea
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ03007.txt
@@ -0,0 +1,40 @@
+ACCESSION: MSBNK-MSSJ-MSJ03007
+RECORD_TITLE: Clomipramine; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 10 V; [M+H]+
+DATE: 2023.04.05
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230405-1.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Clomipramine
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C19H23ClN2
+CH$EXACT_MASS: 314.154968
+CH$SMILES: CN(C)CCCN1C2=CC=CC=C2CCC3=C1C=C(C=C3)Cl
+CH$IUPAC: InChI=1S/C19H23ClN2/c1-21(2)12-5-13-22-18-7-4-3-6-15(18)8-9-16-10-11-17(20)14-19(16)22/h3-4,6-7,10-11,14H,5,8-9,12-13H2,1-2H3
+CH$LINK: CAS 303-49-1
+CH$LINK: CHEMSPIDER 2699
+CH$LINK: INCHIKEY GDLIGKIOYRNHDA-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:2801
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.593 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 315.162245
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-014i-1009000000-432d0cae22c76ac88419
+PK$NUM_PEAK: 3
+PK$PEAK: m/z int. rel.int.
+  58.3 10198 13
+  86.3 128702 170
+  315.2 758364 999
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ03008.txt b/MSSJ/MSBNK-MSSJ-MSJ03008.txt
new file mode 100644
index 00000000000..9ff4fc2a72d
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ03008.txt
@@ -0,0 +1,42 @@
+ACCESSION: MSBNK-MSSJ-MSJ03008
+RECORD_TITLE: Clomipramine; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 20 V; [M+H]+
+DATE: 2023.04.05
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230405-1.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Clomipramine
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C19H23ClN2
+CH$EXACT_MASS: 314.154968
+CH$SMILES: CN(C)CCCN1C2=CC=CC=C2CCC3=C1C=C(C=C3)Cl
+CH$IUPAC: InChI=1S/C19H23ClN2/c1-21(2)12-5-13-22-18-7-4-3-6-15(18)8-9-16-10-11-17(20)14-19(16)22/h3-4,6-7,10-11,14H,5,8-9,12-13H2,1-2H3
+CH$LINK: CAS 303-49-1
+CH$LINK: CHEMSPIDER 2699
+CH$LINK: INCHIKEY GDLIGKIOYRNHDA-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:2801
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.593 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 315.162245
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-000i-9000000000-1968a35758f8f3b96e47
+PK$NUM_PEAK: 5
+PK$PEAK: m/z int. rel.int.
+  58.3 134088 280
+  86.3 477878 999
+  242.2 11406 24
+  270.2 15883 33
+  315.2 54705 114
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ03009.txt b/MSSJ/MSBNK-MSSJ-MSJ03009.txt
new file mode 100644
index 00000000000..f3d1639c169
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ03009.txt
@@ -0,0 +1,43 @@
+ACCESSION: MSBNK-MSSJ-MSJ03009
+RECORD_TITLE: Clomipramine; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 30 V; [M+H]+
+DATE: 2023.04.05
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230405-1.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Clomipramine
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C19H23ClN2
+CH$EXACT_MASS: 314.154968
+CH$SMILES: CN(C)CCCN1C2=CC=CC=C2CCC3=C1C=C(C=C3)Cl
+CH$IUPAC: InChI=1S/C19H23ClN2/c1-21(2)12-5-13-22-18-7-4-3-6-15(18)8-9-16-10-11-17(20)14-19(16)22/h3-4,6-7,10-11,14H,5,8-9,12-13H2,1-2H3
+CH$LINK: CAS 303-49-1
+CH$LINK: CHEMSPIDER 2699
+CH$LINK: INCHIKEY GDLIGKIOYRNHDA-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:2801
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.593 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 315.162245
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-052r-9000000000-fc7afbb32f773ba60f73
+PK$NUM_PEAK: 6
+PK$PEAK: m/z int. rel.int.
+  58.3 281773 807
+  86.3 348681 999
+  220.2 6567 19
+  227.2 10990 31
+  235.3 4024 12
+  242.1 22387 64
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ03010.txt b/MSSJ/MSBNK-MSSJ-MSJ03010.txt
new file mode 100644
index 00000000000..e72ce408c93
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ03010.txt
@@ -0,0 +1,46 @@
+ACCESSION: MSBNK-MSSJ-MSJ03010
+RECORD_TITLE: Clomipramine; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 40 V; [M+H]+
+DATE: 2023.04.05
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230405-1.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Clomipramine
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C19H23ClN2
+CH$EXACT_MASS: 314.154968
+CH$SMILES: CN(C)CCCN1C2=CC=CC=C2CCC3=C1C=C(C=C3)Cl
+CH$IUPAC: InChI=1S/C19H23ClN2/c1-21(2)12-5-13-22-18-7-4-3-6-15(18)8-9-16-10-11-17(20)14-19(16)22/h3-4,6-7,10-11,14H,5,8-9,12-13H2,1-2H3
+CH$LINK: CAS 303-49-1
+CH$LINK: CHEMSPIDER 2699
+CH$LINK: INCHIKEY GDLIGKIOYRNHDA-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:2801
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.593 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 315.162245
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-0a4i-9010000000-4511df7f373cd846cc3a
+PK$NUM_PEAK: 9
+PK$PEAK: m/z int. rel.int.
+  42.4 3333 11
+  58.3 310391 999
+  86.3 136943 441
+  192.2 4785 15
+  206.2 5862 19
+  220.2 6978 22
+  227.2 28202 91
+  234.3 3892 13
+  242.1 11906 38
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ03011.txt b/MSSJ/MSBNK-MSSJ-MSJ03011.txt
new file mode 100644
index 00000000000..b5472ee6ce2
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ03011.txt
@@ -0,0 +1,49 @@
+ACCESSION: MSBNK-MSSJ-MSJ03011
+RECORD_TITLE: Clomipramine; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 50 V; [M+H]+
+DATE: 2023.04.05
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230405-1.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Clomipramine
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C19H23ClN2
+CH$EXACT_MASS: 314.154968
+CH$SMILES: CN(C)CCCN1C2=CC=CC=C2CCC3=C1C=C(C=C3)Cl
+CH$IUPAC: InChI=1S/C19H23ClN2/c1-21(2)12-5-13-22-18-7-4-3-6-15(18)8-9-16-10-11-17(20)14-19(16)22/h3-4,6-7,10-11,14H,5,8-9,12-13H2,1-2H3
+CH$LINK: CAS 303-49-1
+CH$LINK: CHEMSPIDER 2699
+CH$LINK: INCHIKEY GDLIGKIOYRNHDA-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:2801
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.593 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 315.162245
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-0a4i-9000000000-9c62826bdc806bd199e8
+PK$NUM_PEAK: 12
+PK$PEAK: m/z int. rel.int.
+  30.3 4000 15
+  42.3 3484 13
+  43.3 3612 13
+  56.3 3602 13
+  58.3 274957 999
+  71.4 4446 16
+  86.3 32401 118
+  165.1 3453 13
+  192.1 8499 31
+  206.0 3273 12
+  220.1 3087 11
+  227.1 17552 64
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ03012.txt b/MSSJ/MSBNK-MSSJ-MSJ03012.txt
new file mode 100644
index 00000000000..f2d99f78173
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ03012.txt
@@ -0,0 +1,36 @@
+ACCESSION: MSBNK-MSSJ-MSJ03012
+RECORD_TITLE: Chlorzoxazone; LC-ESI-QQ; MS; ESI; NEGATIVE
+DATE: 2023.04.05
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230405-1.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Chlorzoxazone
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C7H4ClNO2
+CH$EXACT_MASS: 168.993053
+CH$SMILES: C1=CC2=C(C=C1Cl)NC(=O)O2
+CH$IUPAC: InChI=1S/C7H4ClNO2/c8-4-1-2-6-5(3-4)9-7(10)11-6/h1-3H,(H,9,10)
+CH$LINK: CAS 95-25-0
+CH$LINK: CHEMSPIDER 2632
+CH$LINK: INCHIKEY TZFWDZFKRBELIQ-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:2733
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.312 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+PK$SPLASH: splash10-014i-0900000000-1839f27603b3af3a1cfa
+PK$NUM_PEAK: 3
+PK$PEAK: m/z int. rel.int.
+  167.9 3611175 999
+  169.9 1208790 334
+  171.0 97814 27
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ03013.txt b/MSSJ/MSBNK-MSSJ-MSJ03013.txt
new file mode 100644
index 00000000000..a8f6a600b1e
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ03013.txt
@@ -0,0 +1,39 @@
+ACCESSION: MSBNK-MSSJ-MSJ03013
+RECORD_TITLE: Chlorzoxazone; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 10 V; [M-H]-
+DATE: 2023.04.05
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230405-1.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Chlorzoxazone
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C7H4ClNO2
+CH$EXACT_MASS: 168.993053
+CH$SMILES: C1=CC2=C(C=C1Cl)NC(=O)O2
+CH$IUPAC: InChI=1S/C7H4ClNO2/c8-4-1-2-6-5(3-4)9-7(10)11-6/h1-3H,(H,9,10)
+CH$LINK: CAS 95-25-0
+CH$LINK: CHEMSPIDER 2632
+CH$LINK: INCHIKEY TZFWDZFKRBELIQ-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:2733
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.312 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 167.985776
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+PK$SPLASH: splash10-014i-0900000000-91cc47aa65d531992f3b
+PK$NUM_PEAK: 2
+PK$PEAK: m/z int. rel.int.
+  132.0 279979 110
+  168.0 2532691 999
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ03014.txt b/MSSJ/MSBNK-MSSJ-MSJ03014.txt
new file mode 100644
index 00000000000..be74bb17da0
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ03014.txt
@@ -0,0 +1,41 @@
+ACCESSION: MSBNK-MSSJ-MSJ03014
+RECORD_TITLE: Chlorzoxazone; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 20 V; [M-H]-
+DATE: 2023.04.05
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230405-1.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Chlorzoxazone
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C7H4ClNO2
+CH$EXACT_MASS: 168.993053
+CH$SMILES: C1=CC2=C(C=C1Cl)NC(=O)O2
+CH$IUPAC: InChI=1S/C7H4ClNO2/c8-4-1-2-6-5(3-4)9-7(10)11-6/h1-3H,(H,9,10)
+CH$LINK: CAS 95-25-0
+CH$LINK: CHEMSPIDER 2632
+CH$LINK: INCHIKEY TZFWDZFKRBELIQ-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:2733
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.312 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 167.985776
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+PK$SPLASH: splash10-014i-0900000000-1ae9b9e74e27f80a1774
+PK$NUM_PEAK: 4
+PK$PEAK: m/z int. rel.int.
+  35.1 27195 29
+  76.1 24490 26
+  132.0 340577 367
+  168.0 926448 999
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ03015.txt b/MSSJ/MSBNK-MSSJ-MSJ03015.txt
new file mode 100644
index 00000000000..12c70d4abfe
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ03015.txt
@@ -0,0 +1,47 @@
+ACCESSION: MSBNK-MSSJ-MSJ03015
+RECORD_TITLE: Chlorzoxazone; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 30 V; [M-H]-
+DATE: 2023.04.05
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230405-1.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Chlorzoxazone
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C7H4ClNO2
+CH$EXACT_MASS: 168.993053
+CH$SMILES: C1=CC2=C(C=C1Cl)NC(=O)O2
+CH$IUPAC: InChI=1S/C7H4ClNO2/c8-4-1-2-6-5(3-4)9-7(10)11-6/h1-3H,(H,9,10)
+CH$LINK: CAS 95-25-0
+CH$LINK: CHEMSPIDER 2632
+CH$LINK: INCHIKEY TZFWDZFKRBELIQ-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:2733
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.312 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 167.985776
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+PK$SPLASH: splash10-001i-3900000000-b49a892b45a0cf3c56df
+PK$NUM_PEAK: 10
+PK$PEAK: m/z int. rel.int.
+  26.2 4057 22
+  35.1 43017 235
+  42.1 3824 21
+  50.0 8268 45
+  76.1 40709 222
+  89.1 1947 11
+  104.0 6384 35
+  125.1 2376 13
+  132.0 182883 999
+  167.9 83483 456
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ03016.txt b/MSSJ/MSBNK-MSSJ-MSJ03016.txt
new file mode 100644
index 00000000000..ef078306a33
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ03016.txt
@@ -0,0 +1,51 @@
+ACCESSION: MSBNK-MSSJ-MSJ03016
+RECORD_TITLE: Chlorzoxazone; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 40 V; [M-H]-
+DATE: 2023.04.05
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230405-1.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Chlorzoxazone
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C7H4ClNO2
+CH$EXACT_MASS: 168.993053
+CH$SMILES: C1=CC2=C(C=C1Cl)NC(=O)O2
+CH$IUPAC: InChI=1S/C7H4ClNO2/c8-4-1-2-6-5(3-4)9-7(10)11-6/h1-3H,(H,9,10)
+CH$LINK: CAS 95-25-0
+CH$LINK: CHEMSPIDER 2632
+CH$LINK: INCHIKEY TZFWDZFKRBELIQ-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:2733
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.312 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 167.985776
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+PK$SPLASH: splash10-0019-9500000000-7dc8bce3cf057a606e6a
+PK$NUM_PEAK: 14
+PK$PEAK: m/z int. rel.int.
+  26.2 4200 119
+  35.0 35166 999
+  42.1 4361 124
+  49.1 1718 49
+  50.1 8919 253
+  54.1 761 22
+  60.9 1581 45
+  76.0 9850 280
+  77.2 456 13
+  82.1 759 22
+  103.7 781 22
+  132.0 21634 615
+  162.2 510 14
+  167.9 15883 451
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ03017.txt b/MSSJ/MSBNK-MSSJ-MSJ03017.txt
new file mode 100644
index 00000000000..abd22cd2cbc
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ03017.txt
@@ -0,0 +1,50 @@
+ACCESSION: MSBNK-MSSJ-MSJ03017
+RECORD_TITLE: Chlorzoxazone; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 50 V; [M-H]-
+DATE: 2023.04.05
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230405-1.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Chlorzoxazone
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C7H4ClNO2
+CH$EXACT_MASS: 168.993053
+CH$SMILES: C1=CC2=C(C=C1Cl)NC(=O)O2
+CH$IUPAC: InChI=1S/C7H4ClNO2/c8-4-1-2-6-5(3-4)9-7(10)11-6/h1-3H,(H,9,10)
+CH$LINK: CAS 95-25-0
+CH$LINK: CHEMSPIDER 2632
+CH$LINK: INCHIKEY TZFWDZFKRBELIQ-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:2733
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.312 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 167.985776
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+PK$SPLASH: splash10-000i-9300000000-22500480ee52f58ef4e9
+PK$NUM_PEAK: 13
+PK$PEAK: m/z int. rel.int.
+  26.2 2650 90
+  35.1 29339 999
+  42.1 8335 284
+  50.0 7217 246
+  54.0 479 16
+  60.5 819 28
+  61.2 1083 37
+  64.9 1667 57
+  76.1 2682 91
+  81.9 1468 50
+  104.3 398 14
+  131.9 5888 200
+  167.8 13168 448
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ03018.txt b/MSSJ/MSBNK-MSSJ-MSJ03018.txt
new file mode 100644
index 00000000000..c30e410b4fa
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ03018.txt
@@ -0,0 +1,42 @@
+ACCESSION: MSBNK-MSSJ-MSJ03018
+RECORD_TITLE: Chlorpheniramine; LC-ESI-QQ; MS; ESI; POSITIVE
+DATE: 2023.04.05
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230405-1.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Chlorpheniramine
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C16H19ClN2
+CH$EXACT_MASS: 274.123668
+CH$SMILES: CN(C)CCC(C1=CC=C(C=C1)Cl)C2=CC=CC=N2
+CH$IUPAC: InChI=1S/C16H19ClN2/c1-19(2)12-10-15(16-5-3-4-11-18-16)13-6-8-14(17)9-7-13/h3-9,11,15H,10,12H2,1-2H3
+CH$LINK: CAS 132-22-9
+CH$LINK: CHEMSPIDER 2624
+CH$LINK: INCHIKEY SOYKEARSMXGVTM-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:2725
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.639 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+PK$SPLASH: splash10-004i-0090000000-0b77045c2cde83b93414
+PK$NUM_PEAK: 9
+PK$PEAK: m/z int. rel.int.
+  122.3 20062 16
+  163.2 17528 14
+  230.1 98014 76
+  232.2 33528 26
+  240.2 16505 13
+  275.2 1287033 999
+  276.2 211116 164
+  277.2 377884 293
+  278.2 69798 54
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ03019.txt b/MSSJ/MSBNK-MSSJ-MSJ03019.txt
new file mode 100644
index 00000000000..cce7a98a88a
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ03019.txt
@@ -0,0 +1,39 @@
+ACCESSION: MSBNK-MSSJ-MSJ03019
+RECORD_TITLE: Chlorpheniramine; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 10 V; [M+H]+
+DATE: 2023.04.05
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230405-1.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Chlorpheniramine
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C16H19ClN2
+CH$EXACT_MASS: 274.123668
+CH$SMILES: CN(C)CCC(C1=CC=C(C=C1)Cl)C2=CC=CC=N2
+CH$IUPAC: InChI=1S/C16H19ClN2/c1-19(2)12-10-15(16-5-3-4-11-18-16)13-6-8-14(17)9-7-13/h3-9,11,15H,10,12H2,1-2H3
+CH$LINK: CAS 132-22-9
+CH$LINK: CHEMSPIDER 2624
+CH$LINK: INCHIKEY SOYKEARSMXGVTM-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:2725
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.639 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 275.130945
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-0059-0090000000-0d73d77db27bb0c1c858
+PK$NUM_PEAK: 2
+PK$PEAK: m/z int. rel.int.
+  230.2 703978 984
+  275.2 714832 999
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ03020.txt b/MSSJ/MSBNK-MSSJ-MSJ03020.txt
new file mode 100644
index 00000000000..cc70bf5d139
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ03020.txt
@@ -0,0 +1,39 @@
+ACCESSION: MSBNK-MSSJ-MSJ03020
+RECORD_TITLE: Chlorpheniramine; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 20 V; [M+H]+
+DATE: 2023.04.05
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230405-1.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Chlorpheniramine
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C16H19ClN2
+CH$EXACT_MASS: 274.123668
+CH$SMILES: CN(C)CCC(C1=CC=C(C=C1)Cl)C2=CC=CC=N2
+CH$IUPAC: InChI=1S/C16H19ClN2/c1-19(2)12-10-15(16-5-3-4-11-18-16)13-6-8-14(17)9-7-13/h3-9,11,15H,10,12H2,1-2H3
+CH$LINK: CAS 132-22-9
+CH$LINK: CHEMSPIDER 2624
+CH$LINK: INCHIKEY SOYKEARSMXGVTM-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:2725
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.639 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 275.130945
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-001i-0090000000-8533d0769dd720259ad2
+PK$NUM_PEAK: 2
+PK$PEAK: m/z int. rel.int.
+  167.1 23214 20
+  230.2 1187826 999
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ03021.txt b/MSSJ/MSBNK-MSSJ-MSJ03021.txt
new file mode 100644
index 00000000000..36ada11e177
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ03021.txt
@@ -0,0 +1,48 @@
+ACCESSION: MSBNK-MSSJ-MSJ03021
+RECORD_TITLE: Chlorpheniramine; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 30 V; [M+H]+
+DATE: 2023.04.05
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230405-1.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Chlorpheniramine
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C16H19ClN2
+CH$EXACT_MASS: 274.123668
+CH$SMILES: CN(C)CCC(C1=CC=C(C=C1)Cl)C2=CC=CC=N2
+CH$IUPAC: InChI=1S/C16H19ClN2/c1-19(2)12-10-15(16-5-3-4-11-18-16)13-6-8-14(17)9-7-13/h3-9,11,15H,10,12H2,1-2H3
+CH$LINK: CAS 132-22-9
+CH$LINK: CHEMSPIDER 2624
+CH$LINK: INCHIKEY SOYKEARSMXGVTM-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:2725
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.639 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 275.130945
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-001i-0490000000-6154ec3de5d0ecb41665
+PK$NUM_PEAK: 11
+PK$PEAK: m/z int. rel.int.
+  91.2 6320 11
+  117.3 9636 17
+  118.2 26475 47
+  125.1 22747 40
+  167.1 226986 404
+  180.2 18748 33
+  194.2 10646 19
+  195.2 9777 17
+  201.1 29211 52
+  202.1 34654 62
+  230.1 561208 999
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ03022.txt b/MSSJ/MSBNK-MSSJ-MSJ03022.txt
new file mode 100644
index 00000000000..d3881945faa
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ03022.txt
@@ -0,0 +1,53 @@
+ACCESSION: MSBNK-MSSJ-MSJ03022
+RECORD_TITLE: Chlorpheniramine; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 40 V; [M+H]+
+DATE: 2023.04.05
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230405-1.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Chlorpheniramine
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C16H19ClN2
+CH$EXACT_MASS: 274.123668
+CH$SMILES: CN(C)CCC(C1=CC=C(C=C1)Cl)C2=CC=CC=N2
+CH$IUPAC: InChI=1S/C16H19ClN2/c1-19(2)12-10-15(16-5-3-4-11-18-16)13-6-8-14(17)9-7-13/h3-9,11,15H,10,12H2,1-2H3
+CH$LINK: CAS 132-22-9
+CH$LINK: CHEMSPIDER 2624
+CH$LINK: INCHIKEY SOYKEARSMXGVTM-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:2725
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.639 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 275.130945
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-014i-0910000000-ff5b80e47d5ddb818652
+PK$NUM_PEAK: 16
+PK$PEAK: m/z int. rel.int.
+  91.2 23821 56
+  92.3 7623 18
+  117.2 21712 51
+  118.2 50106 117
+  119.3 9080 21
+  125.1 43077 101
+  166.1 5608 13
+  167.1 427675 999
+  180.2 36533 85
+  193.1 8675 20
+  194.2 17494 41
+  195.2 4834 11
+  201.0 51218 120
+  202.1 15514 36
+  228.1 5701 13
+  230.1 59946 140
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ03023.txt b/MSSJ/MSBNK-MSSJ-MSJ03023.txt
new file mode 100644
index 00000000000..c3c179fdbb0
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ03023.txt
@@ -0,0 +1,58 @@
+ACCESSION: MSBNK-MSSJ-MSJ03023
+RECORD_TITLE: Chlorpheniramine; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 50 V; [M+H]+
+DATE: 2023.04.05
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230405-1.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Chlorpheniramine
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C16H19ClN2
+CH$EXACT_MASS: 274.123668
+CH$SMILES: CN(C)CCC(C1=CC=C(C=C1)Cl)C2=CC=CC=N2
+CH$IUPAC: InChI=1S/C16H19ClN2/c1-19(2)12-10-15(16-5-3-4-11-18-16)13-6-8-14(17)9-7-13/h3-9,11,15H,10,12H2,1-2H3
+CH$LINK: CAS 132-22-9
+CH$LINK: CHEMSPIDER 2624
+CH$LINK: INCHIKEY SOYKEARSMXGVTM-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:2725
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.639 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 275.130945
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-014i-0900000000-a4366487052ea3ca6f57
+PK$NUM_PEAK: 21
+PK$PEAK: m/z int. rel.int.
+  65.3 6897 20
+  89.2 4513 13
+  90.2 7824 23
+  91.2 21117 61
+  92.2 6085 18
+  93.2 7352 21
+  116.1 4872 14
+  117.1 32586 94
+  118.2 67030 193
+  119.2 10199 29
+  125.2 30796 89
+  139.2 9235 27
+  140.1 6902 20
+  166.1 50563 146
+  167.1 346981 999
+  180.1 13418 39
+  192.1 5552 16
+  193.2 4730 14
+  194.2 15524 45
+  201.0 19220 55
+  230.2 7693 22
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ03024.txt b/MSSJ/MSBNK-MSSJ-MSJ03024.txt
new file mode 100644
index 00000000000..a9cfb4c6d5c
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ03024.txt
@@ -0,0 +1,36 @@
+ACCESSION: MSBNK-MSSJ-MSJ03024
+RECORD_TITLE: Cyproheptadine; LC-ESI-QQ; MS; ESI; POSITIVE
+DATE: 2023.04.05
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230406-1.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Cyproheptadine
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C21H21N
+CH$EXACT_MASS: 287.167395
+CH$SMILES: CN1CCC(=C2C3=CC=CC=C3C=CC4=CC=CC=C42)CC1
+CH$IUPAC: InChI=1S/C21H21N/c1-22-14-12-18(13-15-22)21-19-8-4-2-6-16(19)10-11-17-7-3-5-9-20(17)21/h2-11H,12-15H2,1H3
+CH$LINK: CAS 129-03-3
+CH$LINK: CHEMSPIDER 2810
+CH$LINK: INCHIKEY JJCFRYNCJDLXIK-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:2913
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.411 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+PK$SPLASH: splash10-000i-0090000000-1b88a155a290ad910368
+PK$NUM_PEAK: 3
+PK$PEAK: m/z int. rel.int.
+  288.3 3341112 999
+  289.3 750767 224
+  290.3 61706 18
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ03025.txt b/MSSJ/MSBNK-MSSJ-MSJ03025.txt
new file mode 100644
index 00000000000..8759b4b4a8e
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ03025.txt
@@ -0,0 +1,38 @@
+ACCESSION: MSBNK-MSSJ-MSJ03025
+RECORD_TITLE: Cyproheptadine; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 10 V; [M+H]+
+DATE: 2023.04.05
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230406-1.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Cyproheptadine
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C21H21N
+CH$EXACT_MASS: 287.167395
+CH$SMILES: CN1CCC(=C2C3=CC=CC=C3C=CC4=CC=CC=C42)CC1
+CH$IUPAC: InChI=1S/C21H21N/c1-22-14-12-18(13-15-22)21-19-8-4-2-6-16(19)10-11-17-7-3-5-9-20(17)21/h2-11H,12-15H2,1H3
+CH$LINK: CAS 129-03-3
+CH$LINK: CHEMSPIDER 2810
+CH$LINK: INCHIKEY JJCFRYNCJDLXIK-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:2913
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.411 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 288.174672
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-000i-0090000000-a18fae1267e8da1f5c1b
+PK$NUM_PEAK: 1
+PK$PEAK: m/z int. rel.int.
+  288.2 2264841 999
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ03026.txt b/MSSJ/MSBNK-MSSJ-MSJ03026.txt
new file mode 100644
index 00000000000..79eb75878f5
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ03026.txt
@@ -0,0 +1,58 @@
+ACCESSION: MSBNK-MSSJ-MSJ03026
+RECORD_TITLE: Cyproheptadine; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 20 V; [M+H]+
+DATE: 2023.04.05
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230406-1.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Cyproheptadine
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C21H21N
+CH$EXACT_MASS: 287.167395
+CH$SMILES: CN1CCC(=C2C3=CC=CC=C3C=CC4=CC=CC=C42)CC1
+CH$IUPAC: InChI=1S/C21H21N/c1-22-14-12-18(13-15-22)21-19-8-4-2-6-16(19)10-11-17-7-3-5-9-20(17)21/h2-11H,12-15H2,1H3
+CH$LINK: CAS 129-03-3
+CH$LINK: CHEMSPIDER 2810
+CH$LINK: INCHIKEY JJCFRYNCJDLXIK-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:2913
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.411 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 288.174672
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-000i-4290000000-34d30155a13f558e5811
+PK$NUM_PEAK: 21
+PK$PEAK: m/z int. rel.int.
+  44.3 19959 29
+  58.3 126406 182
+  70.2 44218 64
+  82.3 9024 13
+  94.3 12072 17
+  96.2 156698 226
+  97.2 20772 30
+  110.2 44582 64
+  117.3 12506 18
+  129.2 12734 18
+  167.2 8088 12
+  191.1 99696 144
+  196.2 41892 60
+  197.2 27082 39
+  203.2 7527 11
+  205.2 17975 26
+  216.2 16406 24
+  217.2 18077 26
+  231.2 12267 18
+  245.3 8781 13
+  288.2 692399 999
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ03027.txt b/MSSJ/MSBNK-MSSJ-MSJ03027.txt
new file mode 100644
index 00000000000..e09676c1ee8
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ03027.txt
@@ -0,0 +1,88 @@
+ACCESSION: MSBNK-MSSJ-MSJ03027
+RECORD_TITLE: Cyproheptadine; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 30 V; [M+H]+
+DATE: 2023.04.05
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230406-1.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Cyproheptadine
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C21H21N
+CH$EXACT_MASS: 287.167395
+CH$SMILES: CN1CCC(=C2C3=CC=CC=C3C=CC4=CC=CC=C42)CC1
+CH$IUPAC: InChI=1S/C21H21N/c1-22-14-12-18(13-15-22)21-19-8-4-2-6-16(19)10-11-17-7-3-5-9-20(17)21/h2-11H,12-15H2,1H3
+CH$LINK: CAS 129-03-3
+CH$LINK: CHEMSPIDER 2810
+CH$LINK: INCHIKEY JJCFRYNCJDLXIK-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:2913
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.411 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 288.174672
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-0005-9430000000-8c40038fc76fef67c416
+PK$NUM_PEAK: 51
+PK$PEAK: m/z int. rel.int.
+  41.4 3215 13
+  42.3 18460 74
+  44.3 37304 149
+  55.4 4641 19
+  58.3 109538 438
+  65.3 2894 12
+  67.3 21885 88
+  68.2 8341 33
+  70.3 59582 238
+  79.2 5650 23
+  80.2 4558 18
+  81.2 11836 47
+  82.2 70676 283
+  84.2 3733 15
+  91.3 18385 74
+  94.2 32834 131
+  95.2 3444 14
+  96.2 249823 999
+  97.3 64972 260
+  108.2 4634 19
+  110.3 27634 111
+  115.2 22776 91
+  117.2 21315 85
+  128.1 5310 21
+  129.2 29771 119
+  141.2 7731 31
+  152.1 3031 12
+  153.1 8980 36
+  154.2 4544 18
+  165.1 2555 10
+  167.1 11788 47
+  178.1 9741 39
+  179.2 7352 29
+  182.2 4854 19
+  191.2 164767 659
+  196.2 38472 154
+  197.2 11002 44
+  202.1 24587 98
+  203.1 19759 79
+  204.2 20216 81
+  205.1 19956 80
+  215.2 30589 122
+  216.2 20047 80
+  217.1 42645 171
+  228.3 6928 28
+  229.2 9867 39
+  230.2 12886 52
+  231.2 7193 29
+  241.1 5108 20
+  245.1 8753 35
+  288.2 35683 143
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ03028.txt b/MSSJ/MSBNK-MSSJ-MSJ03028.txt
new file mode 100644
index 00000000000..69d14105d25
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ03028.txt
@@ -0,0 +1,99 @@
+ACCESSION: MSBNK-MSSJ-MSJ03028
+RECORD_TITLE: Cyproheptadine; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 40 V; [M+H]+
+DATE: 2023.04.05
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230406-1.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Cyproheptadine
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C21H21N
+CH$EXACT_MASS: 287.167395
+CH$SMILES: CN1CCC(=C2C3=CC=CC=C3C=CC4=CC=CC=C42)CC1
+CH$IUPAC: InChI=1S/C21H21N/c1-22-14-12-18(13-15-22)21-19-8-4-2-6-16(19)10-11-17-7-3-5-9-20(17)21/h2-11H,12-15H2,1H3
+CH$LINK: CAS 129-03-3
+CH$LINK: CHEMSPIDER 2810
+CH$LINK: INCHIKEY JJCFRYNCJDLXIK-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:2913
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.411 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 288.174672
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-0frw-9640000000-9fed7576ffe187518717
+PK$NUM_PEAK: 62
+PK$PEAK: m/z int. rel.int.
+  41.3 9339 64
+  42.3 18991 130
+  44.3 29003 199
+  55.3 6053 42
+  58.3 42794 294
+  65.4 3270 22
+  67.2 31040 213
+  68.3 19053 131
+  69.3 3030 21
+  70.3 33616 231
+  77.2 2838 19
+  79.3 7917 54
+  80.2 7290 50
+  81.2 12020 83
+  82.3 93768 644
+  88.3 1834 13
+  91.2 26995 185
+  94.3 19984 137
+  95.3 5272 36
+  96.3 145531 999
+  97.2 17188 118
+  103.2 1805 12
+  105.1 3190 22
+  108.3 2032 14
+  110.2 9519 65
+  115.1 31373 215
+  117.3 24671 169
+  127.1 5231 36
+  128.2 13920 96
+  129.2 15622 107
+  141.2 8487 58
+  152.1 7424 51
+  153.1 12568 86
+  154.2 3400 23
+  165.1 16377 112
+  166.2 1922 13
+  167.0 5304 36
+  168.0 1850 13
+  176.0 1854 13
+  178.1 16356 112
+  179.2 8668 60
+  189.2 15477 106
+  190.2 14672 101
+  191.1 139262 956
+  193.1 3256 22
+  196.3 13088 90
+  202.1 51356 353
+  203.1 30596 210
+  204.1 12186 84
+  205.1 4880 33
+  215.2 79175 543
+  216.2 15428 106
+  217.1 11970 82
+  227.1 4612 32
+  228.1 10650 73
+  229.1 11865 81
+  230.3 3764 26
+  239.1 1862 13
+  241.1 4513 31
+  243.0 2025 14
+  258.1 4029 28
+  288.1 4179 29
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ03029.txt b/MSSJ/MSBNK-MSSJ-MSJ03029.txt
new file mode 100644
index 00000000000..5c2bd151994
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ03029.txt
@@ -0,0 +1,106 @@
+ACCESSION: MSBNK-MSSJ-MSJ03029
+RECORD_TITLE: Cyproheptadine; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 50 V; [M+H]+
+DATE: 2023.04.05
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230406-1.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Cyproheptadine
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C21H21N
+CH$EXACT_MASS: 287.167395
+CH$SMILES: CN1CCC(=C2C3=CC=CC=C3C=CC4=CC=CC=C42)CC1
+CH$IUPAC: InChI=1S/C21H21N/c1-22-14-12-18(13-15-22)21-19-8-4-2-6-16(19)10-11-17-7-3-5-9-20(17)21/h2-11H,12-15H2,1H3
+CH$LINK: CAS 129-03-3
+CH$LINK: CHEMSPIDER 2810
+CH$LINK: INCHIKEY JJCFRYNCJDLXIK-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:2913
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.411 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 288.174672
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-014i-9650000000-af28bf2fd8d70f9fb014
+PK$NUM_PEAK: 69
+PK$PEAK: m/z int. rel.int.
+  30.3 1448 15
+  39.3 6418 68
+  40.3 1233 13
+  41.4 11629 123
+  42.3 25575 271
+  43.3 1596 17
+  44.3 24662 261
+  53.2 1206 13
+  54.3 2489 26
+  55.3 6468 69
+  56.4 1817 19
+  58.3 28296 300
+  65.2 5172 55
+  67.2 34431 365
+  68.3 4572 48
+  69.2 2895 31
+  70.3 12833 136
+  71.4 1235 13
+  77.2 5241 56
+  78.3 1179 12
+  79.3 5811 62
+  80.2 10406 110
+  81.2 21203 225
+  82.3 61063 647
+  84.2 1124 12
+  91.2 36373 385
+  94.2 14472 153
+  96.2 62810 665
+  97.2 5884 62
+  102.4 1235 13
+  110.1 3220 34
+  114.3 1091 12
+  115.2 31557 334
+  117.2 7517 80
+  127.1 5319 56
+  128.2 24975 265
+  129.2 4728 50
+  141.2 12351 131
+  144.3 1235 13
+  152.1 17480 185
+  153.2 9473 100
+  164.0 1589 17
+  165.1 44817 475
+  166.9 2470 26
+  176.1 1463 15
+  178.1 21792 231
+  179.2 3207 34
+  189.1 42907 454
+  190.1 19131 203
+  191.2 45615 483
+  194.4 1769 19
+  196.2 1605 17
+  202.1 77143 817
+  203.1 26823 284
+  204.2 8310 88
+  213.1 2160 23
+  215.1 94325 999
+  216.1 5982 63
+  217.0 1234 13
+  226.0 2976 32
+  227.0 2019 21
+  228.1 10781 114
+  229.2 7609 81
+  239.1 6081 64
+  240.3 3340 35
+  241.1 5334 56
+  243.4 1633 17
+  287.4 1230 13
+  288.1 1289 14
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ03030.txt b/MSSJ/MSBNK-MSSJ-MSJ03030.txt
new file mode 100644
index 00000000000..6d2ad89b9f7
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ03030.txt
@@ -0,0 +1,37 @@
+ACCESSION: MSBNK-MSSJ-MSJ03030
+RECORD_TITLE: Spiperone; LC-ESI-QQ; MS; ESI; POSITIVE
+DATE: 2023.04.05
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230406-1.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Spiperone
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C23H26FN3O2
+CH$EXACT_MASS: 395.200893
+CH$SMILES: C1CN(CCC12C(=O)NCN2C3=CC=CC=C3)CCCC(=O)C4=CC=C(C=C4)F
+CH$IUPAC: InChI=1S/C23H26FN3O2/c24-19-10-8-18(9-11-19)21(28)7-4-14-26-15-12-23(13-16-26)22(29)25-17-27(23)20-5-2-1-3-6-20/h1-3,5-6,8-11H,4,7,12-17H2,(H,25,29)
+CH$LINK: CAS 749-02-0
+CH$LINK: CHEMSPIDER 5075
+CH$LINK: INCHIKEY DKGZKTPJOSAWFA-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:5265
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.173 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+PK$SPLASH: splash10-0002-0009000000-a1e2c34c84543d247e2a
+PK$NUM_PEAK: 4
+PK$PEAK: m/z int. rel.int.
+  309.3 23039 10
+  396.3 2204819 999
+  397.3 508843 231
+  398.3 62520 28
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ03031.txt b/MSSJ/MSBNK-MSSJ-MSJ03031.txt
new file mode 100644
index 00000000000..38df250002f
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ03031.txt
@@ -0,0 +1,40 @@
+ACCESSION: MSBNK-MSSJ-MSJ03031
+RECORD_TITLE: Spiperone; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 10 V; [M+H]+
+DATE: 2023.04.05
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230406-1.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Spiperone
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C23H26FN3O2
+CH$EXACT_MASS: 395.200893
+CH$SMILES: C1CN(CCC12C(=O)NCN2C3=CC=CC=C3)CCCC(=O)C4=CC=C(C=C4)F
+CH$IUPAC: InChI=1S/C23H26FN3O2/c24-19-10-8-18(9-11-19)21(28)7-4-14-26-15-12-23(13-16-26)22(29)25-17-27(23)20-5-2-1-3-6-20/h1-3,5-6,8-11H,4,7,12-17H2,(H,25,29)
+CH$LINK: CAS 749-02-0
+CH$LINK: CHEMSPIDER 5075
+CH$LINK: INCHIKEY DKGZKTPJOSAWFA-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:5265
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.173 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 396.20817
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-0002-0009000000-133d2e6c8c1f187132f6
+PK$NUM_PEAK: 3
+PK$PEAK: m/z int. rel.int.
+  165.1 18440 16
+  291.2 14101 12
+  396.3 1186072 999
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ03032.txt b/MSSJ/MSBNK-MSSJ-MSJ03032.txt
new file mode 100644
index 00000000000..94862793239
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ03032.txt
@@ -0,0 +1,47 @@
+ACCESSION: MSBNK-MSSJ-MSJ03032
+RECORD_TITLE: Spiperone; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 20 V; [M+H]+
+DATE: 2023.04.05
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230406-1.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Spiperone
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C23H26FN3O2
+CH$EXACT_MASS: 395.200893
+CH$SMILES: C1CN(CCC12C(=O)NCN2C3=CC=CC=C3)CCCC(=O)C4=CC=C(C=C4)F
+CH$IUPAC: InChI=1S/C23H26FN3O2/c24-19-10-8-18(9-11-19)21(28)7-4-14-26-15-12-23(13-16-26)22(29)25-17-27(23)20-5-2-1-3-6-20/h1-3,5-6,8-11H,4,7,12-17H2,(H,25,29)
+CH$LINK: CAS 749-02-0
+CH$LINK: CHEMSPIDER 5075
+CH$LINK: INCHIKEY DKGZKTPJOSAWFA-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:5265
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.173 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 396.20817
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-00kb-1629000000-7e94b7304aa06360af7a
+PK$NUM_PEAK: 10
+PK$PEAK: m/z int. rel.int.
+  98.3 43950 113
+  106.2 3954 10
+  123.2 22838 59
+  127.2 6791 18
+  165.2 255453 659
+  222.2 5302 14
+  232.2 9786 25
+  262.2 22368 58
+  291.3 86679 223
+  396.3 387479 999
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ03033.txt b/MSSJ/MSBNK-MSSJ-MSJ03033.txt
new file mode 100644
index 00000000000..85ab7b3896e
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ03033.txt
@@ -0,0 +1,45 @@
+ACCESSION: MSBNK-MSSJ-MSJ03033
+RECORD_TITLE: Spiperone; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 30 V; [M+H]+
+DATE: 2023.04.05
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230406-1.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Spiperone
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C23H26FN3O2
+CH$EXACT_MASS: 395.200893
+CH$SMILES: C1CN(CCC12C(=O)NCN2C3=CC=CC=C3)CCCC(=O)C4=CC=C(C=C4)F
+CH$IUPAC: InChI=1S/C23H26FN3O2/c24-19-10-8-18(9-11-19)21(28)7-4-14-26-15-12-23(13-16-26)22(29)25-17-27(23)20-5-2-1-3-6-20/h1-3,5-6,8-11H,4,7,12-17H2,(H,25,29)
+CH$LINK: CAS 749-02-0
+CH$LINK: CHEMSPIDER 5075
+CH$LINK: INCHIKEY DKGZKTPJOSAWFA-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:5265
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.173 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 396.20817
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-014i-2900000000-3e64fcff540abde31fb1
+PK$NUM_PEAK: 8
+PK$PEAK: m/z int. rel.int.
+  98.3 169298 369
+  106.2 20240 44
+  123.2 159850 348
+  127.2 6533 14
+  165.1 458299 999
+  262.2 17029 37
+  291.2 14973 33
+  396.3 7140 16
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ03034.txt b/MSSJ/MSBNK-MSSJ-MSJ03034.txt
new file mode 100644
index 00000000000..584644d3942
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ03034.txt
@@ -0,0 +1,43 @@
+ACCESSION: MSBNK-MSSJ-MSJ03034
+RECORD_TITLE: Spiperone; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 40 V; [M+H]+
+DATE: 2023.04.05
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230406-1.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Spiperone
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C23H26FN3O2
+CH$EXACT_MASS: 395.200893
+CH$SMILES: C1CN(CCC12C(=O)NCN2C3=CC=CC=C3)CCCC(=O)C4=CC=C(C=C4)F
+CH$IUPAC: InChI=1S/C23H26FN3O2/c24-19-10-8-18(9-11-19)21(28)7-4-14-26-15-12-23(13-16-26)22(29)25-17-27(23)20-5-2-1-3-6-20/h1-3,5-6,8-11H,4,7,12-17H2,(H,25,29)
+CH$LINK: CAS 749-02-0
+CH$LINK: CHEMSPIDER 5075
+CH$LINK: INCHIKEY DKGZKTPJOSAWFA-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:5265
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.173 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 396.20817
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-00xr-2900000000-6566aa49bc8273ba8e40
+PK$NUM_PEAK: 6
+PK$PEAK: m/z int. rel.int.
+  55.3 11609 38
+  95.2 16722 55
+  98.3 132987 438
+  106.2 15503 51
+  123.2 303170 999
+  165.2 181884 599
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ03035.txt b/MSSJ/MSBNK-MSSJ-MSJ03035.txt
new file mode 100644
index 00000000000..b0110dbd436
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ03035.txt
@@ -0,0 +1,45 @@
+ACCESSION: MSBNK-MSSJ-MSJ03035
+RECORD_TITLE: Spiperone; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 50 V; [M+H]+
+DATE: 2023.04.05
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230406-1.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Spiperone
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C23H26FN3O2
+CH$EXACT_MASS: 395.200893
+CH$SMILES: C1CN(CCC12C(=O)NCN2C3=CC=CC=C3)CCCC(=O)C4=CC=C(C=C4)F
+CH$IUPAC: InChI=1S/C23H26FN3O2/c24-19-10-8-18(9-11-19)21(28)7-4-14-26-15-12-23(13-16-26)22(29)25-17-27(23)20-5-2-1-3-6-20/h1-3,5-6,8-11H,4,7,12-17H2,(H,25,29)
+CH$LINK: CAS 749-02-0
+CH$LINK: CHEMSPIDER 5075
+CH$LINK: INCHIKEY DKGZKTPJOSAWFA-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:5265
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.173 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 396.20817
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-00di-3900000000-309ff5bdb3221b65d7d1
+PK$NUM_PEAK: 8
+PK$PEAK: m/z int. rel.int.
+  44.3 8344 24
+  55.3 29423 85
+  70.2 8095 23
+  95.2 54759 158
+  98.2 63969 185
+  106.2 10762 31
+  123.1 345456 999
+  165.1 38946 113
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ03036.txt b/MSSJ/MSBNK-MSSJ-MSJ03036.txt
new file mode 100644
index 00000000000..84392a91ff6
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ03036.txt
@@ -0,0 +1,41 @@
+ACCESSION: MSBNK-MSSJ-MSJ03036
+RECORD_TITLE: Spiperone; LC-ESI-QQ; MS; ESI; NEGATIVE
+DATE: 2023.04.05
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230406-1.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Spiperone
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C23H26FN3O2
+CH$EXACT_MASS: 395.200893
+CH$SMILES: C1CN(CCC12C(=O)NCN2C3=CC=CC=C3)CCCC(=O)C4=CC=C(C=C4)F
+CH$IUPAC: InChI=1S/C23H26FN3O2/c24-19-10-8-18(9-11-19)21(28)7-4-14-26-15-12-23(13-16-26)22(29)25-17-27(23)20-5-2-1-3-6-20/h1-3,5-6,8-11H,4,7,12-17H2,(H,25,29)
+CH$LINK: CAS 749-02-0
+CH$LINK: CHEMSPIDER 5075
+CH$LINK: INCHIKEY DKGZKTPJOSAWFA-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:5265
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.173 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+PK$SPLASH: splash10-0006-0009000000-04d3b3ee2d00eddeaf54
+PK$NUM_PEAK: 8
+PK$PEAK: m/z int. rel.int.
+  241.9 30285 12
+  394.2 2560639 999
+  395.2 722707 282
+  396.2 128185 50
+  440.3 164331 64
+  441.2 65550 26
+  462.3 41703 16
+  478.1 26037 10
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ03037.txt b/MSSJ/MSBNK-MSSJ-MSJ03037.txt
new file mode 100644
index 00000000000..9c4c126d387
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ03037.txt
@@ -0,0 +1,40 @@
+ACCESSION: MSBNK-MSSJ-MSJ03037
+RECORD_TITLE: Spiperone; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 10 V; [M-H]-
+DATE: 2023.04.05
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230406-1.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Spiperone
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C23H26FN3O2
+CH$EXACT_MASS: 395.200893
+CH$SMILES: C1CN(CCC12C(=O)NCN2C3=CC=CC=C3)CCCC(=O)C4=CC=C(C=C4)F
+CH$IUPAC: InChI=1S/C23H26FN3O2/c24-19-10-8-18(9-11-19)21(28)7-4-14-26-15-12-23(13-16-26)22(29)25-17-27(23)20-5-2-1-3-6-20/h1-3,5-6,8-11H,4,7,12-17H2,(H,25,29)
+CH$LINK: CAS 749-02-0
+CH$LINK: CHEMSPIDER 5075
+CH$LINK: INCHIKEY DKGZKTPJOSAWFA-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:5265
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.173 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 394.193616
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+PK$SPLASH: splash10-0006-0009000000-6f2730adc0f45f4d3f58
+PK$NUM_PEAK: 3
+PK$PEAK: m/z int. rel.int.
+  180.1 6681 11
+  218.1 6808 11
+  394.2 620287 999
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ03038.txt b/MSSJ/MSBNK-MSSJ-MSJ03038.txt
new file mode 100644
index 00000000000..c69b9e0f1f9
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ03038.txt
@@ -0,0 +1,49 @@
+ACCESSION: MSBNK-MSSJ-MSJ03038
+RECORD_TITLE: Spiperone; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 20 V; [M-H]-
+DATE: 2023.04.05
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230406-1.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Spiperone
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C23H26FN3O2
+CH$EXACT_MASS: 395.200893
+CH$SMILES: C1CN(CCC12C(=O)NCN2C3=CC=CC=C3)CCCC(=O)C4=CC=C(C=C4)F
+CH$IUPAC: InChI=1S/C23H26FN3O2/c24-19-10-8-18(9-11-19)21(28)7-4-14-26-15-12-23(13-16-26)22(29)25-17-27(23)20-5-2-1-3-6-20/h1-3,5-6,8-11H,4,7,12-17H2,(H,25,29)
+CH$LINK: CAS 749-02-0
+CH$LINK: CHEMSPIDER 5075
+CH$LINK: INCHIKEY DKGZKTPJOSAWFA-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:5265
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.173 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 394.193616
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+PK$SPLASH: splash10-0006-0239000000-d0cecc3c374afe0e31cc
+PK$NUM_PEAK: 12
+PK$PEAK: m/z int. rel.int.
+  42.1 3757 17
+  92.2 2577 12
+  144.0 11788 54
+  173.0 3496 16
+  180.0 40627 185
+  191.9 5672 26
+  201.0 3590 16
+  204.1 3661 17
+  218.1 30327 138
+  230.1 42633 194
+  281.1 2631 12
+  394.2 219478 999
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ03039.txt b/MSSJ/MSBNK-MSSJ-MSJ03039.txt
new file mode 100644
index 00000000000..a2aee24005d
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ03039.txt
@@ -0,0 +1,65 @@
+ACCESSION: MSBNK-MSSJ-MSJ03039
+RECORD_TITLE: Spiperone; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 30 V; [M-H]-
+DATE: 2023.04.05
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230406-1.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Spiperone
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C23H26FN3O2
+CH$EXACT_MASS: 395.200893
+CH$SMILES: C1CN(CCC12C(=O)NCN2C3=CC=CC=C3)CCCC(=O)C4=CC=C(C=C4)F
+CH$IUPAC: InChI=1S/C23H26FN3O2/c24-19-10-8-18(9-11-19)21(28)7-4-14-26-15-12-23(13-16-26)22(29)25-17-27(23)20-5-2-1-3-6-20/h1-3,5-6,8-11H,4,7,12-17H2,(H,25,29)
+CH$LINK: CAS 749-02-0
+CH$LINK: CHEMSPIDER 5075
+CH$LINK: INCHIKEY DKGZKTPJOSAWFA-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:5265
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.173 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 394.193616
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+PK$SPLASH: splash10-001i-1940000000-98270f7f33d9614a07dc
+PK$NUM_PEAK: 28
+PK$PEAK: m/z int. rel.int.
+  28.4 952 13
+  42.1 5226 69
+  56.1 4903 65
+  84.1 7623 101
+  92.2 5668 75
+  93.8 1416 19
+  95.1 7526 100
+  96.1 953 13
+  107.1 1988 26
+  115.9 2721 36
+  142.3 1297 17
+  144.0 55551 735
+  148.2 951 13
+  150.9 3126 41
+  163.1 5386 71
+  164.0 2319 31
+  171.0 3668 49
+  173.0 10358 137
+  177.1 2307 31
+  180.0 75504 999
+  183.5 1330 18
+  190.1 2164 29
+  192.0 7857 104
+  204.1 2330 31
+  217.9 11052 146
+  230.0 73562 973
+  271.1 3603 48
+  394.2 10282 136
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ03040.txt b/MSSJ/MSBNK-MSSJ-MSJ03040.txt
new file mode 100644
index 00000000000..031ba19a367
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ03040.txt
@@ -0,0 +1,74 @@
+ACCESSION: MSBNK-MSSJ-MSJ03040
+RECORD_TITLE: Spiperone; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 40 V; [M-H]-
+DATE: 2023.04.05
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230406-1.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Spiperone
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C23H26FN3O2
+CH$EXACT_MASS: 395.200893
+CH$SMILES: C1CN(CCC12C(=O)NCN2C3=CC=CC=C3)CCCC(=O)C4=CC=C(C=C4)F
+CH$IUPAC: InChI=1S/C23H26FN3O2/c24-19-10-8-18(9-11-19)21(28)7-4-14-26-15-12-23(13-16-26)22(29)25-17-27(23)20-5-2-1-3-6-20/h1-3,5-6,8-11H,4,7,12-17H2,(H,25,29)
+CH$LINK: CAS 749-02-0
+CH$LINK: CHEMSPIDER 5075
+CH$LINK: INCHIKEY DKGZKTPJOSAWFA-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:5265
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.173 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 394.193616
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+PK$SPLASH: splash10-000x-3910000000-6a7c50a6f80115a8fa5b
+PK$NUM_PEAK: 37
+PK$PEAK: m/z int. rel.int.
+  17.5 664 11
+  28.2 1415 24
+  42.2 4415 75
+  55.0 664 11
+  56.1 3925 67
+  80.3 894 15
+  84.1 10990 186
+  92.0 5194 88
+  93.0 664 11
+  95.0 19426 330
+  96.3 634 11
+  106.9 1878 32
+  116.0 7574 128
+  119.2 664 11
+  127.8 1330 23
+  129.0 1910 32
+  131.8 664 11
+  137.0 3547 60
+  141.9 6924 117
+  144.0 58888 999
+  147.6 664 11
+  160.0 664 11
+  161.1 1094 19
+  161.7 991 17
+  162.9 2535 43
+  163.9 966 16
+  171.1 3943 67
+  173.1 15195 258
+  174.0 664 11
+  174.9 952 16
+  180.0 25029 425
+  188.1 664 11
+  192.1 2423 41
+  217.9 1330 23
+  230.1 21948 372
+  316.7 664 11
+  394.0 1330 23
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ03041.txt b/MSSJ/MSBNK-MSSJ-MSJ03041.txt
new file mode 100644
index 00000000000..c83421e0522
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ03041.txt
@@ -0,0 +1,70 @@
+ACCESSION: MSBNK-MSSJ-MSJ03041
+RECORD_TITLE: Spiperone; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 50 V; [M-H]-
+DATE: 2023.04.05
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230406-1.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Spiperone
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C23H26FN3O2
+CH$EXACT_MASS: 395.200893
+CH$SMILES: C1CN(CCC12C(=O)NCN2C3=CC=CC=C3)CCCC(=O)C4=CC=C(C=C4)F
+CH$IUPAC: InChI=1S/C23H26FN3O2/c24-19-10-8-18(9-11-19)21(28)7-4-14-26-15-12-23(13-16-26)22(29)25-17-27(23)20-5-2-1-3-6-20/h1-3,5-6,8-11H,4,7,12-17H2,(H,25,29)
+CH$LINK: CAS 749-02-0
+CH$LINK: CHEMSPIDER 5075
+CH$LINK: INCHIKEY DKGZKTPJOSAWFA-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:5265
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.173 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 394.193616
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+PK$SPLASH: splash10-0006-4900000000-4aae8f8ce0284f20f674
+PK$NUM_PEAK: 33
+PK$PEAK: m/z int. rel.int.
+  26.3 1935 63
+  28.2 1290 42
+  42.3 894 29
+  56.0 2792 91
+  65.9 664 22
+  84.2 8504 277
+  92.1 7305 238
+  95.0 15272 498
+  96.1 332 11
+  101.0 634 21
+  102.8 332 11
+  107.1 664 22
+  116.0 9388 306
+  121.1 1240 40
+  127.5 332 11
+  129.1 1673 55
+  132.0 806 26
+  137.1 1776 58
+  142.0 7293 238
+  144.0 30642 999
+  149.1 1611 53
+  150.9 1182 39
+  156.9 332 11
+  159.9 332 11
+  160.8 664 22
+  163.0 5288 172
+  163.9 632 21
+  167.0 332 11
+  168.7 332 11
+  173.0 2503 82
+  180.0 4636 151
+  201.1 664 22
+  230.0 2725 89
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ03042.txt b/MSSJ/MSBNK-MSSJ-MSJ03042.txt
new file mode 100644
index 00000000000..2d30066d28f
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ03042.txt
@@ -0,0 +1,42 @@
+ACCESSION: MSBNK-MSSJ-MSJ03042
+RECORD_TITLE: Sulindac; LC-ESI-QQ; MS; ESI; POSITIVE
+DATE: 2023.04.05
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230406-1.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Sulindac
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C20H17FO3S
+CH$EXACT_MASS: 356.088244
+CH$SMILES: CC\1=C(C2=C(/C1=C\C3=CC=C(C=C3)S(=O)C)C=CC(=C2)F)CC(=O)O
+CH$IUPAC: InChI=1S/C20H17FO3S/c1-12-17(9-13-3-6-15(7-4-13)25(2)24)16-8-5-14(21)10-19(16)18(12)11-20(22)23/h3-10H,11H2,1-2H3,(H,22,23)/b17-9-
+CH$LINK: CAS 38194-50-2
+CH$LINK: CHEMSPIDER 1265915
+CH$LINK: INCHIKEY MLKXDPUZXIRXEP-MFOYZWKCSA-N
+CH$LINK: PUBCHEM CID:1548887
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.915 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+PK$SPLASH: splash10-0a4i-0009000000-66e77240267c120862c8
+PK$NUM_PEAK: 9
+PK$PEAK: m/z int. rel.int.
+  122.2 11426 12
+  123.2 12549 13
+  357.2 931849 999
+  358.2 203875 219
+  359.3 65346 70
+  360.2 14530 16
+  379.2 48721 52
+  395.2 10777 12
+  417.2 21681 23
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ03043.txt b/MSSJ/MSBNK-MSSJ-MSJ03043.txt
new file mode 100644
index 00000000000..9222e386e17
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ03043.txt
@@ -0,0 +1,39 @@
+ACCESSION: MSBNK-MSSJ-MSJ03043
+RECORD_TITLE: Sulindac; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 10 V; [M+H]+
+DATE: 2023.04.05
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230406-1.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Sulindac
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C20H17FO3S
+CH$EXACT_MASS: 356.088244
+CH$SMILES: CC\1=C(C2=C(/C1=C\C3=CC=C(C=C3)S(=O)C)C=CC(=C2)F)CC(=O)O
+CH$IUPAC: InChI=1S/C20H17FO3S/c1-12-17(9-13-3-6-15(7-4-13)25(2)24)16-8-5-14(21)10-19(16)18(12)11-20(22)23/h3-10H,11H2,1-2H3,(H,22,23)/b17-9-
+CH$LINK: CAS 38194-50-2
+CH$LINK: CHEMSPIDER 1265915
+CH$LINK: INCHIKEY MLKXDPUZXIRXEP-MFOYZWKCSA-N
+CH$LINK: PUBCHEM CID:1548887
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.915 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 357.095521
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-0a4i-0009000000-fa20c788fc1edaafc0ca
+PK$NUM_PEAK: 2
+PK$PEAK: m/z int. rel.int.
+  340.3 15628 34
+  357.2 462657 999
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ03044.txt b/MSSJ/MSBNK-MSSJ-MSJ03044.txt
new file mode 100644
index 00000000000..a28e24a7cc3
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ03044.txt
@@ -0,0 +1,56 @@
+ACCESSION: MSBNK-MSSJ-MSJ03044
+RECORD_TITLE: Sulindac; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 20 V; [M+H]+
+DATE: 2023.04.05
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230406-1.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Sulindac
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C20H17FO3S
+CH$EXACT_MASS: 356.088244
+CH$SMILES: CC\1=C(C2=C(/C1=C\C3=CC=C(C=C3)S(=O)C)C=CC(=C2)F)CC(=O)O
+CH$IUPAC: InChI=1S/C20H17FO3S/c1-12-17(9-13-3-6-15(7-4-13)25(2)24)16-8-5-14(21)10-19(16)18(12)11-20(22)23/h3-10H,11H2,1-2H3,(H,22,23)/b17-9-
+CH$LINK: CAS 38194-50-2
+CH$LINK: CHEMSPIDER 1265915
+CH$LINK: INCHIKEY MLKXDPUZXIRXEP-MFOYZWKCSA-N
+CH$LINK: PUBCHEM CID:1548887
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.915 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 357.095521
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-052f-0049000000-c60d009a85a928f69277
+PK$NUM_PEAK: 19
+PK$PEAK: m/z int. rel.int.
+  173.1 2955 22
+  191.1 1971 15
+  233.2 54444 403
+  234.2 6007 44
+  235.2 4532 34
+  247.2 8516 63
+  248.2 15927 118
+  249.2 1510 11
+  280.3 9016 67
+  282.1 2791 21
+  294.1 7530 56
+  295.1 9910 73
+  296.2 7409 55
+  297.2 13775 102
+  311.2 5208 39
+  338.9 2564 19
+  340.2 122792 908
+  342.2 31322 232
+  357.2 135028 999
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ03045.txt b/MSSJ/MSBNK-MSSJ-MSJ03045.txt
new file mode 100644
index 00000000000..00b7f55d265
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ03045.txt
@@ -0,0 +1,64 @@
+ACCESSION: MSBNK-MSSJ-MSJ03045
+RECORD_TITLE: Sulindac; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 30 V; [M+H]+
+DATE: 2023.04.05
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230406-1.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Sulindac
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C20H17FO3S
+CH$EXACT_MASS: 356.088244
+CH$SMILES: CC\1=C(C2=C(/C1=C\C3=CC=C(C=C3)S(=O)C)C=CC(=C2)F)CC(=O)O
+CH$IUPAC: InChI=1S/C20H17FO3S/c1-12-17(9-13-3-6-15(7-4-13)25(2)24)16-8-5-14(21)10-19(16)18(12)11-20(22)23/h3-10H,11H2,1-2H3,(H,22,23)/b17-9-
+CH$LINK: CAS 38194-50-2
+CH$LINK: CHEMSPIDER 1265915
+CH$LINK: INCHIKEY MLKXDPUZXIRXEP-MFOYZWKCSA-N
+CH$LINK: PUBCHEM CID:1548887
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.915 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 357.095521
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-001j-0091000000-9804a219f5cd378aee88
+PK$NUM_PEAK: 27
+PK$PEAK: m/z int. rel.int.
+  135.2 3024 18
+  161.2 3944 23
+  172.1 1765 10
+  173.2 4733 28
+  233.1 170531 999
+  234.2 18916 111
+  235.2 3741 22
+  246.2 1800 11
+  247.2 26516 155
+  248.2 67888 398
+  253.3 1880 11
+  262.0 2311 14
+  265.0 4201 25
+  275.3 1968 12
+  279.2 2001 12
+  280.1 12206 72
+  281.2 3784 22
+  282.2 2396 14
+  283.2 3163 19
+  293.1 1880 11
+  295.2 24464 143
+  296.2 5271 31
+  297.1 7781 46
+  313.3 2692 16
+  340.2 26171 153
+  342.1 8373 49
+  357.2 3812 22
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ03046.txt b/MSSJ/MSBNK-MSSJ-MSJ03046.txt
new file mode 100644
index 00000000000..b511681b53c
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ03046.txt
@@ -0,0 +1,50 @@
+ACCESSION: MSBNK-MSSJ-MSJ03046
+RECORD_TITLE: Sulindac; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 40 V; [M+H]+
+DATE: 2023.04.05
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230406-1.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Sulindac
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C20H17FO3S
+CH$EXACT_MASS: 356.088244
+CH$SMILES: CC\1=C(C2=C(/C1=C\C3=CC=C(C=C3)S(=O)C)C=CC(=C2)F)CC(=O)O
+CH$IUPAC: InChI=1S/C20H17FO3S/c1-12-17(9-13-3-6-15(7-4-13)25(2)24)16-8-5-14(21)10-19(16)18(12)11-20(22)23/h3-10H,11H2,1-2H3,(H,22,23)/b17-9-
+CH$LINK: CAS 38194-50-2
+CH$LINK: CHEMSPIDER 1265915
+CH$LINK: INCHIKEY MLKXDPUZXIRXEP-MFOYZWKCSA-N
+CH$LINK: PUBCHEM CID:1548887
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.915 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 357.095521
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-001i-0090000000-3c7b1b521ae49b91406a
+PK$NUM_PEAK: 13
+PK$PEAK: m/z int. rel.int.
+  173.1 9291 42
+  233.1 222541 999
+  234.1 17990 81
+  235.0 2590 12
+  246.1 12245 55
+  247.2 21817 98
+  248.1 41671 187
+  253.1 2631 12
+  265.2 3982 18
+  279.1 2672 12
+  280.2 4719 21
+  295.2 5534 25
+  297.2 3940 18
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ03047.txt b/MSSJ/MSBNK-MSSJ-MSJ03047.txt
new file mode 100644
index 00000000000..cdc22662b41
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ03047.txt
@@ -0,0 +1,46 @@
+ACCESSION: MSBNK-MSSJ-MSJ03047
+RECORD_TITLE: Sulindac; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 50 V; [M+H]+
+DATE: 2023.04.05
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230406-1.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Sulindac
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C20H17FO3S
+CH$EXACT_MASS: 356.088244
+CH$SMILES: CC\1=C(C2=C(/C1=C\C3=CC=C(C=C3)S(=O)C)C=CC(=C2)F)CC(=O)O
+CH$IUPAC: InChI=1S/C20H17FO3S/c1-12-17(9-13-3-6-15(7-4-13)25(2)24)16-8-5-14(21)10-19(16)18(12)11-20(22)23/h3-10H,11H2,1-2H3,(H,22,23)/b17-9-
+CH$LINK: CAS 38194-50-2
+CH$LINK: CHEMSPIDER 1265915
+CH$LINK: INCHIKEY MLKXDPUZXIRXEP-MFOYZWKCSA-N
+CH$LINK: PUBCHEM CID:1548887
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.915 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 357.095521
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-001i-0090000000-ac98b5619eafac9e9628
+PK$NUM_PEAK: 9
+PK$PEAK: m/z int. rel.int.
+  173.1 3816 16
+  220.0 3106 13
+  233.1 233218 999
+  234.1 12319 53
+  246.2 11782 50
+  247.2 18512 79
+  248.1 18038 77
+  265.0 5744 25
+  295.1 4079 17
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ03048.txt b/MSSJ/MSBNK-MSSJ-MSJ03048.txt
new file mode 100644
index 00000000000..d27c4f27aff
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ03048.txt
@@ -0,0 +1,46 @@
+ACCESSION: MSBNK-MSSJ-MSJ03048
+RECORD_TITLE: Sulindac; LC-ESI-QQ; MS; ESI; NEGATIVE
+DATE: 2023.04.05
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230406-1.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Sulindac
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C20H17FO3S
+CH$EXACT_MASS: 356.088244
+CH$SMILES: CC\1=C(C2=C(/C1=C\C3=CC=C(C=C3)S(=O)C)C=CC(=C2)F)CC(=O)O
+CH$IUPAC: InChI=1S/C20H17FO3S/c1-12-17(9-13-3-6-15(7-4-13)25(2)24)16-8-5-14(21)10-19(16)18(12)11-20(22)23/h3-10H,11H2,1-2H3,(H,22,23)/b17-9-
+CH$LINK: CAS 38194-50-2
+CH$LINK: CHEMSPIDER 1265915
+CH$LINK: INCHIKEY MLKXDPUZXIRXEP-MFOYZWKCSA-N
+CH$LINK: PUBCHEM CID:1548887
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.915 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+PK$SPLASH: splash10-03di-0029000000-cc4d1d35ec19a34f7b6f
+PK$NUM_PEAK: 13
+PK$PEAK: m/z int. rel.int.
+  261.0 58104 11
+  263.1 82328 16
+  296.1 1542389 296
+  297.1 282373 54
+  298.1 97365 19
+  311.1 5211719 999
+  312.1 1165169 223
+  313.1 353518 68
+  314.1 66983 13
+  343.1 993062 190
+  344.2 223713 43
+  345.2 69753 13
+  401.1 107630 21
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ03049.txt b/MSSJ/MSBNK-MSSJ-MSJ03049.txt
new file mode 100644
index 00000000000..e297bb3d112
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ03049.txt
@@ -0,0 +1,39 @@
+ACCESSION: MSBNK-MSSJ-MSJ03049
+RECORD_TITLE: Sulindac; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 10 V; [M-HCO2]-
+DATE: 2023.04.05
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230406-1.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Sulindac
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C20H17FO3S
+CH$EXACT_MASS: 356.088244
+CH$SMILES: CC\1=C(C2=C(/C1=C\C3=CC=C(C=C3)S(=O)C)C=CC(=C2)F)CC(=O)O
+CH$IUPAC: InChI=1S/C20H17FO3S/c1-12-17(9-13-3-6-15(7-4-13)25(2)24)16-8-5-14(21)10-19(16)18(12)11-20(22)23/h3-10H,11H2,1-2H3,(H,22,23)/b17-9-
+CH$LINK: CAS 38194-50-2
+CH$LINK: CHEMSPIDER 1265915
+CH$LINK: INCHIKEY MLKXDPUZXIRXEP-MFOYZWKCSA-N
+CH$LINK: PUBCHEM CID:1548887
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.915 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 311.091137
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-HCO2]-
+PK$SPLASH: splash10-01ot-0097000000-db62ec82a037c035fafa
+PK$NUM_PEAK: 2
+PK$PEAK: m/z int. rel.int.
+  296.1 536904 999
+  311.1 437967 815
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ03050.txt b/MSSJ/MSBNK-MSSJ-MSJ03050.txt
new file mode 100644
index 00000000000..dadf54f219b
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ03050.txt
@@ -0,0 +1,45 @@
+ACCESSION: MSBNK-MSSJ-MSJ03050
+RECORD_TITLE: Sulindac; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 20 V; [M-HCO2]-
+DATE: 2023.04.05
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230406-1.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Sulindac
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C20H17FO3S
+CH$EXACT_MASS: 356.088244
+CH$SMILES: CC\1=C(C2=C(/C1=C\C3=CC=C(C=C3)S(=O)C)C=CC(=C2)F)CC(=O)O
+CH$IUPAC: InChI=1S/C20H17FO3S/c1-12-17(9-13-3-6-15(7-4-13)25(2)24)16-8-5-14(21)10-19(16)18(12)11-20(22)23/h3-10H,11H2,1-2H3,(H,22,23)/b17-9-
+CH$LINK: CAS 38194-50-2
+CH$LINK: CHEMSPIDER 1265915
+CH$LINK: INCHIKEY MLKXDPUZXIRXEP-MFOYZWKCSA-N
+CH$LINK: PUBCHEM CID:1548887
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.915 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 311.091137
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-HCO2]-
+PK$SPLASH: splash10-0002-0090000000-1b76d0815b8cfa94e13a
+PK$NUM_PEAK: 8
+PK$PEAK: m/z int. rel.int.
+  136.1 12192 21
+  137.0 12422 21
+  261.2 8272 14
+  263.1 39682 67
+  264.1 16794 29
+  281.1 13997 24
+  296.1 587457 999
+  311.1 6671 11
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ03051.txt b/MSSJ/MSBNK-MSSJ-MSJ03051.txt
new file mode 100644
index 00000000000..c34365fec8a
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ03051.txt
@@ -0,0 +1,72 @@
+ACCESSION: MSBNK-MSSJ-MSJ03051
+RECORD_TITLE: Sulindac; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 30 V; [M-HCO2]-
+DATE: 2023.04.05
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230406-1.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Sulindac
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C20H17FO3S
+CH$EXACT_MASS: 356.088244
+CH$SMILES: CC\1=C(C2=C(/C1=C\C3=CC=C(C=C3)S(=O)C)C=CC(=C2)F)CC(=O)O
+CH$IUPAC: InChI=1S/C20H17FO3S/c1-12-17(9-13-3-6-15(7-4-13)25(2)24)16-8-5-14(21)10-19(16)18(12)11-20(22)23/h3-10H,11H2,1-2H3,(H,22,23)/b17-9-
+CH$LINK: CAS 38194-50-2
+CH$LINK: CHEMSPIDER 1265915
+CH$LINK: INCHIKEY MLKXDPUZXIRXEP-MFOYZWKCSA-N
+CH$LINK: PUBCHEM CID:1548887
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.915 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 311.091137
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-HCO2]-
+PK$SPLASH: splash10-03di-0190000000-1f26833934ac186c3c2a
+PK$NUM_PEAK: 35
+PK$PEAK: m/z int. rel.int.
+  32.3 1165 21
+  33.1 1165 21
+  93.1 4845 88
+  105.3 1165 21
+  124.1 2977 54
+  136.1 12663 229
+  137.0 29925 541
+  148.6 1165 21
+  159.2 582 11
+  170.9 1165 21
+  191.0 3988 72
+  220.1 1165 21
+  221.0 582 11
+  222.1 1165 21
+  233.0 1061 19
+  235.2 582 11
+  246.3 1165 21
+  247.2 1526 28
+  248.0 8233 149
+  251.0 3048 55
+  261.1 25372 459
+  262.1 16463 298
+  263.1 44493 805
+  264.1 44090 797
+  266.7 1815 33
+  274.2 1165 21
+  275.0 2704 49
+  276.2 582 11
+  278.3 931 17
+  279.1 4240 77
+  280.2 12582 228
+  281.1 17332 313
+  290.2 11222 203
+  296.1 55243 999
+  308.8 1165 21
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ03052.txt b/MSSJ/MSBNK-MSSJ-MSJ03052.txt
new file mode 100644
index 00000000000..b34ae7da174
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ03052.txt
@@ -0,0 +1,72 @@
+ACCESSION: MSBNK-MSSJ-MSJ03052
+RECORD_TITLE: Sulindac; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 40 V; [M-HCO2]-
+DATE: 2023.04.05
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230406-1.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Sulindac
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C20H17FO3S
+CH$EXACT_MASS: 356.088244
+CH$SMILES: CC\1=C(C2=C(/C1=C\C3=CC=C(C=C3)S(=O)C)C=CC(=C2)F)CC(=O)O
+CH$IUPAC: InChI=1S/C20H17FO3S/c1-12-17(9-13-3-6-15(7-4-13)25(2)24)16-8-5-14(21)10-19(16)18(12)11-20(22)23/h3-10H,11H2,1-2H3,(H,22,23)/b17-9-
+CH$LINK: CAS 38194-50-2
+CH$LINK: CHEMSPIDER 1265915
+CH$LINK: INCHIKEY MLKXDPUZXIRXEP-MFOYZWKCSA-N
+CH$LINK: PUBCHEM CID:1548887
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.915 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 311.091137
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-HCO2]-
+PK$SPLASH: splash10-03di-0190000000-1a17e1ca928b87d4012f
+PK$NUM_PEAK: 35
+PK$PEAK: m/z int. rel.int.
+  32.3 2104 58
+  80.2 582 16
+  92.2 1113 31
+  93.2 3221 88
+  124.0 2914 80
+  125.1 1165 32
+  136.0 10463 287
+  137.0 13198 362
+  176.9 582 16
+  190.4 4106 113
+  220.1 1709 47
+  227.0 582 16
+  233.2 1165 32
+  235.2 1002 27
+  246.2 582 16
+  248.0 11123 305
+  250.0 582 16
+  251.0 5108 140
+  252.4 465 13
+  253.2 748 21
+  261.1 36413 999
+  263.2 31596 867
+  264.1 14478 397
+  265.4 582 16
+  266.3 1162 32
+  273.8 930 26
+  276.3 582 16
+  277.1 1113 31
+  279.0 3445 95
+  280.0 7645 210
+  281.1 7795 214
+  293.1 5569 153
+  294.3 8422 231
+  295.3 7954 218
+  310.7 1749 48
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ03053.txt b/MSSJ/MSBNK-MSSJ-MSJ03053.txt
new file mode 100644
index 00000000000..19586e7f540
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ03053.txt
@@ -0,0 +1,66 @@
+ACCESSION: MSBNK-MSSJ-MSJ03053
+RECORD_TITLE: Sulindac; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 50 V; [M-HCO2]-
+DATE: 2023.04.05
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230406-1.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Sulindac
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C20H17FO3S
+CH$EXACT_MASS: 356.088244
+CH$SMILES: CC\1=C(C2=C(/C1=C\C3=CC=C(C=C3)S(=O)C)C=CC(=C2)F)CC(=O)O
+CH$IUPAC: InChI=1S/C20H17FO3S/c1-12-17(9-13-3-6-15(7-4-13)25(2)24)16-8-5-14(21)10-19(16)18(12)11-20(22)23/h3-10H,11H2,1-2H3,(H,22,23)/b17-9-
+CH$LINK: CAS 38194-50-2
+CH$LINK: CHEMSPIDER 1265915
+CH$LINK: INCHIKEY MLKXDPUZXIRXEP-MFOYZWKCSA-N
+CH$LINK: PUBCHEM CID:1548887
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.915 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 311.091137
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-HCO2]-
+PK$SPLASH: splash10-03di-0290000000-cfe45f4f0507d0f77443
+PK$NUM_PEAK: 29
+PK$PEAK: m/z int. rel.int.
+  32.2 1165 60
+  93.1 2141 109
+  107.0 1165 60
+  123.4 1400 72
+  137.0 11261 576
+  151.1 1061 54
+  190.0 582 30
+  190.9 1113 57
+  220.0 634 32
+  221.1 1165 60
+  232.2 955 49
+  233.6 582 30
+  238.2 2684 137
+  240.1 391 20
+  247.8 9212 471
+  250.9 2912 149
+  251.8 582 30
+  261.0 19536 999
+  263.0 12320 630
+  263.8 2396 123
+  266.2 1165 60
+  275.1 582 30
+  277.3 1696 87
+  278.9 6457 330
+  280.1 2395 122
+  291.8 582 30
+  293.1 3863 198
+  295.0 3214 164
+  296.0 812 42
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ03054.txt b/MSSJ/MSBNK-MSSJ-MSJ03054.txt
new file mode 100644
index 00000000000..2080e542c8f
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ03054.txt
@@ -0,0 +1,38 @@
+ACCESSION: MSBNK-MSSJ-MSJ03054
+RECORD_TITLE: Sultopride; LC-ESI-QQ; MS; ESI; POSITIVE
+DATE: 2023.04.05
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230406-1.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Sultopride
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C17H26N2O4S
+CH$EXACT_MASS: 354.161321
+CH$SMILES: CCN1CCCC1CNC(=O)C2=C(C=CC(=C2)S(=O)(=O)CC)OC
+CH$IUPAC: InChI=1S/C17H26N2O4S/c1-4-19-10-6-7-13(19)12-18-17(20)15-11-14(24(21,22)5-2)8-9-16(15)23-3/h8-9,11,13H,4-7,10,12H2,1-3H3,(H,18,20)
+CH$LINK: CAS 53583-79-2
+CH$LINK: CHEMSPIDER 5164
+CH$LINK: INCHIKEY UNRHXEPDKXPRTM-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:5357
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.933 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+PK$SPLASH: splash10-0a4i-0009000000-9284f17a5f20d81cbd8c
+PK$NUM_PEAK: 5
+PK$PEAK: m/z int. rel.int.
+  114.2 19533 33
+  355.3 597741 999
+  356.3 103856 174
+  357.3 38323 64
+  358.3 7021 12
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ03055.txt b/MSSJ/MSBNK-MSSJ-MSJ03055.txt
new file mode 100644
index 00000000000..57bd5bd3e2a
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ03055.txt
@@ -0,0 +1,38 @@
+ACCESSION: MSBNK-MSSJ-MSJ03055
+RECORD_TITLE: Sultopride; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 10 V; [M+H]+
+DATE: 2023.04.05
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230406-1.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Sultopride
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C17H26N2O4S
+CH$EXACT_MASS: 354.161321
+CH$SMILES: CCN1CCCC1CNC(=O)C2=C(C=CC(=C2)S(=O)(=O)CC)OC
+CH$IUPAC: InChI=1S/C17H26N2O4S/c1-4-19-10-6-7-13(19)12-18-17(20)15-11-14(24(21,22)5-2)8-9-16(15)23-3/h8-9,11,13H,4-7,10,12H2,1-3H3,(H,18,20)
+CH$LINK: CAS 53583-79-2
+CH$LINK: CHEMSPIDER 5164
+CH$LINK: INCHIKEY UNRHXEPDKXPRTM-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:5357
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.933 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 355.168598
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-0a4i-0009000000-5cf777712f0dc34ee9a7
+PK$NUM_PEAK: 1
+PK$PEAK: m/z int. rel.int.
+  355.3 894434 999
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ03056.txt b/MSSJ/MSBNK-MSSJ-MSJ03056.txt
new file mode 100644
index 00000000000..30a9134c9ec
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ03056.txt
@@ -0,0 +1,41 @@
+ACCESSION: MSBNK-MSSJ-MSJ03056
+RECORD_TITLE: Sultopride; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 20 V; [M+H]+
+DATE: 2023.04.05
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230406-1.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Sultopride
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C17H26N2O4S
+CH$EXACT_MASS: 354.161321
+CH$SMILES: CCN1CCCC1CNC(=O)C2=C(C=CC(=C2)S(=O)(=O)CC)OC
+CH$IUPAC: InChI=1S/C17H26N2O4S/c1-4-19-10-6-7-13(19)12-18-17(20)15-11-14(24(21,22)5-2)8-9-16(15)23-3/h8-9,11,13H,4-7,10,12H2,1-3H3,(H,18,20)
+CH$LINK: CAS 53583-79-2
+CH$LINK: CHEMSPIDER 5164
+CH$LINK: INCHIKEY UNRHXEPDKXPRTM-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:5357
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.933 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 355.168598
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-0a4i-0209000000-c9bf53db812bd752e252
+PK$NUM_PEAK: 4
+PK$PEAK: m/z int. rel.int.
+  58.3 9654 19
+  112.3 130232 255
+  227.2 20103 39
+  355.3 509798 999
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ03057.txt b/MSSJ/MSBNK-MSSJ-MSJ03057.txt
new file mode 100644
index 00000000000..80f12d1612f
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ03057.txt
@@ -0,0 +1,45 @@
+ACCESSION: MSBNK-MSSJ-MSJ03057
+RECORD_TITLE: Sultopride; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 30 V; [M+H]+
+DATE: 2023.04.05
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230406-1.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Sultopride
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C17H26N2O4S
+CH$EXACT_MASS: 354.161321
+CH$SMILES: CCN1CCCC1CNC(=O)C2=C(C=CC(=C2)S(=O)(=O)CC)OC
+CH$IUPAC: InChI=1S/C17H26N2O4S/c1-4-19-10-6-7-13(19)12-18-17(20)15-11-14(24(21,22)5-2)8-9-16(15)23-3/h8-9,11,13H,4-7,10,12H2,1-3H3,(H,18,20)
+CH$LINK: CAS 53583-79-2
+CH$LINK: CHEMSPIDER 5164
+CH$LINK: INCHIKEY UNRHXEPDKXPRTM-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:5357
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.933 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 355.168598
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-03di-4921000000-211b184699c505ec9f82
+PK$NUM_PEAK: 8
+PK$PEAK: m/z int. rel.int.
+  58.3 58843 232
+  84.2 37523 148
+  98.3 34401 136
+  112.3 253242 999
+  134.1 3133 12
+  199.1 6607 26
+  227.1 83194 328
+  355.3 35095 138
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ03058.txt b/MSSJ/MSBNK-MSSJ-MSJ03058.txt
new file mode 100644
index 00000000000..f0c81f4150d
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ03058.txt
@@ -0,0 +1,54 @@
+ACCESSION: MSBNK-MSSJ-MSJ03058
+RECORD_TITLE: Sultopride; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 40 V; [M+H]+
+DATE: 2023.04.05
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230406-1.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Sultopride
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C17H26N2O4S
+CH$EXACT_MASS: 354.161321
+CH$SMILES: CCN1CCCC1CNC(=O)C2=C(C=CC(=C2)S(=O)(=O)CC)OC
+CH$IUPAC: InChI=1S/C17H26N2O4S/c1-4-19-10-6-7-13(19)12-18-17(20)15-11-14(24(21,22)5-2)8-9-16(15)23-3/h8-9,11,13H,4-7,10,12H2,1-3H3,(H,18,20)
+CH$LINK: CAS 53583-79-2
+CH$LINK: CHEMSPIDER 5164
+CH$LINK: INCHIKEY UNRHXEPDKXPRTM-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:5357
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.933 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 355.168598
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-08gj-9720000000-652d077350ec8d65daad
+PK$NUM_PEAK: 17
+PK$PEAK: m/z int. rel.int.
+  30.3 4683 38
+  55.3 6982 57
+  56.3 16213 131
+  58.3 47607 386
+  67.2 2264 18
+  69.2 2825 23
+  70.2 2314 19
+  78.3 2217 18
+  82.3 1390 11
+  84.3 82871 672
+  97.2 1485 12
+  98.3 33833 274
+  110.3 7032 57
+  112.3 123173 999
+  134.2 15045 122
+  199.1 31518 256
+  227.1 57545 467
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ03059.txt b/MSSJ/MSBNK-MSSJ-MSJ03059.txt
new file mode 100644
index 00000000000..34c97d07984
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ03059.txt
@@ -0,0 +1,63 @@
+ACCESSION: MSBNK-MSSJ-MSJ03059
+RECORD_TITLE: Sultopride; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 50 V; [M+H]+
+DATE: 2023.04.05
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230406-1.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Sultopride
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C17H26N2O4S
+CH$EXACT_MASS: 354.161321
+CH$SMILES: CCN1CCCC1CNC(=O)C2=C(C=CC(=C2)S(=O)(=O)CC)OC
+CH$IUPAC: InChI=1S/C17H26N2O4S/c1-4-19-10-6-7-13(19)12-18-17(20)15-11-14(24(21,22)5-2)8-9-16(15)23-3/h8-9,11,13H,4-7,10,12H2,1-3H3,(H,18,20)
+CH$LINK: CAS 53583-79-2
+CH$LINK: CHEMSPIDER 5164
+CH$LINK: INCHIKEY UNRHXEPDKXPRTM-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:5357
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.933 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 355.168598
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-053r-9400000000-fd05b04385be0462779f
+PK$NUM_PEAK: 26
+PK$PEAK: m/z int. rel.int.
+  28.1 1060 13
+  30.3 3143 38
+  41.1 2243 27
+  42.4 1076 13
+  44.2 1572 19
+  55.3 9672 118
+  56.3 30530 372
+  58.3 31627 386
+  67.2 1632 20
+  69.2 1078 13
+  70.3 3217 39
+  76.2 2616 32
+  77.2 1381 17
+  78.3 3021 37
+  82.3 6980 85
+  84.3 81948 999
+  96.3 1382 17
+  98.3 16464 201
+  110.3 1055 13
+  112.3 36066 440
+  134.2 46155 563
+  135.2 2136 26
+  141.0 1006 12
+  150.2 1945 24
+  199.1 14265 174
+  227.1 13290 162
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ03060.txt b/MSSJ/MSBNK-MSSJ-MSJ03060.txt
new file mode 100644
index 00000000000..fdd022e04a6
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ03060.txt
@@ -0,0 +1,59 @@
+ACCESSION: MSBNK-MSSJ-MSJ03060
+RECORD_TITLE: Sultopride; LC-ESI-QQ; MS; ESI; NEGATIVE
+DATE: 2023.04.05
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230406-1.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Sultopride
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C17H26N2O4S
+CH$EXACT_MASS: 354.161321
+CH$SMILES: CCN1CCCC1CNC(=O)C2=C(C=CC(=C2)S(=O)(=O)CC)OC
+CH$IUPAC: InChI=1S/C17H26N2O4S/c1-4-19-10-6-7-13(19)12-18-17(20)15-11-14(24(21,22)5-2)8-9-16(15)23-3/h8-9,11,13H,4-7,10,12H2,1-3H3,(H,18,20)
+CH$LINK: CAS 53583-79-2
+CH$LINK: CHEMSPIDER 5164
+CH$LINK: INCHIKEY UNRHXEPDKXPRTM-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:5357
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.933 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+PK$SPLASH: splash10-0udi-0009000000-29143bbc4ec4168fb2a8
+PK$NUM_PEAK: 26
+PK$PEAK: m/z int. rel.int.
+  100.9 19990 22
+  112.7 16832 18
+  128.9 14251 16
+  137.1 17646 19
+  144.9 15412 17
+  164.9 12665 14
+  181.0 9785 11
+  227.0 11506 13
+  339.2 119263 130
+  340.2 26428 29
+  341.2 16566 18
+  353.2 917182 999
+  354.2 157817 172
+  355.2 58213 63
+  356.1 11713 13
+  389.2 301405 328
+  390.1 60835 66
+  391.2 134331 146
+  392.1 20254 22
+  399.2 551011 600
+  400.2 103200 112
+  401.2 38258 42
+  416.2 12870 14
+  443.2 10625 12
+  471.1 52048 57
+  473.1 35576 39
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ03061.txt b/MSSJ/MSBNK-MSSJ-MSJ03061.txt
new file mode 100644
index 00000000000..0157e0e0d17
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ03061.txt
@@ -0,0 +1,42 @@
+ACCESSION: MSBNK-MSSJ-MSJ03061
+RECORD_TITLE: Sultopride; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 10 V; [M-H]-
+DATE: 2023.04.05
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230406-1.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Sultopride
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C17H26N2O4S
+CH$EXACT_MASS: 354.161321
+CH$SMILES: CCN1CCCC1CNC(=O)C2=C(C=CC(=C2)S(=O)(=O)CC)OC
+CH$IUPAC: InChI=1S/C17H26N2O4S/c1-4-19-10-6-7-13(19)12-18-17(20)15-11-14(24(21,22)5-2)8-9-16(15)23-3/h8-9,11,13H,4-7,10,12H2,1-3H3,(H,18,20)
+CH$LINK: CAS 53583-79-2
+CH$LINK: CHEMSPIDER 5164
+CH$LINK: INCHIKEY UNRHXEPDKXPRTM-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:5357
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.933 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 353.154044
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+PK$SPLASH: splash10-0udi-0409000000-d573e7f4fdeeaee4a134
+PK$NUM_PEAK: 5
+PK$PEAK: m/z int. rel.int.
+  93.0 4315 66
+  169.0 22748 350
+  170.8 758 12
+  199.0 11199 172
+  353.2 64951 999
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ03062.txt b/MSSJ/MSBNK-MSSJ-MSJ03062.txt
new file mode 100644
index 00000000000..d52c9a9d166
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ03062.txt
@@ -0,0 +1,44 @@
+ACCESSION: MSBNK-MSSJ-MSJ03062
+RECORD_TITLE: Sultopride; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 20 V; [M-H]-
+DATE: 2023.04.05
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230406-1.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Sultopride
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C17H26N2O4S
+CH$EXACT_MASS: 354.161321
+CH$SMILES: CCN1CCCC1CNC(=O)C2=C(C=CC(=C2)S(=O)(=O)CC)OC
+CH$IUPAC: InChI=1S/C17H26N2O4S/c1-4-19-10-6-7-13(19)12-18-17(20)15-11-14(24(21,22)5-2)8-9-16(15)23-3/h8-9,11,13H,4-7,10,12H2,1-3H3,(H,18,20)
+CH$LINK: CAS 53583-79-2
+CH$LINK: CHEMSPIDER 5164
+CH$LINK: INCHIKEY UNRHXEPDKXPRTM-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:5357
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.933 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 353.154044
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+PK$SPLASH: splash10-014i-1900000000-5ffa3d222463ce93f35a
+PK$NUM_PEAK: 7
+PK$PEAK: m/z int. rel.int.
+  64.1 1431 21
+  93.0 9264 138
+  139.8 1844 27
+  169.0 67208 999
+  170.7 1490 22
+  198.9 4991 74
+  353.2 1688 25
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ03063.txt b/MSSJ/MSBNK-MSSJ-MSJ03063.txt
new file mode 100644
index 00000000000..d67ecb2fad1
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ03063.txt
@@ -0,0 +1,43 @@
+ACCESSION: MSBNK-MSSJ-MSJ03063
+RECORD_TITLE: Sultopride; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 30 V; [M-H]-
+DATE: 2023.04.05
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230406-1.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Sultopride
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C17H26N2O4S
+CH$EXACT_MASS: 354.161321
+CH$SMILES: CCN1CCCC1CNC(=O)C2=C(C=CC(=C2)S(=O)(=O)CC)OC
+CH$IUPAC: InChI=1S/C17H26N2O4S/c1-4-19-10-6-7-13(19)12-18-17(20)15-11-14(24(21,22)5-2)8-9-16(15)23-3/h8-9,11,13H,4-7,10,12H2,1-3H3,(H,18,20)
+CH$LINK: CAS 53583-79-2
+CH$LINK: CHEMSPIDER 5164
+CH$LINK: INCHIKEY UNRHXEPDKXPRTM-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:5357
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.933 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 353.154044
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+PK$SPLASH: splash10-014l-1900000000-fd7b1d9efc909e62b238
+PK$NUM_PEAK: 6
+PK$PEAK: m/z int. rel.int.
+  63.9 2238 59
+  93.1 5682 149
+  140.0 14278 376
+  140.8 1834 48
+  168.9 37974 999
+  171.0 835 22
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ03064.txt b/MSSJ/MSBNK-MSSJ-MSJ03064.txt
new file mode 100644
index 00000000000..2a79364373e
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ03064.txt
@@ -0,0 +1,46 @@
+ACCESSION: MSBNK-MSSJ-MSJ03064
+RECORD_TITLE: Sultopride; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 40 V; [M-H]-
+DATE: 2023.04.05
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230406-1.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Sultopride
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C17H26N2O4S
+CH$EXACT_MASS: 354.161321
+CH$SMILES: CCN1CCCC1CNC(=O)C2=C(C=CC(=C2)S(=O)(=O)CC)OC
+CH$IUPAC: InChI=1S/C17H26N2O4S/c1-4-19-10-6-7-13(19)12-18-17(20)15-11-14(24(21,22)5-2)8-9-16(15)23-3/h8-9,11,13H,4-7,10,12H2,1-3H3,(H,18,20)
+CH$LINK: CAS 53583-79-2
+CH$LINK: CHEMSPIDER 5164
+CH$LINK: INCHIKEY UNRHXEPDKXPRTM-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:5357
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.933 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 353.154044
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+PK$SPLASH: splash10-0006-3900000000-3e38e0938f701cd07cd8
+PK$NUM_PEAK: 9
+PK$PEAK: m/z int. rel.int.
+  64.0 3669 261
+  65.1 582 41
+  75.9 1062 76
+  93.0 6866 488
+  105.7 291 21
+  132.6 582 41
+  140.0 14051 999
+  140.9 2921 208
+  169.0 10432 742
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ03065.txt b/MSSJ/MSBNK-MSSJ-MSJ03065.txt
new file mode 100644
index 00000000000..e2225368592
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ03065.txt
@@ -0,0 +1,47 @@
+ACCESSION: MSBNK-MSSJ-MSJ03065
+RECORD_TITLE: Sultopride; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 50 V; [M-H]-
+DATE: 2023.04.05
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230406-1.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Sultopride
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C17H26N2O4S
+CH$EXACT_MASS: 354.161321
+CH$SMILES: CCN1CCCC1CNC(=O)C2=C(C=CC(=C2)S(=O)(=O)CC)OC
+CH$IUPAC: InChI=1S/C17H26N2O4S/c1-4-19-10-6-7-13(19)12-18-17(20)15-11-14(24(21,22)5-2)8-9-16(15)23-3/h8-9,11,13H,4-7,10,12H2,1-3H3,(H,18,20)
+CH$LINK: CAS 53583-79-2
+CH$LINK: CHEMSPIDER 5164
+CH$LINK: INCHIKEY UNRHXEPDKXPRTM-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:5357
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.933 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 353.154044
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+PK$SPLASH: splash10-000l-9800000000-3d61b3c52c3be4d2d9ca
+PK$NUM_PEAK: 10
+PK$PEAK: m/z int. rel.int.
+  64.1 3908 259
+  65.2 1114 74
+  76.2 4813 319
+  77.1 835 55
+  93.0 8851 587
+  107.9 233 15
+  139.9 15052 999
+  140.8 544 36
+  155.6 291 19
+  168.9 2752 183
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ03066.txt b/MSSJ/MSBNK-MSSJ-MSJ03066.txt
new file mode 100644
index 00000000000..e88ff6384e7
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ03066.txt
@@ -0,0 +1,38 @@
+ACCESSION: MSBNK-MSSJ-MSJ03066
+RECORD_TITLE: Sulpiride; LC-ESI-QQ; MS; ESI; POSITIVE
+DATE: 2023.04.05
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230406-1.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Sulpiride
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C15H23N3O4S
+CH$EXACT_MASS: 341.140916
+CH$SMILES: CCN1CCCC1CNC(=O)C2=C(C=CC(=C2)S(=O)(=O)N)OC
+CH$IUPAC: InChI=1S/C15H23N3O4S/c1-3-18-8-4-5-11(18)10-17-15(19)13-9-12(23(16,20)21)6-7-14(13)22-2/h6-7,9,11H,3-5,8,10H2,1-2H3,(H,17,19)(H2,16,20,21)
+CH$LINK: CAS 15676-16-1
+CH$LINK: CHEMSPIDER 5162
+CH$LINK: INCHIKEY BGRJTUBHPOOWDU-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:5355
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 3.846 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+PK$SPLASH: splash10-0006-0009000000-cf4eb6c52ec47e96bb4a
+PK$NUM_PEAK: 5
+PK$PEAK: m/z int. rel.int.
+  214.3 6050 11
+  342.3 556765 999
+  343.3 88787 159
+  344.2 37077 67
+  345.3 9127 16
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ03067.txt b/MSSJ/MSBNK-MSSJ-MSJ03067.txt
new file mode 100644
index 00000000000..1e91d9e1ef8
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ03067.txt
@@ -0,0 +1,38 @@
+ACCESSION: MSBNK-MSSJ-MSJ03067
+RECORD_TITLE: Sulpiride; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 10 V; [M+H]+
+DATE: 2023.04.05
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230406-1.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Sulpiride
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C15H23N3O4S
+CH$EXACT_MASS: 341.140916
+CH$SMILES: CCN1CCCC1CNC(=O)C2=C(C=CC(=C2)S(=O)(=O)N)OC
+CH$IUPAC: InChI=1S/C15H23N3O4S/c1-3-18-8-4-5-11(18)10-17-15(19)13-9-12(23(16,20)21)6-7-14(13)22-2/h6-7,9,11H,3-5,8,10H2,1-2H3,(H,17,19)(H2,16,20,21)
+CH$LINK: CAS 15676-16-1
+CH$LINK: CHEMSPIDER 5162
+CH$LINK: INCHIKEY BGRJTUBHPOOWDU-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:5355
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 3.846 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 342.148193
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-0006-0009000000-c273a265dbdb1cfa6b03
+PK$NUM_PEAK: 1
+PK$PEAK: m/z int. rel.int.
+  342.3 271787 999
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ03068.txt b/MSSJ/MSBNK-MSSJ-MSJ03068.txt
new file mode 100644
index 00000000000..90ecba7bbf8
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ03068.txt
@@ -0,0 +1,42 @@
+ACCESSION: MSBNK-MSSJ-MSJ03068
+RECORD_TITLE: Sulpiride; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 20 V; [M+H]+
+DATE: 2023.04.05
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230406-1.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Sulpiride
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C15H23N3O4S
+CH$EXACT_MASS: 341.140916
+CH$SMILES: CCN1CCCC1CNC(=O)C2=C(C=CC(=C2)S(=O)(=O)N)OC
+CH$IUPAC: InChI=1S/C15H23N3O4S/c1-3-18-8-4-5-11(18)10-17-15(19)13-9-12(23(16,20)21)6-7-14(13)22-2/h6-7,9,11H,3-5,8,10H2,1-2H3,(H,17,19)(H2,16,20,21)
+CH$LINK: CAS 15676-16-1
+CH$LINK: CHEMSPIDER 5162
+CH$LINK: INCHIKEY BGRJTUBHPOOWDU-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:5355
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 3.846 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 342.148193
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-0006-0209000000-397d6496a13741344969
+PK$NUM_PEAK: 5
+PK$PEAK: m/z int. rel.int.
+  58.3 3221 21
+  98.2 2088 14
+  112.3 37625 247
+  214.2 5620 37
+  342.3 152028 999
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ03069.txt b/MSSJ/MSBNK-MSSJ-MSJ03069.txt
new file mode 100644
index 00000000000..b47a770b7b2
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ03069.txt
@@ -0,0 +1,45 @@
+ACCESSION: MSBNK-MSSJ-MSJ03069
+RECORD_TITLE: Sulpiride; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 30 V; [M+H]+
+DATE: 2023.04.05
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230406-1.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Sulpiride
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C15H23N3O4S
+CH$EXACT_MASS: 341.140916
+CH$SMILES: CCN1CCCC1CNC(=O)C2=C(C=CC(=C2)S(=O)(=O)N)OC
+CH$IUPAC: InChI=1S/C15H23N3O4S/c1-3-18-8-4-5-11(18)10-17-15(19)13-9-12(23(16,20)21)6-7-14(13)22-2/h6-7,9,11H,3-5,8,10H2,1-2H3,(H,17,19)(H2,16,20,21)
+CH$LINK: CAS 15676-16-1
+CH$LINK: CHEMSPIDER 5162
+CH$LINK: INCHIKEY BGRJTUBHPOOWDU-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:5355
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 3.846 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 342.148193
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-03di-3920000000-e4b40ad1919757639acd
+PK$NUM_PEAK: 8
+PK$PEAK: m/z int. rel.int.
+  55.3 1611 16
+  58.3 17609 176
+  84.2 14094 140
+  98.3 8223 82
+  112.3 100232 999
+  134.1 1067 11
+  214.1 28069 280
+  342.2 8035 80
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ03070.txt b/MSSJ/MSBNK-MSSJ-MSJ03070.txt
new file mode 100644
index 00000000000..284c753d4f5
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ03070.txt
@@ -0,0 +1,62 @@
+ACCESSION: MSBNK-MSSJ-MSJ03070
+RECORD_TITLE: Sulpiride; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 40 V; [M+H]+
+DATE: 2023.04.05
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230406-1.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Sulpiride
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C15H23N3O4S
+CH$EXACT_MASS: 341.140916
+CH$SMILES: CCN1CCCC1CNC(=O)C2=C(C=CC(=C2)S(=O)(=O)N)OC
+CH$IUPAC: InChI=1S/C15H23N3O4S/c1-3-18-8-4-5-11(18)10-17-15(19)13-9-12(23(16,20)21)6-7-14(13)22-2/h6-7,9,11H,3-5,8,10H2,1-2H3,(H,17,19)(H2,16,20,21)
+CH$LINK: CAS 15676-16-1
+CH$LINK: CHEMSPIDER 5162
+CH$LINK: INCHIKEY BGRJTUBHPOOWDU-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:5355
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 3.846 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 342.148193
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-03di-9630000000-8c3bdfebb0ba62992402
+PK$NUM_PEAK: 25
+PK$PEAK: m/z int. rel.int.
+  30.3 1150 29
+  42.4 604 15
+  55.4 2779 71
+  56.3 5552 141
+  58.3 17103 435
+  67.2 1419 36
+  69.3 547 14
+  70.3 511 13
+  77.2 487 12
+  82.3 764 19
+  84.3 24426 621
+  92.3 576 15
+  98.2 8981 228
+  107.3 930 24
+  110.4 1017 26
+  112.3 39298 999
+  120.3 643 16
+  133.2 643 16
+  134.2 626 16
+  139.0 1116 28
+  156.2 2477 63
+  199.1 576 15
+  212.9 841 21
+  214.0 25336 644
+  342.0 859 22
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ03071.txt b/MSSJ/MSBNK-MSSJ-MSJ03071.txt
new file mode 100644
index 00000000000..0bfb433741d
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ03071.txt
@@ -0,0 +1,77 @@
+ACCESSION: MSBNK-MSSJ-MSJ03071
+RECORD_TITLE: Sulpiride; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 50 V; [M+H]+
+DATE: 2023.04.05
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230406-1.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Sulpiride
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C15H23N3O4S
+CH$EXACT_MASS: 341.140916
+CH$SMILES: CCN1CCCC1CNC(=O)C2=C(C=CC(=C2)S(=O)(=O)N)OC
+CH$IUPAC: InChI=1S/C15H23N3O4S/c1-3-18-8-4-5-11(18)10-17-15(19)13-9-12(23(16,20)21)6-7-14(13)22-2/h6-7,9,11H,3-5,8,10H2,1-2H3,(H,17,19)(H2,16,20,21)
+CH$LINK: CAS 15676-16-1
+CH$LINK: CHEMSPIDER 5162
+CH$LINK: INCHIKEY BGRJTUBHPOOWDU-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:5355
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 3.846 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 342.148193
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-06si-9310000000-3742319e68291fcaab09
+PK$NUM_PEAK: 40
+PK$PEAK: m/z int. rel.int.
+  30.3 1198 53
+  41.4 941 41
+  42.3 1004 44
+  44.3 503 22
+  55.3 4324 191
+  56.3 6593 291
+  58.3 11728 517
+  64.1 525 23
+  67.2 1571 69
+  68.4 454 20
+  69.3 799 35
+  70.4 1194 53
+  75.3 2261 100
+  76.2 354 16
+  77.4 967 43
+  78.4 729 32
+  79.3 1066 47
+  80.2 667 29
+  82.2 933 41
+  83.3 374 16
+  84.2 22662 999
+  92.4 818 36
+  95.3 925 41
+  98.3 6672 294
+  106.1 409 18
+  107.1 1228 54
+  108.2 2110 93
+  109.2 1065 47
+  110.2 1760 78
+  112.3 11901 525
+  133.3 750 33
+  134.2 2578 114
+  138.2 427 19
+  139.1 3583 158
+  155.0 800 35
+  156.2 2461 108
+  171.0 576 25
+  214.0 8194 361
+  241.9 1833 81
+  254.8 428 19
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ03072.txt b/MSSJ/MSBNK-MSSJ-MSJ03072.txt
new file mode 100644
index 00000000000..d2a57e10edb
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ03072.txt
@@ -0,0 +1,48 @@
+ACCESSION: MSBNK-MSSJ-MSJ03072
+RECORD_TITLE: Sulpiride; LC-ESI-QQ; MS; ESI; NEGATIVE
+DATE: 2023.04.05
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230406-1.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Sulpiride
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C15H23N3O4S
+CH$EXACT_MASS: 341.140916
+CH$SMILES: CCN1CCCC1CNC(=O)C2=C(C=CC(=C2)S(=O)(=O)N)OC
+CH$IUPAC: InChI=1S/C15H23N3O4S/c1-3-18-8-4-5-11(18)10-17-15(19)13-9-12(23(16,20)21)6-7-14(13)22-2/h6-7,9,11H,3-5,8,10H2,1-2H3,(H,17,19)(H2,16,20,21)
+CH$LINK: CAS 15676-16-1
+CH$LINK: CHEMSPIDER 5162
+CH$LINK: INCHIKEY BGRJTUBHPOOWDU-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:5355
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 3.846 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+PK$SPLASH: splash10-000f-0009000000-8e1d1d664c10a759a7f5
+PK$NUM_PEAK: 15
+PK$PEAK: m/z int. rel.int.
+  326.1 13698 11
+  340.2 1261543 999
+  341.2 229709 182
+  342.2 86288 68
+  343.2 15570 12
+  376.1 396048 314
+  377.2 79783 63
+  378.1 146521 116
+  379.1 28003 22
+  386.2 1034709 819
+  387.2 198043 157
+  388.2 67796 54
+  403.2 42122 33
+  408.1 16831 13
+  430.1 18267 14
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ03073.txt b/MSSJ/MSBNK-MSSJ-MSJ03073.txt
new file mode 100644
index 00000000000..9cbc2e9815a
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ03073.txt
@@ -0,0 +1,41 @@
+ACCESSION: MSBNK-MSSJ-MSJ03073
+RECORD_TITLE: Sulpiride; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 10 V; [M-H]-
+DATE: 2023.04.05
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230406-1.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Sulpiride
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C15H23N3O4S
+CH$EXACT_MASS: 341.140916
+CH$SMILES: CCN1CCCC1CNC(=O)C2=C(C=CC(=C2)S(=O)(=O)N)OC
+CH$IUPAC: InChI=1S/C15H23N3O4S/c1-3-18-8-4-5-11(18)10-17-15(19)13-9-12(23(16,20)21)6-7-14(13)22-2/h6-7,9,11H,3-5,8,10H2,1-2H3,(H,17,19)(H2,16,20,21)
+CH$LINK: CAS 15676-16-1
+CH$LINK: CHEMSPIDER 5162
+CH$LINK: INCHIKEY BGRJTUBHPOOWDU-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:5355
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 3.846 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 340.133639
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+PK$SPLASH: splash10-0006-0009000000-7bdd8ca68ea73e3055fc
+PK$NUM_PEAK: 4
+PK$PEAK: m/z int. rel.int.
+  122.1 885 13
+  156.0 5240 75
+  186.1 1318 19
+  340.2 69409 999
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ03074.txt b/MSSJ/MSBNK-MSSJ-MSJ03074.txt
new file mode 100644
index 00000000000..f0e230edcd1
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ03074.txt
@@ -0,0 +1,44 @@
+ACCESSION: MSBNK-MSSJ-MSJ03074
+RECORD_TITLE: Sulpiride; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 20 V; [M-H]-
+DATE: 2023.04.05
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230406-1.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Sulpiride
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C15H23N3O4S
+CH$EXACT_MASS: 341.140916
+CH$SMILES: CCN1CCCC1CNC(=O)C2=C(C=CC(=C2)S(=O)(=O)N)OC
+CH$IUPAC: InChI=1S/C15H23N3O4S/c1-3-18-8-4-5-11(18)10-17-15(19)13-9-12(23(16,20)21)6-7-14(13)22-2/h6-7,9,11H,3-5,8,10H2,1-2H3,(H,17,19)(H2,16,20,21)
+CH$LINK: CAS 15676-16-1
+CH$LINK: CHEMSPIDER 5162
+CH$LINK: INCHIKEY BGRJTUBHPOOWDU-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:5355
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 3.846 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 340.133639
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+PK$SPLASH: splash10-0a4i-1903000000-10bca6d33a192c3f4f01
+PK$NUM_PEAK: 7
+PK$PEAK: m/z int. rel.int.
+  62.0 628 18
+  80.0 5120 146
+  122.0 716 20
+  155.9 35002 999
+  184.0 589 17
+  186.0 4420 126
+  340.1 15252 435
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ03075.txt b/MSSJ/MSBNK-MSSJ-MSJ03075.txt
new file mode 100644
index 00000000000..1732c7fdbf1
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ03075.txt
@@ -0,0 +1,47 @@
+ACCESSION: MSBNK-MSSJ-MSJ03075
+RECORD_TITLE: Sulpiride; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 30 V; [M-H]-
+DATE: 2023.04.05
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230406-1.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Sulpiride
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C15H23N3O4S
+CH$EXACT_MASS: 341.140916
+CH$SMILES: CCN1CCCC1CNC(=O)C2=C(C=CC(=C2)S(=O)(=O)N)OC
+CH$IUPAC: InChI=1S/C15H23N3O4S/c1-3-18-8-4-5-11(18)10-17-15(19)13-9-12(23(16,20)21)6-7-14(13)22-2/h6-7,9,11H,3-5,8,10H2,1-2H3,(H,17,19)(H2,16,20,21)
+CH$LINK: CAS 15676-16-1
+CH$LINK: CHEMSPIDER 5162
+CH$LINK: INCHIKEY BGRJTUBHPOOWDU-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:5355
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 3.846 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 340.133639
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+PK$SPLASH: splash10-0a4i-2900000000-bdbdeb598f8c7e82ff23
+PK$NUM_PEAK: 10
+PK$PEAK: m/z int. rel.int.
+  62.1 603 19
+  80.0 8070 253
+  92.1 883 28
+  119.6 463 14
+  122.0 442 14
+  139.8 916 29
+  155.9 31924 999
+  157.8 589 18
+  185.6 1043 33
+  260.9 1165 36
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ03076.txt b/MSSJ/MSBNK-MSSJ-MSJ03076.txt
new file mode 100644
index 00000000000..b28407019c8
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ03076.txt
@@ -0,0 +1,51 @@
+ACCESSION: MSBNK-MSSJ-MSJ03076
+RECORD_TITLE: Sulpiride; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 40 V; [M-H]-
+DATE: 2023.04.05
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230406-1.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Sulpiride
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C15H23N3O4S
+CH$EXACT_MASS: 341.140916
+CH$SMILES: CCN1CCCC1CNC(=O)C2=C(C=CC(=C2)S(=O)(=O)N)OC
+CH$IUPAC: InChI=1S/C15H23N3O4S/c1-3-18-8-4-5-11(18)10-17-15(19)13-9-12(23(16,20)21)6-7-14(13)22-2/h6-7,9,11H,3-5,8,10H2,1-2H3,(H,17,19)(H2,16,20,21)
+CH$LINK: CAS 15676-16-1
+CH$LINK: CHEMSPIDER 5162
+CH$LINK: INCHIKEY BGRJTUBHPOOWDU-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:5355
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 3.846 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 340.133639
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+PK$SPLASH: splash10-053r-9600000000-662f021aafc9a8ce40ca
+PK$NUM_PEAK: 14
+PK$PEAK: m/z int. rel.int.
+  61.9 1351 102
+  64.3 617 47
+  80.1 13189 999
+  92.1 1808 137
+  92.9 594 45
+  94.3 154 12
+  120.5 599 45
+  139.2 308 23
+  140.0 737 56
+  141.0 308 23
+  156.0 10644 806
+  163.0 294 22
+  198.0 589 45
+  261.0 480 36
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ03077.txt b/MSSJ/MSBNK-MSSJ-MSJ03077.txt
new file mode 100644
index 00000000000..06c835b4c03
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ03077.txt
@@ -0,0 +1,52 @@
+ACCESSION: MSBNK-MSSJ-MSJ03077
+RECORD_TITLE: Sulpiride; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 50 V; [M-H]-
+DATE: 2023.04.05
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230406-1.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Sulpiride
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C15H23N3O4S
+CH$EXACT_MASS: 341.140916
+CH$SMILES: CCN1CCCC1CNC(=O)C2=C(C=CC(=C2)S(=O)(=O)N)OC
+CH$IUPAC: InChI=1S/C15H23N3O4S/c1-3-18-8-4-5-11(18)10-17-15(19)13-9-12(23(16,20)21)6-7-14(13)22-2/h6-7,9,11H,3-5,8,10H2,1-2H3,(H,17,19)(H2,16,20,21)
+CH$LINK: CAS 15676-16-1
+CH$LINK: CHEMSPIDER 5162
+CH$LINK: INCHIKEY BGRJTUBHPOOWDU-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:5355
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 3.846 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 340.133639
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+PK$SPLASH: splash10-01q9-9300000000-95af09cfc3a1a76b3aa7
+PK$NUM_PEAK: 15
+PK$PEAK: m/z int. rel.int.
+  62.0 2241 282
+  64.1 2035 256
+  76.1 623 78
+  78.8 115 14
+  80.0 7944 999
+  92.0 1426 179
+  92.9 415 52
+  105.9 308 39
+  118.8 308 39
+  120.0 1125 141
+  138.4 154 19
+  139.9 1276 160
+  146.9 927 117
+  156.0 1502 189
+  261.2 308 39
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ03078.txt b/MSSJ/MSBNK-MSSJ-MSJ03078.txt
new file mode 100644
index 00000000000..70daf101cff
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ03078.txt
@@ -0,0 +1,42 @@
+ACCESSION: MSBNK-MSSJ-MSJ03078
+RECORD_TITLE: Sulpiride; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 10 V; [M+HCO2]-
+DATE: 2023.04.05
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230406-1.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Sulpiride
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C15H23N3O4S
+CH$EXACT_MASS: 341.140916
+CH$SMILES: CCN1CCCC1CNC(=O)C2=C(C=CC(=C2)S(=O)(=O)N)OC
+CH$IUPAC: InChI=1S/C15H23N3O4S/c1-3-18-8-4-5-11(18)10-17-15(19)13-9-12(23(16,20)21)6-7-14(13)22-2/h6-7,9,11H,3-5,8,10H2,1-2H3,(H,17,19)(H2,16,20,21)
+CH$LINK: CAS 15676-16-1
+CH$LINK: CHEMSPIDER 5162
+CH$LINK: INCHIKEY BGRJTUBHPOOWDU-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:5355
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 3.846 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 386.139119
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+HCO2]-
+PK$SPLASH: splash10-0006-0009000000-e5f825febcd30610f46a
+PK$NUM_PEAK: 5
+PK$PEAK: m/z int. rel.int.
+  156.0 976 22
+  202.5 1754 39
+  340.2 44889 999
+  385.4 663 15
+  386.3 10058 224
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ03079.txt b/MSSJ/MSBNK-MSSJ-MSJ03079.txt
new file mode 100644
index 00000000000..8cb948cc148
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ03079.txt
@@ -0,0 +1,42 @@
+ACCESSION: MSBNK-MSSJ-MSJ03079
+RECORD_TITLE: Sulpiride; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 20 V; [M+HCO2]-
+DATE: 2023.04.05
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230406-1.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Sulpiride
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C15H23N3O4S
+CH$EXACT_MASS: 341.140916
+CH$SMILES: CCN1CCCC1CNC(=O)C2=C(C=CC(=C2)S(=O)(=O)N)OC
+CH$IUPAC: InChI=1S/C15H23N3O4S/c1-3-18-8-4-5-11(18)10-17-15(19)13-9-12(23(16,20)21)6-7-14(13)22-2/h6-7,9,11H,3-5,8,10H2,1-2H3,(H,17,19)(H2,16,20,21)
+CH$LINK: CAS 15676-16-1
+CH$LINK: CHEMSPIDER 5162
+CH$LINK: INCHIKEY BGRJTUBHPOOWDU-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:5355
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 3.846 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 386.139119
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+HCO2]-
+PK$SPLASH: splash10-0006-0609000000-ceecbd69ce7a86710571
+PK$NUM_PEAK: 5
+PK$PEAK: m/z int. rel.int.
+  80.2 2225 81
+  107.2 437 16
+  156.0 13431 488
+  186.0 4574 166
+  340.2 27520 999
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ03080.txt b/MSSJ/MSBNK-MSSJ-MSJ03080.txt
new file mode 100644
index 00000000000..14c143da422
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ03080.txt
@@ -0,0 +1,48 @@
+ACCESSION: MSBNK-MSSJ-MSJ03080
+RECORD_TITLE: Sulpiride; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 30 V; [M+HCO2]-
+DATE: 2023.04.05
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230406-1.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Sulpiride
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C15H23N3O4S
+CH$EXACT_MASS: 341.140916
+CH$SMILES: CCN1CCCC1CNC(=O)C2=C(C=CC(=C2)S(=O)(=O)N)OC
+CH$IUPAC: InChI=1S/C15H23N3O4S/c1-3-18-8-4-5-11(18)10-17-15(19)13-9-12(23(16,20)21)6-7-14(13)22-2/h6-7,9,11H,3-5,8,10H2,1-2H3,(H,17,19)(H2,16,20,21)
+CH$LINK: CAS 15676-16-1
+CH$LINK: CHEMSPIDER 5162
+CH$LINK: INCHIKEY BGRJTUBHPOOWDU-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:5355
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 3.846 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 386.139119
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+HCO2]-
+PK$SPLASH: splash10-0a4i-1901000000-33ead4bdfdc53c0b27b9
+PK$NUM_PEAK: 11
+PK$PEAK: m/z int. rel.int.
+  45.2 869 25
+  62.1 437 13
+  78.1 1058 31
+  80.1 3735 109
+  92.3 437 13
+  121.4 437 13
+  156.0 34147 999
+  185.9 1398 41
+  261.2 930 27
+  340.2 3365 98
+  353.4 1094 32
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ03081.txt b/MSSJ/MSBNK-MSSJ-MSJ03081.txt
new file mode 100644
index 00000000000..4fd7258e312
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ03081.txt
@@ -0,0 +1,46 @@
+ACCESSION: MSBNK-MSSJ-MSJ03081
+RECORD_TITLE: Sulpiride; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 40 V; [M+HCO2]-
+DATE: 2023.04.05
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230406-1.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Sulpiride
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C15H23N3O4S
+CH$EXACT_MASS: 341.140916
+CH$SMILES: CCN1CCCC1CNC(=O)C2=C(C=CC(=C2)S(=O)(=O)N)OC
+CH$IUPAC: InChI=1S/C15H23N3O4S/c1-3-18-8-4-5-11(18)10-17-15(19)13-9-12(23(16,20)21)6-7-14(13)22-2/h6-7,9,11H,3-5,8,10H2,1-2H3,(H,17,19)(H2,16,20,21)
+CH$LINK: CAS 15676-16-1
+CH$LINK: CHEMSPIDER 5162
+CH$LINK: INCHIKEY BGRJTUBHPOOWDU-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:5355
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 3.846 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 386.139119
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+HCO2]-
+PK$SPLASH: splash10-0a4i-1900000000-ea6c41d2e66eb3d4d156
+PK$NUM_PEAK: 9
+PK$PEAK: m/z int. rel.int.
+  45.3 824 34
+  62.3 363 15
+  78.0 437 18
+  80.1 2858 119
+  122.1 424 18
+  139.8 626 26
+  156.0 24084 999
+  261.2 1670 69
+  340.1 1805 75
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ03082.txt b/MSSJ/MSBNK-MSSJ-MSJ03082.txt
new file mode 100644
index 00000000000..ca47bc66d2a
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ03082.txt
@@ -0,0 +1,50 @@
+ACCESSION: MSBNK-MSSJ-MSJ03082
+RECORD_TITLE: Sulpiride; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 50 V; [M+HCO2]-
+DATE: 2023.04.05
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230406-1.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Sulpiride
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C15H23N3O4S
+CH$EXACT_MASS: 341.140916
+CH$SMILES: CCN1CCCC1CNC(=O)C2=C(C=CC(=C2)S(=O)(=O)N)OC
+CH$IUPAC: InChI=1S/C15H23N3O4S/c1-3-18-8-4-5-11(18)10-17-15(19)13-9-12(23(16,20)21)6-7-14(13)22-2/h6-7,9,11H,3-5,8,10H2,1-2H3,(H,17,19)(H2,16,20,21)
+CH$LINK: CAS 15676-16-1
+CH$LINK: CHEMSPIDER 5162
+CH$LINK: INCHIKEY BGRJTUBHPOOWDU-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:5355
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 3.846 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 386.139119
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+HCO2]-
+PK$SPLASH: splash10-053r-9600000000-f3da25687d3a1e9b5e82
+PK$NUM_PEAK: 13
+PK$PEAK: m/z int. rel.int.
+  45.3 1074 133
+  62.2 437 54
+  64.2 875 108
+  78.5 434 54
+  80.1 8066 999
+  92.1 218 27
+  93.1 218 27
+  104.1 627 78
+  120.1 796 99
+  140.0 710 88
+  156.0 6008 744
+  261.3 218 27
+  339.8 437 54
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ03083.txt b/MSSJ/MSBNK-MSSJ-MSJ03083.txt
new file mode 100644
index 00000000000..822309ab62e
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ03083.txt
@@ -0,0 +1,38 @@
+ACCESSION: MSBNK-MSSJ-MSJ03083
+RECORD_TITLE: Secobarbital; LC-ESI-QQ; MS; ESI; NEGATIVE
+DATE: 2023.04.05
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230406-2.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Secobarbital
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C12H18N2O3
+CH$EXACT_MASS: 238.131735
+CH$SMILES: CCCC(C)C1(C(=O)NC(=O)NC1=O)CC=C
+CH$IUPAC: InChI=1S/C12H18N2O3/c1-4-6-8(3)12(7-5-2)9(15)13-11(17)14-10(12)16/h5,8H,2,4,6-7H2,1,3H3,(H2,13,14,15,16,17)
+CH$LINK: CAS 76-73-3
+CH$LINK: CHEMSPIDER 5005
+CH$LINK: INCHIKEY KQPKPCNLIDLUMF-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:5193
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.845 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+PK$SPLASH: splash10-000i-0090000000-dd2a84836affa02b482e
+PK$NUM_PEAK: 5
+PK$PEAK: m/z int. rel.int.
+  237.1 4900282 999
+  238.1 625753 128
+  239.1 82664 17
+  305.1 171520 35
+  497.2 69134 14
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ03084.txt b/MSSJ/MSBNK-MSSJ-MSJ03084.txt
new file mode 100644
index 00000000000..d9441a8412f
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ03084.txt
@@ -0,0 +1,41 @@
+ACCESSION: MSBNK-MSSJ-MSJ03084
+RECORD_TITLE: Secobarbital; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 10 V; [M-H]-
+DATE: 2023.04.05
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230406-2.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Secobarbital
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C12H18N2O3
+CH$EXACT_MASS: 238.131735
+CH$SMILES: CCCC(C)C1(C(=O)NC(=O)NC1=O)CC=C
+CH$IUPAC: InChI=1S/C12H18N2O3/c1-4-6-8(3)12(7-5-2)9(15)13-11(17)14-10(12)16/h5,8H,2,4,6-7H2,1,3H3,(H2,13,14,15,16,17)
+CH$LINK: CAS 76-73-3
+CH$LINK: CHEMSPIDER 5005
+CH$LINK: INCHIKEY KQPKPCNLIDLUMF-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:5193
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.845 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 237.124458
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+PK$SPLASH: splash10-000i-0090000000-a562f586e3c437d1597a
+PK$NUM_PEAK: 4
+PK$PEAK: m/z int. rel.int.
+  42.1 40253 33
+  85.1 16021 13
+  194.1 126545 104
+  237.1 1211534 999
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ03085.txt b/MSSJ/MSBNK-MSSJ-MSJ03085.txt
new file mode 100644
index 00000000000..633aded7a28
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ03085.txt
@@ -0,0 +1,43 @@
+ACCESSION: MSBNK-MSSJ-MSJ03085
+RECORD_TITLE: Secobarbital; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 20 V; [M-H]-
+DATE: 2023.04.05
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230406-2.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Secobarbital
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C12H18N2O3
+CH$EXACT_MASS: 238.131735
+CH$SMILES: CCCC(C)C1(C(=O)NC(=O)NC1=O)CC=C
+CH$IUPAC: InChI=1S/C12H18N2O3/c1-4-6-8(3)12(7-5-2)9(15)13-11(17)14-10(12)16/h5,8H,2,4,6-7H2,1,3H3,(H2,13,14,15,16,17)
+CH$LINK: CAS 76-73-3
+CH$LINK: CHEMSPIDER 5005
+CH$LINK: INCHIKEY KQPKPCNLIDLUMF-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:5193
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.845 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 237.124458
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+PK$SPLASH: splash10-0006-9110000000-245f9ec50d918860d154
+PK$NUM_PEAK: 6
+PK$PEAK: m/z int. rel.int.
+  42.1 156489 999
+  85.0 8040 51
+  150.1 2052 13
+  166.9 2236 14
+  194.1 18833 120
+  237.1 29820 190
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ03086.txt b/MSSJ/MSBNK-MSSJ-MSJ03086.txt
new file mode 100644
index 00000000000..d737ab84c63
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ03086.txt
@@ -0,0 +1,40 @@
+ACCESSION: MSBNK-MSSJ-MSJ03086
+RECORD_TITLE: Secobarbital; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 30 V; [M-H]-
+DATE: 2023.04.05
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230406-2.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Secobarbital
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C12H18N2O3
+CH$EXACT_MASS: 238.131735
+CH$SMILES: CCCC(C)C1(C(=O)NC(=O)NC1=O)CC=C
+CH$IUPAC: InChI=1S/C12H18N2O3/c1-4-6-8(3)12(7-5-2)9(15)13-11(17)14-10(12)16/h5,8H,2,4,6-7H2,1,3H3,(H2,13,14,15,16,17)
+CH$LINK: CAS 76-73-3
+CH$LINK: CHEMSPIDER 5005
+CH$LINK: INCHIKEY KQPKPCNLIDLUMF-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:5193
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.845 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 237.124458
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+PK$SPLASH: splash10-0006-9000000000-746cf6ce172dc8e45b68
+PK$NUM_PEAK: 3
+PK$PEAK: m/z int. rel.int.
+  42.1 117450 999
+  85.1 1785 15
+  237.0 2506 21
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ03087.txt b/MSSJ/MSBNK-MSSJ-MSJ03087.txt
new file mode 100644
index 00000000000..d809727969d
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ03087.txt
@@ -0,0 +1,39 @@
+ACCESSION: MSBNK-MSSJ-MSJ03087
+RECORD_TITLE: Secobarbital; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 40 V; [M-H]-
+DATE: 2023.04.05
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230406-2.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Secobarbital
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C12H18N2O3
+CH$EXACT_MASS: 238.131735
+CH$SMILES: CCCC(C)C1(C(=O)NC(=O)NC1=O)CC=C
+CH$IUPAC: InChI=1S/C12H18N2O3/c1-4-6-8(3)12(7-5-2)9(15)13-11(17)14-10(12)16/h5,8H,2,4,6-7H2,1,3H3,(H2,13,14,15,16,17)
+CH$LINK: CAS 76-73-3
+CH$LINK: CHEMSPIDER 5005
+CH$LINK: INCHIKEY KQPKPCNLIDLUMF-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:5193
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.845 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 237.124458
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+PK$SPLASH: splash10-0006-9000000000-a8e354e70e3abb862ad4
+PK$NUM_PEAK: 2
+PK$PEAK: m/z int. rel.int.
+  42.1 88354 999
+  237.2 1160 13
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ03088.txt b/MSSJ/MSBNK-MSSJ-MSJ03088.txt
new file mode 100644
index 00000000000..92cb1e4e0ca
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ03088.txt
@@ -0,0 +1,39 @@
+ACCESSION: MSBNK-MSSJ-MSJ03088
+RECORD_TITLE: Secobarbital; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 50 V; [M-H]-
+DATE: 2023.04.05
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230406-2.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Secobarbital
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C12H18N2O3
+CH$EXACT_MASS: 238.131735
+CH$SMILES: CCCC(C)C1(C(=O)NC(=O)NC1=O)CC=C
+CH$IUPAC: InChI=1S/C12H18N2O3/c1-4-6-8(3)12(7-5-2)9(15)13-11(17)14-10(12)16/h5,8H,2,4,6-7H2,1,3H3,(H2,13,14,15,16,17)
+CH$LINK: CAS 76-73-3
+CH$LINK: CHEMSPIDER 5005
+CH$LINK: INCHIKEY KQPKPCNLIDLUMF-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:5193
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.845 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 237.124458
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+PK$SPLASH: splash10-0006-9000000000-78c15e1181945533763f
+PK$NUM_PEAK: 2
+PK$PEAK: m/z int. rel.int.
+  42.1 60729 999
+  80.0 698 11
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ03089.txt b/MSSJ/MSBNK-MSSJ-MSJ03089.txt
new file mode 100644
index 00000000000..464b3f9555e
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ03089.txt
@@ -0,0 +1,40 @@
+ACCESSION: MSBNK-MSSJ-MSJ03089
+RECORD_TITLE: Zotepine; LC-ESI-QQ; MS; ESI; POSITIVE
+DATE: 2023.04.05
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230406-2.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Zotepine
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C18H18ClNOS
+CH$EXACT_MASS: 331.079759
+CH$SMILES: CN(C)CCOC1=CC2=CC=CC=C2SC3=C1C=C(C=C3)Cl
+CH$IUPAC: InChI=1S/C18H18ClNOS/c1-20(2)9-10-21-16-11-13-5-3-4-6-17(13)22-18-8-7-14(19)12-15(16)18/h3-8,11-12H,9-10H2,1-2H3
+CH$LINK: CAS 26615-21-4
+CH$LINK: CHEMSPIDER 5534
+CH$LINK: INCHIKEY HDOZVRUNCMBHFH-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:5736
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.629 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+PK$SPLASH: splash10-001i-0009000000-682d31d73ee615e14550
+PK$NUM_PEAK: 7
+PK$PEAK: m/z int. rel.int.
+  332.2 4421580 999
+  333.2 785821 178
+  334.2 1698143 384
+  335.2 350466 79
+  336.2 67218 15
+  346.2 66320 15
+  389.3 60727 14
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ03090.txt b/MSSJ/MSBNK-MSSJ-MSJ03090.txt
new file mode 100644
index 00000000000..6f035c6026d
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ03090.txt
@@ -0,0 +1,42 @@
+ACCESSION: MSBNK-MSSJ-MSJ03090
+RECORD_TITLE: Zotepine; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 10 V; [M+H]+
+DATE: 2023.04.05
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230406-2.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Zotepine
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C18H18ClNOS
+CH$EXACT_MASS: 331.079759
+CH$SMILES: CN(C)CCOC1=CC2=CC=CC=C2SC3=C1C=C(C=C3)Cl
+CH$IUPAC: InChI=1S/C18H18ClNOS/c1-20(2)9-10-21-16-11-13-5-3-4-6-17(13)22-18-8-7-14(19)12-15(16)18/h3-8,11-12H,9-10H2,1-2H3
+CH$LINK: CAS 26615-21-4
+CH$LINK: CHEMSPIDER 5534
+CH$LINK: INCHIKEY HDOZVRUNCMBHFH-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:5736
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.629 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 332.087036
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-0089-8009000000-90d5d56d070eb9fbd8d5
+PK$NUM_PEAK: 5
+PK$PEAK: m/z int. rel.int.
+  72.3 78886 970
+  91.2 1089 13
+  223.2 2438 30
+  315.4 2930 36
+  332.2 81248 999
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ03091.txt b/MSSJ/MSBNK-MSSJ-MSJ03091.txt
new file mode 100644
index 00000000000..e60df3a2199
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ03091.txt
@@ -0,0 +1,43 @@
+ACCESSION: MSBNK-MSSJ-MSJ03091
+RECORD_TITLE: Zotepine; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 20 V; [M+H]+
+DATE: 2023.04.05
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230406-2.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Zotepine
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C18H18ClNOS
+CH$EXACT_MASS: 331.079759
+CH$SMILES: CN(C)CCOC1=CC2=CC=CC=C2SC3=C1C=C(C=C3)Cl
+CH$IUPAC: InChI=1S/C18H18ClNOS/c1-20(2)9-10-21-16-11-13-5-3-4-6-17(13)22-18-8-7-14(19)12-15(16)18/h3-8,11-12H,9-10H2,1-2H3
+CH$LINK: CAS 26615-21-4
+CH$LINK: CHEMSPIDER 5534
+CH$LINK: INCHIKEY HDOZVRUNCMBHFH-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:5736
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.629 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 332.087036
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-00di-9000000000-660e19b3d990609688be
+PK$NUM_PEAK: 6
+PK$PEAK: m/z int. rel.int.
+  44.2 1670 13
+  57.3 1787 14
+  70.4 2244 17
+  72.3 130147 999
+  111.0 1634 13
+  332.3 1844 14
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ03092.txt b/MSSJ/MSBNK-MSSJ-MSJ03092.txt
new file mode 100644
index 00000000000..d49203c9baf
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ03092.txt
@@ -0,0 +1,42 @@
+ACCESSION: MSBNK-MSSJ-MSJ03092
+RECORD_TITLE: Zotepine; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 30 V; [M+H]+
+DATE: 2023.04.05
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230406-2.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Zotepine
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C18H18ClNOS
+CH$EXACT_MASS: 331.079759
+CH$SMILES: CN(C)CCOC1=CC2=CC=CC=C2SC3=C1C=C(C=C3)Cl
+CH$IUPAC: InChI=1S/C18H18ClNOS/c1-20(2)9-10-21-16-11-13-5-3-4-6-17(13)22-18-8-7-14(19)12-15(16)18/h3-8,11-12H,9-10H2,1-2H3
+CH$LINK: CAS 26615-21-4
+CH$LINK: CHEMSPIDER 5534
+CH$LINK: INCHIKEY HDOZVRUNCMBHFH-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:5736
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.629 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 332.087036
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-00di-9000000000-6aa3eef4b15005415ab4
+PK$NUM_PEAK: 5
+PK$PEAK: m/z int. rel.int.
+  42.4 1491 13
+  44.3 7252 61
+  57.2 4282 36
+  70.2 11036 93
+  72.3 118421 999
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ03093.txt b/MSSJ/MSBNK-MSSJ-MSJ03093.txt
new file mode 100644
index 00000000000..3d4b10f9f4a
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ03093.txt
@@ -0,0 +1,48 @@
+ACCESSION: MSBNK-MSSJ-MSJ03093
+RECORD_TITLE: Zotepine; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 40 V; [M+H]+
+DATE: 2023.04.05
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230406-2.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Zotepine
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C18H18ClNOS
+CH$EXACT_MASS: 331.079759
+CH$SMILES: CN(C)CCOC1=CC2=CC=CC=C2SC3=C1C=C(C=C3)Cl
+CH$IUPAC: InChI=1S/C18H18ClNOS/c1-20(2)9-10-21-16-11-13-5-3-4-6-17(13)22-18-8-7-14(19)12-15(16)18/h3-8,11-12H,9-10H2,1-2H3
+CH$LINK: CAS 26615-21-4
+CH$LINK: CHEMSPIDER 5534
+CH$LINK: INCHIKEY HDOZVRUNCMBHFH-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:5736
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.629 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 332.087036
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-00di-9000000000-4f02f0258f68ab5aa2d1
+PK$NUM_PEAK: 11
+PK$PEAK: m/z int. rel.int.
+  42.3 6449 87
+  44.3 14664 198
+  45.1 1396 19
+  55.3 1770 24
+  56.1 2037 27
+  57.2 5371 72
+  70.3 9430 127
+  72.3 74036 999
+  91.2 1088 15
+  133.2 1089 15
+  231.1 838 11
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ03094.txt b/MSSJ/MSBNK-MSSJ-MSJ03094.txt
new file mode 100644
index 00000000000..0585febc277
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ03094.txt
@@ -0,0 +1,53 @@
+ACCESSION: MSBNK-MSSJ-MSJ03094
+RECORD_TITLE: Zotepine; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 50 V; [M+H]+
+DATE: 2023.04.05
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230406-2.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Zotepine
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C18H18ClNOS
+CH$EXACT_MASS: 331.079759
+CH$SMILES: CN(C)CCOC1=CC2=CC=CC=C2SC3=C1C=C(C=C3)Cl
+CH$IUPAC: InChI=1S/C18H18ClNOS/c1-20(2)9-10-21-16-11-13-5-3-4-6-17(13)22-18-8-7-14(19)12-15(16)18/h3-8,11-12H,9-10H2,1-2H3
+CH$LINK: CAS 26615-21-4
+CH$LINK: CHEMSPIDER 5534
+CH$LINK: INCHIKEY HDOZVRUNCMBHFH-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:5736
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.629 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 332.087036
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-00dl-9000000000-4290ef1f173a3de08fef
+PK$NUM_PEAK: 16
+PK$PEAK: m/z int. rel.int.
+  29.4 779 20
+  30.3 544 14
+  39.3 544 14
+  41.3 649 17
+  42.3 10557 271
+  44.3 22132 568
+  45.5 1040 27
+  56.3 4305 110
+  57.2 8291 213
+  70.3 6151 158
+  72.3 38923 999
+  91.1 461 12
+  146.1 1089 28
+  164.0 1089 28
+  198.8 544 14
+  207.1 991 25
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ03095.txt b/MSSJ/MSBNK-MSSJ-MSJ03095.txt
new file mode 100644
index 00000000000..b235cdda92d
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ03095.txt
@@ -0,0 +1,47 @@
+ACCESSION: MSBNK-MSSJ-MSJ03095
+RECORD_TITLE: Zonisamide; LC-ESI-QQ; MS; ESI; POSITIVE
+DATE: 2023.04.05
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230406-2.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Zonisamide
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C8H8N2O3S
+CH$EXACT_MASS: 212.025556
+CH$SMILES: C1=CC=C2C(=C1)C(=NO2)CS(=O)(=O)N
+CH$IUPAC: InChI=1S/C8H8N2O3S/c9-14(11,12)5-7-6-3-1-2-4-8(6)13-10-7/h1-4H,5H2,(H2,9,11,12)
+CH$LINK: CAS 68291-97-4
+CH$LINK: CHEMSPIDER 5532
+CH$LINK: INCHIKEY UBQNRHZMVUUOMG-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:5734
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 5.965 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+PK$SPLASH: splash10-03di-0090000000-24ef4e0979271904b050
+PK$NUM_PEAK: 14
+PK$PEAK: m/z int. rel.int.
+  213.1 1268283 999
+  214.1 108875 86
+  215.1 66192 52
+  219.1 22878 18
+  230.1 437504 345
+  231.2 49922 39
+  232.2 24817 20
+  235.1 544229 429
+  236.1 53300 42
+  237.1 30026 24
+  251.1 132520 104
+  252.1 13383 11
+  253.1 15461 12
+  447.2 26328 21
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ03096.txt b/MSSJ/MSBNK-MSSJ-MSJ03096.txt
new file mode 100644
index 00000000000..cb9a0c8e1b4
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ03096.txt
@@ -0,0 +1,41 @@
+ACCESSION: MSBNK-MSSJ-MSJ03096
+RECORD_TITLE: Zonisamide; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 10 V; [M+H]+
+DATE: 2023.04.05
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230406-2.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Zonisamide
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C8H8N2O3S
+CH$EXACT_MASS: 212.025556
+CH$SMILES: C1=CC=C2C(=C1)C(=NO2)CS(=O)(=O)N
+CH$IUPAC: InChI=1S/C8H8N2O3S/c9-14(11,12)5-7-6-3-1-2-4-8(6)13-10-7/h1-4H,5H2,(H2,9,11,12)
+CH$LINK: CAS 68291-97-4
+CH$LINK: CHEMSPIDER 5532
+CH$LINK: INCHIKEY UBQNRHZMVUUOMG-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:5734
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 5.965 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 213.032833
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-03e9-0590000000-7d552ece76d47f237ff9
+PK$NUM_PEAK: 4
+PK$PEAK: m/z int. rel.int.
+  120.2 7063 14
+  132.2 288985 580
+  149.2 27988 56
+  213.1 497331 999
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ03097.txt b/MSSJ/MSBNK-MSSJ-MSJ03097.txt
new file mode 100644
index 00000000000..e25638e92c8
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ03097.txt
@@ -0,0 +1,45 @@
+ACCESSION: MSBNK-MSSJ-MSJ03097
+RECORD_TITLE: Zonisamide; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 20 V; [M+H]+
+DATE: 2023.04.05
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230406-2.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Zonisamide
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C8H8N2O3S
+CH$EXACT_MASS: 212.025556
+CH$SMILES: C1=CC=C2C(=C1)C(=NO2)CS(=O)(=O)N
+CH$IUPAC: InChI=1S/C8H8N2O3S/c9-14(11,12)5-7-6-3-1-2-4-8(6)13-10-7/h1-4H,5H2,(H2,9,11,12)
+CH$LINK: CAS 68291-97-4
+CH$LINK: CHEMSPIDER 5532
+CH$LINK: INCHIKEY UBQNRHZMVUUOMG-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:5734
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 5.965 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 213.032833
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-001i-1900000000-52bc1bc9cde41e6b5b27
+PK$NUM_PEAK: 8
+PK$PEAK: m/z int. rel.int.
+  77.2 74060 179
+  102.2 24002 58
+  104.2 39522 96
+  105.2 18827 46
+  120.2 7988 19
+  132.2 413309 999
+  149.2 6693 16
+  213.1 24531 59
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ03098.txt b/MSSJ/MSBNK-MSSJ-MSJ03098.txt
new file mode 100644
index 00000000000..a20c8f3bc47
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ03098.txt
@@ -0,0 +1,46 @@
+ACCESSION: MSBNK-MSSJ-MSJ03098
+RECORD_TITLE: Zonisamide; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 30 V; [M+H]+
+DATE: 2023.04.05
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230406-2.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Zonisamide
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C8H8N2O3S
+CH$EXACT_MASS: 212.025556
+CH$SMILES: C1=CC=C2C(=C1)C(=NO2)CS(=O)(=O)N
+CH$IUPAC: InChI=1S/C8H8N2O3S/c9-14(11,12)5-7-6-3-1-2-4-8(6)13-10-7/h1-4H,5H2,(H2,9,11,12)
+CH$LINK: CAS 68291-97-4
+CH$LINK: CHEMSPIDER 5532
+CH$LINK: INCHIKEY UBQNRHZMVUUOMG-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:5734
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 5.965 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 213.032833
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-004i-9700000000-019042eadcce03025aac
+PK$NUM_PEAK: 9
+PK$PEAK: m/z int. rel.int.
+  51.3 13981 51
+  75.2 3718 14
+  77.2 273127 999
+  78.3 5890 22
+  92.2 5485 20
+  102.2 71524 262
+  104.2 49649 182
+  105.1 24435 89
+  132.2 93756 343
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ03099.txt b/MSSJ/MSBNK-MSSJ-MSJ03099.txt
new file mode 100644
index 00000000000..74398bcee73
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ03099.txt
@@ -0,0 +1,47 @@
+ACCESSION: MSBNK-MSSJ-MSJ03099
+RECORD_TITLE: Zonisamide; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 40 V; [M+H]+
+DATE: 2023.04.05
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230406-2.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Zonisamide
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C8H8N2O3S
+CH$EXACT_MASS: 212.025556
+CH$SMILES: C1=CC=C2C(=C1)C(=NO2)CS(=O)(=O)N
+CH$IUPAC: InChI=1S/C8H8N2O3S/c9-14(11,12)5-7-6-3-1-2-4-8(6)13-10-7/h1-4H,5H2,(H2,9,11,12)
+CH$LINK: CAS 68291-97-4
+CH$LINK: CHEMSPIDER 5532
+CH$LINK: INCHIKEY UBQNRHZMVUUOMG-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:5734
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 5.965 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 213.032833
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-0fb9-9200000000-f7a0e42613b8a6b34cef
+PK$NUM_PEAK: 10
+PK$PEAK: m/z int. rel.int.
+  51.2 69905 317
+  75.2 10605 48
+  76.2 2311 10
+  77.2 220212 999
+  78.2 14386 65
+  92.3 7952 36
+  102.2 42268 192
+  104.2 17973 82
+  105.2 6908 31
+  132.1 17210 78
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ03100.txt b/MSSJ/MSBNK-MSSJ-MSJ03100.txt
new file mode 100644
index 00000000000..a23f8ddcc51
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ03100.txt
@@ -0,0 +1,52 @@
+ACCESSION: MSBNK-MSSJ-MSJ03100
+RECORD_TITLE: Zonisamide; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 50 V; [M+H]+
+DATE: 2023.04.05
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230406-2.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Zonisamide
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C8H8N2O3S
+CH$EXACT_MASS: 212.025556
+CH$SMILES: C1=CC=C2C(=C1)C(=NO2)CS(=O)(=O)N
+CH$IUPAC: InChI=1S/C8H8N2O3S/c9-14(11,12)5-7-6-3-1-2-4-8(6)13-10-7/h1-4H,5H2,(H2,9,11,12)
+CH$LINK: CAS 68291-97-4
+CH$LINK: CHEMSPIDER 5532
+CH$LINK: INCHIKEY UBQNRHZMVUUOMG-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:5734
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 5.965 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 213.032833
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-0ufr-9100000000-ab93824925d1153bae32
+PK$NUM_PEAK: 15
+PK$PEAK: m/z int. rel.int.
+  50.3 4904 38
+  51.2 127305 999
+  56.2 1277 10
+  63.2 3663 29
+  64.2 4499 35
+  74.2 3228 25
+  75.3 12513 98
+  76.2 11201 88
+  77.2 121394 953
+  78.2 13655 107
+  92.0 3455 27
+  102.2 13857 109
+  104.2 8948 70
+  105.0 3215 25
+  132.1 9441 74
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ03102.txt b/MSSJ/MSBNK-MSSJ-MSJ03102.txt
new file mode 100644
index 00000000000..24f1c0fb7fc
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ03102.txt
@@ -0,0 +1,46 @@
+ACCESSION: MSBNK-MSSJ-MSJ03102
+RECORD_TITLE: Zonisamide; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 20 V; [M+NH4]+
+DATE: 2023.04.05
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230406-2.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Zonisamide
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C8H8N2O3S
+CH$EXACT_MASS: 212.025556
+CH$SMILES: C1=CC=C2C(=C1)C(=NO2)CS(=O)(=O)N
+CH$IUPAC: InChI=1S/C8H8N2O3S/c9-14(11,12)5-7-6-3-1-2-4-8(6)13-10-7/h1-4H,5H2,(H2,9,11,12)
+CH$LINK: CAS 68291-97-4
+CH$LINK: CHEMSPIDER 5532
+CH$LINK: INCHIKEY UBQNRHZMVUUOMG-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:5734
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 5.965 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 230.059378
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+NH4]+
+PK$SPLASH: splash10-001i-0920000000-e838279229ce1ad02624
+PK$NUM_PEAK: 9
+PK$PEAK: m/z int. rel.int.
+  18.5 8424 15
+  77.2 17587 31
+  102.2 11510 20
+  104.2 20583 36
+  105.2 14495 25
+  120.2 20363 36
+  132.2 569983 999
+  149.2 23492 41
+  213.1 147129 258
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ03103.txt b/MSSJ/MSBNK-MSSJ-MSJ03103.txt
new file mode 100644
index 00000000000..74923b82a4f
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ03103.txt
@@ -0,0 +1,50 @@
+ACCESSION: MSBNK-MSSJ-MSJ03103
+RECORD_TITLE: Zonisamide; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 30 V; [M+NH4]+
+DATE: 2023.04.05
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230406-2.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Zonisamide
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C8H8N2O3S
+CH$EXACT_MASS: 212.025556
+CH$SMILES: C1=CC=C2C(=C1)C(=NO2)CS(=O)(=O)N
+CH$IUPAC: InChI=1S/C8H8N2O3S/c9-14(11,12)5-7-6-3-1-2-4-8(6)13-10-7/h1-4H,5H2,(H2,9,11,12)
+CH$LINK: CAS 68291-97-4
+CH$LINK: CHEMSPIDER 5532
+CH$LINK: INCHIKEY UBQNRHZMVUUOMG-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:5734
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 5.965 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 230.059378
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+NH4]+
+PK$SPLASH: splash10-0fai-5900000000-3a5c0737efccda1a75ff
+PK$NUM_PEAK: 13
+PK$PEAK: m/z int. rel.int.
+  18.3 13775 61
+  51.1 5659 25
+  77.2 189546 846
+  78.3 4943 22
+  92.1 3219 14
+  93.3 2373 11
+  102.2 50005 223
+  104.2 66137 295
+  105.2 28903 129
+  120.2 7414 33
+  132.2 223844 999
+  150.1 4303 19
+  213.1 7784 35
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ03104.txt b/MSSJ/MSBNK-MSSJ-MSJ03104.txt
new file mode 100644
index 00000000000..0ea8fa5f7f7
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ03104.txt
@@ -0,0 +1,51 @@
+ACCESSION: MSBNK-MSSJ-MSJ03104
+RECORD_TITLE: Zonisamide; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 40 V; [M+NH4]+
+DATE: 2023.04.05
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230406-2.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Zonisamide
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C8H8N2O3S
+CH$EXACT_MASS: 212.025556
+CH$SMILES: C1=CC=C2C(=C1)C(=NO2)CS(=O)(=O)N
+CH$IUPAC: InChI=1S/C8H8N2O3S/c9-14(11,12)5-7-6-3-1-2-4-8(6)13-10-7/h1-4H,5H2,(H2,9,11,12)
+CH$LINK: CAS 68291-97-4
+CH$LINK: CHEMSPIDER 5532
+CH$LINK: INCHIKEY UBQNRHZMVUUOMG-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:5734
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 5.965 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 230.059378
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+NH4]+
+PK$SPLASH: splash10-004i-9400000000-69cce32f3f8151b61ef8
+PK$NUM_PEAK: 14
+PK$PEAK: m/z int. rel.int.
+  18.4 17153 83
+  30.4 2489 12
+  50.2 2562 12
+  51.2 24356 118
+  75.1 6227 30
+  77.2 205611 999
+  78.2 9056 44
+  92.2 6771 33
+  102.2 52481 255
+  104.2 24429 119
+  105.2 11088 54
+  120.1 6904 34
+  132.2 46679 227
+  212.8 2193 11
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ03105.txt b/MSSJ/MSBNK-MSSJ-MSJ03105.txt
new file mode 100644
index 00000000000..5aa6c7e4e69
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ03105.txt
@@ -0,0 +1,54 @@
+ACCESSION: MSBNK-MSSJ-MSJ03105
+RECORD_TITLE: Zonisamide; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 50 V; [M+NH4]+
+DATE: 2023.04.05
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230406-2.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Zonisamide
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C8H8N2O3S
+CH$EXACT_MASS: 212.025556
+CH$SMILES: C1=CC=C2C(=C1)C(=NO2)CS(=O)(=O)N
+CH$IUPAC: InChI=1S/C8H8N2O3S/c9-14(11,12)5-7-6-3-1-2-4-8(6)13-10-7/h1-4H,5H2,(H2,9,11,12)
+CH$LINK: CAS 68291-97-4
+CH$LINK: CHEMSPIDER 5532
+CH$LINK: INCHIKEY UBQNRHZMVUUOMG-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:5734
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 5.965 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 230.059378
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+NH4]+
+PK$SPLASH: splash10-0fb9-9200000000-215288304aa30aacb50a
+PK$NUM_PEAK: 17
+PK$PEAK: m/z int. rel.int.
+  18.4 21083 178
+  30.2 1476 12
+  50.3 1358 11
+  51.2 59429 502
+  56.2 1823 15
+  63.1 1915 16
+  75.2 6735 57
+  77.2 118342 999
+  78.3 10216 86
+  90.1 1354 11
+  92.2 2835 24
+  102.2 22001 186
+  104.3 15189 128
+  105.2 2745 23
+  120.0 1272 11
+  128.5 1272 11
+  132.1 9858 83
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ03106.txt b/MSSJ/MSBNK-MSSJ-MSJ03106.txt
new file mode 100644
index 00000000000..d8192b278f2
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ03106.txt
@@ -0,0 +1,39 @@
+ACCESSION: MSBNK-MSSJ-MSJ03106
+RECORD_TITLE: Zonisamide; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 10 V; [M+Na]+
+DATE: 2023.04.05
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230406-2.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Zonisamide
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C8H8N2O3S
+CH$EXACT_MASS: 212.025556
+CH$SMILES: C1=CC=C2C(=C1)C(=NO2)CS(=O)(=O)N
+CH$IUPAC: InChI=1S/C8H8N2O3S/c9-14(11,12)5-7-6-3-1-2-4-8(6)13-10-7/h1-4H,5H2,(H2,9,11,12)
+CH$LINK: CAS 68291-97-4
+CH$LINK: CHEMSPIDER 5532
+CH$LINK: INCHIKEY UBQNRHZMVUUOMG-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:5734
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 5.965 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 235.014777
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+Na]+
+PK$SPLASH: splash10-000i-0090000000-aad3cac849ed2a03d1e8
+PK$NUM_PEAK: 2
+PK$PEAK: m/z int. rel.int.
+  23.3 9036 92
+  235.1 97417 999
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ03107.txt b/MSSJ/MSBNK-MSSJ-MSJ03107.txt
new file mode 100644
index 00000000000..9a728753bf8
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ03107.txt
@@ -0,0 +1,42 @@
+ACCESSION: MSBNK-MSSJ-MSJ03107
+RECORD_TITLE: Zonisamide; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 20 V; [M+Na]+
+DATE: 2023.04.05
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230406-2.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Zonisamide
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C8H8N2O3S
+CH$EXACT_MASS: 212.025556
+CH$SMILES: C1=CC=C2C(=C1)C(=NO2)CS(=O)(=O)N
+CH$IUPAC: InChI=1S/C8H8N2O3S/c9-14(11,12)5-7-6-3-1-2-4-8(6)13-10-7/h1-4H,5H2,(H2,9,11,12)
+CH$LINK: CAS 68291-97-4
+CH$LINK: CHEMSPIDER 5532
+CH$LINK: INCHIKEY UBQNRHZMVUUOMG-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:5734
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 5.965 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 235.014777
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+Na]+
+PK$SPLASH: splash10-00di-9010000000-f092110b436b3177c9b6
+PK$NUM_PEAK: 5
+PK$PEAK: m/z int. rel.int.
+  23.3 9558 999
+  117.1 184 19
+  142.9 184 19
+  188.2 184 19
+  235.0 1946 203
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ03108.txt b/MSSJ/MSBNK-MSSJ-MSJ03108.txt
new file mode 100644
index 00000000000..caa94396901
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ03108.txt
@@ -0,0 +1,41 @@
+ACCESSION: MSBNK-MSSJ-MSJ03108
+RECORD_TITLE: Zonisamide; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 30 V; [M+Na]+
+DATE: 2023.04.05
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230406-2.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Zonisamide
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C8H8N2O3S
+CH$EXACT_MASS: 212.025556
+CH$SMILES: C1=CC=C2C(=C1)C(=NO2)CS(=O)(=O)N
+CH$IUPAC: InChI=1S/C8H8N2O3S/c9-14(11,12)5-7-6-3-1-2-4-8(6)13-10-7/h1-4H,5H2,(H2,9,11,12)
+CH$LINK: CAS 68291-97-4
+CH$LINK: CHEMSPIDER 5532
+CH$LINK: INCHIKEY UBQNRHZMVUUOMG-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:5734
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 5.965 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 235.014777
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+Na]+
+PK$SPLASH: splash10-00di-9000000000-13badf111008342f94d0
+PK$NUM_PEAK: 4
+PK$PEAK: m/z int. rel.int.
+  23.3 13803 999
+  41.2 558 40
+  55.3 367 27
+  235.1 184 13
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ03109.txt b/MSSJ/MSBNK-MSSJ-MSJ03109.txt
new file mode 100644
index 00000000000..bc673ff8273
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ03109.txt
@@ -0,0 +1,43 @@
+ACCESSION: MSBNK-MSSJ-MSJ03109
+RECORD_TITLE: Zonisamide; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 40 V; [M+Na]+
+DATE: 2023.04.05
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230406-2.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Zonisamide
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C8H8N2O3S
+CH$EXACT_MASS: 212.025556
+CH$SMILES: C1=CC=C2C(=C1)C(=NO2)CS(=O)(=O)N
+CH$IUPAC: InChI=1S/C8H8N2O3S/c9-14(11,12)5-7-6-3-1-2-4-8(6)13-10-7/h1-4H,5H2,(H2,9,11,12)
+CH$LINK: CAS 68291-97-4
+CH$LINK: CHEMSPIDER 5532
+CH$LINK: INCHIKEY UBQNRHZMVUUOMG-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:5734
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 5.965 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 235.014777
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+Na]+
+PK$SPLASH: splash10-00di-9000000000-74e414bbffa911ffd952
+PK$NUM_PEAK: 6
+PK$PEAK: m/z int. rel.int.
+  23.3 11209 999
+  42.1 147 13
+  43.3 367 33
+  52.3 184 16
+  85.5 367 33
+  151.0 367 33
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ03110.txt b/MSSJ/MSBNK-MSSJ-MSJ03110.txt
new file mode 100644
index 00000000000..a12996962b0
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ03110.txt
@@ -0,0 +1,42 @@
+ACCESSION: MSBNK-MSSJ-MSJ03110
+RECORD_TITLE: Zonisamide; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 50 V; [M+Na]+
+DATE: 2023.04.05
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230406-2.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Zonisamide
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C8H8N2O3S
+CH$EXACT_MASS: 212.025556
+CH$SMILES: C1=CC=C2C(=C1)C(=NO2)CS(=O)(=O)N
+CH$IUPAC: InChI=1S/C8H8N2O3S/c9-14(11,12)5-7-6-3-1-2-4-8(6)13-10-7/h1-4H,5H2,(H2,9,11,12)
+CH$LINK: CAS 68291-97-4
+CH$LINK: CHEMSPIDER 5532
+CH$LINK: INCHIKEY UBQNRHZMVUUOMG-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:5734
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 5.965 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 235.014777
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+Na]+
+PK$SPLASH: splash10-00di-9000000000-3475acffbfc02b3a4eed
+PK$NUM_PEAK: 5
+PK$PEAK: m/z int. rel.int.
+  22.3 167 15
+  23.3 10964 999
+  50.9 184 17
+  215.6 367 33
+  234.5 367 33
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ03111.txt b/MSSJ/MSBNK-MSSJ-MSJ03111.txt
new file mode 100644
index 00000000000..87dd1c11e0f
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ03111.txt
@@ -0,0 +1,45 @@
+ACCESSION: MSBNK-MSSJ-MSJ03111
+RECORD_TITLE: Zonisamide; LC-ESI-QQ; MS; ESI; NEGATIVE
+DATE: 2023.04.05
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230406-2.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Zonisamide
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C8H8N2O3S
+CH$EXACT_MASS: 212.025556
+CH$SMILES: C1=CC=C2C(=C1)C(=NO2)CS(=O)(=O)N
+CH$IUPAC: InChI=1S/C8H8N2O3S/c9-14(11,12)5-7-6-3-1-2-4-8(6)13-10-7/h1-4H,5H2,(H2,9,11,12)
+CH$LINK: CAS 68291-97-4
+CH$LINK: CHEMSPIDER 5532
+CH$LINK: INCHIKEY UBQNRHZMVUUOMG-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:5734
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 5.965 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+PK$SPLASH: splash10-03di-0090000000-7f26390dcfbaf0edb3d9
+PK$NUM_PEAK: 12
+PK$PEAK: m/z int. rel.int.
+  118.1 28073 30
+  119.1 39971 43
+  120.0 9796 10
+  131.0 11606 12
+  147.1 54825 59
+  211.0 932139 999
+  212.0 94884 102
+  213.0 42432 45
+  247.0 177380 190
+  248.1 17887 19
+  249.0 68649 74
+  257.0 24567 26
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ03112.txt b/MSSJ/MSBNK-MSSJ-MSJ03112.txt
new file mode 100644
index 00000000000..ecc33bc1a70
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ03112.txt
@@ -0,0 +1,42 @@
+ACCESSION: MSBNK-MSSJ-MSJ03112
+RECORD_TITLE: Zonisamide; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 10 V; [M-H]-
+DATE: 2023.04.05
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230406-2.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Zonisamide
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C8H8N2O3S
+CH$EXACT_MASS: 212.025556
+CH$SMILES: C1=CC=C2C(=C1)C(=NO2)CS(=O)(=O)N
+CH$IUPAC: InChI=1S/C8H8N2O3S/c9-14(11,12)5-7-6-3-1-2-4-8(6)13-10-7/h1-4H,5H2,(H2,9,11,12)
+CH$LINK: CAS 68291-97-4
+CH$LINK: CHEMSPIDER 5532
+CH$LINK: INCHIKEY UBQNRHZMVUUOMG-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:5734
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 5.965 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 211.01827
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+PK$SPLASH: splash10-02ta-0950000000-c8eff69e13565ce61d2c
+PK$NUM_PEAK: 5
+PK$PEAK: m/z int. rel.int.
+  107.1 2997 11
+  118.1 84566 302
+  119.0 218097 780
+  147.1 163236 584
+  211.0 279438 999
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ03113.txt b/MSSJ/MSBNK-MSSJ-MSJ03113.txt
new file mode 100644
index 00000000000..d09811477a1
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ03113.txt
@@ -0,0 +1,47 @@
+ACCESSION: MSBNK-MSSJ-MSJ03113
+RECORD_TITLE: Zonisamide; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 20 V; [M-H]-
+DATE: 2023.04.05
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230406-2.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Zonisamide
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C8H8N2O3S
+CH$EXACT_MASS: 212.025556
+CH$SMILES: C1=CC=C2C(=C1)C(=NO2)CS(=O)(=O)N
+CH$IUPAC: InChI=1S/C8H8N2O3S/c9-14(11,12)5-7-6-3-1-2-4-8(6)13-10-7/h1-4H,5H2,(H2,9,11,12)
+CH$LINK: CAS 68291-97-4
+CH$LINK: CHEMSPIDER 5532
+CH$LINK: INCHIKEY UBQNRHZMVUUOMG-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:5734
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 5.965 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 211.01827
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+PK$SPLASH: splash10-014i-0900000000-7e8c5ff2f09164840c7c
+PK$NUM_PEAK: 10
+PK$PEAK: m/z int. rel.int.
+  64.1 2311 10
+  79.1 4263 19
+  90.0 2466 11
+  91.1 3136 14
+  93.1 9424 42
+  107.0 10151 45
+  118.1 128154 570
+  119.0 224509 999
+  147.0 23365 104
+  210.9 3960 18
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ03114.txt b/MSSJ/MSBNK-MSSJ-MSJ03114.txt
new file mode 100644
index 00000000000..cb77a085df6
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ03114.txt
@@ -0,0 +1,54 @@
+ACCESSION: MSBNK-MSSJ-MSJ03114
+RECORD_TITLE: Zonisamide; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 30 V; [M-H]-
+DATE: 2023.04.05
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230406-2.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Zonisamide
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C8H8N2O3S
+CH$EXACT_MASS: 212.025556
+CH$SMILES: C1=CC=C2C(=C1)C(=NO2)CS(=O)(=O)N
+CH$IUPAC: InChI=1S/C8H8N2O3S/c9-14(11,12)5-7-6-3-1-2-4-8(6)13-10-7/h1-4H,5H2,(H2,9,11,12)
+CH$LINK: CAS 68291-97-4
+CH$LINK: CHEMSPIDER 5532
+CH$LINK: INCHIKEY UBQNRHZMVUUOMG-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:5734
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 5.965 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 211.01827
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+PK$SPLASH: splash10-014i-3900000000-a558098388a6a26b028a
+PK$NUM_PEAK: 17
+PK$PEAK: m/z int. rel.int.
+  26.1 765 13
+  41.1 738 12
+  42.1 3284 54
+  62.1 1900 31
+  64.0 4712 78
+  65.0 1133 19
+  79.0 12523 207
+  80.1 883 15
+  90.1 8538 141
+  91.1 4013 66
+  93.1 17436 288
+  107.0 4845 80
+  117.1 24313 402
+  118.0 60463 999
+  119.0 49599 819
+  147.1 990 16
+  210.6 982 16
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ03115.txt b/MSSJ/MSBNK-MSSJ-MSJ03115.txt
new file mode 100644
index 00000000000..e4790dc9ed8
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ03115.txt
@@ -0,0 +1,67 @@
+ACCESSION: MSBNK-MSSJ-MSJ03115
+RECORD_TITLE: Zonisamide; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 40 V; [M-H]-
+DATE: 2023.04.05
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230406-2.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Zonisamide
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C8H8N2O3S
+CH$EXACT_MASS: 212.025556
+CH$SMILES: C1=CC=C2C(=C1)C(=NO2)CS(=O)(=O)N
+CH$IUPAC: InChI=1S/C8H8N2O3S/c9-14(11,12)5-7-6-3-1-2-4-8(6)13-10-7/h1-4H,5H2,(H2,9,11,12)
+CH$LINK: CAS 68291-97-4
+CH$LINK: CHEMSPIDER 5532
+CH$LINK: INCHIKEY UBQNRHZMVUUOMG-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:5734
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 5.965 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 211.01827
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+PK$SPLASH: splash10-016r-9400000000-bacb000405708ad4d5e7
+PK$NUM_PEAK: 30
+PK$PEAK: m/z int. rel.int.
+  26.3 455 30
+  40.9 1247 83
+  42.1 1277 85
+  42.9 306 20
+  48.1 427 28
+  50.1 724 48
+  62.1 4882 324
+  64.1 11420 759
+  65.0 4124 274
+  75.2 159 11
+  78.1 4399 292
+  79.1 14787 982
+  80.1 159 11
+  89.2 1288 86
+  90.1 5342 355
+  91.1 2540 169
+  91.9 833 55
+  93.1 8514 566
+  106.4 535 36
+  107.2 731 49
+  117.0 7297 485
+  118.1 15038 999
+  118.9 8063 536
+  129.8 318 21
+  131.3 1271 84
+  132.1 950 63
+  146.7 303 20
+  147.4 317 21
+  210.3 419 28
+  211.1 665 44
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ03116.txt b/MSSJ/MSBNK-MSSJ-MSJ03116.txt
new file mode 100644
index 00000000000..217cd1e5bc1
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ03116.txt
@@ -0,0 +1,59 @@
+ACCESSION: MSBNK-MSSJ-MSJ03116
+RECORD_TITLE: Zonisamide; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 50 V; [M-H]-
+DATE: 2023.04.05
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230406-2.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Zonisamide
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C8H8N2O3S
+CH$EXACT_MASS: 212.025556
+CH$SMILES: C1=CC=C2C(=C1)C(=NO2)CS(=O)(=O)N
+CH$IUPAC: InChI=1S/C8H8N2O3S/c9-14(11,12)5-7-6-3-1-2-4-8(6)13-10-7/h1-4H,5H2,(H2,9,11,12)
+CH$LINK: CAS 68291-97-4
+CH$LINK: CHEMSPIDER 5532
+CH$LINK: INCHIKEY UBQNRHZMVUUOMG-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:5734
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 5.965 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 211.01827
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+PK$SPLASH: splash10-03fr-9100000000-762d31fd3e448f818f59
+PK$NUM_PEAK: 22
+PK$PEAK: m/z int. rel.int.
+  41.0 1296 68
+  42.0 887 47
+  43.0 477 25
+  47.5 318 17
+  50.1 1679 88
+  62.0 5872 308
+  64.0 19038 999
+  65.1 2715 142
+  75.9 495 26
+  79.0 12643 663
+  88.0 318 17
+  90.1 2240 118
+  91.7 382 20
+  93.1 2742 144
+  106.3 318 17
+  114.8 318 17
+  117.9 2679 141
+  119.0 2815 148
+  146.3 318 17
+  147.1 476 25
+  210.3 495 26
+  211.3 360 19
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ03117.txt b/MSSJ/MSBNK-MSSJ-MSJ03117.txt
new file mode 100644
index 00000000000..787dce0bcdb
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ03117.txt
@@ -0,0 +1,37 @@
+ACCESSION: MSBNK-MSSJ-MSJ03117
+RECORD_TITLE: Talipexole; LC-ESI-QQ; MS; ESI; POSITIVE
+DATE: 2023.04.05
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230406-2.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Talipexole
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C10H15N3S
+CH$EXACT_MASS: 209.098656
+CH$SMILES: C=CCN1CCC2=C(CC1)SC(=N2)N
+CH$IUPAC: InChI=1S/C10H15N3S/c1-2-5-13-6-3-8-9(4-7-13)14-10(11)12-8/h2H,1,3-7H2,(H2,11,12)
+CH$LINK: CAS 101626-70-4
+CH$LINK: CHEMSPIDER 5181
+CH$LINK: INCHIKEY DHSSDEDRBUKTQY-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:5374
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.719 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+PK$SPLASH: splash10-03di-0090000000-66948754e42a08e32834
+PK$NUM_PEAK: 4
+PK$PEAK: m/z int. rel.int.
+  121.1 12795 15
+  210.2 872439 999
+  211.2 111458 128
+  212.2 44344 51
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ03118.txt b/MSSJ/MSBNK-MSSJ-MSJ03118.txt
new file mode 100644
index 00000000000..e80a56d67db
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ03118.txt
@@ -0,0 +1,45 @@
+ACCESSION: MSBNK-MSSJ-MSJ03118
+RECORD_TITLE: Talipexole; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 10 V; [M+H]+
+DATE: 2023.04.05
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230406-2.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Talipexole
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C10H15N3S
+CH$EXACT_MASS: 209.098656
+CH$SMILES: C=CCN1CCC2=C(CC1)SC(=N2)N
+CH$IUPAC: InChI=1S/C10H15N3S/c1-2-5-13-6-3-8-9(4-7-13)14-10(11)12-8/h2H,1,3-7H2,(H2,11,12)
+CH$LINK: CAS 101626-70-4
+CH$LINK: CHEMSPIDER 5181
+CH$LINK: INCHIKEY DHSSDEDRBUKTQY-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:5374
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.719 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 210.105933
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-03di-0190000000-f6964f5c3cb0f74be9bd
+PK$NUM_PEAK: 8
+PK$PEAK: m/z int. rel.int.
+  84.3 92249 99
+  127.2 14699 16
+  139.2 9895 11
+  141.2 21151 23
+  142.1 15942 17
+  153.2 31744 34
+  168.2 29478 32
+  210.2 928345 999
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ03119.txt b/MSSJ/MSBNK-MSSJ-MSJ03119.txt
new file mode 100644
index 00000000000..bc7bb432e71
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ03119.txt
@@ -0,0 +1,62 @@
+ACCESSION: MSBNK-MSSJ-MSJ03119
+RECORD_TITLE: Talipexole; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 20 V; [M+H]+
+DATE: 2023.04.05
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230406-2.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Talipexole
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C10H15N3S
+CH$EXACT_MASS: 209.098656
+CH$SMILES: C=CCN1CCC2=C(CC1)SC(=N2)N
+CH$IUPAC: InChI=1S/C10H15N3S/c1-2-5-13-6-3-8-9(4-7-13)14-10(11)12-8/h2H,1,3-7H2,(H2,11,12)
+CH$LINK: CAS 101626-70-4
+CH$LINK: CHEMSPIDER 5181
+CH$LINK: INCHIKEY DHSSDEDRBUKTQY-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:5374
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.719 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 210.105933
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-001i-7920000000-247fd1b4f6bb70417b1a
+PK$NUM_PEAK: 25
+PK$PEAK: m/z int. rel.int.
+  41.3 10857 34
+  42.3 10624 34
+  70.3 12208 39
+  82.2 8007 25
+  84.3 314543 999
+  93.3 3740 12
+  94.2 10522 33
+  96.2 10667 34
+  100.1 4780 15
+  109.3 8651 27
+  111.1 11320 36
+  113.1 8859 28
+  126.2 15549 49
+  127.2 85842 273
+  134.2 11141 35
+  139.1 49104 156
+  141.1 38268 122
+  142.2 87795 279
+  151.1 6413 20
+  153.2 50106 159
+  155.1 5919 19
+  168.1 34078 108
+  169.1 15725 50
+  193.2 3456 11
+  210.2 135377 430
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ03120.txt b/MSSJ/MSBNK-MSSJ-MSJ03120.txt
new file mode 100644
index 00000000000..b2e62ca3f41
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ03120.txt
@@ -0,0 +1,82 @@
+ACCESSION: MSBNK-MSSJ-MSJ03120
+RECORD_TITLE: Talipexole; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 30 V; [M+H]+
+DATE: 2023.04.05
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230406-2.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Talipexole
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C10H15N3S
+CH$EXACT_MASS: 209.098656
+CH$SMILES: C=CCN1CCC2=C(CC1)SC(=N2)N
+CH$IUPAC: InChI=1S/C10H15N3S/c1-2-5-13-6-3-8-9(4-7-13)14-10(11)12-8/h2H,1,3-7H2,(H2,11,12)
+CH$LINK: CAS 101626-70-4
+CH$LINK: CHEMSPIDER 5181
+CH$LINK: INCHIKEY DHSSDEDRBUKTQY-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:5374
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.719 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 210.105933
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-005c-6900000000-f91dadf61da3f0963bf0
+PK$NUM_PEAK: 45
+PK$PEAK: m/z int. rel.int.
+  39.3 8482 46
+  41.3 42163 228
+  42.3 16718 91
+  56.4 2203 12
+  59.2 2153 12
+  65.3 3463 19
+  67.2 12693 69
+  70.3 8323 45
+  77.2 14001 76
+  78.3 2156 12
+  79.2 2535 14
+  80.2 10682 58
+  81.2 3915 21
+  82.3 16816 91
+  84.3 122950 666
+  85.2 4437 24
+  86.2 2348 13
+  93.2 7474 40
+  94.2 10928 59
+  95.2 3109 17
+  96.1 2283 12
+  97.2 13536 73
+  99.2 9882 54
+  100.2 17378 94
+  108.2 2308 13
+  109.2 15156 82
+  110.3 2905 16
+  111.2 11845 64
+  112.1 2076 11
+  113.2 17901 97
+  114.2 5656 31
+  126.2 19043 103
+  127.2 184421 999
+  128.2 3652 20
+  134.2 10321 56
+  136.2 3365 18
+  139.1 28421 154
+  140.1 5705 31
+  141.1 37959 206
+  142.1 60158 326
+  151.1 2009 11
+  153.1 9297 50
+  168.2 3718 20
+  169.1 4736 26
+  210.1 4188 23
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ03121.txt b/MSSJ/MSBNK-MSSJ-MSJ03121.txt
new file mode 100644
index 00000000000..9b2507b1a1a
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ03121.txt
@@ -0,0 +1,86 @@
+ACCESSION: MSBNK-MSSJ-MSJ03121
+RECORD_TITLE: Talipexole; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 40 V; [M+H]+
+DATE: 2023.04.05
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230406-2.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Talipexole
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C10H15N3S
+CH$EXACT_MASS: 209.098656
+CH$SMILES: C=CCN1CCC2=C(CC1)SC(=N2)N
+CH$IUPAC: InChI=1S/C10H15N3S/c1-2-5-13-6-3-8-9(4-7-13)14-10(11)12-8/h2H,1,3-7H2,(H2,11,12)
+CH$LINK: CAS 101626-70-4
+CH$LINK: CHEMSPIDER 5181
+CH$LINK: INCHIKEY DHSSDEDRBUKTQY-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:5374
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.719 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 210.105933
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-004l-8900000000-bf9d23f2e4c58e1d19da
+PK$NUM_PEAK: 49
+PK$PEAK: m/z int. rel.int.
+  39.3 9616 86
+  41.3 58742 526
+  42.3 14345 128
+  43.2 2852 26
+  45.3 2604 23
+  51.1 1667 15
+  53.3 2130 19
+  55.3 5798 52
+  56.4 2856 26
+  59.2 6597 59
+  60.2 1312 12
+  65.3 7532 67
+  66.4 1236 11
+  67.3 6437 58
+  68.3 4867 44
+  69.1 1293 12
+  70.1 2432 22
+  71.2 2728 24
+  77.2 9786 88
+  78.2 1544 14
+  80.3 10870 97
+  81.3 7497 67
+  82.3 8471 76
+  84.3 16247 145
+  85.2 9340 84
+  86.3 4018 36
+  92.2 3201 29
+  93.2 5192 46
+  94.2 5627 50
+  95.2 2633 24
+  97.1 15690 140
+  99.2 4883 44
+  100.2 54804 491
+  109.3 5601 50
+  110.3 1341 12
+  111.1 1533 14
+  112.1 3245 29
+  113.2 8951 80
+  114.2 4313 39
+  119.2 1461 13
+  124.2 1125 10
+  127.2 111571 999
+  128.3 1710 15
+  139.1 13399 120
+  141.2 20816 186
+  142.2 12986 116
+  153.1 1772 16
+  169.3 1305 12
+  210.1 2181 20
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ03122.txt b/MSSJ/MSBNK-MSSJ-MSJ03122.txt
new file mode 100644
index 00000000000..a44f93b0832
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ03122.txt
@@ -0,0 +1,98 @@
+ACCESSION: MSBNK-MSSJ-MSJ03122
+RECORD_TITLE: Talipexole; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 50 V; [M+H]+
+DATE: 2023.04.05
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230406-2.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Talipexole
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C10H15N3S
+CH$EXACT_MASS: 209.098656
+CH$SMILES: C=CCN1CCC2=C(CC1)SC(=N2)N
+CH$IUPAC: InChI=1S/C10H15N3S/c1-2-5-13-6-3-8-9(4-7-13)14-10(11)12-8/h2H,1,3-7H2,(H2,11,12)
+CH$LINK: CAS 101626-70-4
+CH$LINK: CHEMSPIDER 5181
+CH$LINK: INCHIKEY DHSSDEDRBUKTQY-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:5374
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.719 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 210.105933
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-0f96-9400000000-f931c6165b5632720515
+PK$NUM_PEAK: 61
+PK$PEAK: m/z int. rel.int.
+  28.4 750 13
+  30.2 663 12
+  39.2 11540 205
+  41.3 36231 645
+  42.3 23487 418
+  43.3 4946 88
+  44.2 1151 20
+  45.1 5412 96
+  51.1 912 16
+  52.1 1087 19
+  53.3 7712 137
+  54.3 2864 51
+  55.3 5385 96
+  56.2 5874 105
+  57.3 588 10
+  59.2 12085 215
+  60.2 7390 132
+  61.2 750 13
+  65.2 9363 167
+  66.2 1650 29
+  67.2 10727 191
+  68.4 4792 85
+  70.2 2756 49
+  71.2 6899 123
+  72.3 1025 18
+  73.2 4415 79
+  77.2 5465 97
+  78.2 1877 33
+  79.2 790 14
+  80.3 11480 204
+  81.3 2408 43
+  82.2 5313 95
+  84.3 6203 110
+  85.2 10179 181
+  86.2 5916 105
+  91.3 963 17
+  92.2 1129 20
+  93.3 4711 84
+  94.3 3646 65
+  95.1 1408 25
+  97.2 7742 138
+  98.3 684 12
+  99.1 4610 82
+  100.2 56120 999
+  107.2 2182 39
+  109.3 5469 97
+  111.2 1737 31
+  113.1 2816 50
+  114.1 1925 34
+  119.1 562 10
+  127.1 46027 819
+  128.4 1479 26
+  135.1 785 14
+  139.2 1941 35
+  140.2 1643 29
+  141.0 6109 109
+  142.0 1815 32
+  151.1 918 16
+  168.0 1092 19
+  209.9 1634 29
+  211.8 785 14
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ03123.txt b/MSSJ/MSBNK-MSSJ-MSJ03123.txt
new file mode 100644
index 00000000000..3b1e517ba8d
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ03123.txt
@@ -0,0 +1,36 @@
+ACCESSION: MSBNK-MSSJ-MSJ03123
+RECORD_TITLE: Tandospirone; LC-ESI-QQ; MS; ESI; POSITIVE
+DATE: 2023.04.05
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230406-2.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Tandospirone
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C21H29N5O2
+CH$EXACT_MASS: 383.232105
+CH$SMILES: C1C[C@H]2C[C@@H]1[C@H]3[C@@H]2C(=O)N(C3=O)CCCCN4CCN(CC4)C5=NC=CC=N5
+CH$IUPAC: InChI=1S/C21H29N5O2/c27-19-17-15-4-5-16(14-15)18(17)20(28)26(19)9-2-1-8-24-10-12-25(13-11-24)21-22-6-3-7-23-21/h3,6-7,15-18H,1-2,4-5,8-14H2/t15-,16+,17+,18-
+CH$LINK: CAS 87760-53-0
+CH$LINK: CHEMSPIDER 82421
+CH$LINK: INCHIKEY CEIJFEGBUDEYSX-FZDBZEDMSA-N
+CH$LINK: PUBCHEM CID:91273
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.928 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+PK$SPLASH: splash10-001i-0009000000-6298afdeafae0fd33583
+PK$NUM_PEAK: 3
+PK$PEAK: m/z int. rel.int.
+  384.4 1555448 999
+  385.4 380030 244
+  386.3 50331 32
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ03124.txt b/MSSJ/MSBNK-MSSJ-MSJ03124.txt
new file mode 100644
index 00000000000..9f509916c3b
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ03124.txt
@@ -0,0 +1,38 @@
+ACCESSION: MSBNK-MSSJ-MSJ03124
+RECORD_TITLE: Tandospirone; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 10 V; [M+H]+
+DATE: 2023.04.05
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230406-2.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Tandospirone
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C21H29N5O2
+CH$EXACT_MASS: 383.232105
+CH$SMILES: C1C[C@H]2C[C@@H]1[C@H]3[C@@H]2C(=O)N(C3=O)CCCCN4CCN(CC4)C5=NC=CC=N5
+CH$IUPAC: InChI=1S/C21H29N5O2/c27-19-17-15-4-5-16(14-15)18(17)20(28)26(19)9-2-1-8-24-10-12-25(13-11-24)21-22-6-3-7-23-21/h3,6-7,15-18H,1-2,4-5,8-14H2/t15-,16+,17+,18-
+CH$LINK: CAS 87760-53-0
+CH$LINK: CHEMSPIDER 82421
+CH$LINK: INCHIKEY CEIJFEGBUDEYSX-FZDBZEDMSA-N
+CH$LINK: PUBCHEM CID:91273
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.928 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 384.239382
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-001i-0009000000-890442268113608b37d6
+PK$NUM_PEAK: 1
+PK$PEAK: m/z int. rel.int.
+  384.4 1934880 999
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ03125.txt b/MSSJ/MSBNK-MSSJ-MSJ03125.txt
new file mode 100644
index 00000000000..455290c8859
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ03125.txt
@@ -0,0 +1,42 @@
+ACCESSION: MSBNK-MSSJ-MSJ03125
+RECORD_TITLE: Tandospirone; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 20 V; [M+H]+
+DATE: 2023.04.05
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230406-2.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Tandospirone
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C21H29N5O2
+CH$EXACT_MASS: 383.232105
+CH$SMILES: C1C[C@H]2C[C@@H]1[C@H]3[C@@H]2C(=O)N(C3=O)CCCCN4CCN(CC4)C5=NC=CC=N5
+CH$IUPAC: InChI=1S/C21H29N5O2/c27-19-17-15-4-5-16(14-15)18(17)20(28)26(19)9-2-1-8-24-10-12-25(13-11-24)21-22-6-3-7-23-21/h3,6-7,15-18H,1-2,4-5,8-14H2/t15-,16+,17+,18-
+CH$LINK: CAS 87760-53-0
+CH$LINK: CHEMSPIDER 82421
+CH$LINK: INCHIKEY CEIJFEGBUDEYSX-FZDBZEDMSA-N
+CH$LINK: PUBCHEM CID:91273
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.928 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 384.239382
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-001i-0109000000-4773e1e3576f97628418
+PK$NUM_PEAK: 5
+PK$PEAK: m/z int. rel.int.
+  122.2 132337 121
+  150.2 20457 19
+  220.2 28594 26
+  263.2 14535 13
+  384.4 1094024 999
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ03126.txt b/MSSJ/MSBNK-MSSJ-MSJ03126.txt
new file mode 100644
index 00000000000..6257ed26f9f
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ03126.txt
@@ -0,0 +1,47 @@
+ACCESSION: MSBNK-MSSJ-MSJ03126
+RECORD_TITLE: Tandospirone; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 30 V; [M+H]+
+DATE: 2023.04.05
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230406-2.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Tandospirone
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C21H29N5O2
+CH$EXACT_MASS: 383.232105
+CH$SMILES: C1C[C@H]2C[C@@H]1[C@H]3[C@@H]2C(=O)N(C3=O)CCCCN4CCN(CC4)C5=NC=CC=N5
+CH$IUPAC: InChI=1S/C21H29N5O2/c27-19-17-15-4-5-16(14-15)18(17)20(28)26(19)9-2-1-8-24-10-12-25(13-11-24)21-22-6-3-7-23-21/h3,6-7,15-18H,1-2,4-5,8-14H2/t15-,16+,17+,18-
+CH$LINK: CAS 87760-53-0
+CH$LINK: CHEMSPIDER 82421
+CH$LINK: INCHIKEY CEIJFEGBUDEYSX-FZDBZEDMSA-N
+CH$LINK: PUBCHEM CID:91273
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.928 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 384.239382
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-00di-0912000000-7f118d18b7be48e49058
+PK$NUM_PEAK: 10
+PK$PEAK: m/z int. rel.int.
+  95.3 5653 11
+  122.2 498439 999
+  148.2 42906 86
+  150.2 50284 101
+  166.2 33205 67
+  178.2 55199 111
+  220.2 65549 131
+  263.2 40785 82
+  341.3 5987 12
+  384.4 183473 368
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ03127.txt b/MSSJ/MSBNK-MSSJ-MSJ03127.txt
new file mode 100644
index 00000000000..ce63b8e5c81
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ03127.txt
@@ -0,0 +1,53 @@
+ACCESSION: MSBNK-MSSJ-MSJ03127
+RECORD_TITLE: Tandospirone; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 40 V; [M+H]+
+DATE: 2023.04.05
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230406-2.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Tandospirone
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C21H29N5O2
+CH$EXACT_MASS: 383.232105
+CH$SMILES: C1C[C@H]2C[C@@H]1[C@H]3[C@@H]2C(=O)N(C3=O)CCCCN4CCN(CC4)C5=NC=CC=N5
+CH$IUPAC: InChI=1S/C21H29N5O2/c27-19-17-15-4-5-16(14-15)18(17)20(28)26(19)9-2-1-8-24-10-12-25(13-11-24)21-22-6-3-7-23-21/h3,6-7,15-18H,1-2,4-5,8-14H2/t15-,16+,17+,18-
+CH$LINK: CAS 87760-53-0
+CH$LINK: CHEMSPIDER 82421
+CH$LINK: INCHIKEY CEIJFEGBUDEYSX-FZDBZEDMSA-N
+CH$LINK: PUBCHEM CID:91273
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.928 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 384.239382
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-00di-0900000000-5b9c055534c493274f0c
+PK$NUM_PEAK: 16
+PK$PEAK: m/z int. rel.int.
+  78.3 5429 13
+  79.3 26428 64
+  80.3 12012 29
+  93.2 5736 14
+  95.3 11310 27
+  96.3 5095 12
+  98.2 9626 23
+  120.2 14425 35
+  122.2 414059 999
+  133.2 4227 10
+  148.2 62203 150
+  150.2 52193 126
+  166.2 84156 203
+  178.2 118531 286
+  220.2 30497 74
+  263.2 9032 22
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ03128.txt b/MSSJ/MSBNK-MSSJ-MSJ03128.txt
new file mode 100644
index 00000000000..aceffab6378
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ03128.txt
@@ -0,0 +1,65 @@
+ACCESSION: MSBNK-MSSJ-MSJ03128
+RECORD_TITLE: Tandospirone; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 50 V; [M+H]+
+DATE: 2023.04.05
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230406-2.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Tandospirone
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C21H29N5O2
+CH$EXACT_MASS: 383.232105
+CH$SMILES: C1C[C@H]2C[C@@H]1[C@H]3[C@@H]2C(=O)N(C3=O)CCCCN4CCN(CC4)C5=NC=CC=N5
+CH$IUPAC: InChI=1S/C21H29N5O2/c27-19-17-15-4-5-16(14-15)18(17)20(28)26(19)9-2-1-8-24-10-12-25(13-11-24)21-22-6-3-7-23-21/h3,6-7,15-18H,1-2,4-5,8-14H2/t15-,16+,17+,18-
+CH$LINK: CAS 87760-53-0
+CH$LINK: CHEMSPIDER 82421
+CH$LINK: INCHIKEY CEIJFEGBUDEYSX-FZDBZEDMSA-N
+CH$LINK: PUBCHEM CID:91273
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.928 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 384.239382
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-00fr-3900000000-96c5b7f7a7c55935a442
+PK$NUM_PEAK: 28
+PK$PEAK: m/z int. rel.int.
+  53.2 2119 10
+  55.3 12615 60
+  56.3 5146 24
+  67.5 2920 14
+  77.3 2646 13
+  78.3 15408 73
+  79.3 56641 269
+  80.3 29581 140
+  81.2 15040 71
+  84.3 7508 36
+  93.2 20166 96
+  94.3 2404 11
+  95.3 30603 145
+  96.3 5785 27
+  98.3 6923 33
+  105.2 7246 34
+  106.2 7774 37
+  107.2 8905 42
+  108.1 3224 15
+  119.3 3300 16
+  120.2 58743 279
+  122.2 210476 999
+  132.4 3692 18
+  133.2 5297 25
+  148.2 33287 158
+  150.2 25364 120
+  166.2 62847 298
+  178.2 80947 384
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ03129.txt b/MSSJ/MSBNK-MSSJ-MSJ03129.txt
new file mode 100644
index 00000000000..1b9b75160bd
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ03129.txt
@@ -0,0 +1,37 @@
+ACCESSION: MSBNK-MSSJ-MSJ03129
+RECORD_TITLE: Thiamylal; LC-ESI-QQ; MS; ESI; NEGATIVE
+DATE: 2023.04.07
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230407-1.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Thiamylal
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C12H18N2O2S
+CH$EXACT_MASS: 254.108891
+CH$SMILES: CCCC(C)C1(C(=O)NC(=S)NC1=O)CC=C
+CH$IUPAC: InChI=1S/C12H18N2O2S/c1-4-6-8(3)12(7-5-2)9(15)13-11(17)14-10(12)16/h5,8H,2,4,6-7H2,1,3H3,(H2,13,14,15,16,17)
+CH$LINK: CAS 77-27-0
+CH$LINK: CHEMSPIDER 2297298
+CH$LINK: INCHIKEY XLOMZPUITCYLMJ-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:3032285
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.279 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+PK$SPLASH: splash10-0udi-0090000000-30cb1c31e7965d49673b
+PK$NUM_PEAK: 4
+PK$PEAK: m/z int. rel.int.
+  253.1 3854876 999
+  254.1 541392 140
+  255.1 223156 58
+  321.1 41686 11
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ03130.txt b/MSSJ/MSBNK-MSSJ-MSJ03130.txt
new file mode 100644
index 00000000000..da7e17baf3e
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ03130.txt
@@ -0,0 +1,40 @@
+ACCESSION: MSBNK-MSSJ-MSJ03130
+RECORD_TITLE: Thiamylal; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 10 V; [M-H]-
+DATE: 2023.04.05
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230406-2.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Thiamylal
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C12H18N2O2S
+CH$EXACT_MASS: 254.108891
+CH$SMILES: CCCC(C)C1(C(=O)NC(=S)NC1=O)CC=C
+CH$IUPAC: InChI=1S/C12H18N2O2S/c1-4-6-8(3)12(7-5-2)9(15)13-11(17)14-10(12)16/h5,8H,2,4,6-7H2,1,3H3,(H2,13,14,15,16,17)
+CH$LINK: CAS 77-27-0
+CH$LINK: CHEMSPIDER 2297298
+CH$LINK: INCHIKEY XLOMZPUITCYLMJ-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:3032285
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.279 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 253.101614
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+PK$SPLASH: splash10-0udi-0090000000-69fed60dcb9814bae2d8
+PK$NUM_PEAK: 3
+PK$PEAK: m/z int. rel.int.
+  58.1 87767 91
+  101.0 40914 42
+  253.1 966329 999
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ03131.txt b/MSSJ/MSBNK-MSSJ-MSJ03131.txt
new file mode 100644
index 00000000000..168dbef6cf3
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ03131.txt
@@ -0,0 +1,40 @@
+ACCESSION: MSBNK-MSSJ-MSJ03131
+RECORD_TITLE: Thiamylal; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 20 V; [M-H]-
+DATE: 2023.04.05
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230406-2.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Thiamylal
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C12H18N2O2S
+CH$EXACT_MASS: 254.108891
+CH$SMILES: CCCC(C)C1(C(=O)NC(=S)NC1=O)CC=C
+CH$IUPAC: InChI=1S/C12H18N2O2S/c1-4-6-8(3)12(7-5-2)9(15)13-11(17)14-10(12)16/h5,8H,2,4,6-7H2,1,3H3,(H2,13,14,15,16,17)
+CH$LINK: CAS 77-27-0
+CH$LINK: CHEMSPIDER 2297298
+CH$LINK: INCHIKEY XLOMZPUITCYLMJ-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:3032285
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.279 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 253.101614
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+PK$SPLASH: splash10-0udi-0090000000-69fed60dcb9814bae2d8
+PK$NUM_PEAK: 3
+PK$PEAK: m/z int. rel.int.
+  58.1 87767 91
+  101.0 40914 42
+  253.1 966329 999
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ03132.txt b/MSSJ/MSBNK-MSSJ-MSJ03132.txt
new file mode 100644
index 00000000000..41f8714985b
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ03132.txt
@@ -0,0 +1,42 @@
+ACCESSION: MSBNK-MSSJ-MSJ03132
+RECORD_TITLE: Thiamylal; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 30 V; [M-H]-
+DATE: 2023.04.05
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230406-2.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Thiamylal
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C12H18N2O2S
+CH$EXACT_MASS: 254.108891
+CH$SMILES: CCCC(C)C1(C(=O)NC(=S)NC1=O)CC=C
+CH$IUPAC: InChI=1S/C12H18N2O2S/c1-4-6-8(3)12(7-5-2)9(15)13-11(17)14-10(12)16/h5,8H,2,4,6-7H2,1,3H3,(H2,13,14,15,16,17)
+CH$LINK: CAS 77-27-0
+CH$LINK: CHEMSPIDER 2297298
+CH$LINK: INCHIKEY XLOMZPUITCYLMJ-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:3032285
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.279 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 253.101614
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+PK$SPLASH: splash10-0a4i-9000000000-e76ed04a1d924ea3a60d
+PK$NUM_PEAK: 5
+PK$PEAK: m/z int. rel.int.
+  41.1 20981 137
+  42.1 13945 91
+  58.0 152842 999
+  101.0 2547 17
+  168.6 1981 13
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ03133.txt b/MSSJ/MSBNK-MSSJ-MSJ03133.txt
new file mode 100644
index 00000000000..917d7390f07
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ03133.txt
@@ -0,0 +1,41 @@
+ACCESSION: MSBNK-MSSJ-MSJ03133
+RECORD_TITLE: Thiamylal; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 40 V; [M-H]-
+DATE: 2023.04.05
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230406-2.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Thiamylal
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C12H18N2O2S
+CH$EXACT_MASS: 254.108891
+CH$SMILES: CCCC(C)C1(C(=O)NC(=S)NC1=O)CC=C
+CH$IUPAC: InChI=1S/C12H18N2O2S/c1-4-6-8(3)12(7-5-2)9(15)13-11(17)14-10(12)16/h5,8H,2,4,6-7H2,1,3H3,(H2,13,14,15,16,17)
+CH$LINK: CAS 77-27-0
+CH$LINK: CHEMSPIDER 2297298
+CH$LINK: INCHIKEY XLOMZPUITCYLMJ-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:3032285
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.279 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 253.101614
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+PK$SPLASH: splash10-0a4i-9000000000-86fa003472fe83431eb5
+PK$NUM_PEAK: 4
+PK$PEAK: m/z int. rel.int.
+  41.1 14371 115
+  42.1 17768 142
+  58.0 124686 999
+  101.0 1981 16
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ03134.txt b/MSSJ/MSBNK-MSSJ-MSJ03134.txt
new file mode 100644
index 00000000000..c13eb32b557
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ03134.txt
@@ -0,0 +1,41 @@
+ACCESSION: MSBNK-MSSJ-MSJ03134
+RECORD_TITLE: Thiamylal; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 50 V; [M-H]-
+DATE: 2023.04.05
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230406-2.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Thiamylal
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C12H18N2O2S
+CH$EXACT_MASS: 254.108891
+CH$SMILES: CCCC(C)C1(C(=O)NC(=S)NC1=O)CC=C
+CH$IUPAC: InChI=1S/C12H18N2O2S/c1-4-6-8(3)12(7-5-2)9(15)13-11(17)14-10(12)16/h5,8H,2,4,6-7H2,1,3H3,(H2,13,14,15,16,17)
+CH$LINK: CAS 77-27-0
+CH$LINK: CHEMSPIDER 2297298
+CH$LINK: INCHIKEY XLOMZPUITCYLMJ-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:3032285
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.279 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 253.101614
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+PK$SPLASH: splash10-0a4i-9000000000-0c4952b4a2fa3e5d3aba
+PK$NUM_PEAK: 4
+PK$PEAK: m/z int. rel.int.
+  41.1 10365 102
+  42.0 16121 158
+  58.0 101715 999
+  100.8 1520 15
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ03135.txt b/MSSJ/MSBNK-MSSJ-MSJ03135.txt
new file mode 100644
index 00000000000..dea493ea376
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ03135.txt
@@ -0,0 +1,41 @@
+ACCESSION: MSBNK-MSSJ-MSJ03135
+RECORD_TITLE: Thiopental; LC-ESI-QQ; MS; ESI; NEGATIVE
+DATE: 2023.04.07
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230407-1.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Thiopental
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C11H18N2O2S
+CH$EXACT_MASS: 242.108891
+CH$SMILES: CCCC(C)C1(C(=O)NC(=S)NC1=O)CC
+CH$IUPAC: InChI=1S/C11H18N2O2S/c1-4-6-7(3)11(5-2)8(14)12-10(16)13-9(11)15/h7H,4-6H2,1-3H3,(H2,12,13,14,15,16)
+CH$LINK: CAS 76-75-5
+CH$LINK: CHEMSPIDER 2272258
+CH$LINK: INCHIKEY IUJDSEJGGMCXSG-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:3000715
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.086 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+PK$SPLASH: splash10-0006-0090000000-fca471076d51fa1ca95e
+PK$NUM_PEAK: 8
+PK$PEAK: m/z int. rel.int.
+  241.1 2231074 999
+  242.1 349997 157
+  243.1 121191 54
+  244.1 23107 10
+  255.1 151527 68
+  299.1 27494 12
+  309.1 64889 29
+  353.2 27557 12
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ03136.txt b/MSSJ/MSBNK-MSSJ-MSJ03136.txt
new file mode 100644
index 00000000000..ed6507acdb8
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ03136.txt
@@ -0,0 +1,40 @@
+ACCESSION: MSBNK-MSSJ-MSJ03136
+RECORD_TITLE: Thiopental; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 10 V; [M-H]-
+DATE: 2023.04.07
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230407-1.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Thiopental
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C11H18N2O2S
+CH$EXACT_MASS: 242.108891
+CH$SMILES: CCCC(C)C1(C(=O)NC(=S)NC1=O)CC
+CH$IUPAC: InChI=1S/C11H18N2O2S/c1-4-6-7(3)11(5-2)8(14)12-10(16)13-9(11)15/h7H,4-6H2,1-3H3,(H2,12,13,14,15,16)
+CH$LINK: CAS 76-75-5
+CH$LINK: CHEMSPIDER 2272258
+CH$LINK: INCHIKEY IUJDSEJGGMCXSG-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:3000715
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.086 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 241.101614
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+PK$SPLASH: splash10-0006-0090000000-950662399d62966a6a1c
+PK$NUM_PEAK: 3
+PK$PEAK: m/z int. rel.int.
+  58.1 79140 73
+  101.0 22090 20
+  241.1 1085990 999
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ03137.txt b/MSSJ/MSBNK-MSSJ-MSJ03137.txt
new file mode 100644
index 00000000000..ef749967dde
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ03137.txt
@@ -0,0 +1,42 @@
+ACCESSION: MSBNK-MSSJ-MSJ03137
+RECORD_TITLE: Thiopental; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 20 V; [M-H]-
+DATE: 2023.04.07
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230407-1.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Thiopental
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C11H18N2O2S
+CH$EXACT_MASS: 242.108891
+CH$SMILES: CCCC(C)C1(C(=O)NC(=S)NC1=O)CC
+CH$IUPAC: InChI=1S/C11H18N2O2S/c1-4-6-7(3)11(5-2)8(14)12-10(16)13-9(11)15/h7H,4-6H2,1-3H3,(H2,12,13,14,15,16)
+CH$LINK: CAS 76-75-5
+CH$LINK: CHEMSPIDER 2272258
+CH$LINK: INCHIKEY IUJDSEJGGMCXSG-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:3000715
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.086 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 241.101614
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+PK$SPLASH: splash10-0a4i-9110000000-7b9b7529fa7aea6567b8
+PK$NUM_PEAK: 5
+PK$PEAK: m/z int. rel.int.
+  41.1 16693 90
+  42.1 4952 27
+  58.0 184668 999
+  101.0 30272 164
+  241.1 28612 155
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ03138.txt b/MSSJ/MSBNK-MSSJ-MSJ03138.txt
new file mode 100644
index 00000000000..4824c66600d
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ03138.txt
@@ -0,0 +1,42 @@
+ACCESSION: MSBNK-MSSJ-MSJ03138
+RECORD_TITLE: Thiopental; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 30 V; [M-H]-
+DATE: 2023.04.07
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230407-1.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Thiopental
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C11H18N2O2S
+CH$EXACT_MASS: 242.108891
+CH$SMILES: CCCC(C)C1(C(=O)NC(=S)NC1=O)CC
+CH$IUPAC: InChI=1S/C11H18N2O2S/c1-4-6-7(3)11(5-2)8(14)12-10(16)13-9(11)15/h7H,4-6H2,1-3H3,(H2,12,13,14,15,16)
+CH$LINK: CAS 76-75-5
+CH$LINK: CHEMSPIDER 2272258
+CH$LINK: INCHIKEY IUJDSEJGGMCXSG-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:3000715
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.086 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 241.101614
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+PK$SPLASH: splash10-0a4i-9000000000-ec043683f02cc0de368e
+PK$NUM_PEAK: 5
+PK$PEAK: m/z int. rel.int.
+  41.1 16029 93
+  42.0 9418 55
+  58.0 171532 999
+  101.0 3744 22
+  241.1 1876 11
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ03139.txt b/MSSJ/MSBNK-MSSJ-MSJ03139.txt
new file mode 100644
index 00000000000..2c6a07dc276
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ03139.txt
@@ -0,0 +1,41 @@
+ACCESSION: MSBNK-MSSJ-MSJ03139
+RECORD_TITLE: Thiopental; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 40 V; [M-H]-
+DATE: 2023.04.07
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230407-1.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Thiopental
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C11H18N2O2S
+CH$EXACT_MASS: 242.108891
+CH$SMILES: CCCC(C)C1(C(=O)NC(=S)NC1=O)CC
+CH$IUPAC: InChI=1S/C11H18N2O2S/c1-4-6-7(3)11(5-2)8(14)12-10(16)13-9(11)15/h7H,4-6H2,1-3H3,(H2,12,13,14,15,16)
+CH$LINK: CAS 76-75-5
+CH$LINK: CHEMSPIDER 2272258
+CH$LINK: INCHIKEY IUJDSEJGGMCXSG-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:3000715
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.086 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 241.101614
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+PK$SPLASH: splash10-0a4i-9000000000-1a0b42da0a7f7855290a
+PK$NUM_PEAK: 4
+PK$PEAK: m/z int. rel.int.
+  41.2 12772 102
+  42.1 10987 87
+  58.0 125629 999
+  100.9 1325 11
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ03140.txt b/MSSJ/MSBNK-MSSJ-MSJ03140.txt
new file mode 100644
index 00000000000..97273fe4957
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ03140.txt
@@ -0,0 +1,40 @@
+ACCESSION: MSBNK-MSSJ-MSJ03140
+RECORD_TITLE: Thiopental; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 50 V; [M-H]-
+DATE: 2023.04.07
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230407-1.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Thiopental
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C11H18N2O2S
+CH$EXACT_MASS: 242.108891
+CH$SMILES: CCCC(C)C1(C(=O)NC(=S)NC1=O)CC
+CH$IUPAC: InChI=1S/C11H18N2O2S/c1-4-6-7(3)11(5-2)8(14)12-10(16)13-9(11)15/h7H,4-6H2,1-3H3,(H2,12,13,14,15,16)
+CH$LINK: CAS 76-75-5
+CH$LINK: CHEMSPIDER 2272258
+CH$LINK: INCHIKEY IUJDSEJGGMCXSG-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:3000715
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.086 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 241.101614
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+PK$SPLASH: splash10-0a4i-9000000000-2547e4545a22c6929061
+PK$NUM_PEAK: 3
+PK$PEAK: m/z int. rel.int.
+  41.1 4649 45
+  42.1 12690 123
+  58.0 103154 999
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ03141.txt b/MSSJ/MSBNK-MSSJ-MSJ03141.txt
new file mode 100644
index 00000000000..b8ffb76ae5b
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ03141.txt
@@ -0,0 +1,41 @@
+ACCESSION: MSBNK-MSSJ-MSJ03141
+RECORD_TITLE: Thioridazine; LC-ESI-QQ; MS; ESI; POSITIVE
+DATE: 2023.04.07
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230407-1.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Thioridazine
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C21H26N2S2
+CH$EXACT_MASS: 370.153732
+CH$SMILES: CN1CCCCC1CCN2C3=CC=CC=C3SC4=C2C=C(C=C4)SC
+CH$IUPAC: InChI=1S/C21H26N2S2/c1-22-13-6-5-7-16(22)12-14-23-18-8-3-4-9-20(18)25-21-11-10-17(24-2)15-19(21)23/h3-4,8-11,15-16H,5-7,12-14H2,1-2H3
+CH$LINK: CAS 50-52-2
+CH$LINK: CHEMSPIDER 5253
+CH$LINK: INCHIKEY KLBQZWRITKRQQV-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:5452
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.627 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+PK$SPLASH: splash10-00di-0009000000-6bff41bd03fafb2dc580
+PK$NUM_PEAK: 8
+PK$PEAK: m/z int. rel.int.
+  249.3 48344 28
+  266.3 31151 18
+  327.1 29037 17
+  329.1 21938 13
+  371.3 1696944 999
+  372.3 394025 232
+  373.3 200116 118
+  374.3 38487 23
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ03142.txt b/MSSJ/MSBNK-MSSJ-MSJ03142.txt
new file mode 100644
index 00000000000..3f1b32b7fb8
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ03142.txt
@@ -0,0 +1,39 @@
+ACCESSION: MSBNK-MSSJ-MSJ03142
+RECORD_TITLE: Thioridazine; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 10 V; [M+H]+
+DATE: 2023.04.07
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230407-1.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Thioridazine
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C21H26N2S2
+CH$EXACT_MASS: 370.153732
+CH$SMILES: CN1CCCCC1CCN2C3=CC=CC=C3SC4=C2C=C(C=C4)SC
+CH$IUPAC: InChI=1S/C21H26N2S2/c1-22-13-6-5-7-16(22)12-14-23-18-8-3-4-9-20(18)25-21-11-10-17(24-2)15-19(21)23/h3-4,8-11,15-16H,5-7,12-14H2,1-2H3
+CH$LINK: CAS 50-52-2
+CH$LINK: CHEMSPIDER 5253
+CH$LINK: INCHIKEY KLBQZWRITKRQQV-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:5452
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.627 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 371.161009
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-00di-0009000000-cc7b48d50143122a3558
+PK$NUM_PEAK: 2
+PK$PEAK: m/z int. rel.int.
+  126.2 61111 32
+  371.3 1896854 999
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ03143.txt b/MSSJ/MSBNK-MSSJ-MSJ03143.txt
new file mode 100644
index 00000000000..b682ed9f228
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ03143.txt
@@ -0,0 +1,42 @@
+ACCESSION: MSBNK-MSSJ-MSJ03143
+RECORD_TITLE: Thioridazine; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 20 V; [M+H]+
+DATE: 2023.04.07
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230407-1.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Thioridazine
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C21H26N2S2
+CH$EXACT_MASS: 370.153732
+CH$SMILES: CN1CCCCC1CCN2C3=CC=CC=C3SC4=C2C=C(C=C4)SC
+CH$IUPAC: InChI=1S/C21H26N2S2/c1-22-13-6-5-7-16(22)12-14-23-18-8-3-4-9-20(18)25-21-11-10-17(24-2)15-19(21)23/h3-4,8-11,15-16H,5-7,12-14H2,1-2H3
+CH$LINK: CAS 50-52-2
+CH$LINK: CHEMSPIDER 5253
+CH$LINK: INCHIKEY KLBQZWRITKRQQV-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:5452
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.627 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 371.161009
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-00b9-2908000000-751b1b8e6693d04877d1
+PK$NUM_PEAK: 5
+PK$PEAK: m/z int. rel.int.
+  58.3 9935 17
+  98.3 157834 268
+  126.2 589004 999
+  258.1 18735 32
+  371.3 583071 989
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ03144.txt b/MSSJ/MSBNK-MSSJ-MSJ03144.txt
new file mode 100644
index 00000000000..73e6d220e6b
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ03144.txt
@@ -0,0 +1,45 @@
+ACCESSION: MSBNK-MSSJ-MSJ03144
+RECORD_TITLE: Thioridazine; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 30 V; [M+H]+
+DATE: 2023.04.07
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230407-1.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Thioridazine
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C21H26N2S2
+CH$EXACT_MASS: 370.153732
+CH$SMILES: CN1CCCCC1CCN2C3=CC=CC=C3SC4=C2C=C(C=C4)SC
+CH$IUPAC: InChI=1S/C21H26N2S2/c1-22-13-6-5-7-16(22)12-14-23-18-8-3-4-9-20(18)25-21-11-10-17(24-2)15-19(21)23/h3-4,8-11,15-16H,5-7,12-14H2,1-2H3
+CH$LINK: CAS 50-52-2
+CH$LINK: CHEMSPIDER 5253
+CH$LINK: INCHIKEY KLBQZWRITKRQQV-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:5452
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.627 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 371.161009
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-004j-8900000000-4e8914e12645e45f841d
+PK$NUM_PEAK: 8
+PK$PEAK: m/z int. rel.int.
+  44.3 6734 12
+  58.3 52853 91
+  70.2 13170 23
+  84.3 8029 14
+  98.3 500810 860
+  126.3 581957 999
+  258.1 32400 56
+  371.2 15779 27
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ03145.txt b/MSSJ/MSBNK-MSSJ-MSJ03145.txt
new file mode 100644
index 00000000000..f3c5771d56e
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ03145.txt
@@ -0,0 +1,49 @@
+ACCESSION: MSBNK-MSSJ-MSJ03145
+RECORD_TITLE: Thioridazine; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 40 V; [M+H]+
+DATE: 2023.04.07
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230407-1.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Thioridazine
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C21H26N2S2
+CH$EXACT_MASS: 370.153732
+CH$SMILES: CN1CCCCC1CCN2C3=CC=CC=C3SC4=C2C=C(C=C4)SC
+CH$IUPAC: InChI=1S/C21H26N2S2/c1-22-13-6-5-7-16(22)12-14-23-18-8-3-4-9-20(18)25-21-11-10-17(24-2)15-19(21)23/h3-4,8-11,15-16H,5-7,12-14H2,1-2H3
+CH$LINK: CAS 50-52-2
+CH$LINK: CHEMSPIDER 5253
+CH$LINK: INCHIKEY KLBQZWRITKRQQV-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:5452
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.627 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 371.161009
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-002b-9300000000-2137f2f1224c11e23c10
+PK$NUM_PEAK: 12
+PK$PEAK: m/z int. rel.int.
+  44.3 7452 17
+  55.3 17063 39
+  58.3 123842 282
+  70.3 43658 100
+  83.3 6087 14
+  84.3 12440 28
+  98.3 438151 999
+  126.3 245524 560
+  211.1 13690 31
+  226.1 16159 37
+  243.1 5919 13
+  258.1 9765 22
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ03146.txt b/MSSJ/MSBNK-MSSJ-MSJ03146.txt
new file mode 100644
index 00000000000..51b4d27b8d7
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ03146.txt
@@ -0,0 +1,55 @@
+ACCESSION: MSBNK-MSSJ-MSJ03146
+RECORD_TITLE: Thioridazine; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 50 V; [M+H]+
+DATE: 2023.04.07
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230407-1.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Thioridazine
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C21H26N2S2
+CH$EXACT_MASS: 370.153732
+CH$SMILES: CN1CCCCC1CCN2C3=CC=CC=C3SC4=C2C=C(C=C4)SC
+CH$IUPAC: InChI=1S/C21H26N2S2/c1-22-13-6-5-7-16(22)12-14-23-18-8-3-4-9-20(18)25-21-11-10-17(24-2)15-19(21)23/h3-4,8-11,15-16H,5-7,12-14H2,1-2H3
+CH$LINK: CAS 50-52-2
+CH$LINK: CHEMSPIDER 5253
+CH$LINK: INCHIKEY KLBQZWRITKRQQV-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:5452
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.627 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 371.161009
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-0002-9100000000-e9f7a5a081dfeaede4e1
+PK$NUM_PEAK: 18
+PK$PEAK: m/z int. rel.int.
+  42.3 7386 23
+  44.4 20484 63
+  55.3 37780 116
+  58.3 101856 313
+  70.3 89611 275
+  83.2 11268 35
+  84.2 14849 46
+  96.3 5779 18
+  98.3 325014 999
+  126.2 59784 184
+  167.1 5941 18
+  179.2 10531 32
+  198.1 4305 13
+  199.2 5220 16
+  210.2 4060 12
+  211.1 13230 41
+  226.2 12630 39
+  243.2 4978 15
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ03147.txt b/MSSJ/MSBNK-MSSJ-MSJ03147.txt
new file mode 100644
index 00000000000..c4f501cb9c2
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ03147.txt
@@ -0,0 +1,37 @@
+ACCESSION: MSBNK-MSSJ-MSJ03147
+RECORD_TITLE: Timiperone; LC-ESI-QQ; MS; ESI; POSITIVE
+DATE: 2023.04.07
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230407-1.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Timiperone
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C22H24FN3OS
+CH$EXACT_MASS: 397.162399
+CH$SMILES: C1CN(CCC1N2C3=CC=CC=C3NC2=S)CCCC(=O)C4=CC=C(C=C4)F
+CH$IUPAC: InChI=1S/C22H24FN3OS/c23-17-9-7-16(8-10-17)21(27)6-3-13-25-14-11-18(12-15-25)26-20-5-2-1-4-19(20)24-22(26)28/h1-2,4-5,7-10,18H,3,6,11-15H2,(H,24,28)
+CH$LINK: CAS 57648-21-2
+CH$LINK: CHEMSPIDER 2297930
+CH$LINK: INCHIKEY YDLQKLWVKKFPII-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:3033151
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.191 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+PK$SPLASH: splash10-0002-0009000000-dd043844fedc9f44b556
+PK$NUM_PEAK: 4
+PK$PEAK: m/z int. rel.int.
+  228.3 25596 14
+  398.3 1791583 999
+  399.3 529211 295
+  400.3 146403 82
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ03148.txt b/MSSJ/MSBNK-MSSJ-MSJ03148.txt
new file mode 100644
index 00000000000..8b9cc123ac7
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ03148.txt
@@ -0,0 +1,39 @@
+ACCESSION: MSBNK-MSSJ-MSJ03148
+RECORD_TITLE: Timiperone; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 10 V; [M+H]+
+DATE: 2023.04.07
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230407-1.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Timiperone
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C22H24FN3OS
+CH$EXACT_MASS: 397.162399
+CH$SMILES: C1CN(CCC1N2C3=CC=CC=C3NC2=S)CCCC(=O)C4=CC=C(C=C4)F
+CH$IUPAC: InChI=1S/C22H24FN3OS/c23-17-9-7-16(8-10-17)21(27)6-3-13-25-14-11-18(12-15-25)26-20-5-2-1-4-19(20)24-22(26)28/h1-2,4-5,7-10,18H,3,6,11-15H2,(H,24,28)
+CH$LINK: CAS 57648-21-2
+CH$LINK: CHEMSPIDER 2297930
+CH$LINK: INCHIKEY YDLQKLWVKKFPII-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:3033151
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.191 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 398.169676
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-0002-0009000000-ebed348fbf8baf4e430e
+PK$NUM_PEAK: 2
+PK$PEAK: m/z int. rel.int.
+  165.2 31655 23
+  398.3 1402586 999
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ03149.txt b/MSSJ/MSBNK-MSSJ-MSJ03149.txt
new file mode 100644
index 00000000000..c15a2b36c4d
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ03149.txt
@@ -0,0 +1,46 @@
+ACCESSION: MSBNK-MSSJ-MSJ03149
+RECORD_TITLE: Timiperone; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 20 V; [M+H]+
+DATE: 2023.04.07
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230407-1.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Timiperone
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C22H24FN3OS
+CH$EXACT_MASS: 397.162399
+CH$SMILES: C1CN(CCC1N2C3=CC=CC=C3NC2=S)CCCC(=O)C4=CC=C(C=C4)F
+CH$IUPAC: InChI=1S/C22H24FN3OS/c23-17-9-7-16(8-10-17)21(27)6-3-13-25-14-11-18(12-15-25)26-20-5-2-1-4-19(20)24-22(26)28/h1-2,4-5,7-10,18H,3,6,11-15H2,(H,24,28)
+CH$LINK: CAS 57648-21-2
+CH$LINK: CHEMSPIDER 2297930
+CH$LINK: INCHIKEY YDLQKLWVKKFPII-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:3033151
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.191 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 398.169676
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-00kb-0729000000-7f863aeb170981fdebdd
+PK$NUM_PEAK: 9
+PK$PEAK: m/z int. rel.int.
+  123.2 22248 50
+  165.2 325687 732
+  194.2 7540 17
+  205.2 5470 12
+  217.2 83370 187
+  234.2 21889 49
+  248.2 28296 64
+  380.3 4966 11
+  398.3 444762 999
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ03150.txt b/MSSJ/MSBNK-MSSJ-MSJ03150.txt
new file mode 100644
index 00000000000..446d33c1dd0
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ03150.txt
@@ -0,0 +1,48 @@
+ACCESSION: MSBNK-MSSJ-MSJ03150
+RECORD_TITLE: Timiperone; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 30 V; [M+H]+
+DATE: 2023.04.07
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230407-1.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Timiperone
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C22H24FN3OS
+CH$EXACT_MASS: 397.162399
+CH$SMILES: C1CN(CCC1N2C3=CC=CC=C3NC2=S)CCCC(=O)C4=CC=C(C=C4)F
+CH$IUPAC: InChI=1S/C22H24FN3OS/c23-17-9-7-16(8-10-17)21(27)6-3-13-25-14-11-18(12-15-25)26-20-5-2-1-4-19(20)24-22(26)28/h1-2,4-5,7-10,18H,3,6,11-15H2,(H,24,28)
+CH$LINK: CAS 57648-21-2
+CH$LINK: CHEMSPIDER 2297930
+CH$LINK: INCHIKEY YDLQKLWVKKFPII-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:3033151
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.191 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 398.169676
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-014i-0910000000-452d01c95a4dea52651c
+PK$NUM_PEAK: 11
+PK$PEAK: m/z int. rel.int.
+  67.3 10217 16
+  95.3 6933 11
+  123.1 203050 311
+  151.1 22332 34
+  165.2 652910 999
+  194.2 9208 14
+  205.2 16028 25
+  217.2 59493 91
+  234.2 6644 10
+  248.2 18021 28
+  398.3 20744 32
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ03151.txt b/MSSJ/MSBNK-MSSJ-MSJ03151.txt
new file mode 100644
index 00000000000..4f916eaf877
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ03151.txt
@@ -0,0 +1,45 @@
+ACCESSION: MSBNK-MSSJ-MSJ03151
+RECORD_TITLE: Timiperone; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 40 V; [M+H]+
+DATE: 2023.04.07
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230407-1.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Timiperone
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C22H24FN3OS
+CH$EXACT_MASS: 397.162399
+CH$SMILES: C1CN(CCC1N2C3=CC=CC=C3NC2=S)CCCC(=O)C4=CC=C(C=C4)F
+CH$IUPAC: InChI=1S/C22H24FN3OS/c23-17-9-7-16(8-10-17)21(27)6-3-13-25-14-11-18(12-15-25)26-20-5-2-1-4-19(20)24-22(26)28/h1-2,4-5,7-10,18H,3,6,11-15H2,(H,24,28)
+CH$LINK: CAS 57648-21-2
+CH$LINK: CHEMSPIDER 2297930
+CH$LINK: INCHIKEY YDLQKLWVKKFPII-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:3033151
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.191 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 398.169676
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-00xr-0900000000-8f5efc590508145b0598
+PK$NUM_PEAK: 8
+PK$PEAK: m/z int. rel.int.
+  67.2 33591 93
+  95.2 14795 41
+  123.1 361590 999
+  151.1 26173 72
+  163.0 4284 12
+  165.2 308576 853
+  205.1 4445 12
+  217.1 13439 37
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ03152.txt b/MSSJ/MSBNK-MSSJ-MSJ03152.txt
new file mode 100644
index 00000000000..29fae522879
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ03152.txt
@@ -0,0 +1,42 @@
+ACCESSION: MSBNK-MSSJ-MSJ03152
+RECORD_TITLE: Timiperone; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 50 V; [M+H]+
+DATE: 2023.04.07
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230407-1.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Timiperone
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C22H24FN3OS
+CH$EXACT_MASS: 397.162399
+CH$SMILES: C1CN(CCC1N2C3=CC=CC=C3NC2=S)CCCC(=O)C4=CC=C(C=C4)F
+CH$IUPAC: InChI=1S/C22H24FN3OS/c23-17-9-7-16(8-10-17)21(27)6-3-13-25-14-11-18(12-15-25)26-20-5-2-1-4-19(20)24-22(26)28/h1-2,4-5,7-10,18H,3,6,11-15H2,(H,24,28)
+CH$LINK: CAS 57648-21-2
+CH$LINK: CHEMSPIDER 2297930
+CH$LINK: INCHIKEY YDLQKLWVKKFPII-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:3033151
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.191 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 398.169676
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-00di-0900000000-163abb00ee6b12c9c4c0
+PK$NUM_PEAK: 5
+PK$PEAK: m/z int. rel.int.
+  67.3 10622 19
+  95.2 62865 110
+  123.2 570446 999
+  151.1 16566 29
+  165.2 83056 145
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ03153.txt b/MSSJ/MSBNK-MSSJ-MSJ03153.txt
new file mode 100644
index 00000000000..4c4976fbaf2
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ03153.txt
@@ -0,0 +1,43 @@
+ACCESSION: MSBNK-MSSJ-MSJ03153
+RECORD_TITLE: Timiperone; LC-ESI-QQ; MS; ESI; NEGATIVE
+DATE: 2023.04.07
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230407-1.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Timiperone
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C22H24FN3OS
+CH$EXACT_MASS: 397.162399
+CH$SMILES: C1CN(CCC1N2C3=CC=CC=C3NC2=S)CCCC(=O)C4=CC=C(C=C4)F
+CH$IUPAC: InChI=1S/C22H24FN3OS/c23-17-9-7-16(8-10-17)21(27)6-3-13-25-14-11-18(12-15-25)26-20-5-2-1-4-19(20)24-22(26)28/h1-2,4-5,7-10,18H,3,6,11-15H2,(H,24,28)
+CH$LINK: CAS 57648-21-2
+CH$LINK: CHEMSPIDER 2297930
+CH$LINK: INCHIKEY YDLQKLWVKKFPII-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:3033151
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.191 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+PK$SPLASH: splash10-0002-0009100000-8c6c28e683fa536c924c
+PK$NUM_PEAK: 10
+PK$PEAK: m/z int. rel.int.
+  396.2 2860196 999
+  397.2 701106 245
+  398.2 190628 67
+  421.1 94883 33
+  431.2 62717 22
+  432.2 35336 12
+  454.1 70353 25
+  464.1 121264 42
+  465.2 32691 11
+  481.1 34065 12
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ03154.txt b/MSSJ/MSBNK-MSSJ-MSJ03154.txt
new file mode 100644
index 00000000000..a36c8411b83
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ03154.txt
@@ -0,0 +1,38 @@
+ACCESSION: MSBNK-MSSJ-MSJ03154
+RECORD_TITLE: Timiperone; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 10 V; [M-H]-
+DATE: 2023.04.07
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230407-1.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Timiperone
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C22H24FN3OS
+CH$EXACT_MASS: 397.162399
+CH$SMILES: C1CN(CCC1N2C3=CC=CC=C3NC2=S)CCCC(=O)C4=CC=C(C=C4)F
+CH$IUPAC: InChI=1S/C22H24FN3OS/c23-17-9-7-16(8-10-17)21(27)6-3-13-25-14-11-18(12-15-25)26-20-5-2-1-4-19(20)24-22(26)28/h1-2,4-5,7-10,18H,3,6,11-15H2,(H,24,28)
+CH$LINK: CAS 57648-21-2
+CH$LINK: CHEMSPIDER 2297930
+CH$LINK: INCHIKEY YDLQKLWVKKFPII-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:3033151
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.191 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 396.155122
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+PK$SPLASH: splash10-0002-0009000000-8bbfb4d82f850ad9343a
+PK$NUM_PEAK: 1
+PK$PEAK: m/z int. rel.int.
+  396.2 1694229 999
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ03155.txt b/MSSJ/MSBNK-MSSJ-MSJ03155.txt
new file mode 100644
index 00000000000..e588248f7cc
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ03155.txt
@@ -0,0 +1,40 @@
+ACCESSION: MSBNK-MSSJ-MSJ03155
+RECORD_TITLE: Timiperone; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 20 V; [M-H]-
+DATE: 2023.04.07
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230407-1.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Timiperone
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C22H24FN3OS
+CH$EXACT_MASS: 397.162399
+CH$SMILES: C1CN(CCC1N2C3=CC=CC=C3NC2=S)CCCC(=O)C4=CC=C(C=C4)F
+CH$IUPAC: InChI=1S/C22H24FN3OS/c23-17-9-7-16(8-10-17)21(27)6-3-13-25-14-11-18(12-15-25)26-20-5-2-1-4-19(20)24-22(26)28/h1-2,4-5,7-10,18H,3,6,11-15H2,(H,24,28)
+CH$LINK: CAS 57648-21-2
+CH$LINK: CHEMSPIDER 2297930
+CH$LINK: INCHIKEY YDLQKLWVKKFPII-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:3033151
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.191 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 396.155122
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+PK$SPLASH: splash10-0002-0009000000-cec340789c1d2e827995
+PK$NUM_PEAK: 3
+PK$PEAK: m/z int. rel.int.
+  149.0 93877 102
+  232.0 65041 71
+  396.2 921312 999
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ03156.txt b/MSSJ/MSBNK-MSSJ-MSJ03156.txt
new file mode 100644
index 00000000000..0150d66fcbb
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ03156.txt
@@ -0,0 +1,43 @@
+ACCESSION: MSBNK-MSSJ-MSJ03156
+RECORD_TITLE: Timiperone; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 30 V; [M-H]-
+DATE: 2023.04.07
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230407-1.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Timiperone
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C22H24FN3OS
+CH$EXACT_MASS: 397.162399
+CH$SMILES: C1CN(CCC1N2C3=CC=CC=C3NC2=S)CCCC(=O)C4=CC=C(C=C4)F
+CH$IUPAC: InChI=1S/C22H24FN3OS/c23-17-9-7-16(8-10-17)21(27)6-3-13-25-14-11-18(12-15-25)26-20-5-2-1-4-19(20)24-22(26)28/h1-2,4-5,7-10,18H,3,6,11-15H2,(H,24,28)
+CH$LINK: CAS 57648-21-2
+CH$LINK: CHEMSPIDER 2297930
+CH$LINK: INCHIKEY YDLQKLWVKKFPII-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:3033151
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.191 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 396.155122
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+PK$SPLASH: splash10-0002-0943000000-003e43df14f18097832f
+PK$NUM_PEAK: 6
+PK$PEAK: m/z int. rel.int.
+  117.1 22384 53
+  149.0 420849 999
+  160.9 8573 20
+  174.9 4416 10
+  232.0 244713 581
+  396.1 176798 420
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ03157.txt b/MSSJ/MSBNK-MSSJ-MSJ03157.txt
new file mode 100644
index 00000000000..3a6d17d04a0
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ03157.txt
@@ -0,0 +1,42 @@
+ACCESSION: MSBNK-MSSJ-MSJ03157
+RECORD_TITLE: Timiperone; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 40 V; [M-H]-
+DATE: 2023.04.07
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230407-1.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Timiperone
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C22H24FN3OS
+CH$EXACT_MASS: 397.162399
+CH$SMILES: C1CN(CCC1N2C3=CC=CC=C3NC2=S)CCCC(=O)C4=CC=C(C=C4)F
+CH$IUPAC: InChI=1S/C22H24FN3OS/c23-17-9-7-16(8-10-17)21(27)6-3-13-25-14-11-18(12-15-25)26-20-5-2-1-4-19(20)24-22(26)28/h1-2,4-5,7-10,18H,3,6,11-15H2,(H,24,28)
+CH$LINK: CAS 57648-21-2
+CH$LINK: CHEMSPIDER 2297930
+CH$LINK: INCHIKEY YDLQKLWVKKFPII-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:3033151
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.191 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 396.155122
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+PK$SPLASH: splash10-0002-0910000000-e14219a97b6d19b1a597
+PK$NUM_PEAK: 5
+PK$PEAK: m/z int. rel.int.
+  117.0 94163 168
+  149.0 561483 999
+  161.0 18430 33
+  175.0 10305 18
+  232.0 113482 202
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ03158.txt b/MSSJ/MSBNK-MSSJ-MSJ03158.txt
new file mode 100644
index 00000000000..973401c58cd
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ03158.txt
@@ -0,0 +1,42 @@
+ACCESSION: MSBNK-MSSJ-MSJ03158
+RECORD_TITLE: Timiperone; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 50 V; [M-H]-
+DATE: 2023.04.07
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230407-1.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Timiperone
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C22H24FN3OS
+CH$EXACT_MASS: 397.162399
+CH$SMILES: C1CN(CCC1N2C3=CC=CC=C3NC2=S)CCCC(=O)C4=CC=C(C=C4)F
+CH$IUPAC: InChI=1S/C22H24FN3OS/c23-17-9-7-16(8-10-17)21(27)6-3-13-25-14-11-18(12-15-25)26-20-5-2-1-4-19(20)24-22(26)28/h1-2,4-5,7-10,18H,3,6,11-15H2,(H,24,28)
+CH$LINK: CAS 57648-21-2
+CH$LINK: CHEMSPIDER 2297930
+CH$LINK: INCHIKEY YDLQKLWVKKFPII-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:3033151
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.191 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 396.155122
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+PK$SPLASH: splash10-0002-0900000000-c5757a831d541a9a5ba6
+PK$NUM_PEAK: 5
+PK$PEAK: m/z int. rel.int.
+  117.0 189661 480
+  149.0 394992 999
+  161.0 15072 38
+  174.9 19550 49
+  232.0 19346 49
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ03159.txt b/MSSJ/MSBNK-MSSJ-MSJ03159.txt
new file mode 100644
index 00000000000..f762450ff02
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ03159.txt
@@ -0,0 +1,37 @@
+ACCESSION: MSBNK-MSSJ-MSJ03159
+RECORD_TITLE: Desipramine; LC-ESI-QQ; MS; ESI; POSITIVE
+DATE: 2023.04.07
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230407-1.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Desipramine
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C18H22N2
+CH$EXACT_MASS: 266.17829
+CH$SMILES: CNCCCN1C2=CC=CC=C2CCC3=CC=CC=C31
+CH$IUPAC: InChI=1S/C18H22N2/c1-19-13-6-14-20-17-9-4-2-7-15(17)11-12-16-8-3-5-10-18(16)20/h2-5,7-10,19H,6,11-14H2,1H3
+CH$LINK: CAS 50-47-5
+CH$LINK: CHEMSPIDER 2888
+CH$LINK: INCHIKEY HCYAFALTSJYZDH-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:2995
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.466 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+PK$SPLASH: splash10-014i-0090000000-c2cc9d751c8943ca21a6
+PK$NUM_PEAK: 4
+PK$PEAK: m/z int. rel.int.
+  202.2 13244 12
+  267.3 1113069 999
+  268.3 238464 214
+  269.3 19526 18
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ03160.txt b/MSSJ/MSBNK-MSSJ-MSJ03160.txt
new file mode 100644
index 00000000000..6efb12509b1
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ03160.txt
@@ -0,0 +1,40 @@
+ACCESSION: MSBNK-MSSJ-MSJ03160
+RECORD_TITLE: Desipramine; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 10 V; [M+H]+
+DATE: 2023.04.07
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230407-1.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Desipramine
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C18H22N2
+CH$EXACT_MASS: 266.17829
+CH$SMILES: CNCCCN1C2=CC=CC=C2CCC3=CC=CC=C31
+CH$IUPAC: InChI=1S/C18H22N2/c1-19-13-6-14-20-17-9-4-2-7-15(17)11-12-16-8-3-5-10-18(16)20/h2-5,7-10,19H,6,11-14H2,1H3
+CH$LINK: CAS 50-47-5
+CH$LINK: CHEMSPIDER 2888
+CH$LINK: INCHIKEY HCYAFALTSJYZDH-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:2995
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.466 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 267.185567
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-014i-1090000000-b10a172ab58b3fcb50a9
+PK$NUM_PEAK: 3
+PK$PEAK: m/z int. rel.int.
+  72.3 224253 212
+  236.2 18737 18
+  267.2 1058768 999
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ03161.txt b/MSSJ/MSBNK-MSSJ-MSJ03161.txt
new file mode 100644
index 00000000000..1f7a7cc5c0d
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ03161.txt
@@ -0,0 +1,42 @@
+ACCESSION: MSBNK-MSSJ-MSJ03161
+RECORD_TITLE: Desipramine; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 20 V; [M+H]+
+DATE: 2023.04.07
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230407-1.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Desipramine
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C18H22N2
+CH$EXACT_MASS: 266.17829
+CH$SMILES: CNCCCN1C2=CC=CC=C2CCC3=CC=CC=C31
+CH$IUPAC: InChI=1S/C18H22N2/c1-19-13-6-14-20-17-9-4-2-7-15(17)11-12-16-8-3-5-10-18(16)20/h2-5,7-10,19H,6,11-14H2,1H3
+CH$LINK: CAS 50-47-5
+CH$LINK: CHEMSPIDER 2888
+CH$LINK: INCHIKEY HCYAFALTSJYZDH-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:2995
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.466 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 267.185567
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-00di-9010000000-8f6b3e0b7c6dee7b9d33
+PK$NUM_PEAK: 5
+PK$PEAK: m/z int. rel.int.
+  44.3 56376 100
+  72.3 561446 999
+  208.2 64908 115
+  236.2 25795 46
+  267.3 26603 47
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ03162.txt b/MSSJ/MSBNK-MSSJ-MSJ03162.txt
new file mode 100644
index 00000000000..080848a547e
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ03162.txt
@@ -0,0 +1,47 @@
+ACCESSION: MSBNK-MSSJ-MSJ03162
+RECORD_TITLE: Desipramine; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 30 V; [M+H]+
+DATE: 2023.04.07
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230407-1.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Desipramine
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C18H22N2
+CH$EXACT_MASS: 266.17829
+CH$SMILES: CNCCCN1C2=CC=CC=C2CCC3=CC=CC=C31
+CH$IUPAC: InChI=1S/C18H22N2/c1-19-13-6-14-20-17-9-4-2-7-15(17)11-12-16-8-3-5-10-18(16)20/h2-5,7-10,19H,6,11-14H2,1H3
+CH$LINK: CAS 50-47-5
+CH$LINK: CHEMSPIDER 2888
+CH$LINK: INCHIKEY HCYAFALTSJYZDH-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:2995
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.466 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 267.185567
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-00di-9000000000-b99a528a68934ee44264
+PK$NUM_PEAK: 10
+PK$PEAK: m/z int. rel.int.
+  41.4 4302 12
+  44.3 97220 270
+  56.2 5485 15
+  57.3 21245 59
+  72.3 359416 999
+  193.1 30312 84
+  194.1 5233 15
+  195.2 6000 17
+  208.2 39314 109
+  236.2 4831 13
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ03163.txt b/MSSJ/MSBNK-MSSJ-MSJ03163.txt
new file mode 100644
index 00000000000..9cb74301b3d
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ03163.txt
@@ -0,0 +1,58 @@
+ACCESSION: MSBNK-MSSJ-MSJ03163
+RECORD_TITLE: Desipramine; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 40 V; [M+H]+
+DATE: 2023.04.07
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230407-1.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Desipramine
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C18H22N2
+CH$EXACT_MASS: 266.17829
+CH$SMILES: CNCCCN1C2=CC=CC=C2CCC3=CC=CC=C31
+CH$IUPAC: InChI=1S/C18H22N2/c1-19-13-6-14-20-17-9-4-2-7-15(17)11-12-16-8-3-5-10-18(16)20/h2-5,7-10,19H,6,11-14H2,1H3
+CH$LINK: CAS 50-47-5
+CH$LINK: CHEMSPIDER 2888
+CH$LINK: INCHIKEY HCYAFALTSJYZDH-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:2995
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.466 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 267.185567
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-006x-9200000000-cfb1a881741f833ef5bf
+PK$NUM_PEAK: 21
+PK$PEAK: m/z int. rel.int.
+  30.3 3212 23
+  41.3 3837 27
+  44.3 111360 782
+  56.2 9494 67
+  57.3 27495 193
+  72.3 142179 999
+  91.3 5775 41
+  106.1 1645 12
+  118.3 1504 11
+  129.9 1681 12
+  143.1 1569 11
+  180.2 4195 29
+  192.2 6065 43
+  193.1 54708 384
+  194.1 6226 44
+  195.0 2888 20
+  206.1 2811 20
+  207.2 2246 16
+  208.2 15838 111
+  220.2 4803 34
+  236.0 2401 17
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ03164.txt b/MSSJ/MSBNK-MSSJ-MSJ03164.txt
new file mode 100644
index 00000000000..3c7d1eb85b6
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ03164.txt
@@ -0,0 +1,60 @@
+ACCESSION: MSBNK-MSSJ-MSJ03164
+RECORD_TITLE: Desipramine; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 50 V; [M+H]+
+DATE: 2023.04.07
+AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+LICENSE: CC BY
+COPYRIGHT: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan.
+COMMENT: Original data are in the 20230407-1.xlsx file.
+COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 23HP8017 to the Mass Spectrometry Society of Japan.
+CH$NAME: Desipramine
+CH$COMPOUND_CLASS: Non-natural product
+CH$FORMULA: C18H22N2
+CH$EXACT_MASS: 266.17829
+CH$SMILES: CNCCCN1C2=CC=CC=C2CCC3=CC=CC=C31
+CH$IUPAC: InChI=1S/C18H22N2/c1-19-13-6-14-20-17-9-4-2-7-15(17)11-12-16-8-3-5-10-18(16)20/h2-5,7-10,19H,6,11-14H2,1H3
+CH$LINK: CAS 50-47-5
+CH$LINK: CHEMSPIDER 2888
+CH$LINK: INCHIKEY HCYAFALTSJYZDH-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:2995
+AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan).
+AC$INSTRUMENT_TYPE: LC-ESI-QQ
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$CHROMATOGRAPHY: COLUMN_NAME InertSustain C18 ID 2.1 microm, 2.1 x 100 mm (GL Science, Tokyo, Japan).
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, linear gradient from 90/10 to 2/98 at 0-9 min, 2/98 at 9-12 min, linear gradient from 2/98 to 90/10 at 12-12.1 min, 90/10 at 12.1-15 min.
+AC$CHROMATOGRAPHY: FLOW_RATE 200 microl/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.466 min
+AC$CHROMATOGRAPHY: SOLVENT A water with 10 mM ammonium formate
+AC$CHROMATOGRAPHY: SOLVENT B methanol
+MS$FOCUSED_ION: PRECURSOR_M/Z 267.185567
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+PK$SPLASH: splash10-0006-9300000000-7567c42a7f464179a4be
+PK$NUM_PEAK: 23
+PK$PEAK: m/z int. rel.int.
+  30.4 4526 33
+  41.3 6349 47
+  42.4 1646 12
+  44.3 135311 999
+  56.2 9734 72
+  57.2 34152 252
+  70.3 1602 12
+  72.2 46238 341
+  77.3 2126 16
+  89.3 1634 12
+  91.3 7794 58
+  118.1 2468 18
+  144.2 1593 12
+  152.2 2099 15
+  165.2 4970 37
+  167.1 8639 64
+  179.9 3673 27
+  191.2 4678 35
+  192.2 21094 156
+  193.1 34534 255
+  194.1 3971 29
+  206.0 2624 19
+  207.0 1555 11
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ04007.txt b/MSSJ/MSBNK-MSSJ-MSJ04007.txt
new file mode 100644
index 00000000000..7e1ef96c7bd
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ04007.txt
@@ -0,0 +1,247 @@
+ACCESSION: MSBNK-MSSJ-MSJ04007
+RECORD_TITLE: 5-(Diphenylsilyl)-1-methyl-1H-indole; GC-EI-TOF; MS; POSITIVE; 70 V
+DATE: 2023.12.04
+AUTHORS: Eiyu Imai, Molecular Structure Characterization Unit, RIKEN, Japan
+LICENSE: CC BY
+COPYRIGHT: Eiyu Imai, Molecular Structure Characterization Unit, RIKEN, Japan
+PUBLICATION: Yuanhong Ma, Baoli Wang, Liang Zhang, and Zhaomin Hou; J. Am. Chem. Soc. 2016, 138, 3663−3666. DOI: 10.1021/jacs.6b01349
+COMMENT: Original ID of the mass spectral data is A-151216_ma4MB/MYH-686_ei.xlsx
+COMMENT: JMS-T100GCV (JEOL, Akishima, Japan) is a reflectron time-of-flight (reTOF) mass spectrometer. Temperature of the ion-source and GC-transfer line were 200 C and 200 C, respectively. Resolving power (FWHM, nominal) was 7000.
+COMMENT: EI voltage was 70 V. Typical accuracy level expected was 5 ppm. The m/z value was adjusted with 313.1287.
+CH$NAME: 5-(Diphenylsilyl)-1-methyl-1H-indole
+CH$COMPOUND_CLASS: Non-natural compound
+CH$FORMULA: C21H19NSi
+CH$EXACT_MASS: 313.128672
+CH$SMILES: Cn1ccc2cc(ccc12)[SiH](c1ccccc1)c1ccccc1
+CH$IUPAC: InChI=1S/C21H19NSi/c1-22-15-14-17-16-20(12-13-21(17)22)23(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-16,23H,1H3
+CH$LINK: INCHIKEY UJCZHORZACISIH-UHFFFAOYSA-N
+AC$INSTRUMENT: JMS-T100GCV (JEOL, Akishima, Japan) coupled to Agilent 7890A (Santa Clara, CA, USA) gas chromatograph.
+AC$INSTRUMENT_TYPE: GC-EI-TOF
+AC$MASS_SPECTROMETRY: MS_TYPE MS
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION EI
+AC$CHROMATOGRAPHY: CARRIER_GAS He, flow rate 1.5 ml/min
+AC$CHROMATOGRAPHY: COLUMN_NAME ZB1-MS 7HM-G011-11 sn:313446 (Agilent, Wilmington, USA) with the length 30.0 m, I.D. 0.32 mm, and thickness 0.25 micrometer.
+AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE Initial oven temperature at 70 C for 4 min and ramped at the rate of 30 C/min to 325 C and held at the final temperature for 1.5 min.
+AC$CHROMATOGRAPHY: INJECTION_TEMPERATURE 250 C
+AC$CHROMATOGRAPHY: RETENTION_TIME 12.36 min
+PK$SPLASH: splash10-03ei-2975000000-2e709209a3e6869ce0a5
+PK$NUM_PEAK: 216
+PK$PEAK: m/z int. rel.int.
+  27.024 0.446 4
+  27.978 0.4159 4
+  28.007 1.1259 11
+  28.986 0.5905 6
+  31.99 0.6076 6
+  39.025 1.0837 11
+  42.035 0.9486 9
+  43.001 0.2851 3
+  43.993 0.3208 3
+  50.017 1.0048 10
+  51.025 4.0308 40
+  52.032 1.3188 13
+  52.986 6.2424 62
+  53.04 0.3323 3
+  53.985 0.6442 6
+  55.001 0.553 6
+  55.055 0.25 2
+  62.017 0.3133 3
+  63.025 1.2757 13
+  65.04 0.4691 5
+  65.994 0.5693 6
+  67.001 0.6377 6
+  74.018 0.2529 3
+  75.025 0.5221 5
+  76.033 1.0019 10
+  76.986 1.1252 11
+  77.041 7.7081 77
+  77.993 0.4253 4
+  78.049 11.2666 113
+  78.113 0.1655 2
+  78.519 0.3297 3
+  79.002 5.0965 51
+  79.053 0.9715 10
+  80.004 0.6274 6
+  80.055 0.1238 1
+  81.016 0.3466 3
+  87.026 0.2969 3
+  88.032 0.4265 4
+  89.041 2.2662 23
+  89.993 0.2982 3
+  90.047 0.9669 10
+  91.001 0.5908 6
+  91.056 3.0041 30
+  92.007 0.3119 3
+  93.017 0.3124 3
+  101.041 0.5756 6
+  102.049 2.3724 24
+  103.002 4.3961 44
+  103.056 3.6977 37
+  103.527 0.3355 3
+  104.007 1.1753 12
+  104.054 0.4901 5
+  104.535 0.2237 2
+  105.017 44.1332 441
+  106.019 5.4377 54
+  107.016 1.6923 17
+  108.027 0.3003 3
+  109.526 0.3646 4
+  110.03 2.4726 25
+  110.531 0.4949 5
+  114.04 0.3678 4
+  115.055 2.4741 25
+  116.01 0.6604 7
+  116.054 0.9751 10
+  116.534 1.7663 18
+  117.02 1.7612 18
+  117.542 11.6575 116
+  117.625 0.1707 2
+  118.043 2.757 28
+  118.541 0.6828 7
+  119.029 0.4732 5
+  126.048 0.3198 3
+  127.056 0.4713 5
+  128.054 1.9351 19
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+  129.061 1.3412 13
+  130.017 2.2306 22
+  130.067 12.0883 121
+  131.032 2.444 24
+  131.075 10.2 102
+  132.03 2.1709 22
+  132.079 1.1883 12
+  133.032 0.5228 5
+  134.042 0.4679 5
+  135.047 0.2902 3
+  139.057 0.9286 9
+  140.056 0.3362 3
+  141.018 0.4174 4
+  141.07 0.2319 2
+  142.018 0.7158 7
+  143.023 1.104 11
+  144.028 0.9176 9
+  145.03 0.1826 2
+  148.046 0.3694 4
+  150.047 0.2257 2
+  151.056 0.6112 6
+  152.064 1.8515 18
+  153.018 0.8003 8
+  153.071 0.9332 9
+  153.541 0.2574 3
+  154.024 0.5939 6
+  154.076 0.8867 9
+  154.549 0.7639 8
+  155.033 4.0508 40
+  155.557 0.7584 8
+  156.029 15.8041 158
+  156.294 0.1491 1
+  156.565 2.2152 22
+  157.032 2.9256 29
+  158.043 6.2448 62
+  159.046 1.0621 11
+  160.046 0.2745 3
+  163.056 0.6563 7
+  164.063 0.611 6
+  165.019 0.2037 2
+  165.072 4.065 41
+  166.025 0.4357 4
+  166.074 0.9036 9
+  167.032 1.3239 13
+  167.084 0.9265 9
+  168.035 0.4482 4
+  168.086 0.2767 3
+  169.04 0.348 3
+  170.045 0.1898 2
+  176.064 0.4862 5
+  177.016 0.1635 2
+  177.069 0.4622 5
+  178.024 0.2305 2
+  178.079 1.3487 13
+  179.034 1.932 19
+  179.084 0.5746 6
+  180.041 8.223 82
+  180.167 0.1838 2
+  181.048 30.4775 304
+  182.053 8.8106 88
+  182.239 0.1262 1
+  183.061 4.2049 42
+  183.159 0.1628 2
+  184.062 0.774 8
+  185.062 0.2037 2
+  189.071 0.4901 5
+  190.068 0.9077 9
+  191.032 1.8864 19
+  191.076 1.0883 11
+  192.038 1.3992 14
+  193.046 2.5812 26
+  194.048 0.9371 9
+  195.055 0.4925 5
+  196.059 0.2435 2
+  203.033 0.2372 2
+  203.075 0.2122 2
+  204.083 4.0079 40
+  205.048 1.6271 16
+  206.046 2.0427 20
+  206.099 2.8657 29
+  206.235 0.1344 1
+  207.062 4.7266 47
+  207.106 4.1334 41
+  208.067 2.7009 27
+  209.073 1.2441 12
+  210.075 1.1449 11
+  211.079 0.2548 3
+  216.034 0.1989 2
+  217.041 0.618 6
+  218.044 1.4941 15
+  219.051 4.6825 47
+  220.058 4.156 42
+  221.062 1.1119 11
+  222.071 0.6038 6
+  230.045 0.9544 10
+  231.051 0.3798 4
+  232.059 4.6187 46
+  233.067 10.5549 105
+  233.197 0.1787 2
+  233.333 0.1876 2
+  234.075 38.2916 383
+  234.206 1.0529 11
+  235.082 47.6034 476
+  236.089 52.4971 524
+  236.793 0.1353 1
+  236.853 0.1481 1
+  237.091 11.0316 110
+  237.216 0.1676 2
+  237.309 0.1481 1
+  238.089 2.3597 24
+  239.089 0.8196 8
+  240.09 0.2182 2
+  241.049 0.2755 3
+  243.055 0.1895 2
+  257.074 0.1462 1
+  265.047 0.3013 3
+  266.052 0.2004 2
+  267.061 0.4024 4
+  268.066 0.2753 3
+  269.076 0.2442 2
+  270.076 0.2131 2
+  281.056 0.3923 4
+  282.06 0.1599 2
+  283.088 0.1476 1
+  293.066 0.3454 3
+  294.073 0.6433 6
+  295.079 0.5002 5
+  296.091 0.8877 9
+  297.096 0.5342 5
+  298.106 0.9968 10
+  299.106 0.2481 2
+  308.09 0.3174 3
+  310.106 1.4806 15
+  311.11 0.5517 6
+  312.122 18.4723 185
+  312.372 0.1532 2
+  313.129 100 999
+  313.762 0.1789 2
+  314.131 26.8884 269
+  315.13 6.4642 65
+  316.131 0.9985 10
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ04008.txt b/MSSJ/MSBNK-MSSJ-MSJ04008.txt
new file mode 100644
index 00000000000..669f7a9f188
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ04008.txt
@@ -0,0 +1,153 @@
+ACCESSION: MSBNK-MSSJ-MSJ04008
+RECORD_TITLE: (3,5-Dimethylphenyl)dimethylsilane; GC-EI-TOF; MS; POSITIVE; 70 V
+DATE: 2023.12.04
+AUTHORS: Eiyu Imai, Molecular Structure Characterization Unit, RIKEN, Japan
+LICENSE: CC BY
+COPYRIGHT: Eiyu Imai, Molecular Structure Characterization Unit, RIKEN, Japan
+PUBLICATION: Yuanhong Ma, Liang Zhang, Yong Luo, Masayoshi Nishiura and Zhaomin Hou; J. Am. Chem. Soc. 2017, 139, 12434−12437. DOI: 10.1021/jacs.7b08053
+COMMENT: Original ID of the mass spectral data is A_161125_ma4MB/MYH-776_ei.xlsx
+COMMENT: JMS-T100GCV (JEOL, Akishima, Japan) is a reflectron time-of-flight (reTOF) mass spectrometer. Temperature of the ion-source and GC-transfer line were 200 C and 250 C, respectively. Resolving power (FWHM, nominal) was 7000.
+COMMENT: EI voltage was 70 V. Typical accuracy level expected was 5 ppm. The m/z value was adjusted with 164.1021.
+CH$NAME: (3,5-Dimethylphenyl)dimethylsilane
+CH$COMPOUND_CLASS: Non-natural compound
+CH$FORMULA: C10H16Si
+CH$EXACT_MASS: 164.102127
+CH$SMILES: CC1=CC(=CC(=C1)[SiH](C)C)C
+CH$IUPAC: InChI=1S/C10H16Si/c1-8-5-9(2)7-10(6-8)11(3)4/h5-7,11H,1-4H3
+CH$LINK: CHEMSPIDER 110798934
+CH$LINK: INCHIKEY PHKJAFSQKHFJQH-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:125121139
+AC$INSTRUMENT: JMS-T100GCV (JEOL, Akishima, Japan) coupled to Agilent 7890A (Santa Clara, CA, USA) gas chromatograph.
+AC$INSTRUMENT_TYPE: GC-EI-TOF
+AC$MASS_SPECTROMETRY: MS_TYPE MS
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION EI
+AC$CHROMATOGRAPHY: CARRIER_GAS He, flow rate 1.5 ml/min
+AC$CHROMATOGRAPHY: COLUMN_NAME HP-5 19091J-413 USD364547H (Agilent, Wilmington, USA) with the length 30.0 m, I.D. 0.32 mm, and thickness 0.25 micrometer.
+AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE Initial oven temperature at 70 C for 4 min and ramped at the rate of 30 C/min to 320 C and held at the final temperature for 1.67 min.
+AC$CHROMATOGRAPHY: INJECTION_TEMPERATURE 250 C
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.32 min
+PK$SPLASH: splash10-01ot-6900000000-a689dd93c95909a86cfe
+PK$NUM_PEAK: 120
+PK$PEAK: m/z int. rel.int.
+  26.752 0.5674 6
+  27.024 3.0037 30
+  27.977 1.3401 13
+  28.006 2.6086 26
+  28.985 2.9146 29
+  29.889 0.5074 5
+  31.001 2.3026 23
+  31.989 1.2142 12
+  34.526 0.5384 5
+  38.014 0.6275 6
+  39.024 5.0042 50
+  39.206 0.7127 7
+  40.03 0.856 9
+  41.039 1.4583 15
+  41.993 1.3963 14
+  43.001 24.6258 246
+  44.009 2.7538 28
+  44.052 0.4319 4
+  45.017 3.0618 31
+  47.748 0.5113 5
+  48.68 0.4745 5
+  50.017 1.3517 14
+  51.024 3.2128 32
+  52.032 1.2685 13
+  52.985 6.2978 63
+  53.04 1.7952 18
+  53.992 1.0167 10
+  55.001 2.8584 29
+  57.017 1.2491 12
+  58.024 22.449 224
+  58.091 0.7766 8
+  59.032 25.4682 254
+  60.03 1.9715 20
+  61.031 0.9296 9
+  62.014 0.7359 7
+  63.025 2.6628 27
+  65.039 2.1767 22
+  65.994 1.7972 18
+  67 5.4786 55
+  67.059 0.4841 5
+  68.002 0.9392 9
+  69.016 2.7655 28
+  72.04 5.6491 56
+  73.026 0.6759 7
+  73.047 1.4157 14
+  74.035 1.2627 13
+  74.539 0.6662 7
+  75.025 0.6042 6
+  76.036 0.7417 7
+  76.983 1.2297 12
+  77.04 6.8536 68
+  78.047 2.8236 28
+  79 2.0257 20
+  79.055 3.8635 39
+  81.016 1.7623 18
+  81.549 0.734 7
+  83.032 2.1748 22
+  84.026 0.641 6
+  89.041 1.1155 11
+  89.542 0.5229 5
+  89.624 0.5016 5
+  91.001 0.5849 6
+  91.055 6.7548 67
+  92.01 0.5597 6
+  92.055 1.0109 10
+  93.017 3.0889 31
+  94.024 0.519 5
+  94.249 0.5229 5
+  95.032 2.0838 21
+  97.046 0.7979 8
+  102.048 1.0051 10
+  103.056 4.3573 44
+  104.063 1.7855 18
+  105.016 5.7052 57
+  105.071 7.4869 75
+  106.02 1.162 12
+  106.077 2.3607 24
+  107.032 4.2276 42
+  109.047 1.6442 16
+  115.056 1.1716 12
+  116.965 0.5403 5
+  117.017 1.0496 10
+  117.069 0.8676 9
+  118.028 0.5306 5
+  119.032 4.8609 49
+  119.087 1.8824 19
+  120.033 0.7766 8
+  121.048 7.1441 71
+  122.049 0.7727 8
+  123.061 0.794 8
+  127.101 0.5016 5
+  131.031 5.0855 51
+  132.035 1.0458 10
+  133.048 7.3087 73
+  134.051 1.1833 12
+  135.062 3.8616 39
+  136.065 0.8792 9
+  141.073 0.5248 5
+  145.048 7.7638 78
+  146.051 1.4311 14
+  147.062 7.9613 80
+  147.336 0.579 6
+  148.068 2.8642 29
+  149.079 100 999
+  149.511 0.5616 6
+  150.081 14.5477 145
+  151.077 3.4646 35
+  159.063 1.2801 13
+  161.083 0.5481 5
+  163.094 14.9641 149
+  164.102 39.8784 398
+  165.104 6.1042 61
+  166.1 1.9734 20
+  167.54 0.6972 7
+  220.384 0.4241 4
+  227.76 0.4996 5
+  262.576 0.5539 6
+  284.212 0.5829 6
+  284.427 0.4241 4
+  292.147 0.5829 6
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ04009.txt b/MSSJ/MSBNK-MSSJ-MSJ04009.txt
new file mode 100644
index 00000000000..6a0b68c1d29
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ04009.txt
@@ -0,0 +1,127 @@
+ACCESSION: MSBNK-MSSJ-MSJ04009
+RECORD_TITLE: (2-Chlorophenyl)dimethylsilane; GC-EI-TOF; MS; POSITIVE; 70 V
+DATE: 2023.12.04
+AUTHORS: Eiyu Imai, Molecular Structure Characterization Unit, RIKEN, Japan
+LICENSE: CC BY
+COPYRIGHT: Eiyu Imai, Molecular Structure Characterization Unit, RIKEN, Japan
+PUBLICATION: Yuanhong Ma, Liang Zhang, Yong Luo, Masayoshi Nishiura and Zhaomin Hou; J. Am. Chem. Soc. 2017, 139, 12434−12437. DOI: 10.1021/jacs.7b08053
+COMMENT: Original ID of the mass spectral data is A_161125_ma4MB/MYH-923_ei.xlsx
+COMMENT: JMS-T100GCV (JEOL, Akishima, Japan) is a reflectron time-of-flight (reTOF) mass spectrometer. Temperature of the ion-source and GC-transfer line were 200 C and 250 C, respectively. Resolving power (FWHM, nominal) was 7000.
+COMMENT: EI voltage was 70 V. Typical accuracy level expected was 5 ppm. The m/z value was adjusted with 170.0319.
+CH$NAME: (2-Chlorophenyl)dimethylsilane
+CH$COMPOUND_CLASS: Non-natural compound
+CH$FORMULA: C8H11ClSi
+CH$EXACT_MASS: 170.031855
+CH$SMILES: Clc1ccccc1[SiH](C)C
+CH$IUPAC: InChI=1S/C8H11ClSi/c1-10(2)8-6-4-3-5-7(8)9/h3-6,10H,1-2H3
+CH$LINK: INCHIKEY MJFCNFYMQKDFRU-UHFFFAOYSA-N
+AC$INSTRUMENT: JMS-T100GCV (JEOL, Akishima, Japan) coupled to Agilent 7890A (Santa Clara, CA, USA) gas chromatograph.
+AC$INSTRUMENT_TYPE: GC-EI-TOF
+AC$MASS_SPECTROMETRY: MS_TYPE MS
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION EI
+AC$CHROMATOGRAPHY: CARRIER_GAS He, flow rate 1.5 ml/min
+AC$CHROMATOGRAPHY: COLUMN_NAME HP-5 19091J-413 USD364547H (Agilent, Wilmington, USA) with the length 30.0 m, I.D. 0.32 mm, and thickness 0.25 micrometer.
+AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE Initial oven temperature at 70 C for 4 min and ramped at the rate of 30 C/min to 320 C and held at the final temperature for 1.67 min.
+AC$CHROMATOGRAPHY: INJECTION_TEMPERATURE 250 C
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.26 min
+PK$SPLASH: splash10-0a4i-9600000000-8e1f46d6bda2151a3123
+PK$NUM_PEAK: 96
+PK$PEAK: m/z int. rel.int.
+  21.603 0.7702 8
+  26.015 0.6885 7
+  27.025 4.4086 44
+  27.977 1.6757 17
+  28.006 2.8683 29
+  28.986 2.6139 26
+  29.085 0.5788 6
+  31.001 1.545 15
+  31.989 1.9161 19
+  38.017 0.8145 8
+  39.024 4.1449 41
+  41.041 1.2043 12
+  41.994 2.5112 25
+  43.001 15.2539 152
+  44.003 1.4703 15
+  48.194 0.5531 6
+  50.017 7.8954 79
+  51.024 6.6911 67
+  52.985 9.2326 92
+  53.989 1.2743 13
+  55.001 1.3023 13
+  58.025 10.0845 101
+  59.033 3.9115 39
+  60.025 0.6255 6
+  62.946 45.7804 457
+  63.023 4.3829 44
+  63.947 2.4295 24
+  64.944 16.0544 160
+  65.04 5.4285 54
+  65.943 1.44 14
+  65.992 2.0118 20
+  66.96 1.1412 11
+  67 2.1145 21
+  70.078 0.5251 5
+  70.642 0.6861 7
+  73.013 0.7538 8
+  74.016 3.7668 38
+  75.024 5.1531 51
+  76.033 4.537 45
+  76.985 4.4249 44
+  77.04 4.5743 46
+  77.31 0.5741 6
+  77.975 2.2428 22
+  78.05 0.7865 8
+  78.978 6.6397 66
+  79.971 1.2323 12
+  80.975 2.1378 21
+  84.513 0.9335 9
+  85.517 0.5391 5
+  88.962 1.1903 12
+  89.04 3.02 30
+  89.995 0.6838 7
+  90.046 0.9195 9
+  91 0.9312 9
+  91.056 45.7828 457
+  91.129 0.8822 9
+  92.059 3.1903 32
+  92.993 16.2738 163
+  93.993 1.0456 10
+  94.99 5.5242 55
+  100.985 1.0666 11
+  102.978 2.4319 24
+  104.007 0.8355 8
+  104.069 0.8985 9
+  105.017 5.6245 56
+  105.069 0.8799 9
+  107.032 0.7422 7
+  111.004 1.1856 12
+  112.01 1.5263 15
+  117.015 1.7224 17
+  119.033 7.0715 71
+  120.033 1.5823 16
+  126.978 1.8251 18
+  128.985 1.1739 12
+  131.034 1.1926 12
+  133.049 2.6582 27
+  135.064 1.5707 16
+  138.976 1.1622 12
+  139.986 0.9149 9
+  140.994 3.7435 37
+  141.993 1.0829 11
+  142.989 1.7154 17
+  152.995 2.0118 20
+  153.995 1.1179 11
+  155.009 100 999
+  155.246 0.7142 7
+  156.011 12.6004 126
+  157.006 35.9713 359
+  157.174 0.5391 5
+  158.008 4.4226 44
+  159.001 1.1973 12
+  169.024 4.3153 43
+  170.032 8.2198 82
+  171.027 2.2918 23
+  172.029 2.7376 27
+  173.042 0.5835 6
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ04010.txt b/MSSJ/MSBNK-MSSJ-MSJ04010.txt
new file mode 100644
index 00000000000..deaf571f93e
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ04010.txt
@@ -0,0 +1,139 @@
+ACCESSION: MSBNK-MSSJ-MSJ04010
+RECORD_TITLE: 2-(Dimethylsilyl)-1-methyl-1H-indole; GC-EI-TOF; MS; POSITIVE; 70 V
+DATE: 2023.12.04
+AUTHORS: Eiyu Imai, Molecular Structure Characterization Unit, RIKEN, Japan
+LICENSE: CC BY
+COPYRIGHT: Eiyu Imai, Molecular Structure Characterization Unit, RIKEN, Japan
+PUBLICATION: Yuanhong Ma, Liang Zhang, Yong Luo, Masayoshi Nishiura and Zhaomin Hou; J. Am. Chem. Soc. 2017, 139, 12434−12437. DOI: 10.1021/jacs.7b08053
+COMMENT: Original ID of the mass spectral data is A_161125_ma4MB/MYH-1029_ei.xlsx
+COMMENT: JMS-T100GCV (JEOL, Akishima, Japan) is a reflectron time-of-flight (reTOF) mass spectrometer. Temperature of the ion-source and GC-transfer line were 200 C and 250 C, respectively. Resolving power (FWHM, nominal) was 7000.
+COMMENT: EI voltage was 70 V. Typical accuracy level expected was 5 ppm. The m/z value was adjusted with 189.0974.
+CH$NAME: 2-(Dimethylsilyl)-1-methyl-1H-indole
+CH$COMPOUND_CLASS: Non-natural compound
+CH$FORMULA: C11H15NSi
+CH$EXACT_MASS: 189.097372
+CH$SMILES: C[SiH](C)c1cc2ccccc2n1C
+CH$IUPAC: InChI=1S/C11H15NSi/c1-12-10-7-5-4-6-9(10)8-11(12)13(2)3/h4-8,13H,1-3H3
+CH$LINK: INCHIKEY CPAANNNWJHTNNJ-UHFFFAOYSA-N
+AC$INSTRUMENT: JMS-T100GCV (JEOL, Akishima, Japan) coupled to Agilent 7890A (Santa Clara, CA, USA) gas chromatograph.
+AC$INSTRUMENT_TYPE: GC-EI-TOF
+AC$MASS_SPECTROMETRY: MS_TYPE MS
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION EI
+AC$CHROMATOGRAPHY: CARRIER_GAS He, flow rate 1.5 ml/min
+AC$CHROMATOGRAPHY: COLUMN_NAME HP-5 19091J-413 USD364547H (Agilent, Wilmington, USA) with the length 30.0 m, I.D. 0.32 mm, and thickness 0.25 micrometer.
+AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE Initial oven temperature at 70 C for 4 min and ramped at the rate of 30 C/min to 320 C and held at the final temperature for 1.67 min.
+AC$CHROMATOGRAPHY: INJECTION_TEMPERATURE 250 C
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.72 min
+PK$SPLASH: splash10-00dr-3900000000-13efc74b0e802f5b13e8
+PK$NUM_PEAK: 108
+PK$PEAK: m/z int. rel.int.
+  27.024 1.5037 15
+  27.978 2.5402 25
+  28.006 2.0578 21
+  28.986 3.1247 31
+  29.669 0.7692 8
+  31.001 2.1404 21
+  31.989 1.4407 14
+  39.024 2.7684 28
+  39.343 0.8801 9
+  41.994 1.5037 15
+  43.001 22.1317 221
+  44.009 3.4681 35
+  45.017 4.2547 43
+  50.017 1.5884 16
+  51.024 2.5445 25
+  52.035 0.6323 6
+  52.985 5.2847 53
+  53.038 0.7279 7
+  53.98 1.2473 12
+  54.981 0.8388 8
+  55.001 1.5298 15
+  55.997 1.1321 11
+  57.017 0.9431 9
+  58.027 6.3364 63
+  59.032 7.4924 75
+  60.031 0.8779 9
+  62.016 1.3168 13
+  63.024 3.9179 39
+  64.025 1.1321 11
+  65.993 1.1582 12
+  67 1.4993 15
+  69.017 1.1495 11
+  70.02 0.7388 7
+  74.023 1.1039 11
+  75.022 1.9948 20
+  76.031 1.5341 15
+  76.984 1.2799 13
+  77.04 4.7892 48
+  78.042 1.1951 12
+  79.001 0.8887 9
+  83.032 0.7671 8
+  84.029 1.2299 12
+  87.037 1.6906 17
+  88.028 0.93 9
+  89.04 5.2477 52
+  90.046 1.5102 15
+  90.994 0.8822 9
+  91.055 2.1904 22
+  93.02 1.2668 13
+  94.045 1.3299 13
+  94.549 2.3598 24
+  95.047 0.9279 9
+  101.042 1.4646 15
+  102.048 2.9748 30
+  103.002 1.2017 12
+  103.055 4.0026 40
+  104.052 0.8388 8
+  105.017 3.9635 40
+  106.018 1.0756 11
+  115.056 4.1808 42
+  116.054 1.8144 18
+  117.015 3.3507 33
+  117.06 1.106 11
+  118.018 1.4733 15
+  119.032 2.4098 24
+  120.029 0.9691 10
+  121.044 0.8214 8
+  128.05 2.5989 26
+  129.016 1.4081 14
+  129.059 1.4211 14
+  130.017 1.7688 18
+  130.067 19.535 195
+  131.074 18.518 185
+  132.031 2.9639 30
+  132.078 2.8292 28
+  133.042 1.8166 18
+  134.043 2.4772 25
+  142.009 0.7258 7
+  143.02 2.5945 26
+  143.077 1.395 14
+  144.026 2.8553 29
+  144.081 6.671 67
+  144.181 0.6758 7
+  145.047 4.5915 46
+  146.044 5.0282 50
+  147.06 1.5797 16
+  148.058 3.5963 36
+  156.027 3.8853 39
+  157.028 0.9605 10
+  158.044 3.166 32
+  159.049 1.4863 15
+  160.057 1.0756 11
+  162.074 0.867 9
+  170.043 1.5537 16
+  172.058 2.1599 22
+  173.068 1.8861 19
+  174.074 100 999
+  175.077 15.4976 155
+  175.179 0.8192 8
+  176.074 4.2373 42
+  176.18 0.804 8
+  180.222 0.6693 7
+  186.07 0.7931 8
+  188.089 8.6658 87
+  189.097 59.0613 590
+  189.302 0.6432 6
+  190.1 9.598 96
+  191.096 2.8596 29
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ04011.txt b/MSSJ/MSBNK-MSSJ-MSJ04011.txt
new file mode 100644
index 00000000000..58cef9bc196
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ04011.txt
@@ -0,0 +1,192 @@
+ACCESSION: MSBNK-MSSJ-MSJ04011
+RECORD_TITLE: 2-(Dimethyl(phenyl)silyl)-1-methyl-1H-indole; GC-EI-TOF; MS; POSITIVE; 70 V
+DATE: 2023.12.04
+AUTHORS: Eiyu Imai, Molecular Structure Characterization Unit, RIKEN, Japan
+LICENSE: CC BY
+COPYRIGHT: Eiyu Imai, Molecular Structure Characterization Unit, RIKEN, Japan
+PUBLICATION: Yuanhong Ma, Liang Zhang, Yong Luo, Masayoshi Nishiura and Zhaomin Hou; J. Am. Chem. Soc. 2017, 139, 12434−12437. DOI: 10.1021/jacs.7b08053
+COMMENT: Original ID of the mass spectral data is A_161125_ma4MB/MYH-1037_ei.xlsx
+COMMENT: JMS-T100GCV (JEOL, Akishima, Japan) is a reflectron time-of-flight (reTOF) mass spectrometer. Temperature of the ion-source and GC-transfer line were 200 C and 250 C, respectively. Resolving power (FWHM, nominal) was 7000.
+COMMENT: EI voltage was 70 V. Typical accuracy level expected was 5 ppm. The m/z value was adjusted with 265.1287.
+CH$NAME: 2-(Dimethyl(phenyl)silyl)-1-methyl-1H-indole
+CH$COMPOUND_CLASS: Non-natural compound
+CH$FORMULA: C17H19NSi
+CH$EXACT_MASS: 265.128672
+CH$SMILES: CN1C2=CC=CC=C2C=C1[Si](C)(C)C3=CC=CC=C3
+CH$IUPAC: InChI=1S/C17H19NSi/c1-18-16-12-8-7-9-14(16)13-17(18)19(2,3)15-10-5-4-6-11-15/h4-13H,1-3H3
+CH$LINK: INCHIKEY RMAKJHNNKMBJEA-UHFFFAOYSA-N
+CH$LINK: PUBCHEM CID:167452802
+AC$INSTRUMENT: JMS-T100GCV (JEOL, Akishima, Japan) coupled to Agilent 7890A (Santa Clara, CA, USA) gas chromatograph.
+AC$INSTRUMENT_TYPE: GC-EI-TOF
+AC$MASS_SPECTROMETRY: MS_TYPE MS
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION EI
+AC$CHROMATOGRAPHY: CARRIER_GAS He, flow rate 1.5 ml/min
+AC$CHROMATOGRAPHY: COLUMN_NAME HP-5 19091J-413 USD364547H (Agilent, Wilmington, USA) with the length 30.0 m, I.D. 0.32 mm, and thickness 0.25 micrometer.
+AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE Initial oven temperature at 70 C for 4 min and ramped at the rate of 30 C/min to 320 C and held at the final temperature for 1.67 min.
+AC$CHROMATOGRAPHY: INJECTION_TEMPERATURE 250 C
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.91 min
+PK$SPLASH: splash10-0gb9-3590000000-487f7cb00ad0107511a8
+PK$NUM_PEAK: 160
+PK$PEAK: m/z int. rel.int.
+  27.023 1.3414 13
+  27.978 0.9172 9
+  28.007 1.9766 20
+  28.986 2.4896 25
+  31.003 0.7173 7
+  31.179 0.6174 6
+  31.99 1.4724 15
+  39.024 3.3358 33
+  42.034 0.9061 9
+  43.001 17.7471 177
+  44.006 1.3925 14
+  45.017 1.6013 16
+  50.016 2.3208 23
+  51.025 6.1963 62
+  52.03 1.2548 13
+  52.985 5.2568 53
+  53.984 1.2415 12
+  55 1.0682 11
+  57.017 0.7351 7
+  58.026 7.2556 72
+  59.032 4.9282 49
+  60.032 0.8017 8
+  63.025 2.956 30
+  65.041 2.5185 25
+  65.991 1.1215 11
+  66.041 0.6685 7
+  67.003 1.5391 15
+  69.017 1.3592 14
+  74.018 0.6507 7
+  75.023 1.5435 15
+  76.032 1.8234 18
+  76.984 1.488 15
+  77.04 6.8315 68
+  78.002 0.6485 6
+  78.049 5.208 52
+  79.001 2.3164 23
+  81.017 1.1193 11
+  83.032 1.2992 13
+  89.041 5.2902 53
+  90.044 1.2881 13
+  90.997 0.8439 8
+  91.056 11.2133 112
+  92.061 1.1504 11
+  93.016 3.5934 36
+  94.019 0.7795 8
+  95.035 1.0816 11
+  101.038 1.3014 13
+  102.048 2.634 26
+  103 2.1187 21
+  103.055 2.6273 26
+  104.011 0.7995 8
+  104.06 0.8373 8
+  105.018 13.7162 137
+  106.018 2.0565 21
+  107.032 2.8139 28
+  110.029 1.5235 15
+  110.535 1.0682 11
+  114.039 0.6752 7
+  115.055 4.1664 42
+  116.058 1.5235 15
+  116.533 1.4902 15
+  117.036 6.5161 65
+  117.54 2.9938 30
+  118.034 1.166 12
+  118.542 0.5663 6
+  119.032 6.2962 63
+  120.035 1.7523 18
+  121.048 8.1151 81
+  122.051 1.0261 10
+  123.541 1.6346 16
+  124.045 6.7226 67
+  124.179 0.5819 6
+  124.549 4.7505 47
+  125.052 5.5633 56
+  125.556 1.4613 15
+  128.054 2.252 22
+  129.017 1.8789 19
+  129.063 1.488 15
+  130.019 1.9522 20
+  130.067 6.3517 63
+  131.032 2.7717 28
+  131.073 3.0493 30
+  132.03 2.4452 24
+  132.565 2.1831 22
+  133.047 2.9271 29
+  134.048 2.6251 26
+  135.065 4.2952 43
+  143.027 2.6206 26
+  143.07 1.8811 19
+  144.029 2.0388 20
+  144.082 6.1741 62
+  145.048 2.845 28
+  146.045 2.745 27
+  147.051 1.1038 11
+  148.059 0.6041 6
+  156.029 3.6556 37
+  157.041 0.7795 8
+  158.042 2.2498 22
+  159.056 1.1282 11
+  160.056 0.8684 9
+  161.085 0.5863 6
+  165.072 3.8244 38
+  166.074 1.0549 11
+  167.025 0.9683 10
+  169.042 0.7085 7
+  170.044 2.9627 30
+  171.034 0.7706 8
+  172.06 3.1181 31
+  173.065 1.4058 14
+  174.071 0.9483 9
+  177.06 0.6863 7
+  178.079 2.765 28
+  178.301 0.7995 8
+  179.096 1.2548 13
+  181.05 1.0016 10
+  186.069 1.4502 14
+  187.08 1.6124 16
+  188.09 4.9903 50
+  189.088 0.9772 10
+  190.074 0.9727 10
+  191.035 1.0061 10
+  191.079 1.1526 12
+  192.08 1.1415 11
+  193.05 1.4502 14
+  194.045 0.9417 9
+  195.062 1.1238 11
+  203.082 0.8639 9
+  204.081 4.3796 44
+  205.083 1.1726 12
+  206.096 4.1309 41
+  207.104 6.5139 65
+  208.105 1.5391 15
+  208.174 0.5797 6
+  209.086 0.6974 7
+  218.108 0.7884 8
+  219.053 3.6978 37
+  220.059 3.6245 36
+  221.072 1.3303 13
+  222.079 0.9528 10
+  230.034 0.5108 5
+  232.06 3.0226 30
+  233.067 3.0115 30
+  234.074 6.6316 66
+  235.078 2.4763 25
+  246.07 0.9683 10
+  247.085 1.126 11
+  248.09 45.4749 454
+  248.365 2.3119 23
+  249.094 12.7235 127
+  249.385 0.6218 6
+  250.105 71.3305 713
+  251.108 15.7283 157
+  252.106 3.7355 37
+  253.11 0.6285 6
+  264.122 5.9342 59
+  265.129 100 999
+  266.132 22.4576 224
+  266.256 0.7862 8
+  267.13 6.2052 62
+  268.131 1.0949 11
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ04012.txt b/MSSJ/MSBNK-MSSJ-MSJ04012.txt
new file mode 100644
index 00000000000..3fea2976e67
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ04012.txt
@@ -0,0 +1,180 @@
+ACCESSION: MSBNK-MSSJ-MSJ04012
+RECORD_TITLE: Dibenzo[b,d]thiophen-4-yldimethylsilane; GC-EI-TOF; MS; POSITIVE; 70 V
+DATE: 2023.12.04
+AUTHORS: Eiyu Imai, Molecular Structure Characterization Unit, RIKEN, Japan
+LICENSE: CC BY
+COPYRIGHT: Eiyu Imai, Molecular Structure Characterization Unit, RIKEN, Japan
+PUBLICATION: Yuanhong Ma, Liang Zhang, Yong Luo, Masayoshi Nishiura and Zhaomin Hou; J. Am. Chem. Soc. 2017, 139, 12434−12437. DOI: 10.1021/jacs.7b08053
+COMMENT: Original ID of the mass spectral data is A_161207_ma4MB/MYH-802_ei.xlsx
+COMMENT: JMS-T100GCV (JEOL, Akishima, Japan) is a reflectron time-of-flight (reTOF) mass spectrometer. Temperature of the ion-source and GC-transfer line were 200 C and 250 C, respectively. Resolving power (FWHM, nominal) was 7000.
+COMMENT: EI voltage was 70 V. Typical accuracy level expected was 5 ppm. The m/z value was adjusted with 242.0585.
+CH$NAME: Dibenzo[b,d]thiophen-4-yldimethylsilane
+CH$COMPOUND_CLASS: Non-natural compound
+CH$FORMULA: C14H14SSi
+CH$EXACT_MASS: 242.058548
+CH$SMILES: C[SiH](C)c1cccc2c1sc1ccccc12
+CH$IUPAC: InChI=1S/C14H14SSi/c1-16(2)13-9-5-7-11-10-6-3-4-8-12(10)15-14(11)13/h3-9,16H,1-2H3
+CH$LINK: INCHIKEY JXHFJGNSTCTXFP-UHFFFAOYSA-N
+AC$INSTRUMENT: JMS-T100GCV (JEOL, Akishima, Japan) coupled to Agilent 7890A (Santa Clara, CA, USA) gas chromatograph.
+AC$INSTRUMENT_TYPE: GC-EI-TOF
+AC$MASS_SPECTROMETRY: MS_TYPE MS
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION EI
+AC$CHROMATOGRAPHY: CARRIER_GAS He, flow rate 1.5 ml/min
+AC$CHROMATOGRAPHY: COLUMN_NAME HP-5 19091J-413 USD364547H (Agilent, Wilmington, USA) with the length 30.0 m, I.D. 0.32 mm, and thickness 0.25 micrometer.
+AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE Initial oven temperature at 70 C for 4 min and ramped at the rate of 30 C/min to 320 C and held at the final temperature for 1.67 min.
+AC$CHROMATOGRAPHY: INJECTION_TEMPERATURE 250 C
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.53 min
+PK$SPLASH: splash10-004i-2490000000-151f80d5c62ad7b160ff
+PK$NUM_PEAK: 149
+PK$PEAK: m/z int. rel.int.
+  27.977 0.7561 8
+  28.006 1.4173 14
+  28.985 1.2032 12
+  31.001 0.8272 8
+  31.99 0.9382 9
+  39.024 0.8088 8
+  41.993 0.3052 3
+  43.001 17.3116 173
+  44.002 1.1683 12
+  44.98 0.4798 5
+  44.998 0.631 6
+  45.017 0.2337 2
+  50.016 0.3909 4
+  51.024 0.9991 10
+  52.986 2.0322 20
+  55.001 0.3794 4
+  57.017 0.473 5
+  58.025 3.488 35
+  59.032 1.7812 18
+  60.026 0.1702 2
+  60.958 0.2846 3
+  62.017 0.3643 4
+  63.024 1.3667 14
+  65.04 0.3672 4
+  67.001 0.4234 4
+  68.981 0.9883 10
+  74.016 0.7922 8
+  74.974 0.6857 7
+  75.024 1.9321 19
+  76.031 0.8098 8
+  76.986 0.9135 9
+  77.04 0.9679 10
+  79.003 0.2265 2
+  81.989 0.2779 3
+  86.017 0.4493 4
+  87.025 0.8703 9
+  88.031 0.3976 4
+  89.04 1.0767 11
+  91.002 0.2003 2
+  91.055 0.7087 7
+  92.495 0.2312 2
+  92.982 0.3113 3
+  98.017 0.521 5
+  99.025 0.9071 9
+  100.031 0.3393 3
+  100.986 0.2882 3
+  101.04 0.8934 9
+  102.048 0.3756 4
+  103.002 0.4452 4
+  105.007 0.228 2
+  105.503 1.3747 14
+  106.005 0.7565 8
+  106.509 0.9391 9
+  107.009 0.243 2
+  111.025 0.2363 2
+  113.04 1.0098 10
+  113.518 3.794 38
+  114.019 0.7682 8
+  114.517 0.3484 3
+  115.056 1.7054 17
+  120.526 1.5462 15
+  121.029 2.0518 20
+  121.529 0.4964 5
+  122.026 0.2763 3
+  125.04 2.0777 21
+  126.047 1.2512 12
+  127.055 0.7027 7
+  128.063 0.3017 3
+  129.017 0.5019 5
+  134.022 0.2086 2
+  137.041 0.7653 8
+  138.048 1.3734 14
+  139.056 7.3241 73
+  140.061 1.0509 10
+  141.016 0.3429 3
+  141.07 0.5849 6
+  145.013 0.2449 2
+  149.041 0.6583 7
+  150.048 5.771 58
+  151.055 7.8083 78
+  151.162 0.1258 1
+  152.063 8.0651 81
+  153.018 0.4824 5
+  153.069 1.5681 16
+  154.072 0.1842 2
+  155.032 0.3378 3
+  158.021 0.5981 6
+  160.99 0.5194 5
+  162.047 0.275 3
+  163.056 1.913 19
+  164.063 1.4648 15
+  165.071 8.4184 84
+  166.024 0.2741 3
+  166.076 1.8311 18
+  167.032 0.5332 5
+  167.085 0.792 8
+  169.015 0.1657 2
+  171.029 1.0335 10
+  175.004 0.2299 2
+  177.017 0.2014 2
+  178.079 0.2879 3
+  179.032 0.3947 4
+  179.084 0.2491 2
+  180.04 0.5352 5
+  181.048 1.7335 17
+  182.022 1.1962 12
+  183.029 1.9095 19
+  184.037 11.0231 110
+  184.989 0.7621 8
+  185.04 1.7236 17
+  186.033 0.5323 5
+  186.999 0.2034 2
+  191.034 0.263 3
+  193.048 0.5053 5
+  195.062 1.0481 10
+  196.036 0.3656 4
+  197.044 5.9618 60
+  198.049 1.1588 12
+  199.044 0.3474 3
+  201.02 1.1667 12
+  202.021 0.2342 2
+  208.989 0.2776 3
+  209.06 0.1192 1
+  209.997 1.3209 13
+  211.005 7.3653 74
+  211.126 0.1206 1
+  212.009 2.3057 23
+  213.007 0.8718 9
+  214.012 0.1827 2
+  223.005 3.3015 33
+  224.01 1.3556 14
+  225.02 7.0657 71
+  225.136 0.129 1
+  225.296 0.2501 2
+  226.024 2.1152 21
+  227.035 100 999
+  227.779 0.2718 3
+  228.038 20.0315 200
+  228.809 0.1571 2
+  229.033 9.0103 90
+  229.265 0.2902 3
+  230.035 1.4543 15
+  231.031 0.2836 3
+  239.035 0.4564 5
+  241.051 5.4985 55
+  242.059 40.4383 404
+  243.061 8.826 88
+  244.057 3.8138 38
+  245.058 0.6334 6
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ04013.txt b/MSSJ/MSBNK-MSSJ-MSJ04013.txt
new file mode 100644
index 00000000000..a054b315885
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ04013.txt
@@ -0,0 +1,278 @@
+ACCESSION: MSBNK-MSSJ-MSJ04013
+RECORD_TITLE: 3-(Furan-2-yldimethylsilyl)-N,N-dimethylaniline; GC-EI-TOF; MS; POSITIVE; 70 V
+DATE: 2023.12.04
+AUTHORS: Eiyu Imai, Molecular Structure Characterization Unit, RIKEN, Japan
+LICENSE: CC BY
+COPYRIGHT: Eiyu Imai, Molecular Structure Characterization Unit, RIKEN, Japan
+PUBLICATION: Yuanhong Ma, Liang Zhang, Yong Luo, Masayoshi Nishiura and Zhaomin Hou; J. Am. Chem. Soc. 2017, 139, 12434−12437. DOI: 10.1021/jacs.7b08053
+COMMENT: Original ID of the mass spectral data is A_161207_ma4MB/MYH-830_ei.xlsx
+COMMENT: JMS-T100GCV (JEOL, Akishima, Japan) is a reflectron time-of-flight (reTOF) mass spectrometer. Temperature of the ion-source and GC-transfer line were 200 C and 250 C, respectively. Resolving power (FWHM, nominal) was 7000.
+COMMENT: EI voltage was 70 V. Typical accuracy level expected was 5 ppm. The m/z value was adjusted with 245.1236.
+CH$NAME: 3-(Furan-2-yldimethylsilyl)-N,N-dimethylaniline
+CH$COMPOUND_CLASS: Non-natural compound
+CH$FORMULA: C14H19NOSi
+CH$EXACT_MASS: 245.123587
+CH$SMILES: C[Si](C)(c1ccco1)c1cccc(c1)N(C)C
+CH$IUPAC: InChI=1S/C14H19NOSi/c1-15(2)12-7-5-8-13(11-12)17(3,4)14-9-6-10-16-14/h5-11H,1-4H3
+CH$LINK: INCHIKEY NFHVTUCJKSCULK-UHFFFAOYSA-N
+AC$INSTRUMENT: JMS-T100GCV (JEOL, Akishima, Japan) coupled to Agilent 7890A (Santa Clara, CA, USA) gas chromatograph.
+AC$INSTRUMENT_TYPE: GC-EI-TOF
+AC$MASS_SPECTROMETRY: MS_TYPE MS
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION EI
+AC$CHROMATOGRAPHY: CARRIER_GAS He, flow rate 1.5 ml/min
+AC$CHROMATOGRAPHY: COLUMN_NAME HP-5 19091J-413 USD364547H (Agilent, Wilmington, USA) with the length 30.0 m, I.D. 0.32 mm, and thickness 0.25 micrometer.
+AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE Initial oven temperature at 70 C for 4 min and ramped at the rate of 30 C/min to 320 C and held at the final temperature for 1.67 min.
+AC$CHROMATOGRAPHY: INJECTION_TEMPERATURE 250 C
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.48 min
+PK$SPLASH: splash10-0002-4690000000-fa0d21eceb1181e4641d
+PK$NUM_PEAK: 247
+PK$PEAK: m/z int. rel.int.
+  27.024 0.4858 5
+  28.006 1.0713 11
+  28.985 0.5039 5
+  29.003 0.541 5
+  31.99 0.6553 7
+  38.016 0.3224 3
+  39.024 2.4448 24
+  41.039 0.2958 3
+  42.035 3.3362 33
+  43.001 6.4821 65
+  43.041 0.2187 2
+  44.001 0.4464 4
+  44.05 1.2022 12
+  44.98 2.9561 30
+  45.016 1.0729 11
+  46.996 0.3352 3
+  50.016 0.4324 4
+  51.024 2.4573 25
+  52.031 0.5099 5
+  52.985 2.478 25
+  53.04 0.6622 7
+  53.986 0.3177 3
+  55.001 1.2578 13
+  55.055 0.4371 4
+  55.997 0.4326 4
+  57.017 0.319 3
+  58.024 0.4823 5
+  58.996 0.2377 2
+  59.032 3.9448 39
+  60.033 0.2768 3
+  61.011 0.9453 9
+  63.024 1.0505 10
+  64.029 0.2966 3
+  65.04 2.0848 21
+  65.993 0.6095 6
+  66.039 0.3471 3
+  67.001 1.5614 16
+  67.048 0.1277 1
+  68.005 0.2793 3
+  68.051 0.2719 3
+  69.017 3.003 30
+  70.016 0.4442 4
+  71.032 0.8555 9
+  72.028 0.5086 5
+  73.526 0.9587 10
+  74.024 0.2226 2
+  74.534 0.9531 10
+  75.027 1.5833 16
+  76.032 0.7488 7
+  76.986 0.4147 4
+  77.04 3.2301 32
+  77.993 0.2165 2
+  78.047 1.3749 14
+  79.001 0.872 9
+  79.053 0.743 7
+  80.005 0.1615 2
+  80.534 0.5589 6
+  81.017 0.7536 8
+  81.541 0.7727 8
+  82.02 0.2346 2
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+  114.615 0.1447 1
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+  122.563 1.2537 13
+  123.027 0.2131 2
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+  125.043 5.1034 51
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+  141.018 0.2068 2
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+  143.075 0.6082 6
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+  144.083 1.9558 20
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+  149.064 0.704 7
+  150.053 0.1932 2
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+  155.033 0.3719 4
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+  156.03 0.5695 6
+  156.082 0.7315 7
+  157.045 0.4734 5
+  157.089 0.5234 5
+  158.053 1.0289 10
+  158.098 3.3054 33
+  159.062 1.0628 11
+  160.059 0.937 9
+  161.044 0.9331 9
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+  163.081 1.6419 16
+  164.065 0.563 6
+  165.069 0.1386 1
+  167.032 0.2133 2
+  167.076 0.2248 2
+  168.082 1.0202 10
+  169.046 0.7226 7
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+  172.059 1.0453 10
+  172.111 0.6454 6
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+  203.108 0.9359 9
+  204.085 17.299 173
+  205.087 2.8805 29
+  206.084 0.7633 8
+  212.089 0.5384 5
+  213.074 0.1555 2
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+  214.203 0.2302 2
+  215.077 8.9136 89
+  216.079 1.7847 18
+  217.077 0.4047 4
+  228.085 0.9091 9
+  229.091 0.6671 7
+  230.1 24.4324 244
+  231.102 4.5462 45
+  232.1 1.1441 11
+  232.307 0.194 2
+  242.1 0.2092 2
+  244.116 15.9713 160
+  245.124 100 999
+  245.9 0.2724 3
+  246.126 19.785 198
+  246.974 0.1408 1
+  247.124 4.7608 48
+  248.126 0.6454 6
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ04014.txt b/MSSJ/MSBNK-MSSJ-MSJ04014.txt
new file mode 100644
index 00000000000..deb9c37b30e
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ04014.txt
@@ -0,0 +1,261 @@
+ACCESSION: MSBNK-MSSJ-MSJ04014
+RECORD_TITLE: 3-(Dibenzo[b,d]thiophen-4-yldimethylsilyl)-N,N-dimethylaniline; GC-EI-TOF; MS; POSITIVE; 70 V
+DATE: 2023.12.04
+AUTHORS: Eiyu Imai, Molecular Structure Characterization Unit, RIKEN, Japan
+LICENSE: CC BY
+COPYRIGHT: Eiyu Imai, Molecular Structure Characterization Unit, RIKEN, Japan
+PUBLICATION: Yuanhong Ma, Liang Zhang, Yong Luo, Masayoshi Nishiura and Zhaomin Hou; J. Am. Chem. Soc. 2017, 139, 12434−12437. DOI: 10.1021/jacs.7b08053
+COMMENT: Original ID of the mass spectral data is A_161207_ma4MB/MYH-868_ei.xlsx
+COMMENT: JMS-T100GCV (JEOL, Akishima, Japan) is a reflectron time-of-flight (reTOF) mass spectrometer. Temperature of the ion-source and GC-transfer line were 200 C and 250 C, respectively. Resolving power (FWHM, nominal) was 7000.
+COMMENT: EI voltage was 70 V. Typical accuracy level expected was 5 ppm. The m/z value was adjusted with 361.1320.
+CH$NAME: 3-(Dibenzo[b,d]thiophen-4-yldimethylsilyl)-N,N-dimethylaniline
+CH$COMPOUND_CLASS: Non-natural compound
+CH$FORMULA: C22H23NSSi
+CH$EXACT_MASS: 361.132043
+CH$SMILES: C[Si](C)(c1cccc2c1sc1ccccc12)c1cc(ccc1)N(C)C
+CH$IUPAC: InChI=1S/C22H23NSSi/c1-23(2)16-9-7-10-17(15-16)25(3,4)21-14-8-12-19-18-11-5-6-13-20(18)24-22(19)21/h5-15H,1-4H3
+CH$LINK: INCHIKEY MPPLQUIRZJZDHR-UHFFFAOYSA-N
+AC$INSTRUMENT: JMS-T100GCV (JEOL, Akishima, Japan) coupled to Agilent 7890A (Santa Clara, CA, USA) gas chromatograph.
+AC$INSTRUMENT_TYPE: GC-EI-TOF
+AC$MASS_SPECTROMETRY: MS_TYPE MS
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION EI
+AC$CHROMATOGRAPHY: CARRIER_GAS He, flow rate 1.5 ml/min
+AC$CHROMATOGRAPHY: COLUMN_NAME HP-5 19091J-413 USD364547H (Agilent, Wilmington, USA) with the length 30.0 m, I.D. 0.32 mm, and thickness 0.25 micrometer.
+AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE Initial oven temperature at 70 C for 4 min and ramped at the rate of 30 C/min to 320 C and held at the final temperature for 1.67 min.
+AC$CHROMATOGRAPHY: INJECTION_TEMPERATURE 250 C
+AC$CHROMATOGRAPHY: RETENTION_TIME 13.46 min
+PK$SPLASH: splash10-03dj-0419000000-017d61cec62a904fa86b
+PK$NUM_PEAK: 230
+PK$PEAK: m/z int. rel.int.
+  28.006 1.0705 11
+  28.985 0.3534 4
+  31.99 0.6435 6
+  39.024 0.3851 4
+  42.035 1.7558 18
+  43.001 3.8419 38
+  44 0.286 3
+  44.05 0.7548 8
+  45.016 0.3701 4
+  51.024 0.3517 4
+  52.985 0.8219 8
+  55.001 0.2695 3
+  57.017 0.3002 3
+  58.025 3.5008 35
+  59.032 1.3736 14
+  60.026 0.1482 1
+  63.024 0.4153 4
+  65.04 0.5255 5
+  67.001 0.3307 3
+  69.017 0.3083 3
+  72.028 0.2515 3
+  73.048 0.4121 4
+  76.033 0.4233 4
+  77.04 1.8003 18
+  78.047 0.9684 10
+  79.002 0.2776 3
+  79.053 0.4178 4
+  83.032 0.5397 5
+  84.029 0.2258 2
+  89.04 0.3594 4
+  90.044 0.315 3
+  91.056 2.3431 23
+  92.059 0.3256 3
+  93.017 0.8793 9
+  93.064 0.1378 1
+  95.032 0.3042 3
+  103.002 1.3388 13
+  103.056 0.2909 3
+  104.006 0.298 3
+  104.053 1.1908 12
+  105.017 1.2226 12
+  105.061 0.7635 8
+  106.019 0.2963 3
+  107.032 0.5117 5
+  113.041 0.2923 3
+  115.055 0.4602 5
+  117.018 0.4477 4
+  117.064 0.3977 4
+  118.02 0.2206 2
+  118.067 1.9242 19
+  119.033 2.1411 21
+  119.074 1.0139 10
+  120.031 0.7536 8
+  120.082 3.7825 38
+  121.047 0.4654 5
+  121.089 0.6648 7
+  125.041 0.3876 4
+  131.033 0.2385 2
+  132.028 1.4353 14
+  133.045 1.0662 11
+  133.09 0.5595 6
+  134.045 0.9468 9
+  134.098 3.3583 34
+  135.063 0.5301 5
+  135.103 0.5742 6
+  138.049 0.248 2
+  139.057 1.7101 17
+  140.062 0.2689 3
+  143.015 0.3145 3
+  143.518 0.4764 5
+  144.024 0.3662 4
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+  146.044 1.2318 12
+  147.05 0.6406 6
+  148.059 2.2644 23
+  149.064 0.8202 8
+  149.558 0.2797 3
+  150.049 1.5458 15
+  150.526 0.8482 8
+  151.056 3.1137 31
+  151.532 0.4863 5
+  152.064 1.8449 18
+  153.071 0.6967 7
+  155.046 0.1373 1
+  155.557 0.2937 3
+  156.522 0.297 3
+  157.025 0.2979 3
+  157.528 0.3048 3
+  158.031 0.4124 4
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+  160.06 0.3563 4
+  161.066 0.1836 2
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+  163.078 1.1311 11
+  163.528 0.3298 3
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+  164.536 2.5851 26
+  165.072 3.664 37
+  165.541 0.92 9
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+  171.544 2.3958 24
+  172.046 1.4832 15
+  172.551 8.3262 83
+  173.055 8.8305 88
+  173.555 2.7273 27
+  174.054 1.0648 11
+  174.555 0.2373 2
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+  177.095 0.2278 2
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+  179.559 0.6228 6
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+  180.567 3.4926 35
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+  184.038 1.5881 16
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+  191.02 0.1463 1
+  193.049 0.2002 2
+  195.064 0.6934 7
+  196.039 0.261 3
+  197.044 14.1739 142
+  198.047 2.1426 21
+  199.042 0.7442 7
+  200.061 0.2654 3
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+  201.07 0.2032 2
+  202.079 0.2539 3
+  207.034 1.0172 10
+  208.036 0.4611 5
+  209.035 0.2092 2
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+  211.006 4.7253 47
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+  213.01 0.5725 6
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+  215.087 0.284 3
+  221.046 0.4048 4
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+  224.011 0.7654 8
+  225.02 3.0872 31
+  226.024 0.7816 8
+  226.08 1.4893 15
+  227.034 1.2174 12
+  228.039 0.3082 3
+  228.093 0.1841 2
+  229.042 0.2062 2
+  235.005 0.1827 2
+  237.02 0.2563 3
+  238.028 0.177 2
+  239.036 0.6028 6
+  239.087 1.0504 10
+  240.09 0.436 4
+  241.052 4.1437 41
+  242.055 0.9378 9
+  243.051 0.4574 5
+  245.045 0.3083 3
+  251.035 0.2775 3
+  253.039 0.2368 2
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+  255.064 0.529 5
+  256.064 0.1671 2
+  258.053 1.1011 11
+  259.058 0.5858 6
+  260.065 0.3996 4
+  261.02 0.2747 3
+  265.047 0.1974 2
+  267.063 0.3441 3
+  268.069 0.2653 3
+  269.076 0.4251 4
+  270.073 0.2226 2
+  271.06 1.8416 18
+  272.063 0.621 6
+  273.065 0.3035 3
+  274.028 0.2314 2
+  275.035 0.4748 5
+  281.054 0.446 4
+  282.067 0.2642 3
+  283.065 0.1269 1
+  284.016 0.1783 2
+  285.021 0.4175 4
+  286.029 1.1268 11
+  287.036 2.9309 29
+  288.038 0.8837 9
+  289.042 0.4153 4
+  296.091 0.1537 2
+  298.028 0.193 2
+  298.102 0.1588 2
+  299.034 0.6974 7
+  300.038 0.5764 6
+  301.049 2.3424 23
+  302.102 2.7012 27
+  302.235 0.1319 1
+  303.11 4.3839 44
+  304.112 0.9936 10
+  305.109 0.258 3
+  312.033 0.2109 2
+  313.042 0.1936 2
+  314.047 0.7895 8
+  315.053 0.3922 4
+  316.062 1.383 14
+  317.071 0.571 6
+  318.069 0.2056 2
+  328.063 0.6687 7
+  329.067 0.3306 3
+  330.078 6.5409 65
+  331.081 2.1896 22
+  332.078 0.8393 8
+  333.081 0.2093 2
+  344.093 0.9262 9
+  345.099 0.4702 5
+  346.109 54.1828 541
+  347.111 15.7895 158
+  348.108 6.1178 61
+  349.11 1.2872 13
+  350.108 0.2035 2
+  360.125 9.2173 92
+  361.132 100 999
+  361.812 0.171 2
+  362.135 29.5616 295
+  362.733 0.1785 2
+  363.132 11.1078 111
+  364.133 2.3322 23
+  365.131 0.3943 4
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ04015.txt b/MSSJ/MSBNK-MSSJ-MSJ04015.txt
new file mode 100644
index 00000000000..3aadcfc0628
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ04015.txt
@@ -0,0 +1,199 @@
+ACCESSION: MSBNK-MSSJ-MSJ04015
+RECORD_TITLE: (((2-ethylhexyl)thio)methyl)diphenylsilane; GC-EI-TOF; MS; POSITIVE; 70 V
+DATE: 2023.12.04
+AUTHORS: Eiyu Imai, Molecular Structure Characterization Unit, RIKEN, Japan
+LICENSE: CC BY
+COPYRIGHT: Eiyu Imai, Molecular Structure Characterization Unit, RIKEN, Japan
+PUBLICATION: Yong Luo, Huai-Long Teng, Can Xue, Masayoshi Nishiura, and Zhaomin Hou; ACS Catal. 2018, 8, 8027−8032. DOI: 10.1021/acscatal.8b02405
+COMMENT: Original ID of the mass spectral data is A_170628_luo4MB/118-2_ei.xlsx
+COMMENT: JMS-T100GCV (JEOL, Akishima, Japan) is a reflectron time-of-flight (reTOF) mass spectrometer. Temperature of the ion-source and GC-transfer line were 200 C and 250 C, respectively. Resolving power (FWHM, nominal) was 7000.
+COMMENT: EI voltage was 70 V. Typical accuracy level expected was 5 ppm. The m/z value was adjusted with 342.1837.
+CH$NAME: (((2-ethylhexyl)thio)methyl)diphenylsilane
+CH$COMPOUND_CLASS: Non-natural compound
+CH$FORMULA: C21H30SSi
+CH$EXACT_MASS: 342.183748
+CH$SMILES: CCC(CSC[SiH](c1ccccc1)c1ccccc1)CCCC
+CH$IUPAC: InChI=1S/C21H30SSi/c1-3-5-12-19(4-2)17-22-18-23(20-13-8-6-9-14-20)21-15-10-7-11-16-21/h6-11,13-16,19,23H,3-5,12,17-18H2,1-2H3
+CH$LINK: INCHIKEY QMKMTOLHRVTCNC-UHFFFAOYSA-N
+AC$INSTRUMENT: JMS-T100GCV (JEOL, Akishima, Japan) coupled to Agilent 7890A (Santa Clara, CA, USA) gas chromatograph.
+AC$INSTRUMENT_TYPE: GC-EI-TOF
+AC$MASS_SPECTROMETRY: MS_TYPE MS
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION EI
+AC$CHROMATOGRAPHY: CARRIER_GAS He, flow rate 1.5 ml/min
+AC$CHROMATOGRAPHY: COLUMN_NAME HP-5 19091J-413 USD364547H (Agilent, Wilmington, USA) with the length 30.0 m, I.D. 0.32 mm, and thickness 0.25 micrometer.
+AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE Initial oven temperature at 70 C for 4 min and ramped at the rate of 30 C/min to 320 C and held at the final temperature for 7.67 min.
+AC$CHROMATOGRAPHY: INJECTION_TEMPERATURE 250 C
+AC$CHROMATOGRAPHY: RETENTION_TIME 11.79 min
+PK$SPLASH: splash10-001i-3920000000-ff353402769f6b58f624
+PK$NUM_PEAK: 168
+PK$PEAK: m/z int. rel.int.
+  27.024 3.1938 32
+  28.006 3.1636 32
+  28.031 0.3821 4
+  29.039 10.5191 105
+  31.99 1.2308 12
+  39.024 1.9066 19
+  40.031 0.2433 2
+  41.04 17.7538 177
+  42.046 1.7295 17
+  43.001 0.5249 5
+  43.055 17.8934 179
+  44.059 0.6472 6
+  44.981 0.623 6
+  45.989 0.4177 4
+  46.996 0.8398 8
+  51.024 0.7667 8
+  52.032 0.2229 2
+  52.985 3.9365 39
+  53.04 0.9453 9
+  53.988 0.3369 3
+  54.047 0.4171 4
+  55.001 0.5828 6
+  55.055 10.7229 107
+  55.09 0.1253 1
+  55.114 0.1559 2
+  56.063 2.9252 29
+  57.071 13.1734 132
+  58.075 0.6167 6
+  60.005 0.3658 4
+  60.958 0.2644 3
+  61.012 3.6994 37
+  63.009 0.1798 2
+  65.04 1.3984 14
+  67.001 0.746 7
+  67.056 0.7194 7
+  68.063 0.4933 5
+  69.071 6.7001 67
+  70.079 4.6673 47
+  71.087 3.7652 38
+  74.973 1.119 11
+  75.028 0.266 3
+  76.986 0.3408 3
+  77.04 2.9614 30
+  77.993 0.2529 3
+  78.047 1.1339 11
+  79.001 3.4831 35
+  79.055 0.8522 9
+  80.005 0.4361 4
+  81.017 0.5186 5
+  81.072 0.3928 4
+  82.079 0.4025 4
+  83.087 2.0908 21
+  84.094 1.5276 15
+  89.041 0.6283 6
+  90.047 0.5255 5
+  91.056 35.4677 354
+  92.06 3.0551 31
+  93.017 2.8901 29
+  93.069 0.3753 4
+  94.019 0.3056 3
+  95.027 0.1437 1
+  97.102 0.345 3
+  103.002 2.489 25
+  103.056 0.2043 2
+  104.008 0.6563 7
+  105.017 36.5846 365
+  105.072 0.95 9
+  106.019 4.4724 45
+  107.023 1.4796 15
+  108.03 0.1635 2
+  111.118 0.4745 5
+  112.126 1.3201 13
+  115.057 0.595 6
+  117.017 0.6983 7
+  118.024 0.4996 5
+  119.033 3.6574 37
+  120.038 0.9594 10
+  121.047 0.6012 6
+  128.064 0.2626 3
+  129.017 1.0972 11
+  130.023 0.2731 3
+  131.033 1.3206 13
+  136.989 6.3204 63
+  137.994 1.6402 16
+  139.004 2.069 21
+  140.003 0.2619 3
+  141.002 0.1671 2
+  143.032 0.3286 3
+  145.047 0.219 2
+  145.105 0.1898 2
+  148.989 0.2798 3
+  149.996 0.3541 4
+  151.005 6.7758 68
+  152.012 79.8411 798
+  152.625 0.2238 2
+  153.015 13.0425 130
+  153.531 0.1589 2
+  154.01 6.9246 69
+  154.079 0.4909 5
+  155.032 3.3763 34
+  156.035 0.5655 6
+  157.047 0.6683 7
+  159.122 8.0956 81
+  159.215 0.1241 1
+  160.125 0.8844 9
+  161.119 0.3767 4
+  165.021 2.5512 25
+  165.072 3.1555 32
+  166.023 0.4368 4
+  166.077 0.8438 8
+  167.031 0.6706 7
+  167.087 1.3746 14
+  168.038 0.2031 2
+  168.093 0.1949 2
+  169.048 0.4125 4
+  179.034 0.7758 8
+  180.041 3.9168 39
+  181.049 28.5534 285
+  181.318 0.3881 4
+  182.052 6.6403 66
+  183.064 100 999
+  183.731 0.3172 3
+  184.067 17.9357 179
+  184.694 0.2067 2
+  185.064 4.4757 45
+  185.665 0.1142 1
+  185.733 0.1219 1
+  186.066 0.4781 5
+  193.049 1.8121 18
+  194.055 0.7682 8
+  195.064 15.3455 153
+  195.194 0.3956 4
+  196.071 10.9291 109
+  197.079 14.5682 146
+  197.283 0.1365 1
+  198.081 2.7654 28
+  199.079 0.6542 7
+  210.088 0.222 2
+  213.021 0.3683 4
+  215.036 31.1194 311
+  216.039 5.7888 58
+  216.137 0.3306 3
+  217.034 2.8445 28
+  218.036 0.415 4
+  227.036 0.8011 8
+  228.041 0.2158 2
+  229.052 34.0618 340
+  230.058 35.9961 360
+  230.746 0.1193 1
+  231.06 10.0698 101
+  231.281 0.148 1
+  231.378 0.1134 1
+  232.057 3.3948 34
+  233.059 0.6807 7
+  238.118 0.3842 4
+  241.051 0.2503 3
+  251.129 0.2604 3
+  285.114 0.2452 2
+  294.179 0.6468 6
+  295.184 0.3194 3
+  313.145 0.2387 2
+  327.161 4.6518 46
+  328.164 1.2709 13
+  329.159 0.5329 5
+  341.177 0.2964 3
+  342.184 5.1812 52
+  343.186 1.5243 15
+  344.183 0.6105 6
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ04016.txt b/MSSJ/MSBNK-MSSJ-MSJ04016.txt
new file mode 100644
index 00000000000..7115650ab2e
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ04016.txt
@@ -0,0 +1,182 @@
+ACCESSION: MSBNK-MSSJ-MSJ04016
+RECORD_TITLE: [Methyl[(pentylthio)methyl]silyl]benzene; GC-EI-TOF; MS; POSITIVE; 70 V
+DATE: 2023.12.04
+AUTHORS: Eiyu Imai, Molecular Structure Characterization Unit, RIKEN, Japan
+LICENSE: CC BY
+COPYRIGHT: Eiyu Imai, Molecular Structure Characterization Unit, RIKEN, Japan
+PUBLICATION: Yong Luo, Huai-Long Teng, Can Xue, Masayoshi Nishiura, and Zhaomin Hou; ACS Catal. 2018, 8, 8027−8032. DOI: 10.1021/acscatal.8b02405
+COMMENT: Original ID of the mass spectral data is A_170628_luo4MB/119-1_ei.xlsx
+COMMENT: JMS-T100GCV (JEOL, Akishima, Japan) is a reflectron time-of-flight (reTOF) mass spectrometer. Temperature of the ion-source and GC-transfer line were 200 C and 250 C, respectively. Resolving power (FWHM, nominal) was 7000.
+COMMENT: EI voltage was 70 V. Typical accuracy level expected was 5 ppm. The m/z value was adjusted with 238.1211.
+CH$NAME: [Methyl[(pentylthio)methyl]silyl]benzene
+CH$COMPOUND_CLASS: Non-natural compound
+CH$FORMULA: C13H22SSi
+CH$EXACT_MASS: 238.121148
+CH$SMILES: C[SiH](CSCCCCC)c1ccccc1
+CH$IUPAC: InChI=1S/C13H22SSi/c1-3-4-8-11-14-12-15(2)13-9-6-5-7-10-13/h5-7,9-10,15H,3-4,8,11-12H2,1-2H3
+CH$LINK: INCHIKEY UCAAUNZRKKWTFO-UHFFFAOYSA-N
+AC$INSTRUMENT: JMS-T100GCV (JEOL, Akishima, Japan) coupled to Agilent 7890A (Santa Clara, CA, USA) gas chromatograph.
+AC$INSTRUMENT_TYPE: GC-EI-TOF
+AC$MASS_SPECTROMETRY: MS_TYPE MS
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION EI
+AC$CHROMATOGRAPHY: CARRIER_GAS He, flow rate 1.5 ml/min
+AC$CHROMATOGRAPHY: COLUMN_NAME HP-5 19091J-413 USD364547H (Agilent, Wilmington, USA) with the length 30.0 m, I.D. 0.32 mm, and thickness 0.25 micrometer.
+AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE Initial oven temperature at 70 C for 4 min and ramped at the rate of 30 C/min to 320 C and held at the final temperature for 1.67 min.
+AC$CHROMATOGRAPHY: INJECTION_TEMPERATURE 250 C
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.40 min
+PK$SPLASH: splash10-00xu-6900000000-77856a5603a29693a4ac
+PK$NUM_PEAK: 151
+PK$PEAK: m/z int. rel.int.
+  27.023 5.8562 59
+  28.006 4.3053 43
+  28.031 0.6412 6
+  28.985 1.738 17
+  29.039 9.6233 96
+  29.084 0.1262 1
+  31.99 1.6982 17
+  39.024 3.4102 34
+  40.031 0.3962 4
+  41.039 13.3559 133
+  41.091 0.1683 2
+  41.993 0.4969 5
+  42.047 2.5527 26
+  43.001 18.7183 187
+  43.055 15.5993 156
+  44.001 1.1608 12
+  44.059 0.5823 6
+  44.98 1.1494 11
+  44.997 0.7045 7
+  45.016 0.9603 10
+  45.988 0.899 9
+  46.996 1.0169 10
+  50.016 0.3342 3
+  51.024 1.4453 14
+  52.031 0.394 4
+  52.985 4.4717 45
+  53.04 0.8333 8
+  53.989 0.5354 5
+  55.001 1.4379 14
+  55.055 2.9421 29
+  56.062 0.2931 3
+  57.016 0.7566 8
+  58.024 0.5085 5
+  58.996 0.4795 5
+  59.032 0.5113 5
+  60.004 0.4917 5
+  60.957 1.7577 18
+  61.012 3.2151 32
+  62.972 0.389 4
+  63.024 0.3706 4
+  65.039 1.9278 19
+  65.993 0.5811 6
+  67.001 1.831 18
+  67.055 0.4843 5
+  68.005 0.2112 2
+  68.063 0.2602 3
+  69.016 1.9487 19
+  69.071 3.8356 38
+  70.077 0.4792 5
+  71.086 0.515 5
+  72.957 0.5609 6
+  73.966 0.2168 2
+  74.973 6.2718 63
+  75.026 0.3024 3
+  75.979 1.6922 17
+  76.032 0.188 2
+  76.987 2.0257 20
+  77.04 3.1013 31
+  77.991 0.3908 4
+  78.047 1.2032 12
+  79.001 2.7342 27
+  79.055 1.6147 16
+  80.005 0.4514 5
+  81.016 1.4261 14
+  83.031 0.2775 3
+  88.989 4.3561 44
+  89.04 0.5507 6
+  89.996 32.0788 320
+  90.048 0.5403 5
+  91 4.5641 46
+  91.055 50.1155 501
+  91.242 0.1578 2
+  91.527 0.2 2
+  91.993 2.6824 27
+  92.059 4.1552 42
+  92.138 0.1302 1
+  92.196 0.1299 1
+  93.016 3.8581 39
+  93.07 0.5521 6
+  94.019 0.4089 4
+  95.032 3.6332 36
+  96.034 0.4038 4
+  97.04 0.1557 2
+  103.001 1.3469 13
+  103.057 0.3465 3
+  104.008 0.4699 5
+  105.017 17.3581 173
+  105.071 0.9424 9
+  105.161 0.1346 1
+  106.02 2.7751 28
+  107.032 4.1124 41
+  108.034 0.5003 5
+  109.047 0.4179 4
+  117.018 1.1931 12
+  117.074 2.3318 23
+  118.023 0.3866 4
+  119.032 13.6367 136
+  120.037 3.5379 35
+  121.048 100 999
+  121.59 0.301 3
+  122.05 12.7397 127
+  122.37 0.1692 2
+  123.046 3.8867 39
+  124.048 0.2966 3
+  131.033 1.1156 11
+  132.039 0.3562 4
+  133.048 4.7949 48
+  134.056 23.9175 239
+  135.062 13.9546 139
+  136.062 2.1545 22
+  136.989 1.8834 19
+  137.06 0.5423 5
+  137.993 0.2804 3
+  139.004 0.9842 10
+  145.05 0.9585 10
+  147.066 0.9401 9
+  147.117 0.5106 5
+  151.005 0.8684 9
+  152.011 0.5113 5
+  153.02 33.8566 338
+  154.022 4.7755 48
+  155.017 2.8568 29
+  156.019 0.3015 3
+  159.066 0.3235 3
+  161.082 0.3001 3
+  162.084 0.229 2
+  165.02 3.1391 31
+  166.023 0.5122 5
+  167.035 43.7359 437
+  167.586 0.1193 1
+  167.627 0.1214 1
+  168.042 27.5551 275
+  168.605 0.1574 2
+  168.674 0.135 1
+  169.039 6.1368 61
+  170.039 2.3246 23
+  171.04 0.3391 3
+  179.035 0.411 4
+  181.051 0.2516 3
+  190.118 1.0961 11
+  191.122 0.4439 4
+  221.083 0.2446 2
+  223.098 13.2552 132
+  224.101 2.6616 27
+  225.095 1.1873 12
+  226.099 0.1842 2
+  237.114 0.8355 8
+  238.121 11.1747 112
+  239.123 2.3425 23
+  240.119 1.0721 11
+  241.119 0.1901 2
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ04017.txt b/MSSJ/MSBNK-MSSJ-MSJ04017.txt
new file mode 100644
index 00000000000..71b2172fd9b
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ04017.txt
@@ -0,0 +1,242 @@
+ACCESSION: MSBNK-MSSJ-MSJ04017
+RECORD_TITLE: ((Pentylthio)methylene)bis(phenylsilane); GC-EI-TOF; MS; POSITIVE; 70 V
+DATE: 2023.12.04
+AUTHORS: Eiyu Imai, Molecular Structure Characterization Unit, RIKEN, Japan
+LICENSE: CC BY
+COPYRIGHT: Eiyu Imai, Molecular Structure Characterization Unit, RIKEN, Japan
+PUBLICATION: Yong Luo, Huai-Long Teng, Can Xue, Masayoshi Nishiura, and Zhaomin Hou; ACS Catal. 2018, 8, 8027−8032. DOI: 10.1021/acscatal.8b02405
+COMMENT: Original ID of the mass spectral data is A_170628_luo4MB/141-1-1_ei.xlsx
+COMMENT: JMS-T100GCV (JEOL, Akishima, Japan) is a reflectron time-of-flight (reTOF) mass spectrometer. Temperature of the ion-source and GC-transfer line were 200 C and 250 C, respectively. Resolving power (FWHM, nominal) was 7000.
+COMMENT: EI voltage was 70 V. Typical accuracy level expected was 5 ppm. The m/z value was adjusted with 330.1294.
+CH$NAME: ((Pentylthio)methylene)bis(phenylsilane)
+CH$COMPOUND_CLASS: Non-natural compound
+CH$FORMULA: C18H26SSi2
+CH$EXACT_MASS: 330.129375
+CH$SMILES: CCCCCSC([SiH2]c1ccccc1)[SiH2]c1ccccc1
+CH$IUPAC: InChI=1S/C18H26SSi2/c1-2-3-10-15-19-18(20-16-11-6-4-7-12-16)21-17-13-8-5-9-14-17/h4-9,11-14,18H,2-3,10,15,20-21H2,1H3
+CH$LINK: INCHIKEY NPXZBHYKGCNMQR-UHFFFAOYSA-N
+AC$INSTRUMENT: JMS-T100GCV (JEOL, Akishima, Japan) coupled to Agilent 7890A (Santa Clara, CA, USA) gas chromatograph.
+AC$INSTRUMENT_TYPE: GC-EI-TOF
+AC$MASS_SPECTROMETRY: MS_TYPE MS
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION EI
+AC$CHROMATOGRAPHY: CARRIER_GAS He, flow rate 1.5 ml/min
+AC$CHROMATOGRAPHY: COLUMN_NAME HP-5 19091J-413 USD364547H (Agilent, Wilmington, USA) with the length 30.0 m, I.D. 0.32 mm, and thickness 0.25 micrometer.
+AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE Initial oven temperature at 70 C for 4 min and ramped at the rate of 30 C/min to 320 C and held at the final temperature for 7.67 min.
+AC$CHROMATOGRAPHY: INJECTION_TEMPERATURE 250 C
+AC$CHROMATOGRAPHY: RETENTION_TIME 11.34 min
+PK$SPLASH: splash10-053r-3910000000-8f3d84fcf6b26642207f
+PK$NUM_PEAK: 211
+PK$PEAK: m/z int. rel.int.
+  27.024 6.4596 65
+  28.006 17.73 177
+  28.031 0.7505 7
+  28.985 5.0003 50
+  29.039 14.0374 140
+  29.066 0.3515 4
+  29.084 0.2914 3
+  31.99 7.0937 71
+  39.024 3.3851 34
+  39.964 0.5865 6
+  40.031 0.4701 5
+  41.04 19.1183 191
+  41.071 0.3061 3
+  41.092 0.2841 3
+  41.994 0.5382 5
+  42.047 3.7585 38
+  43.001 4.2344 42
+  43.055 42.6123 426
+  43.992 0.4745 5
+  44.058 1.4271 14
+  44.98 0.741 7
+  45.016 0.6846 7
+  46.996 0.7842 8
+  50.016 0.4928 5
+  51.024 1.4073 14
+  52.031 0.6202 6
+  52.985 7.0571 71
+  53.04 1.2301 12
+  53.988 0.7974 8
+  55.001 2.5291 25
+  55.055 5.7692 58
+  60.004 0.3083 3
+  60.958 2.0304 20
+  61.012 0.4598 5
+  65.04 1.9499 19
+  65.994 0.6063 6
+  67.001 2.0978 21
+  67.055 0.8201 8
+  68.063 1.1467 11
+  68.963 1.545 15
+  69.017 0.4525 5
+  69.071 3.5344 35
+  69.971 1.0808 11
+  70.078 0.7622 8
+  71.087 1.4688 15
+  72.958 1.4908 15
+  73.965 1.0566 11
+  74.973 8.5926 86
+  75.979 1.5779 16
+  76.982 0.9614 10
+  77.04 6.3945 64
+  77.99 0.5572 6
+  78.047 3.7695 38
+  79.001 5.1277 51
+  79.055 4.0287 40
+  80.006 0.8735 9
+  81.017 6.3696 64
+  82.019 0.6802 7
+  89.04 0.8406 8
+  89.996 0.4781 5
+  90.048 1.2536 13
+  91.005 0.4781 5
+  91.056 34.9196 349
+  91.188 0.3441 3
+  92.009 0.6055 6
+  92.061 4.1239 41
+  93.017 5.6396 56
+  93.071 3.481 35
+  94.019 0.6766 7
+  95.032 1.594 16
+  96.039 0.4108 4
+  97.047 0.4723 5
+  101.043 1.1408 11
+  102.95 2.1007 21
+  103.002 3.3638 34
+  103.057 0.3961 4
+  103.958 16.7854 168
+  104.007 0.9233 9
+  104.064 0.7366 7
+  104.962 3.2664 33
+  105.017 58.2679 582
+  105.955 2.0246 20
+  106.02 7.8326 78
+  106.069 0.2878 3
+  106.967 0.3449 3
+  107.033 41.6135 416
+  108.035 4.9234 49
+  109.031 1.7141 17
+  115.054 0.5843 6
+  117.018 2.1249 21
+  117.068 0.4122 4
+  118.025 1.4432 14
+  119.033 17.4444 174
+  120.04 7.6407 76
+  121.048 18.7265 187
+  122.05 2.4603 25
+  123.046 0.7256 7
+  129.019 0.8918 9
+  130.015 0.3632 4
+  131.034 1.6966 17
+  131.988 0.4342 4
+  132.044 0.3039 3
+  132.994 1.0024 10
+  133.044 0.3859 4
+  136.989 9.7788 98
+  137.993 1.903 19
+  139.004 3.7973 38
+  140.004 0.6121 6
+  141.002 0.3463 3
+  143.033 0.6641 7
+  144.994 4.7909 48
+  145.05 1.2367 12
+  146 2.1293 21
+  146.056 0.8794 9
+  147.01 9.6704 97
+  147.121 0.402 4
+  148.017 33.2992 333
+  149.022 10.6567 106
+  149.123 0.2892 3
+  150.017 3.2166 32
+  151.006 10.5806 106
+  152.012 8.3839 84
+  153.02 14.8677 149
+  153.124 0.3991 4
+  154.021 2.3006 23
+  155.027 1.985 20
+  157.049 0.4152 4
+  165.02 0.5382 5
+  165.071 2.2076 22
+  166.079 0.4203 4
+  166.982 11.881 119
+  167.034 1.4703 15
+  167.088 0.5418 5
+  167.984 2.3255 23
+  168.992 2.3072 23
+  169.048 0.5697 6
+  169.997 0.4379 4
+  170.995 0.3471 3
+  178.982 2.2443 22
+  179.035 1.0661 11
+  179.989 2.9047 29
+  180.041 1.7998 18
+  180.997 100 999
+  181.313 0.331 3
+  181.624 0.4203 4
+  181.74 0.2438 2
+  182 25.3722 253
+  182.553 0.3017 3
+  182.585 0.3222 3
+  182.641 0.3705 4
+  182.996 12.7853 128
+  183.064 96.6896 966
+  183.654 0.555 6
+  183.998 2.5745 26
+  184.067 16.628 166
+  184.604 0.3214 3
+  184.66 0.3317 3
+  184.739 0.3588 4
+  185 0.6517 7
+  185.063 4.1773 42
+  185.145 0.2965 3
+  185.214 0.3266 3
+  186.07 0.3786 4
+  186.239 0.3478 3
+  193.048 2.6074 26
+  194.057 1.6285 16
+  195.013 0.9577 10
+  195.064 6.0115 60
+  196.069 1.6453 16
+  197.08 12.1893 122
+  198.082 2.2172 22
+  199.079 0.5872 6
+  207.067 4.7433 47
+  208.07 0.9907 10
+  209.082 5.9698 60
+  210.084 1.0639 11
+  211.076 0.5887 6
+  215.036 3.0402 30
+  216.04 0.6143 6
+  219.014 0.3866 4
+  221.02 0.8172 8
+  221.084 0.7681 8
+  222.025 0.3595 4
+  222.09 3.3111 33
+  223.041 3.7058 37
+  223.097 3.2489 32
+  224.047 1.7998 18
+  225.056 7.361 74
+  226.062 4.5603 46
+  227.069 2.8681 29
+  228.07 0.7747 8
+  229.059 0.5052 5
+  243.014 0.5433 5
+  245.029 0.9343 9
+  251.074 0.5265 5
+  253.088 0.6729 7
+  255.015 0.4899 5
+  257.029 14.7835 148
+  258.031 3.7182 37
+  259.043 19.1292 191
+  260.046 5.8482 58
+  261.043 2.6587 27
+  262.045 0.7103 7
+  285.113 1.6599 17
+  286.113 0.3881 4
+  287.117 0.2643 3
+  329.121 1.9887 20
+  330.129 18.9557 189
+  331.131 5.6996 57
+  332.128 2.7942 28
+  333.13 0.7674 8
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ04018.txt b/MSSJ/MSBNK-MSSJ-MSJ04018.txt
new file mode 100644
index 00000000000..279aae54efb
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ04018.txt
@@ -0,0 +1,211 @@
+ACCESSION: MSBNK-MSSJ-MSJ04018
+RECORD_TITLE: Hexyl[(pentylthio)methyl]silane; GC-EI-TOF; MS; POSITIVE; 70 V
+DATE: 2023.12.04
+AUTHORS: Eiyu Imai, Molecular Structure Characterization Unit, RIKEN, Japan
+LICENSE: CC BY
+COPYRIGHT: Eiyu Imai, Molecular Structure Characterization Unit, RIKEN, Japan
+PUBLICATION: Yong Luo, Huai-Long Teng, Can Xue, Masayoshi Nishiura, and Zhaomin Hou; ACS Catal. 2018, 8, 8027−8032. DOI: 10.1021/acscatal.8b02405
+COMMENT: Original ID of the mass spectral data is A_170628_luo4MB/142-2-1_ei.xlsx
+COMMENT: JMS-T100GCV (JEOL, Akishima, Japan) is a reflectron time-of-flight (reTOF) mass spectrometer. Temperature of the ion-source and GC-transfer line were 200 C and 250 C, respectively. Resolving power (FWHM, nominal) was 7000.
+COMMENT: EI voltage was 70 V. Typical accuracy level expected was 5 ppm. The m/z value was adjusted with 232.1681.
+CH$NAME: Hexyl[(pentylthio)methyl]silane
+CH$COMPOUND_CLASS: Non-natural compound
+CH$FORMULA: C12H28SSi
+CH$EXACT_MASS: 232.168098
+CH$SMILES: CCCCCSC[SiH2]CCCCCC
+CH$IUPAC: InChI=1S/C12H28SSi/c1-3-5-7-9-11-14-12-13-10-8-6-4-2/h3-12,14H2,1-2H3
+CH$LINK: INCHIKEY VCSAAYXPDJVYDG-UHFFFAOYSA-N
+AC$INSTRUMENT: JMS-T100GCV (JEOL, Akishima, Japan) coupled to Agilent 7890A (Santa Clara, CA, USA) gas chromatograph.
+AC$INSTRUMENT_TYPE: GC-EI-TOF
+AC$MASS_SPECTROMETRY: MS_TYPE MS
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION EI
+AC$CHROMATOGRAPHY: CARRIER_GAS He, flow rate 1.5 ml/min
+AC$CHROMATOGRAPHY: COLUMN_NAME HP-5 19091J-413 USD364547H (Agilent, Wilmington, USA) with the length 30.0 m, I.D. 0.32 mm, and thickness 0.25 micrometer.
+AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE Initial oven temperature at 70 C for 4 min and ramped at the rate of 30 C/min to 320 C and held at the final temperature for 1.67 min.
+AC$CHROMATOGRAPHY: INJECTION_TEMPERATURE 250 C
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.89 min
+PK$SPLASH: splash10-004l-9300000000-70fe5ab32050cacf43f4
+PK$NUM_PEAK: 180
+PK$PEAK: m/z int. rel.int.
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+  27.063 0.1531 2
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+  234.166 1.956 20
+  235.167 0.2758 3
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ04019.txt b/MSSJ/MSBNK-MSSJ-MSJ04019.txt
new file mode 100644
index 00000000000..f8470804713
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ04019.txt
@@ -0,0 +1,196 @@
+ACCESSION: MSBNK-MSSJ-MSJ04019
+RECORD_TITLE: Hexylbis((pentylthio)methyl)silane; GC-EI-TOF; MS; POSITIVE; 70 V
+DATE: 2023.12.04
+AUTHORS: Eiyu Imai, Molecular Structure Characterization Unit, RIKEN, Japan
+LICENSE: CC BY
+COPYRIGHT: Eiyu Imai, Molecular Structure Characterization Unit, RIKEN, Japan
+PUBLICATION: Yong Luo, Huai-Long Teng, Can Xue, Masayoshi Nishiura, and Zhaomin Hou; ACS Catal. 2018, 8, 8027−8032. DOI: 10.1021/acscatal.8b02405
+COMMENT: Original ID of the mass spectral data is A_170628_luo4MB/142-2-2_ei.xlsx
+COMMENT: JMS-T100GCV (JEOL, Akishima, Japan) is a reflectron time-of-flight (reTOF) mass spectrometer. Temperature of the ion-source and GC-transfer line were 200 C and 250 C, respectively. Resolving power (FWHM, nominal) was 7000.
+COMMENT: EI voltage was 70 V. Typical accuracy level expected was 5 ppm. The m/z value was adjusted with 348.2341.
+CH$NAME: Hexylbis((pentylthio)methyl)silane
+CH$COMPOUND_CLASS: Non-natural compound
+CH$FORMULA: C18H40S2Si
+CH$EXACT_MASS: 348.234069
+CH$SMILES: CCCCCSC[SiH](CSCCCCC)CCCCCC
+CH$IUPAC: InChI=1S/C18H40S2Si/c1-4-7-10-13-16-21(17-19-14-11-8-5-2)18-20-15-12-9-6-3/h21H,4-18H2,1-3H3
+CH$LINK: INCHIKEY CWLIVTYBHGGCRA-UHFFFAOYSA-N
+AC$INSTRUMENT: JMS-T100GCV (JEOL, Akishima, Japan) coupled to Agilent 7890A (Santa Clara, CA, USA) gas chromatograph.
+AC$INSTRUMENT_TYPE: GC-EI-TOF
+AC$MASS_SPECTROMETRY: MS_TYPE MS
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION EI
+AC$CHROMATOGRAPHY: CARRIER_GAS He, flow rate 1.5 ml/min
+AC$CHROMATOGRAPHY: COLUMN_NAME HP-5 19091J-413 USD364547H (Agilent, Wilmington, USA) with the length 30.0 m, I.D. 0.32 mm, and thickness 0.25 micrometer.
+AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE Initial oven temperature at 70 C for 4 min and ramped at the rate of 30 C/min to 320 C and held at the final temperature for 7.67 min.
+AC$CHROMATOGRAPHY: INJECTION_TEMPERATURE 250 C
+AC$CHROMATOGRAPHY: RETENTION_TIME 11.44 min
+PK$SPLASH: splash10-003u-9370000000-ccc0f10feb39b442e7f1
+PK$NUM_PEAK: 165
+PK$PEAK: m/z int. rel.int.
+  27.024 3.7471 37
+  28.006 2.8631 29
+  28.031 0.5095 5
+  29.039 11.0512 110
+  29.083 0.1257 1
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+  40.031 0.2681 3
+  41.04 15.0794 151
+  41.091 0.1889 2
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+  43.055 50.6782 506
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+  111.064 1.5643 16
+  112.071 0.7002 7
+  113.079 0.7579 8
+  115.005 0.7456 7
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+  159.068 1.6813 17
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+  171.068 0.3073 3
+  173.083 0.779 8
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+  175.096 0.2395 2
+  187.099 0.1888 2
+  191.039 0.9108 9
+  193.055 0.6727 7
+  194.061 0.2433 2
+  201.114 0.1994 2
+  205.055 1.1405 11
+  206.057 0.1916 2
+  207.068 0.6886 7
+  215.129 0.196 2
+  227.13 2.1605 22
+  227.398 0.1807 2
+  228.133 0.4086 4
+  229.146 18.3652 183
+  229.414 1.5041 15
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+  232.164 19.4083 194
+  232.966 0.1605 2
+  233.159 8.9561 89
+  233.553 0.1254 1
+  234.161 1.4048 14
+  235.16 0.2803 3
+  245.177 0.5222 5
+  263.133 3.0853 31
+  264.135 0.6452 6
+  265.131 0.421 4
+  277.149 17.6298 176
+  277.38 0.129 1
+  278.151 3.7798 38
+  279.146 2.4803 25
+  280.148 0.4126 4
+  291.164 0.4499 4
+  347.226 0.5241 5
+  348.234 16.4636 164
+  349.236 4.4628 45
+  350.232 2.4368 24
+  351.234 0.566 6
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ04020.txt b/MSSJ/MSBNK-MSSJ-MSJ04020.txt
new file mode 100644
index 00000000000..de7da8e570a
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ04020.txt
@@ -0,0 +1,237 @@
+ACCESSION: MSBNK-MSSJ-MSJ04020
+RECORD_TITLE: Dibutyl[(pentylthio)methyl]silane; GC-EI-TOF; MS; POSITIVE; 70 V
+DATE: 2023.12.04
+AUTHORS: Eiyu Imai, Molecular Structure Characterization Unit, RIKEN, Japan
+LICENSE: CC BY
+COPYRIGHT: Eiyu Imai, Molecular Structure Characterization Unit, RIKEN, Japan
+PUBLICATION: Yong Luo, Huai-Long Teng, Can Xue, Masayoshi Nishiura, and Zhaomin Hou; ACS Catal. 2018, 8, 8027−8032. DOI: 10.1021/acscatal.8b02405
+COMMENT: Original ID of the mass spectral data is A_170628_luo4MB/142-3_ei.xlsx
+COMMENT: JMS-T100GCV (JEOL, Akishima, Japan) is a reflectron time-of-flight (reTOF) mass spectrometer. Temperature of the ion-source and GC-transfer line were 200 C and 250 C, respectively. Resolving power (FWHM, nominal) was 7000.
+COMMENT: EI voltage was 70 V. Typical accuracy level expected was 5 ppm. The m/z value was adjusted with 260.1994.
+CH$NAME: Dibutyl[(pentylthio)methyl]silane
+CH$COMPOUND_CLASS: Non-natural compound
+CH$FORMULA: C14H32SSi
+CH$EXACT_MASS: 260.199398
+CH$SMILES: CCCC[SiH](CSCCCCC)CCCC
+CH$IUPAC: InChI=1S/C14H32SSi/c1-4-7-10-11-15-14-16(12-8-5-2)13-9-6-3/h16H,4-14H2,1-3H3
+CH$LINK: INCHIKEY RHFTYGXNFMHSLK-UHFFFAOYSA-N
+AC$INSTRUMENT: JMS-T100GCV (JEOL, Akishima, Japan) coupled to Agilent 7890A (Santa Clara, CA, USA) gas chromatograph.
+AC$INSTRUMENT_TYPE: GC-EI-TOF
+AC$MASS_SPECTROMETRY: MS_TYPE MS
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION EI
+AC$CHROMATOGRAPHY: CARRIER_GAS He, flow rate 1.5 ml/min
+AC$CHROMATOGRAPHY: COLUMN_NAME HP-5 19091J-413 USD364547H (Agilent, Wilmington, USA) with the length 30.0 m, I.D. 0.32 mm, and thickness 0.25 micrometer.
+AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE Initial oven temperature at 70 C for 4 min and ramped at the rate of 30 C/min to 320 C and held at the final temperature for 1.67 min.
+AC$CHROMATOGRAPHY: INJECTION_TEMPERATURE 250 C
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.32 min
+PK$SPLASH: splash10-0fal-9530000000-bf7027e8b1f536bfe876
+PK$NUM_PEAK: 206
+PK$PEAK: m/z int. rel.int.
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+  141.11 0.9114 9
+  142.118 5.211 52
+  143.037 0.3375 3
+  143.125 2.4513 24
+  144.123 0.3926 4
+  145.051 18.9801 190
+  145.321 0.7027 7
+  146.053 2.4746 25
+  147.067 42.896 429
+  147.308 0.1388 1
+  148.071 8.8107 88
+  149.065 3.6668 37
+  150.069 0.5989 6
+  156.134 2.1752 22
+  157.14 0.9394 9
+  159.067 0.2194 2
+  161.083 0.7085 7
+  162.089 0.2366 2
+  173.082 0.3443 3
+  175.098 8.7725 88
+  176.1 1.2379 12
+  177.096 0.7716 8
+  189.114 35.3168 353
+  190.119 13.8563 138
+  191.116 4.0203 40
+  191.256 0.1273 1
+  192.117 1.0537 11
+  199.098 0.2339 2
+  201.114 43.3186 433
+  201.383 2.7324 27
+  201.619 0.1659 2
+  201.725 0.1952 2
+  202.116 7.0009 70
+  202.385 0.505 5
+  202.737 0.1192 1
+  202.838 0.1453 1
+  203.129 89.7025 896
+  203.836 0.2879 3
+  204.134 24.2167 242
+  204.848 0.2031 2
+  205.129 8.2905 83
+  206.132 1.7349 17
+  207.127 0.2478 2
+  231.161 4.3775 44
+  232.163 0.8415 8
+  233.159 0.3718 4
+  245.176 3.3967 34
+  246.179 0.7197 7
+  247.175 0.328 3
+  259.191 1.0918 11
+  260.199 20.3457 203
+  261.202 4.2113 42
+  262.198 1.8771 19
+  263.199 0.3145 3
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ04021.txt b/MSSJ/MSBNK-MSSJ-MSJ04021.txt
new file mode 100644
index 00000000000..094249bcef6
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ04021.txt
@@ -0,0 +1,198 @@
+ACCESSION: MSBNK-MSSJ-MSJ04021
+RECORD_TITLE: (((3,7-Dimethyloctyl)thio)methyl)diphenylsilane; GC-EI-TOF; MS; POSITIVE; 70 V
+DATE: 2023.12.04
+AUTHORS: Eiyu Imai, Molecular Structure Characterization Unit, RIKEN, Japan
+LICENSE: CC BY
+COPYRIGHT: Eiyu Imai, Molecular Structure Characterization Unit, RIKEN, Japan
+PUBLICATION: Yong Luo, Huai-Long Teng, Can Xue, Masayoshi Nishiura, and Zhaomin Hou; ACS Catal. 2018, 8, 8027−8032. DOI: 10.1021/acscatal.8b02405
+COMMENT: Original ID of the mass spectral data is A_170628_luo4MB/143-1_ei.xlsx
+COMMENT: JMS-T100GCV (JEOL, Akishima, Japan) is a reflectron time-of-flight (reTOF) mass spectrometer. Temperature of the ion-source and GC-transfer line were 200 C and 250 C, respectively. Resolving power (FWHM, nominal) was 7000.
+COMMENT: EI voltage was 70 V. Typical accuracy level expected was 5 ppm. The m/z value was adjusted with 370.2150.
+CH$NAME: (((3,7-Dimethyloctyl)thio)methyl)diphenylsilane
+CH$COMPOUND_CLASS: Non-natural compound
+CH$FORMULA: C23H34SSi
+CH$EXACT_MASS: 370.215048
+CH$SMILES: CC(CCSC[SiH](c1ccccc1)c1ccccc1)CCCC(C)C
+CH$IUPAC: InChI=1S/C23H34SSi/c1-20(2)11-10-12-21(3)17-18-24-19-25(22-13-6-4-7-14-22)23-15-8-5-9-16-23/h4-9,13-16,20-21,25H,10-12,17-19H2,1-3H3
+CH$LINK: INCHIKEY MDLZMJMEGPIASM-UHFFFAOYSA-N
+AC$INSTRUMENT: JMS-T100GCV (JEOL, Akishima, Japan) coupled to Agilent 7890A (Santa Clara, CA, USA) gas chromatograph.
+AC$INSTRUMENT_TYPE: GC-EI-TOF
+AC$MASS_SPECTROMETRY: MS_TYPE MS
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION EI
+AC$CHROMATOGRAPHY: CARRIER_GAS He, flow rate 1.5 ml/min
+AC$CHROMATOGRAPHY: COLUMN_NAME HP-5 19091J-413 USD364547H (Agilent, Wilmington, USA) with the length 30.0 m, I.D. 0.32 mm, and thickness 0.25 micrometer.
+AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE Initial oven temperature at 70 C for 4 min and ramped at the rate of 30 C/min to 320 C and held at the final temperature for 11.67 min.
+AC$CHROMATOGRAPHY: INJECTION_TEMPERATURE 250 C
+AC$CHROMATOGRAPHY: RETENTION_TIME 12.32 min
+PK$SPLASH: splash10-001i-3920000000-d4e67f7d85b8c372166e
+PK$NUM_PEAK: 167
+PK$PEAK: m/z int. rel.int.
+  27.024 1.9908 20
+  28.006 2.1257 21
+  28.031 0.2881 3
+  29.039 5.6316 56
+  31.99 0.8499 8
+  39.024 1.3417 13
+  41.04 14.3508 143
+  41.092 0.1633 2
+  42.047 1.4429 14
+  43.001 0.398 4
+  43.055 25.222 252
+  43.148 0.134 1
+  44.059 0.8434 8
+  44.981 0.4677 5
+  45.988 0.3983 4
+  46.996 0.7305 7
+  51.024 0.5132 5
+  52.985 2.7339 27
+  53.04 0.7678 8
+  53.988 0.2381 2
+  54.047 0.3422 3
+  55.001 0.4245 4
+  55.056 12.5664 126
+  55.115 0.1396 1
+  56.063 4.7093 47
+  57.071 9.171 92
+  58.075 0.4035 4
+  58.996 0.3368 3
+  60.004 0.6115 6
+  61.012 4.1319 41
+  65.04 0.89 9
+  67.001 0.5245 5
+  67.056 1.1221 11
+  68.063 0.6216 6
+  69.071 7.7884 78
+  70.079 5.4955 55
+  71.087 2.9192 29
+  74.973 0.878 9
+  75.027 0.3298 3
+  76.986 0.278 3
+  77.04 1.7652 18
+  78.048 0.8336 8
+  79.001 2.4135 24
+  79.056 0.619 6
+  80.005 0.2915 3
+  81.017 0.3788 4
+  81.071 1.394 14
+  82.078 0.4907 5
+  83.087 4.6641 47
+  84.094 1.1964 12
+  85.102 0.7998 8
+  87.028 0.2978 3
+  89.04 0.3672 4
+  90.048 0.3561 4
+  91.056 26.053 260
+  91.189 0.1365 1
+  92.06 2.1959 22
+  93.017 2.0996 21
+  93.07 0.3376 3
+  94.019 0.2419 2
+  95.087 0.8424 8
+  97.103 1.2758 13
+  101.044 0.5208 5
+  103.002 1.7553 18
+  104.007 0.4683 5
+  105.017 28.9869 290
+  105.072 0.9277 9
+  106.02 3.5571 36
+  107.025 1.2615 13
+  108.031 0.1494 1
+  111.118 0.7008 7
+  112.125 0.2678 3
+  115.058 0.5593 6
+  117.018 0.5752 6
+  118.024 0.447 4
+  119.033 3.1649 32
+  120.038 0.825 8
+  121.048 0.7952 8
+  129.018 0.9526 10
+  130.022 0.2331 2
+  131.033 1.0163 10
+  136.99 4.4744 45
+  137.996 1.601 16
+  139.002 0.8909 9
+  139.998 0.1585 2
+  140.158 0.3776 4
+  143.034 0.3776 4
+  145.049 0.3512 4
+  149.997 0.337 3
+  151.005 7.0041 70
+  152.013 60.6267 606
+  152.252 0.1351 1
+  152.555 0.1565 2
+  152.621 0.1638 2
+  153.016 10.4495 104
+  154.01 5.2531 52
+  154.079 0.3587 4
+  155.032 2.5986 26
+  156.035 0.4271 4
+  157.048 0.5646 6
+  165.021 2.4419 24
+  165.072 2.4121 24
+  166.024 0.4247 4
+  166.078 0.6275 6
+  167.031 0.5999 6
+  167.088 0.9949 10
+  168.039 0.172 2
+  169.048 0.2933 3
+  171.066 0.2347 2
+  179.035 0.8041 8
+  180.041 3.0791 31
+  181.049 24.9959 250
+  181.318 0.3604 4
+  182.053 5.5673 56
+  183.064 100 999
+  183.736 0.3032 3
+  184.067 18.0022 180
+  184.696 0.2019 2
+  185.064 4.5543 45
+  185.706 0.1219 1
+  186.066 0.5054 5
+  187.153 6.2115 62
+  188.157 0.8447 8
+  189.151 0.2834 3
+  193.049 1.2858 13
+  194.055 0.6028 6
+  195.064 15.8122 158
+  195.195 0.4034 4
+  196.071 13.7984 138
+  197.079 16.5011 165
+  198.081 3.2132 32
+  199.08 0.7799 8
+  207.066 0.2566 3
+  213.021 0.335 3
+  215.036 24.1597 241
+  216.039 4.5168 45
+  216.135 0.1644 2
+  217.034 2.1422 21
+  218.036 0.3279 3
+  227.037 0.8664 9
+  228.04 0.2219 2
+  229.052 36.7964 368
+  230.058 29.0215 290
+  230.818 0.1253 1
+  231.058 7.8025 78
+  232.057 2.6147 26
+  233.058 0.4967 5
+  241.053 0.249 2
+  244.165 1.0382 10
+  245.168 0.2693 3
+  257.083 0.4181 4
+  277.146 0.9 9
+  278.148 0.218 2
+  279.159 0.6305 6
+  291.161 0.2843 3
+  299.13 0.5541 6
+  313.147 0.2136 2
+  322.211 0.5148 5
+  323.217 0.5514 6
+  327.161 0.3825 4
+  355.192 5.8258 58
+  356.195 1.8024 18
+  357.192 0.6583 7
+  369.207 0.3411 3
+  370.215 5.2226 52
+  371.218 1.6451 16
+  372.215 0.6306 6
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ04022.txt b/MSSJ/MSBNK-MSSJ-MSJ04022.txt
new file mode 100644
index 00000000000..ca97c9f10ed
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ04022.txt
@@ -0,0 +1,174 @@
+ACCESSION: MSBNK-MSSJ-MSJ04022
+RECORD_TITLE: ((Heptan-2-ylthio)methyl)diphenylsilane; GC-EI-TOF; MS; POSITIVE; 70 V
+DATE: 2023.12.04
+AUTHORS: Eiyu Imai, Molecular Structure Characterization Unit, RIKEN, Japan
+LICENSE: CC BY
+COPYRIGHT: Eiyu Imai, Molecular Structure Characterization Unit, RIKEN, Japan
+PUBLICATION: Yong Luo, Huai-Long Teng, Can Xue, Masayoshi Nishiura, and Zhaomin Hou; ACS Catal. 2018, 8, 8027−8032. DOI: 10.1021/acscatal.8b02405
+COMMENT: Original ID of the mass spectral data is A_170628_luo4MB/143-2_ei.xlsx
+COMMENT: JMS-T100GCV (JEOL, Akishima, Japan) is a reflectron time-of-flight (reTOF) mass spectrometer. Temperature of the ion-source and GC-transfer line were 200 C and 250 C, respectively. Resolving power (FWHM, nominal) was 7000.
+COMMENT: EI voltage was 70 V. Typical accuracy level expected was 5 ppm. The m/z value was adjusted with 328.1681.
+CH$NAME: ((Heptan-2-ylthio)methyl)diphenylsilane
+CH$COMPOUND_CLASS: Non-natural compound
+CH$FORMULA: C20H28SSi
+CH$EXACT_MASS: 328.168098
+CH$SMILES: CC(SC[SiH](c1ccccc1)c1ccccc1)CCCCC
+CH$IUPAC: InChI=1S/C20H28SSi/c1-3-4-7-12-18(2)21-17-22(19-13-8-5-9-14-19)20-15-10-6-11-16-20/h5-6,8-11,13-16,18,22H,3-4,7,12,17H2,1-2H3
+CH$LINK: INCHIKEY LNLWALBMFWLKQJ-UHFFFAOYSA-N
+AC$INSTRUMENT: JMS-T100GCV (JEOL, Akishima, Japan) coupled to Agilent 7890A (Santa Clara, CA, USA) gas chromatograph.
+AC$INSTRUMENT_TYPE: GC-EI-TOF
+AC$MASS_SPECTROMETRY: MS_TYPE MS
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION EI
+AC$CHROMATOGRAPHY: CARRIER_GAS He, flow rate 1.5 ml/min
+AC$CHROMATOGRAPHY: COLUMN_NAME HP-5 19091J-413 USD364547H (Agilent, Wilmington, USA) with the length 30.0 m, I.D. 0.32 mm, and thickness 0.25 micrometer.
+AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE Initial oven temperature at 70 C for 4 min and ramped at the rate of 30 C/min to 320 C and held at the final temperature for 7.67 min.
+AC$CHROMATOGRAPHY: INJECTION_TEMPERATURE 250 C
+AC$CHROMATOGRAPHY: RETENTION_TIME 11.53 min
+PK$SPLASH: splash10-001i-3920000000-b81ad06764bcf5deb21a
+PK$NUM_PEAK: 143
+PK$PEAK: m/z int. rel.int.
+  27.024 2.6444 26
+  28.006 1.8847 19
+  28.031 0.3664 4
+  29.039 8.1791 82
+  31.99 0.7092 7
+  39.024 1.7237 17
+  40.031 0.2439 2
+  41.04 13.1512 131
+  41.088 0.1534 2
+  42.046 1.5637 16
+  43.001 0.396 4
+  43.055 12.0757 121
+  43.109 0.1338 1
+  44.059 0.4238 4
+  44.98 0.4063 4
+  45.989 0.2956 3
+  46.996 0.4185 4
+  51.024 0.7515 8
+  52.985 3.6747 37
+  53.04 0.6244 6
+  53.988 0.3271 3
+  54.047 0.2792 3
+  55.001 0.5674 6
+  55.055 7.3254 73
+  56.063 2.9277 29
+  57.071 16.0691 161
+  58.075 0.6555 7
+  58.996 0.5325 5
+  60.004 0.2713 3
+  61.012 0.6294 6
+  65.04 1.2547 13
+  67.001 0.6005 6
+  67.056 0.3143 3
+  69.071 1.4687 15
+  70.079 2.012 20
+  71.086 0.3936 4
+  74.02 0.4098 4
+  74.973 0.9789 10
+  75.028 0.8739 9
+  76.985 0.3287 3
+  77.04 2.7385 27
+  77.993 0.2442 2
+  78.047 1.0867 11
+  79.001 3.1238 31
+  79.055 0.7421 7
+  80.004 0.3796 4
+  81.017 0.4815 5
+  81.071 0.2966 3
+  83.087 0.869 9
+  84.094 0.5109 5
+  89.04 0.5325 5
+  90.047 0.4608 5
+  91.055 22.92 229
+  91.19 0.1305 1
+  92.06 1.9907 20
+  93.017 2.0529 21
+  93.07 0.3069 3
+  94.018 0.2374 2
+  97.103 0.8639 9
+  98.11 0.9456 9
+  103.001 2.2263 22
+  104.007 0.5769 6
+  105.017 31.1152 311
+  105.071 5.7025 57
+  106.019 3.6719 37
+  106.075 0.5358 5
+  107.023 1.2769 13
+  108.033 0.1504 2
+  112.126 0.3184 3
+  115.056 0.4077 4
+  117.017 0.6076 6
+  118.024 0.3147 3
+  119.033 2.6527 27
+  120.037 0.5457 5
+  121.047 0.3818 4
+  128.063 0.2408 2
+  129.018 1.007 10
+  130.024 0.3429 3
+  131.033 0.9601 10
+  136.989 5.1733 52
+  137.996 4.4619 45
+  139.003 2.7865 28
+  139.999 0.4818 5
+  141.001 0.2257 2
+  143.034 0.2926 3
+  145.106 1.0577 11
+  148.989 0.2457 2
+  149.997 0.3762 4
+  151.005 13.2611 132
+  152.012 32.5473 325
+  153.016 7.0628 71
+  154.01 2.8669 29
+  154.078 0.3051 3
+  155.032 2.9944 30
+  156.035 0.4667 5
+  157.048 0.5759 6
+  165.072 2.22 22
+  166.077 0.5498 5
+  167.033 0.396 4
+  167.087 0.8788 9
+  169.048 0.2427 2
+  179.034 0.8942 9
+  180.041 3.4626 35
+  181.049 22.8662 228
+  181.317 0.3734 4
+  182.052 4.9566 50
+  183.064 100 999
+  183.735 0.2959 3
+  184.067 17.7215 177
+  184.691 0.1977 2
+  185.064 4.4019 44
+  185.673 0.113 1
+  185.745 0.1174 1
+  186.066 0.4748 5
+  193.049 1.0872 11
+  194.055 0.5021 5
+  195.064 17.5998 176
+  196.071 11.5649 116
+  197.079 15.0796 151
+  198.081 2.7936 28
+  199.079 0.6616 7
+  213.021 0.3146 3
+  215.036 19.1701 192
+  215.242 0.136 1
+  216.038 3.4879 35
+  217.034 1.682 17
+  218.035 0.2465 2
+  227.036 0.9288 9
+  228.041 0.2385 2
+  229.051 41.9662 419
+  230.056 16.0713 161
+  231.054 5.4135 54
+  232.055 1.3547 14
+  233.057 0.2729 3
+  237.114 0.3058 3
+  243.067 0.2699 3
+  257.083 0.6127 6
+  280.164 0.3441 3
+  313.145 1.4739 15
+  314.147 0.4101 4
+  328.168 5.0583 51
+  329.171 1.4157 14
+  330.168 0.5437 5
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ04023.txt b/MSSJ/MSBNK-MSSJ-MSJ04023.txt
new file mode 100644
index 00000000000..f02de27029d
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ04023.txt
@@ -0,0 +1,169 @@
+ACCESSION: MSBNK-MSSJ-MSJ04023
+RECORD_TITLE: ((Cycloheptylthio)methyl)diphenylsilane; GC-EI-TOF; MS; POSITIVE; 70 V
+DATE: 2023.12.04
+AUTHORS: Eiyu Imai, Molecular Structure Characterization Unit, RIKEN, Japan
+LICENSE: CC BY
+COPYRIGHT: Eiyu Imai, Molecular Structure Characterization Unit, RIKEN, Japan
+PUBLICATION: Yong Luo, Huai-Long Teng, Can Xue, Masayoshi Nishiura, and Zhaomin Hou; ACS Catal. 2018, 8, 8027−8032. DOI: 10.1021/acscatal.8b02405
+COMMENT: Original ID of the mass spectral data is A_170628_luo4MB/143-3_ei.xlsx
+COMMENT: JMS-T100GCV (JEOL, Akishima, Japan) is a reflectron time-of-flight (reTOF) mass spectrometer. Temperature of the ion-source and GC-transfer line were 200 C and 250 C, respectively. Resolving power (FWHM, nominal) was 7000.
+COMMENT: EI voltage was 70 V. Typical accuracy level expected was 5 ppm. The m/z value was adjusted with 326.1524.
+CH$NAME: ((Cycloheptylthio)methyl)diphenylsilane
+CH$COMPOUND_CLASS: Non-natural compound
+CH$FORMULA: C20H26SSi
+CH$EXACT_MASS: 326.152448
+CH$SMILES: c1cccc(c1)[SiH](CSC1CCCCCC1)c1ccccc1
+CH$IUPAC: InChI=1S/C20H26SSi/c1-2-6-12-18(11-5-1)21-17-22(19-13-7-3-8-14-19)20-15-9-4-10-16-20/h3-4,7-10,13-16,18,22H,1-2,5-6,11-12,17H2
+CH$LINK: INCHIKEY RQKNKRAZXNDIEY-UHFFFAOYSA-N
+AC$INSTRUMENT: JMS-T100GCV (JEOL, Akishima, Japan) coupled to Agilent 7890A (Santa Clara, CA, USA) gas chromatograph.
+AC$INSTRUMENT_TYPE: GC-EI-TOF
+AC$MASS_SPECTROMETRY: MS_TYPE MS
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION EI
+AC$CHROMATOGRAPHY: CARRIER_GAS He, flow rate 1.5 ml/min
+AC$CHROMATOGRAPHY: COLUMN_NAME HP-5 19091J-413 USD364547H (Agilent, Wilmington, USA) with the length 30.0 m, I.D. 0.32 mm, and thickness 0.25 micrometer.
+AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE Initial oven temperature at 70 C for 4 min and ramped at the rate of 30 C/min to 320 C and held at the final temperature for 7.67 min.
+AC$CHROMATOGRAPHY: INJECTION_TEMPERATURE 250 C
+AC$CHROMATOGRAPHY: RETENTION_TIME 12.17 min
+PK$SPLASH: splash10-001i-4910000000-7a2981d3032275cd01d5
+PK$NUM_PEAK: 138
+PK$PEAK: m/z int. rel.int.
+  27.024 1.847 18
+  28.006 1.8784 19
+  28.031 0.357 4
+  29.039 3.7225 37
+  31.99 0.7515 8
+  39.024 3.1897 32
+  40.031 0.4221 4
+  41.04 12.2541 122
+  41.091 0.1375 1
+  42.045 0.7252 7
+  43.001 0.4048 4
+  43.055 3.6939 37
+  44.981 0.9505 9
+  46.996 0.4648 5
+  51.024 0.8674 9
+  52.031 0.2415 2
+  52.985 3.695 37
+  53.04 2.1024 21
+  53.988 0.326 3
+  54.048 2.3935 24
+  55.001 0.595 6
+  55.055 42.2143 422
+  56.059 2.0105 20
+  57.071 0.2723 3
+  61.012 0.2717 3
+  65.04 1.6428 16
+  66.047 0.5174 5
+  67.001 0.6089 6
+  67.056 4.724 47
+  68.063 1.9332 19
+  69.071 2.7203 27
+  74.973 0.8278 8
+  76.986 0.3445 3
+  77.04 2.9964 30
+  77.993 0.2589 3
+  78.047 1.2494 12
+  79.001 3.2548 33
+  79.056 1.2865 13
+  80.004 0.3973 4
+  80.063 0.3054 3
+  81.017 0.497 5
+  81.071 3.9313 39
+  82.079 3.4261 34
+  83.083 0.2699 3
+  87.028 0.2297 2
+  89.041 0.517 5
+  90.048 0.4373 4
+  91.056 19.4626 194
+  92.06 1.8286 18
+  93.017 1.9522 20
+  93.071 0.6131 6
+  95.087 3.3759 34
+  96.094 1.3926 14
+  97.103 4.8657 49
+  98.106 0.3982 4
+  103.002 2.1669 22
+  104.007 0.572 6
+  105.017 30.7032 307
+  106.019 3.7187 37
+  107.024 1.2669 13
+  110.11 0.7727 8
+  115.056 0.4624 5
+  117.018 0.5456 5
+  117.071 0.2815 3
+  118.023 0.2917 3
+  119.033 2.1971 22
+  120.038 0.4625 5
+  121.047 0.337 3
+  128.066 0.8205 8
+  129.017 1.0313 10
+  129.073 0.3833 4
+  130.022 0.2363 2
+  131.033 0.9836 10
+  136.989 5.4847 55
+  137.996 5.3172 53
+  139.003 2.9502 29
+  139.998 0.5692 6
+  141.002 0.2256 2
+  143.033 0.2725 3
+  143.09 2.77 28
+  144.094 0.2978 3
+  148.99 0.2427 2
+  149.997 0.4639 5
+  151.005 9.6568 96
+  152.012 43.5754 435
+  152.558 0.1293 1
+  153.015 8.1059 81
+  154.01 3.8015 38
+  154.078 0.3524 4
+  155.032 3.0685 31
+  156.035 0.4961 5
+  157.047 0.5613 6
+  165.072 2.0091 20
+  166.077 0.4923 5
+  167.033 0.386 4
+  167.087 0.6712 7
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+  170.057 0.1945 2
+  179.033 0.6803 7
+  180.041 3.4288 34
+  181.049 22.4665 224
+  181.318 0.3388 3
+  182.052 5.0933 51
+  183.064 100 999
+  183.735 0.3087 3
+  184.066 17.9451 179
+  184.695 0.203 2
+  185.063 4.4724 45
+  185.714 0.1206 1
+  186.066 0.4798 5
+  193.048 0.8836 9
+  194.054 0.4484 4
+  195.064 12.0764 121
+  196.071 8.7651 88
+  197.079 16.2565 162
+  198.081 3.0364 30
+  199.079 0.7248 7
+  213.02 0.3907 4
+  214.027 0.2755 3
+  215.036 23.3203 233
+  216.038 4.3389 43
+  217.034 2.0719 21
+  218.035 0.3283 3
+  227.036 1.0782 11
+  228.04 0.2874 3
+  229.051 9.9826 100
+  230.058 19.0704 191
+  231.064 8.8256 88
+  232.061 2.4355 24
+  233.063 0.7354 7
+  235.097 0.2641 3
+  278.149 0.2673 3
+  311.129 1.5026 15
+  312.132 0.3978 4
+  326.152 6.7307 67
+  326.293 0.1218 1
+  327.155 1.8769 19
+  328.152 0.7323 7
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ04024.txt b/MSSJ/MSBNK-MSSJ-MSJ04024.txt
new file mode 100644
index 00000000000..3ca0fd20355
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ04024.txt
@@ -0,0 +1,184 @@
+ACCESSION: MSBNK-MSSJ-MSJ04024
+RECORD_TITLE: Diphenyl(((3-phenylpropyl)thio)methyl)silane; GC-EI-TOF; MS; POSITIVE; 70 V
+DATE: 2023.12.04
+AUTHORS: Eiyu Imai, Molecular Structure Characterization Unit, RIKEN, Japan
+LICENSE: CC BY
+COPYRIGHT: Eiyu Imai, Molecular Structure Characterization Unit, RIKEN, Japan
+PUBLICATION: Yong Luo, Huai-Long Teng, Can Xue, Masayoshi Nishiura, and Zhaomin Hou; ACS Catal. 2018, 8, 8027−8032. DOI: 10.1021/acscatal.8b02405
+COMMENT: Original ID of the mass spectral data is A_170628_luo4MB/144-2_ei.xlsx
+COMMENT: JMS-T100GCV (JEOL, Akishima, Japan) is a reflectron time-of-flight (reTOF) mass spectrometer. Temperature of the ion-source and GC-transfer line were 200 C and 250 C, respectively. Resolving power (FWHM, nominal) was 7000.
+COMMENT: EI voltage was 70 V. Typical accuracy level expected was 5 ppm. The m/z value was adjusted with 348.1368.
+CH$NAME: Diphenyl(((3-phenylpropyl)thio)methyl)silane
+CH$COMPOUND_CLASS: Non-natural compound
+CH$FORMULA: C22H24SSi
+CH$EXACT_MASS: 348.136798
+CH$SMILES: c1cccc(c1)[SiH](CSCCCc1ccccc1)c1ccccc1
+CH$IUPAC: InChI=1S/C22H24SSi/c1-4-11-20(12-5-1)13-10-18-23-19-24(21-14-6-2-7-15-21)22-16-8-3-9-17-22/h1-9,11-12,14-17,24H,10,13,18-19H2
+CH$LINK: INCHIKEY HVCSVMMUENIEHL-UHFFFAOYSA-N
+AC$INSTRUMENT: JMS-T100GCV (JEOL, Akishima, Japan) coupled to Agilent 7890A (Santa Clara, CA, USA) gas chromatograph.
+AC$INSTRUMENT_TYPE: GC-EI-TOF
+AC$MASS_SPECTROMETRY: MS_TYPE MS
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION EI
+AC$CHROMATOGRAPHY: CARRIER_GAS He, flow rate 1.5 ml/min
+AC$CHROMATOGRAPHY: COLUMN_NAME HP-5 19091J-413 USD364547H (Agilent, Wilmington, USA) with the length 30.0 m, I.D. 0.32 mm, and thickness 0.25 micrometer.
+AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE Initial oven temperature at 70 C for 4 min and ramped at the rate of 30 C/min to 320 C and held at the final temperature for 7.67 min.
+AC$CHROMATOGRAPHY: INJECTION_TEMPERATURE 250 C
+AC$CHROMATOGRAPHY: RETENTION_TIME 12.71 min
+PK$SPLASH: splash10-001i-2910000000-6b4a4107ac81b66fe41d
+PK$NUM_PEAK: 153
+PK$PEAK: m/z int. rel.int.
+  27.024 0.4517 5
+  28.006 2.2065 22
+  31.99 0.8871 9
+  39.024 2.1342 21
+  41.04 4.1267 41
+  43.001 0.4407 4
+  44.98 0.9825 10
+  45.988 0.8564 9
+  46.996 0.7582 8
+  50.016 0.3247 3
+  51.024 1.766 18
+  52.032 0.4426 4
+  52.985 4.4393 44
+  53.04 0.2883 3
+  53.988 0.4026 4
+  55.001 0.6386 6
+  61.012 7.7111 77
+  62.015 0.3454 3
+  63.024 0.7764 8
+  65.04 6.1387 61
+  65.993 0.2961 3
+  66.044 0.3729 4
+  67.001 0.7477 7
+  74.973 0.6549 7
+  76.986 0.4197 4
+  77.04 4.1254 41
+  77.993 0.2937 3
+  78.047 1.9478 19
+  79.001 3.7768 38
+  79.056 1.3555 14
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+  81.017 0.5559 6
+  89.04 1.2135 12
+  90.048 0.8159 8
+  91.056 56.7856 567
+  91.241 0.1342 1
+  91.477 0.1352 1
+  91.528 0.1518 2
+  92.06 4.7094 47
+  93.017 2.2029 22
+  93.067 0.282 3
+  94.019 0.2512 3
+  102.048 0.2797 3
+  103.002 2.5274 25
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+  104.007 0.6575 7
+  104.064 2.434 24
+  105.017 35.0422 350
+  105.072 2.9296 29
+  106.019 4.0972 41
+  106.075 0.2722 3
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+  108.033 0.1532 2
+  109.013 0.195 2
+  115.056 2.6691 27
+  116.063 0.6068 6
+  117.018 0.6881 7
+  117.072 15.2156 152
+  117.206 0.4853 5
+  118.025 0.5321 5
+  118.079 52.2105 522
+  118.559 0.1123 1
+  119.033 2.5125 25
+  119.083 5.3574 54
+  120.039 0.6509 7
+  120.087 0.2699 3
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+  123.029 0.8594 9
+  128.064 0.2965 3
+  129.017 1.1496 11
+  130.023 0.2733 3
+  131.033 1.1773 12
+  131.088 0.3687 4
+  132.094 0.2649 3
+  136.989 3.4323 34
+  137.995 0.8883 9
+  138.999 0.4555 5
+  143.033 0.3299 3
+  145.048 0.3749 4
+  149.997 0.2909 3
+  151.005 5.0615 51
+  152.012 25.57 255
+  153.016 4.7516 47
+  154.01 2.3121 23
+  154.079 0.2726 3
+  155.033 3.4599 35
+  156.035 0.5477 5
+  157.048 0.6557 7
+  158.055 0.1956 2
+  165.02 0.5629 6
+  165.072 2.6582 27
+  166.078 0.6631 7
+  167.032 0.4675 5
+  167.087 1.1842 12
+  168.037 0.1892 2
+  169.048 0.2682 3
+  179.035 1.7944 18
+  180.041 4.0587 41
+  180.17 0.1337 1
+  181.049 29.5 295
+  181.318 0.4415 4
+  182.052 6.0153 60
+  183.064 100 999
+  183.734 0.3107 3
+  184.067 18.0237 180
+  184.692 0.2051 2
+  185.064 4.5173 45
+  185.707 0.1278 1
+  186.066 0.4968 5
+  192.043 0.2731 3
+  193.049 1.3167 13
+  194.055 0.5956 6
+  195.064 14.6022 146
+  195.195 0.3949 4
+  196.071 14.285 143
+  196.27 0.1239 1
+  197.079 11.3034 113
+  198.08 2.1735 22
+  199.079 0.4759 5
+  207.035 0.1882 2
+  213.021 0.3004 3
+  215.036 10.2905 103
+  216.039 1.8987 19
+  217.034 0.9375 9
+  222.087 0.2447 2
+  227.037 0.8277 8
+  228.04 0.2195 2
+  229.052 13.8281 138
+  230.058 10.5812 106
+  231.058 2.851 28
+  232.057 0.9563 10
+  233.061 0.2024 2
+  255.067 1.1605 12
+  256.069 0.2638 3
+  257.082 1.4257 14
+  258.085 0.3311 3
+  259.089 0.2614 3
+  269.082 0.3191 3
+  270.089 0.3333 3
+  271.093 0.1636 2
+  272.101 0.445 4
+  300.133 1.3775 14
+  301.14 1.4899 15
+  302.142 0.3943 4
+  306.086 0.1899 2
+  333.114 1.5841 16
+  334.116 0.4986 5
+  335.112 0.21 2
+  347.13 0.2759 3
+  348.137 12.0357 120
+  349.139 3.6282 36
+  350.137 1.3767 14
+  351.138 0.2987 3
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ04025.txt b/MSSJ/MSBNK-MSSJ-MSJ04025.txt
new file mode 100644
index 00000000000..3304bc097c4
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ04025.txt
@@ -0,0 +1,213 @@
+ACCESSION: MSBNK-MSSJ-MSJ04025
+RECORD_TITLE: (((2-((3R,5R,7R)-Adamantan-1-yl)ethyl)thio)methyl)diphenylsilane; GC-EI-TOF; MS; POSITIVE; 70 V
+DATE: 2023.12.04
+AUTHORS: Eiyu Imai, Molecular Structure Characterization Unit, RIKEN, Japan
+LICENSE: CC BY
+COPYRIGHT: Eiyu Imai, Molecular Structure Characterization Unit, RIKEN, Japan
+PUBLICATION: Yong Luo, Huai-Long Teng, Can Xue, Masayoshi Nishiura, and Zhaomin Hou; ACS Catal. 2018, 8, 8027−8032. DOI: 10.1021/acscatal.8b02405
+COMMENT: Original ID of the mass spectral data is A_170628_luo4MB/144-3_ei.xlsx
+COMMENT: JMS-T100GCV (JEOL, Akishima, Japan) is a reflectron time-of-flight (reTOF) mass spectrometer. Temperature of the ion-source and GC-transfer line were 200 C and 250 C, respectively. Resolving power (FWHM, nominal) was 7000.
+COMMENT: EI voltage was 70 V. Typical accuracy level expected was 5 ppm. The m/z value was adjusted with 392.1994.
+CH$NAME: (((2-((3R,5R,7R)-Adamantan-1-yl)ethyl)thio)methyl)diphenylsilane
+CH$COMPOUND_CLASS: Non-natural compound
+CH$FORMULA: C25H32SSi
+CH$EXACT_MASS: 392.199398
+CH$SMILES: c1ccccc1[SiH](CSCCC12CC3CC(C1)CC(C2)C3)c1ccccc1
+CH$IUPAC: InChI=1S/C25H32SSi/c1-3-7-23(8-4-1)27(24-9-5-2-6-10-24)19-26-12-11-25-16-20-13-21(17-25)15-22(14-20)18-25/h1-10,20-22,27H,11-19H2
+CH$LINK: INCHIKEY MNDBSMQWZLCCMM-UHFFFAOYSA-N
+AC$INSTRUMENT: JMS-T100GCV (JEOL, Akishima, Japan) coupled to Agilent 7890A (Santa Clara, CA, USA) gas chromatograph.
+AC$INSTRUMENT_TYPE: GC-EI-TOF
+AC$MASS_SPECTROMETRY: MS_TYPE MS
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION EI
+AC$CHROMATOGRAPHY: CARRIER_GAS He, flow rate 1.5 ml/min
+AC$CHROMATOGRAPHY: COLUMN_NAME HP-5 19091J-413 USD364547H (Agilent, Wilmington, USA) with the length 30.0 m, I.D. 0.32 mm, and thickness 0.25 micrometer.
+AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE Initial oven temperature at 70 C for 4 min and ramped at the rate of 30 C/min to 320 C and held at the final temperature for 11.67 min.
+AC$CHROMATOGRAPHY: INJECTION_TEMPERATURE 250 C
+AC$CHROMATOGRAPHY: RETENTION_TIME 13.99 min
+PK$SPLASH: splash10-003r-4931000000-0fbd9e9a5aff07e31c7d
+PK$NUM_PEAK: 182
+PK$PEAK: m/z int. rel.int.
+  27.024 0.6849 7
+  28.006 4.8186 48
+  28.032 0.145 1
+  29.039 1.723 17
+  31.99 1.814 18
+  39.024 1.4061 14
+  41.04 7.9314 79
+  42.045 0.3296 3
+  43.001 0.4163 4
+  43.055 1.6768 17
+  44.981 0.3806 4
+  46.996 0.3786 4
+  51.024 0.7076 7
+  52.032 0.3141 3
+  52.986 2.9066 29
+  53.04 2.3325 23
+  53.988 0.2667 3
+  54.047 0.4031 4
+  55.001 0.5209 5
+  55.056 7.7064 77
+  56.06 0.5174 5
+  57.071 0.6094 6
+  60.005 0.2956 3
+  61.012 5.9946 60
+  63.008 0.2773 3
+  65.04 2.2652 23
+  66.047 0.7009 7
+  67.001 0.5847 6
+  67.056 10.3276 103
+  67.123 0.1304 1
+  68.06 0.6817 7
+  69.071 3.0722 31
+  70.076 0.2274 2
+  74.974 0.4207 4
+  76.986 0.2788 3
+  77.04 7.8312 78
+  78.047 2.4605 25
+  79.001 2.6552 27
+  79.056 21.6569 216
+  80.004 0.2947 3
+  80.061 2.32 23
+  81.017 0.4218 4
+  81.072 8.7273 87
+  81.144 0.157 2
+  82.076 0.6056 6
+  83.087 0.501 5
+  89.041 0.4027 4
+  90.048 0.4007 4
+  91.056 32.3049 323
+  92.062 4.4575 45
+  93.017 2.1068 21
+  93.072 16.8215 168
+  93.208 0.1205 1
+  94.019 0.2038 2
+  94.077 1.6994 17
+  95.087 2.2955 23
+  103.002 1.8467 18
+  103.056 0.5742 6
+  104.008 0.5094 5
+  104.064 0.4521 5
+  105.018 29.5636 295
+  105.072 6.3583 64
+  106.02 3.4968 35
+  106.078 1.3767 14
+  107.023 1.1341 11
+  107.088 6.4687 65
+  108.092 0.667 7
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+  118.079 0.2185 2
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+  121.103 1.2039 12
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+  135.119 27.7523 277
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+  149.134 0.2188 2
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+  151.005 6.3651 64
+  152.013 29.1637 291
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+  154.01 2.4709 25
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+  155.033 2.7384 27
+  156.036 0.4305 4
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+  161.135 1.2409 12
+  162.142 0.8591 9
+  163.15 1.6411 16
+  165.021 1.4765 15
+  165.072 2.3819 24
+  166.022 0.2626 3
+  166.078 0.5916 6
+  167.033 0.4776 5
+  167.087 0.8599 9
+  168.038 0.1705 2
+  169.048 0.236 2
+  179.035 0.9521 10
+  180.042 3.2313 32
+  181.049 26.7382 267
+  181.318 0.4346 4
+  182.053 5.7527 57
+  183.065 100 999
+  183.549 0.2236 2
+  183.734 0.2994 3
+  184.067 17.3884 174
+  184.7 0.2334 2
+  185.064 4.3329 43
+  185.703 0.1429 1
+  186.066 0.4668 5
+  193.05 1.1809 12
+  193.106 1.5788 16
+  194.055 0.5983 6
+  194.113 0.6633 7
+  195.065 16.5684 166
+  196.071 12.9677 130
+  197.08 23.5213 235
+  198.082 4.3935 44
+  198.199 0.1224 1
+  199.079 1.0455 10
+  207.035 0.4942 5
+  209.138 34.1237 341
+  210.141 4.8954 49
+  210.26 0.1497 1
+  211.135 1.7037 17
+  212.138 0.215 2
+  213.022 0.3578 4
+  215.037 19.7892 198
+  216.039 3.5161 35
+  217.035 1.8045 18
+  218.035 0.2809 3
+  227.038 0.9049 9
+  228.042 0.2399 2
+  229.052 58.8053 587
+  229.802 0.1708 2
+  230.057 25.3181 253
+  230.834 0.1395 1
+  231.054 7.3705 74
+  231.175 0.1243 1
+  232.055 2.0774 21
+  233.055 0.3448 3
+  241.052 0.7611 8
+  257.083 0.5641 6
+  266.149 0.5696 6
+  267.155 0.1763 2
+  281.052 0.1901 2
+  299.131 0.304 3
+  301.146 1.7036 17
+  302.148 0.4289 4
+  303.144 0.1758 2
+  314.152 0.3498 3
+  315.158 0.2327 2
+  344.196 2.5073 25
+  345.203 3.198 32
+  346.205 0.9016 9
+  347.205 0.2014 2
+  377.177 32.9269 329
+  378.179 10.3133 103
+  379.176 3.8951 39
+  380.177 0.8691 9
+  391.192 0.5655 6
+  392.199 7.1212 71
+  393.202 2.364 24
+  394.2 0.905 9
+  395.2 0.2178 2
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ04026.txt b/MSSJ/MSBNK-MSSJ-MSJ04026.txt
new file mode 100644
index 00000000000..d2ac05ea888
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ04026.txt
@@ -0,0 +1,190 @@
+ACCESSION: MSBNK-MSSJ-MSJ04026
+RECORD_TITLE: (((3-(4-Bromophenyl)propyl)thio)methyl)diphenylsilane; GC-EI-TOF; MS; POSITIVE; 70 V
+DATE: 2023.12.04
+AUTHORS: Eiyu Imai, Molecular Structure Characterization Unit, RIKEN, Japan
+LICENSE: CC BY
+COPYRIGHT: Eiyu Imai, Molecular Structure Characterization Unit, RIKEN, Japan
+PUBLICATION: Yong Luo, Huai-Long Teng, Can Xue, Masayoshi Nishiura, and Zhaomin Hou; ACS Catal. 2018, 8, 8027−8032. DOI: 10.1021/acscatal.8b02405
+COMMENT: Original ID of the mass spectral data is A_170628_luo4MB/144-4_ei.xlsx
+COMMENT: JMS-T100GCV (JEOL, Akishima, Japan) is a reflectron time-of-flight (reTOF) mass spectrometer. Temperature of the ion-source and GC-transfer line were 200 C and 250 C, respectively. Resolving power (FWHM, nominal) was 7000.
+COMMENT: EI voltage was 70 V. Typical accuracy level expected was 5 ppm. The m/z value was adjusted with 426.0473.
+CH$NAME: (((3-(4-Bromophenyl)propyl)thio)methyl)diphenylsilane
+CH$COMPOUND_CLASS: Non-natural compound
+CH$FORMULA: C22H23BrSSi
+CH$EXACT_MASS: 426.047311
+CH$SMILES: Brc1ccc(CCCSC[SiH](c2ccccc2)c2ccccc2)cc1
+CH$IUPAC: InChI=1S/C22H23BrSSi/c23-20-15-13-19(14-16-20)8-7-17-24-18-25(21-9-3-1-4-10-21)22-11-5-2-6-12-22/h1-6,9-16,25H,7-8,17-18H2
+CH$LINK: INCHIKEY XSMCQDOOFOQMOL-UHFFFAOYSA-N
+AC$INSTRUMENT: JMS-T100GCV (JEOL, Akishima, Japan) coupled to Agilent 7890A (Santa Clara, CA, USA) gas chromatograph.
+AC$INSTRUMENT_TYPE: GC-EI-TOF
+AC$MASS_SPECTROMETRY: MS_TYPE MS
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION EI
+AC$CHROMATOGRAPHY: CARRIER_GAS He, flow rate 1.5 ml/min
+AC$CHROMATOGRAPHY: COLUMN_NAME HP-5 19091J-413 USD364547H (Agilent, Wilmington, USA) with the length 30.0 m, I.D. 0.32 mm, and thickness 0.25 micrometer.
+AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE Initial oven temperature at 70 C for 4 min and ramped at the rate of 30 C/min to 320 C and held at the final temperature for 11.67 min.
+AC$CHROMATOGRAPHY: INJECTION_TEMPERATURE 250 C
+AC$CHROMATOGRAPHY: RETENTION_TIME 13.81 min
+PK$SPLASH: splash10-001j-1900000000-490b82042cc6395ca183
+PK$NUM_PEAK: 159
+PK$PEAK: m/z int. rel.int.
+  28.006 2.5949 26
+  31.99 1.0302 10
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+  104.008 0.5842 6
+  104.064 0.8457 8
+  105.017 31.5526 315
+  106.02 3.6612 37
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+  108.026 0.1242 1
+  115.057 4.2627 43
+  116.064 2.4937 25
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+  131.033 1.0083 10
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+  149.997 0.2628 3
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+  151.005 4.7994 48
+  152.013 21.0572 210
+  153.016 3.9102 39
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+  154.011 1.8352 18
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+  155.033 2.957 30
+  156.035 0.4508 5
+  157.049 0.5596 6
+  165.021 0.4367 4
+  165.072 2.4019 24
+  166.078 0.679 7
+  167.034 0.4607 5
+  167.088 3.3037 33
+  168.092 0.4746 5
+  168.968 9.9979 100
+  169.049 0.3536 4
+  169.971 0.7684 8
+  170.966 9.7704 98
+  171.969 0.756 8
+  179.034 0.8019 8
+  180.042 3.4378 34
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+  182.983 0.656 7
+  183.065 100 999
+  183.733 0.3007 3
+  183.974 0.899 9
+  184.067 17.4392 174
+  184.69 0.2109 2
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+  185.673 0.1269 1
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+  186.067 0.4768 5
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+  229.052 9.9931 100
+  230.058 8.5779 86
+  231.058 2.0569 21
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+  256.946 0.3728 4
+  257.083 0.8978 9
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+  258.945 0.3543 4
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+  334.982 0.5433 5
+  336.992 0.3219 3
+  348 0.2106 2
+  348.994 0.1763 2
+  350.002 0.2799 3
+  378.043 0.9455 9
+  379.048 0.3947 4
+  380.042 0.996 10
+  381.047 0.4037 4
+  411.024 0.4421 4
+  413.023 0.4568 5
+  426.047 5.1831 52
+  427.05 1.5542 16
+  428.046 5.6163 56
+  428.213 0.1202 1
+  429.048 1.6113 16
+  430.045 0.5795 6
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ04027.txt b/MSSJ/MSBNK-MSSJ-MSJ04027.txt
new file mode 100644
index 00000000000..1828450a278
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ04027.txt
@@ -0,0 +1,235 @@
+ACCESSION: MSBNK-MSSJ-MSJ04027
+RECORD_TITLE: (4-(((Ｄiphenylsilyl)methyl)thio)butyl)trimethylsilane; GC-EI-TOF; MS; POSITIVE; 70 V
+DATE: 2023.12.04
+AUTHORS: Eiyu Imai, Molecular Structure Characterization Unit, RIKEN, Japan
+LICENSE: CC BY
+COPYRIGHT: Eiyu Imai, Molecular Structure Characterization Unit, RIKEN, Japan
+PUBLICATION: Yong Luo, Huai-Long Teng, Can Xue, Masayoshi Nishiura, and Zhaomin Hou; ACS Catal. 2018, 8, 8027−8032. DOI: 10.1021/acscatal.8b02405
+COMMENT: Original ID of the mass spectral data is A_170628_luo4MB/145-1_ei.xlsx
+COMMENT: JMS-T100GCV (JEOL, Akishima, Japan) is a reflectron time-of-flight (reTOF) mass spectrometer. Temperature of the ion-source and GC-transfer line were 200 C and 250 C, respectively. Resolving power (FWHM, nominal) was 7000.
+COMMENT: EI voltage was 70 V. Typical accuracy level expected was 5 ppm. The m/z value was adjusted with 358.1607.
+CH$NAME: (4-(((Ｄiphenylsilyl)methyl)thio)butyl)trimethylsilane
+CH$COMPOUND_CLASS: Non-natural compound
+CH$FORMULA: C20H30SSi2
+CH$EXACT_MASS: 358.160675
+CH$SMILES: C[Si](C)(C)CCCCSC[SiH](c1ccccc1)c1ccccc1
+CH$IUPAC: InChI=1S/C20H30SSi2/c1-23(2,3)17-11-10-16-21-18-22(19-12-6-4-7-13-19)20-14-8-5-9-15-20/h4-9,12-15,22H,10-11,16-18H2,1-3H3
+CH$LINK: INCHIKEY MNVANYARLHZKMR-UHFFFAOYSA-N
+AC$INSTRUMENT: JMS-T100GCV (JEOL, Akishima, Japan) coupled to Agilent 7890A (Santa Clara, CA, USA) gas chromatograph.
+AC$INSTRUMENT_TYPE: GC-EI-TOF
+AC$MASS_SPECTROMETRY: MS_TYPE MS
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION EI
+AC$CHROMATOGRAPHY: CARRIER_GAS He, flow rate 1.5 ml/min
+AC$CHROMATOGRAPHY: COLUMN_NAME HP-5 19091J-413 USD364547H (Agilent, Wilmington, USA) with the length 30.0 m, I.D. 0.32 mm, and thickness 0.25 micrometer.
+AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE Initial oven temperature at 70 C for 4 min and ramped at the rate of 30 C/min to 320 C and held at the final temperature for 7.67 min.
+AC$CHROMATOGRAPHY: INJECTION_TEMPERATURE 250 C
+AC$CHROMATOGRAPHY: RETENTION_TIME 11.85 min
+PK$SPLASH: splash10-0089-4920000000-4f3f778161f694595697
+PK$NUM_PEAK: 204
+PK$PEAK: m/z int. rel.int.
+  27.024 0.3414 3
+  28.006 4.1538 41
+  28.985 0.8233 8
+  29.039 0.973 10
+  31.001 0.9068 9
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+  43.001 4.2595 43
+  44.008 1.6168 16
+  44.981 0.3033 3
+  45.017 9.6649 97
+  45.071 0.14 1
+  46.017 0.552 6
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+  53.989 0.3418 3
+  55.001 1.0835 11
+  55.056 2.8561 29
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+  65.04 0.9541 10
+  67.002 0.6523 7
+  69.017 0.3025 3
+  70.025 0.3761 4
+  71.033 1.7 17
+  72.04 1.7214 17
+  73.048 99.9559 999
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+  73.751 0.2005 2
+  74.049 7.9278 79
+  74.973 1.4806 15
+  75.045 3.3524 33
+  75.98 0.2281 2
+  76.043 0.161 2
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+  77.04 1.7935 18
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+  79.001 3.0685 31
+  79.055 0.3319 3
+  80.005 0.4087 4
+  81.017 0.5759 6
+  83.032 0.4057 4
+  85.048 1.9925 20
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+  87.029 0.1965 2
+  88.99 0.3466 3
+  89.04 0.3931 4
+  89.996 0.4369 4
+  90.048 0.4261 4
+  91.005 2.0655 21
+  91.056 20.573 206
+  92.007 0.2705 3
+  92.06 1.6835 17
+  93.017 2.6376 26
+  93.071 0.1684 2
+  94.019 0.3239 3
+  95.033 0.4068 4
+  97.049 1.6987 17
+  99.064 1.7863 18
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+  105.072 0.8349 8
+  106.019 4.5162 45
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+  108.032 0.1859 2
+  112.071 0.2371 2
+  113.08 35.0591 350
+  114.081 3.7677 38
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+  165.072 3.0917 31
+  166.077 0.7503 7
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+  167.088 0.9359 9
+  168.039 0.2406 2
+  169.048 0.3963 4
+  171.064 0.1861 2
+  175.099 3.683 37
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+  177.021 0.263 3
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+  179.034 0.8295 8
+  180.041 3.6741 37
+  181.049 30.2777 302
+  181.317 0.4525 5
+  181.64 0.1274 1
+  182.052 6.2965 63
+  183.064 100 999
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+  183.733 0.3277 3
+  184.067 17.4799 175
+  184.682 0.2027 2
+  185.064 4.3123 43
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+  193.051 6.4665 65
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+  195.064 19.7144 197
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+  195.336 0.1354 1
+  196.071 15.3206 153
+  197.079 26.3653 263
+  198.081 4.9492 49
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+  215.036 12.3073 123
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+  229.052 41.6401 416
+  229.8 0.1373 1
+  230.057 23.6119 236
+  231.057 6.8715 69
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+  233.059 0.4235 4
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+  288.079 0.1881 2
+  295.133 0.5255 5
+  303.106 8.5535 85
+  304.108 2.361 24
+  305.104 1.234 12
+  306.106 0.2473 2
+  310.157 1.3273 13
+  311.158 0.4105 4
+  343.138 8.9392 89
+  344.139 2.8064 28
+  345.136 1.3036 13
+  346.135 0.3139 3
+  357.151 0.3501 3
+  358.161 6.4229 64
+  358.314 0.1311 1
+  359.163 2.0468 20
+  360.159 0.964 10
+  361.16 0.258 3
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ04028.txt b/MSSJ/MSBNK-MSSJ-MSJ04028.txt
new file mode 100644
index 00000000000..2554564712d
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ04028.txt
@@ -0,0 +1,234 @@
+ACCESSION: MSBNK-MSSJ-MSJ04028
+RECORD_TITLE: (((4-Phenoxybutyl)thio)methyl)diphenylsilane; GC-EI-TOF; MS; POSITIVE; 70 V
+DATE: 2023.12.04
+AUTHORS: Eiyu Imai, Molecular Structure Characterization Unit, RIKEN, Japan
+LICENSE: CC BY
+COPYRIGHT: Eiyu Imai, Molecular Structure Characterization Unit, RIKEN, Japan
+PUBLICATION: Yong Luo, Huai-Long Teng, Can Xue, Masayoshi Nishiura, and Zhaomin Hou; ACS Catal. 2018, 8, 8027−8032. DOI: 10.1021/acscatal.8b02405
+COMMENT: Original ID of the mass spectral data is A_170628_luo4MB/145-3_ei.xlsx
+COMMENT: JMS-T100GCV (JEOL, Akishima, Japan) is a reflectron time-of-flight (reTOF) mass spectrometer. Temperature of the ion-source and GC-transfer line were 200 C and 250 C, respectively. Resolving power (FWHM, nominal) was 7000.
+COMMENT: EI voltage was 70 V. Typical accuracy level expected was 5 ppm. The m/z value was adjusted with 378.1474.
+CH$NAME: (((4-Phenoxybutyl)thio)methyl)diphenylsilane
+CH$COMPOUND_CLASS: Non-natural compound
+CH$FORMULA: C23H26OSSi
+CH$EXACT_MASS: 378.147363
+CH$SMILES: c1cccc(c1)[SiH](CSCCCCOc1ccccc1)c1ccccc1
+CH$IUPAC: InChI=1S/C23H26OSSi/c1-4-12-21(13-5-1)24-18-10-11-19-25-20-26(22-14-6-2-7-15-22)23-16-8-3-9-17-23/h1-9,12-17,26H,10-11,18-20H2
+CH$LINK: INCHIKEY BCOWBZFFNHRZNF-UHFFFAOYSA-N
+AC$INSTRUMENT: JMS-T100GCV (JEOL, Akishima, Japan) coupled to Agilent 7890A (Santa Clara, CA, USA) gas chromatograph.
+AC$INSTRUMENT_TYPE: GC-EI-TOF
+AC$MASS_SPECTROMETRY: MS_TYPE MS
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION EI
+AC$CHROMATOGRAPHY: CARRIER_GAS He, flow rate 1.5 ml/min
+AC$CHROMATOGRAPHY: COLUMN_NAME HP-5 19091J-413 USD364547H (Agilent, Wilmington, USA) with the length 30.0 m, I.D. 0.32 mm, and thickness 0.25 micrometer.
+AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE Initial oven temperature at 70 C for 4 min and ramped at the rate of 30 C/min to 320 C and held at the final temperature for 11.67 min.
+AC$CHROMATOGRAPHY: INJECTION_TEMPERATURE 250 C
+AC$CHROMATOGRAPHY: RETENTION_TIME 13.40 min
+PK$SPLASH: splash10-001r-4920000000-a6e38efc7a333619e502
+PK$NUM_PEAK: 203
+PK$PEAK: m/z int. rel.int.
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+  193.049 1.4866 15
+  194.054 0.6456 6
+  195.065 15.1204 151
+  196.071 11.1282 111
+  197.079 33.7355 337
+  197.754 0.1565 2
+  198.081 6.2722 63
+  198.711 0.1223 1
+  199.062 4.1881 42
+  199.172 0.148 1
+  200.062 0.7377 7
+  201.06 0.2525 3
+  205.054 0.4002 4
+  207.055 0.6806 7
+  209.046 0.3826 4
+  211.059 1.9221 19
+  212.062 0.5887 6
+  213.022 0.3917 4
+  213.073 0.6373 6
+  214.028 0.3015 3
+  215.036 2.144 21
+  216.038 0.4515 5
+  217.033 0.1933 2
+  227.037 0.6489 6
+  228.041 0.2162 2
+  229.052 7.9946 80
+  229.173 0.1446 1
+  230.056 2.0458 20
+  231.048 0.8554 9
+  232.055 0.1741 2
+  241.053 0.2233 2
+  243.035 0.2549 3
+  257.081 0.3229 3
+  271.098 0.231 2
+  275.09 8.2461 82
+  275.229 0.1433 1
+  276.095 2.7837 28
+  277.094 0.6813 7
+  285.114 64.5951 645
+  285.857 0.2075 2
+  285.955 0.2229 2
+  286.117 15.3686 154
+  287.112 6.7052 67
+  288.114 1.2352 12
+  289.108 0.4488 4
+  290.115 0.5918 6
+  301.11 0.313 3
+  322.086 0.5165 5
+  330.146 0.3134 3
+  331.148 0.2263 2
+  363.124 2.2395 22
+  364.127 0.6703 7
+  365.122 0.3031 3
+  378.147 8.0602 81
+  379.15 2.4948 25
+  380.146 0.9544 10
+  381.146 0.2172 2
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ04029.txt b/MSSJ/MSBNK-MSSJ-MSJ04029.txt
new file mode 100644
index 00000000000..59255d0b50e
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ04029.txt
@@ -0,0 +1,152 @@
+ACCESSION: MSBNK-MSSJ-MSJ04029
+RECORD_TITLE: ((tert-Butylthio)methyl)diphenylsilane; GC-EI-TOF; MS; POSITIVE; 70 V
+DATE: 2023.12.04
+AUTHORS: Eiyu Imai, Molecular Structure Characterization Unit, RIKEN, Japan
+LICENSE: CC BY
+COPYRIGHT: Eiyu Imai, Molecular Structure Characterization Unit, RIKEN, Japan
+PUBLICATION: Yong Luo, Huai-Long Teng, Can Xue, Masayoshi Nishiura, and Zhaomin Hou; ACS Catal. 2018, 8, 8027−8032. DOI: 10.1021/acscatal.8b02405
+COMMENT: Original ID of the mass spectral data is A_170628_luo4MB/146-4_ei.xlsx
+COMMENT: JMS-T100GCV (JEOL, Akishima, Japan) is a reflectron time-of-flight (reTOF) mass spectrometer. Temperature of the ion-source and GC-transfer line were 200 C and 250 C, respectively. Resolving power (FWHM, nominal) was 7000.
+COMMENT: EI voltage was 70 V. Typical accuracy level expected was 5 ppm. The m/z value was adjusted with 286.1212.
+CH$NAME: ((tert-Butylthio)methyl)diphenylsilane
+CH$COMPOUND_CLASS: Non-natural compound
+CH$FORMULA: C17H22SSi
+CH$EXACT_MASS: 286.121148
+CH$SMILES: CC(C)(C)SC[SiH](c1ccccc1)c1ccccc1
+CH$IUPAC: InChI=1S/C17H22SSi/c1-17(2,3)18-14-19(15-10-6-4-7-11-15)16-12-8-5-9-13-16/h4-13,19H,14H2,1-3H3
+CH$LINK: INCHIKEY ZOMZNTVFADPPJE-UHFFFAOYSA-N
+AC$INSTRUMENT: JMS-T100GCV (JEOL, Akishima, Japan) coupled to Agilent 7890A (Santa Clara, CA, USA) gas chromatograph.
+AC$INSTRUMENT_TYPE: GC-EI-TOF
+AC$MASS_SPECTROMETRY: MS_TYPE MS
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION EI
+AC$CHROMATOGRAPHY: CARRIER_GAS He, flow rate 1.5 ml/min
+AC$CHROMATOGRAPHY: COLUMN_NAME HP-5 19091J-413 USD364547H (Agilent, Wilmington, USA) with the length 30.0 m, I.D. 0.32 mm, and thickness 0.25 micrometer.
+AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE Initial oven temperature at 70 C for 4 min and ramped at the rate of 30 C/min to 320 C and held at the final temperature for 1.67 min.
+AC$CHROMATOGRAPHY: INJECTION_TEMPERATURE 250 C
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.53 min
+PK$SPLASH: splash10-001i-3910000000-e1e662ed0a200402feed
+PK$NUM_PEAK: 121
+PK$PEAK: m/z int. rel.int.
+  27.024 1.2159 12
+  28.006 4.1373 41
+  28.031 0.3789 4
+  29.039 8.5478 85
+  31.99 1.7785 18
+  39.024 2.6769 27
+  40.03 0.3303 3
+  41.04 12.2238 122
+  41.067 0.1438 1
+  41.092 0.1581 2
+  42.045 0.8219 8
+  43.001 0.3851 4
+  44.98 0.3666 4
+  45.989 0.2903 3
+  50.016 0.3213 3
+  51.024 1.2057 12
+  52.032 0.3386 3
+  52.985 5.2364 52
+  53.04 0.3569 4
+  53.989 0.5476 5
+  55.001 0.7935 8
+  55.055 1.0797 11
+  56.063 0.6708 7
+  57.071 33.8005 338
+  58.074 1.5494 15
+  58.997 0.582 6
+  60.957 0.3153 3
+  63.024 0.3104 3
+  65.04 1.558 16
+  65.993 0.398 4
+  67.001 0.7859 8
+  70.079 0.2644 3
+  74.973 0.8425 8
+  76.985 0.5702 6
+  77.04 3.1757 32
+  77.993 0.4237 4
+  78.047 1.0564 11
+  79.001 4.381 44
+  79.055 0.4641 5
+  80.004 0.5716 6
+  81.016 0.638 6
+  89.04 0.7314 7
+  90.047 0.5016 5
+  91.055 16.3997 164
+  92.06 1.6717 17
+  93.017 1.7586 18
+  93.068 0.2404 2
+  103.001 2.8739 29
+  103.058 0.212 2
+  104.006 0.7263 7
+  105.017 31.6203 316
+  106.019 3.9052 39
+  107.022 1.333 13
+  115.056 0.429 4
+  117.017 0.6384 6
+  118.023 0.2792 3
+  119.033 1.7755 18
+  119.087 0.3974 4
+  120.035 0.3373 3
+  121.045 0.1725 2
+  128.064 0.2899 3
+  129.017 1.2944 13
+  130.026 1.2278 12
+  131.032 1.1284 11
+  132.031 0.2131 2
+  136.989 5.2734 53
+  137.994 1.4294 14
+  139.003 1.5981 16
+  140.002 0.2277 2
+  141.005 0.1392 1
+  143.033 0.2646 3
+  148.989 0.2635 3
+  149.997 0.4071 4
+  151.004 9.6682 97
+  152.012 34.4939 345
+  153.015 6.6289 66
+  154.01 3.077 31
+  154.078 0.3135 3
+  155.032 3.2874 33
+  156.034 0.5636 6
+  157.046 0.5189 5
+  165.071 1.8802 19
+  166.076 0.4928 5
+  167.032 0.4073 4
+  167.087 0.5155 5
+  179.033 0.7669 8
+  180.041 3.6877 37
+  180.171 0.1576 2
+  181.048 19.4576 194
+  181.315 0.3243 3
+  182.052 4.4563 45
+  183.064 100 999
+  183.735 0.3054 3
+  184.066 18.6601 186
+  184.689 0.224 2
+  185.063 4.7258 47
+  185.68 0.1347 1
+  185.74 0.1484 1
+  186.066 0.5596 6
+  193.049 0.813 8
+  194.056 0.3923 4
+  195.064 9.1921 92
+  196.071 9.1333 91
+  197.075 2.9647 30
+  198.075 0.6208 6
+  208.073 0.4928 5
+  213.021 0.2653 3
+  215.036 12.7397 127
+  216.038 2.2712 23
+  217.034 1.1904 12
+  227.036 0.8291 8
+  228.041 0.3608 4
+  229.051 3.6695 37
+  230.059 21.3199 213
+  231.061 4.5984 46
+  232.057 2.0235 20
+  233.058 0.3463 3
+  271.097 0.2607 3
+  286.121 8.5568 85
+  287.123 2.2315 22
+  288.12 0.8807 9
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ04030.txt b/MSSJ/MSBNK-MSSJ-MSJ04030.txt
new file mode 100644
index 00000000000..981d86e32bb
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ04030.txt
@@ -0,0 +1,239 @@
+ACCESSION: MSBNK-MSSJ-MSJ04030
+RECORD_TITLE: ((((3R,8R,9S,10S,13R,14S,17R)-10,13-Dimethyl-17-((R)-6-methylheptan-2-yl)hexadecahydro-1H-cyclopenta[a]phenanthren-3-yl)thio)methyl)diphenylsilane; GC-EI-TOF; MS; POSITIVE; 70 V
+DATE: 2023.12.04
+AUTHORS: Eiyu Imai, Molecular Structure Characterization Unit, RIKEN, Japan
+LICENSE: CC BY
+COPYRIGHT: Eiyu Imai, Molecular Structure Characterization Unit, RIKEN, Japan
+PUBLICATION: Yong Luo, Huai-Long Teng, Can Xue, Masayoshi Nishiura, and Zhaomin Hou; ACS Catal. 2018, 8, 8027−8032. DOI: 10.1021/acscatal.8b02405
+COMMENT: Original ID of the mass spectral data is A_170628_luo4MB/148-1_ei.xlsx
+COMMENT: JMS-T100GCV (JEOL, Akishima, Japan) is a reflectron time-of-flight (reTOF) mass spectrometer. Temperature of the ion-source and GC-transfer line were 200 C and 250 C, respectively. Resolving power (FWHM, nominal) was 7000.
+COMMENT: EI voltage was 70 V. Typical accuracy level expected was 5 ppm. The m/z value was adjusted with 600.4185.
+CH$NAME: ((((3R,8R,9S,10S,13R,14S,17R)-10,13-Dimethyl-17-((R)-6-methylheptan-2-yl)hexadecahydro-1H-cyclopenta[a]phenanthren-3-yl)thio)methyl)diphenylsilane
+CH$COMPOUND_CLASS: Non-natural compound
+CH$FORMULA: C40H60SSi
+CH$EXACT_MASS: 600.418498
+CH$SMILES: C[C@]12CC[C@H]3[C@@H](CCC4C[C@H](SC[SiH](c5ccccc5)c5ccccc5)CC[C@]34C)[C@@H]1CC[C@@H]2[C@H](C)CCCC(C)C
+CH$IUPAC: InChI=1S/C40H60SSi/c1-29(2)13-12-14-30(3)36-21-22-37-35-20-19-31-27-32(23-25-39(31,4)38(35)24-26-40(36,37)5)41-28-42(33-15-8-6-9-16-33)34-17-10-7-11-18-34/h6-11,15-18,29-32,35-38,42H,12-14,19-28H2,1-5H3/t30-,31?,32-,35+,36-,37+,38+,39+,40-/m1/s1
+CH$LINK: INCHIKEY PUMMWCORURFHSQ-COPFLUTRSA-N
+AC$INSTRUMENT: JMS-T100GCV (JEOL, Akishima, Japan) coupled to Agilent 7890A (Santa Clara, CA, USA) gas chromatograph.
+AC$INSTRUMENT_TYPE: GC-EI-TOF
+AC$MASS_SPECTROMETRY: MS_TYPE MS
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION EI
+AC$CHROMATOGRAPHY: CARRIER_GAS He, flow rate 1.5 ml/min
+AC$CHROMATOGRAPHY: COLUMN_NAME HP-5 19091J-413 USD364547H (Agilent, Wilmington, USA) with the length 30.0 m, I.D. 0.32 mm, and thickness 0.25 micrometer.
+AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE Initial oven temperature at 70 C for 4 min and ramped at the rate of 30 C/min to 320 C and held at the final temperature for 37.67 min.
+AC$CHROMATOGRAPHY: INJECTION_TEMPERATURE 250 C
+AC$CHROMATOGRAPHY: RETENTION_TIME 41.38 min
+PK$SPLASH: splash10-003r-8952000000-370ffdb95a7e9918a04a
+PK$NUM_PEAK: 208
+PK$PEAK: m/z int. rel.int.
+  28.006 34.6201 346
+  28.055 0.5523 6
+  29.039 1.665 17
+  31.99 13.8486 138
+  39.024 0.7332 7
+  39.962 1.0699 11
+  41.04 5.6186 56
+  42.047 0.9073 9
+  43.055 16.2334 162
+  43.991 0.9319 9
+  44.06 0.649 6
+  53.041 0.75 7
+  55.056 16.2478 162
+  56.063 2.7576 28
+  57.071 19.029 190
+  58.074 1.0069 10
+  65.04 0.649 6
+  67.056 11.1261 111
+  68.063 2.049 20
+  69.072 15.1273 151
+  70.078 1.8151 18
+  71.087 9.8286 98
+  73.049 0.9627 10
+  77.04 1.9013 19
+  78.048 1.7646 18
+  79.002 0.7832 8
+  79.056 7.8595 79
+  80.062 1.6732 17
+  81.072 19.9166 199
+  81.14 0.4171 4
+  82.077 2.3092 23
+  83.088 13.5292 135
+  83.152 0.3704 4
+  84.091 1.1031 11
+  85.103 1.5159 15
+  91.056 11.5288 115
+  92.062 1.9547 20
+  93.018 0.9381 9
+  93.072 12.7041 127
+  94.079 4.1037 41
+  95.088 26.3199 263
+  95.165 0.3945 4
+  96.007 0.4873 5
+  96.092 2.2068 22
+  97.103 5.6105 56
+  98.109 0.5634 6
+  103.004 0.4893 5
+  104.063 0.7842 8
+  105.018 9.3201 93
+  105.072 6.1935 62
+  106.021 1.2301 12
+  106.079 3.2603 33
+  107.038 0.3849 4
+  107.088 14.233 142
+  108.095 12.0383 120
+  109.103 16.2497 162
+  109.197 0.3377 3
+  110.107 1.7362 17
+  111.119 2.4141 24
+  115.103 0.6495 6
+  117.073 1.2239 12
+  118.079 0.7414 7
+  119.033 1.6862 17
+  119.088 4.3029 43
+  120.042 0.623 6
+  120.095 2.2534 23
+  121.104 8.3382 83
+  122.11 2.9298 29
+  123.119 5.2107 52
+  124.125 0.6894 7
+  125.135 0.8852 9
+  131.087 1.5217 15
+  132.094 0.7592 8
+  133.022 0.4816 5
+  133.104 4.8893 49
+  134.111 3.4518 34
+  135.119 8.5547 85
+  136.125 1.6578 17
+  136.99 1.6617 17
+  137.135 1.6088 16
+  139.005 0.7976 8
+  143.086 0.3608 4
+  145.104 2.6431 26
+  146.11 0.9473 9
+  147.119 7.0802 71
+  148.126 2.0668 21
+  149.135 6.1854 62
+  150.14 0.8866 9
+  151.006 3.7063 37
+  151.15 0.9973 10
+  152.014 29.7996 298
+  153.018 6.0766 61
+  154.011 2.7966 28
+  154.078 0.394 4
+  155.031 0.8977 9
+  156.013 0.3834 4
+  159.12 1.8387 18
+  160.126 1.1257 11
+  161.135 5.2771 53
+  162.141 2.3516 23
+  163.151 3.4508 34
+  164.156 0.5662 6
+  165.073 0.7895 8
+  165.165 0.6884 7
+  173.136 1.5626 16
+  174.142 0.853 9
+  175.151 2.7619 28
+  176.156 1.2778 13
+  177.167 1.2018 12
+  180.041 0.9213 9
+  181.05 6.4432 64
+  182.054 1.6068 16
+  183.066 51.2922 512
+  183.252 0.4392 4
+  184.069 9.0781 91
+  185.066 2.443 24
+  185.135 0.3926 4
+  187.152 1.1936 12
+  188.158 0.8304 8
+  189.166 1.552 16
+  190.17 0.4392 4
+  191.005 0.7009 7
+  191.182 0.5787 6
+  193 0.331 3
+  193.052 0.4777 5
+  193.198 0.9338 9
+  195.066 3.9824 40
+  196.073 3.7679 38
+  197.08 5.7023 57
+  198.084 1.2249 12
+  199.077 0.4566 5
+  201.168 2.6859 27
+  202.175 1.0007 10
+  203.183 2.3232 23
+  204.189 0.5138 5
+  205.199 0.5051 5
+  206.204 0.4623 5
+  207.035 3.8487 38
+  207.213 0.5013 5
+  208.036 0.6196 6
+  215.038 8.5047 85
+  215.182 8.0087 80
+  216.041 1.4433 14
+  216.189 4.8066 48
+  217.035 0.9867 10
+  217.197 3.7996 38
+  218.205 1.0088 10
+  219.214 0.6264 6
+  227.04 0.7582 8
+  228.043 0.4638 5
+  229.053 41.5381 415
+  229.195 1.705 17
+  229.266 0.433 4
+  230.059 21.471 214
+  230.205 2.6354 26
+  231.068 29.4311 294
+  231.211 2.0793 21
+  232.069 6.1295 61
+  232.221 0.4671 5
+  233.065 2.6494 26
+  234.072 0.5066 5
+  241.198 0.4508 5
+  243.214 0.6245 6
+  244.22 0.5196 5
+  245.23 0.6187 6
+  247.245 1.2359 12
+  253.017 0.6119 6
+  255.214 0.4243 4
+  256.221 0.5965 6
+  257.229 7.2365 72
+  258.235 1.6804 17
+  259.246 0.5537 6
+  260.252 1.3317 13
+  261.26 1.0252 10
+  262.267 0.6442 6
+  274.267 1.3148 13
+  275.278 0.8866 9
+  281.054 1.6819 17
+  282.051 0.5836 6
+  285.261 0.7505 7
+  287.273 0.7043 7
+  288.282 0.8679 9
+  289.294 0.457 5
+  301.293 0.8275 8
+  302.299 0.6105 6
+  313.293 0.648 6
+  314.3 0.8785 9
+  315.304 0.712 7
+  316.316 1.5169 15
+  327.309 0.4623 5
+  328.318 0.9006 9
+  329.323 1.2325 12
+  355.34 15.0768 151
+  356.343 4.2398 42
+  357.35 0.9631 10
+  368.343 0.6067 6
+  369.354 1.8541 19
+  370.363 50.6678 506
+  371.367 15.5478 155
+  372.371 3.0597 31
+  507.357 0.4003 4
+  522.37 0.6576 7
+  552.413 3.422 34
+  553.42 1.6049 16
+  554.43 0.6168 6
+  600.419 3.0328 30
+  601.423 1.4943 15
+  602.427 0.6095 6
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ04031.txt b/MSSJ/MSBNK-MSSJ-MSJ04031.txt
new file mode 100644
index 00000000000..3211e172500
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ04031.txt
@@ -0,0 +1,191 @@
+ACCESSION: MSBNK-MSSJ-MSJ04031
+RECORD_TITLE: ((((4-((Methylthio)methyl)cyclohexyl)methyl)thio)methyl)diphenylsilane; GC-EI-TOF; MS; POSITIVE; 70 V
+DATE: 2023.12.04
+AUTHORS: Eiyu Imai, Molecular Structure Characterization Unit, RIKEN, Japan
+LICENSE: CC BY
+COPYRIGHT: Eiyu Imai, Molecular Structure Characterization Unit, RIKEN, Japan
+PUBLICATION: Yong Luo, Huai-Long Teng, Can Xue, Masayoshi Nishiura, and Zhaomin Hou; ACS Catal. 2018, 8, 8027−8032. DOI: 10.1021/acscatal.8b02405
+COMMENT: Original ID of the mass spectral data is A_170628_luo4MB/164-1_i1_ei.xlsx
+COMMENT: JMS-T100GCV (JEOL, Akishima, Japan) is a reflectron time-of-flight (reTOF) mass spectrometer. Temperature of the ion-source and GC-transfer line were 200 C and 250 C, respectively. Resolving power (FWHM, nominal) was 7000.
+COMMENT: EI voltage was 70 V. Typical accuracy level expected was 5 ppm. The m/z value was adjusted with 386.1558.
+CH$NAME: ((((4-((Methylthio)methyl)cyclohexyl)methyl)thio)methyl)diphenylsilane
+CH$COMPOUND_CLASS: Non-natural compound
+CH$FORMULA: C22H30S2Si
+CH$EXACT_MASS: 386.155819
+CH$SMILES: CSCC1CCC(CSC[SiH](c2ccccc2)c2ccccc2)CC1
+CH$IUPAC: InChI=1S/C22H30S2Si/c1-23-16-19-12-14-20(15-13-19)17-24-18-25(21-8-4-2-5-9-21)22-10-6-3-7-11-22/h2-11,19-20,25H,12-18H2,1H3
+CH$LINK: INCHIKEY KOWPAXFDRZSRRJ-UHFFFAOYSA-N
+AC$INSTRUMENT: JMS-T100GCV (JEOL, Akishima, Japan) coupled to Agilent 7890A (Santa Clara, CA, USA) gas chromatograph.
+AC$INSTRUMENT_TYPE: GC-EI-TOF
+AC$MASS_SPECTROMETRY: MS_TYPE MS
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION EI
+AC$CHROMATOGRAPHY: CARRIER_GAS He, flow rate 1.5 ml/min
+AC$CHROMATOGRAPHY: COLUMN_NAME HP-5 19091J-413 USD364547H (Agilent, Wilmington, USA) with the length 30.0 m, I.D. 0.32 mm, and thickness 0.25 micrometer.
+AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE Initial oven temperature at 70 C for 4 min and ramped at the rate of 30 C/min to 320 C and held at the final temperature for 7.67 min.
+AC$CHROMATOGRAPHY: INJECTION_TEMPERATURE 250 C
+AC$CHROMATOGRAPHY: RETENTION_TIME 13.74 min
+PK$SPLASH: splash10-0560-6911000000-4b455cc1caea2fd312ea
+PK$NUM_PEAK: 160
+PK$PEAK: m/z int. rel.int.
+  27.024 1.5822 16
+  28.006 34.5656 345
+  28.036 0.6635 7
+  28.053 0.7414 7
+  28.424 0.424 4
+  29.004 0.5034 5
+  29.04 2.1505 21
+  31.99 13.4065 134
+  32.015 0.4053 4
+  34.997 1.2995 13
+  39.024 1.7842 18
+  39.962 0.9779 10
+  41.04 7.2751 73
+  42.045 0.6375 6
+  43.055 2.0943 21
+  43.99 1.0428 10
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+  115.057 0.8986 9
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+  120.04 0.4918 5
+  131.037 0.6476 6
+  133.011 0.6216 6
+  135.065 0.5351 5
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+  137.047 0.3606 4
+  139.001 0.4918 5
+  141.075 18.8297 188
+  141.194 0.3909 4
+  142.078 1.8188 18
+  143.069 0.8495 8
+  150.002 0.5091 5
+  151.006 3.9419 39
+  152.013 22.8971 229
+  153.017 4.7539 47
+  154.012 2.0597 21
+  155.033 2.1159 21
+  155.089 1.1726 12
+  156.098 5.227 52
+  157.05 0.4688 5
+  157.105 1.8231 18
+  164.21 0.4601 5
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+  167.092 0.6765 7
+  173.05 0.4327 4
+  180.041 2.3452 23
+  181.049 16.3705 164
+  181.307 0.4183 4
+  182.052 3.727 37
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+  183.326 0.476 5
+  183.563 0.424 4
+  184.067 10.6228 106
+  184.226 0.3952 4
+  185.063 2.7678 28
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+  293.088 0.4168 4
+  306.63 0.3966 4
+  321.486 0.3591 4
+  323.128 4.7842 48
+  324.13 1.4654 15
+  325.141 2.0438 20
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+  339.161 5.5645 56
+  340.159 1.8347 18
+  341.156 0.6087 6
+  371.133 6.4631 65
+  372.136 2.0986 21
+  373.128 1.1034 11
+  386.156 5.3251 53
+  387.158 1.7193 17
+  388.158 0.8539 9
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ04032.txt b/MSSJ/MSBNK-MSSJ-MSJ04032.txt
new file mode 100644
index 00000000000..69909b9d993
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ04032.txt
@@ -0,0 +1,244 @@
+ACCESSION: MSBNK-MSSJ-MSJ04032
+RECORD_TITLE: ((((4-((Methylthio)methyl)cyclohexyl)methyl)thio)methyl)diphenylsilane; GC-EI-TOF; MS; POSITIVE; 70 V
+DATE: 2023.12.04
+AUTHORS: Eiyu Imai, Molecular Structure Characterization Unit, RIKEN, Japan
+LICENSE: CC BY
+COPYRIGHT: Eiyu Imai, Molecular Structure Characterization Unit, RIKEN, Japan
+PUBLICATION: Yong Luo, Huai-Long Teng, Can Xue, Masayoshi Nishiura, and Zhaomin Hou; ACS Catal. 2018, 8, 8027−8032. DOI: 10.1021/acscatal.8b02405
+COMMENT: Original ID of the mass spectral data is A_170628_luo4MB/164-1_i2_ei.xlsx
+COMMENT: JMS-T100GCV (JEOL, Akishima, Japan) is a reflectron time-of-flight (reTOF) mass spectrometer. Temperature of the ion-source and GC-transfer line were 200 C and 250 C, respectively. Resolving power (FWHM, nominal) was 7000.
+COMMENT: EI voltage was 70 V. Typical accuracy level expected was 5 ppm. The m/z value was adjusted with 386.1558.
+CH$NAME: ((((4-((Methylthio)methyl)cyclohexyl)methyl)thio)methyl)diphenylsilane
+CH$COMPOUND_CLASS: Non-natural compound
+CH$FORMULA: C22H30S2Si
+CH$EXACT_MASS: 386.155819
+CH$SMILES: CSCC1CCC(CSC[SiH](c2ccccc2)c2ccccc2)CC1
+CH$IUPAC: InChI=1S/C22H30S2Si/c1-23-16-19-12-14-20(15-13-19)17-24-18-25(21-8-4-2-5-9-21)22-10-6-3-7-11-22/h2-11,19-20,25H,12-18H2,1H3
+CH$LINK: INCHIKEY KOWPAXFDRZSRRJ-UHFFFAOYSA-N
+AC$INSTRUMENT: JMS-T100GCV (JEOL, Akishima, Japan) coupled to Agilent 7890A (Santa Clara, CA, USA) gas chromatograph.
+AC$INSTRUMENT_TYPE: GC-EI-TOF
+AC$MASS_SPECTROMETRY: MS_TYPE MS
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION EI
+AC$CHROMATOGRAPHY: CARRIER_GAS He, flow rate 1.5 ml/min
+AC$CHROMATOGRAPHY: COLUMN_NAME HP-5 19091J-413 USD364547H (Agilent, Wilmington, USA) with the length 30.0 m, I.D. 0.32 mm, and thickness 0.25 micrometer.
+AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE Initial oven temperature at 70 C for 4 min and ramped at the rate of 30 C/min to 320 C and held at the final temperature for 11.67 min.
+AC$CHROMATOGRAPHY: INJECTION_TEMPERATURE 250 C
+AC$CHROMATOGRAPHY: RETENTION_TIME 13.78 min
+PK$SPLASH: splash10-0560-5910000000-0022e965ec699983e606
+PK$NUM_PEAK: 213
+PK$PEAK: m/z int. rel.int.
+  20.006 0.3268 3
+  27.024 1.7236 17
+  28.006 31.888 319
+  28.031 0.6682 7
+  29.039 3.1276 31
+  31.99 12.4196 124
+  34.996 1.3192 13
+  39.024 2.7849 28
+  39.963 0.9042 9
+  40.032 0.4508 5
+  41.04 11.2151 112
+  42.044 0.712 7
+  42.743 0.2678 3
+  43 0.5907 6
+  43.055 2.9069 29
+  43.113 0.36 4
+  43.991 0.8598 9
+  44.981 1.9562 20
+  45.987 0.8167 8
+  46.996 2.23 22
+  48.006 0.4892 5
+  49.011 0.4627 5
+  51.024 1.062 11
+  52.032 0.5283 5
+  52.985 3.4147 34
+  53.04 3.7965 38
+  53.991 0.4249 4
+  54.048 2.8134 28
+  55.056 13.4425 134
+  55.105 0.3136 3
+  56.06 0.8273 8
+  58.996 0.7451 7
+  60.004 0.594 6
+  61.012 35.0547 350
+  61.077 0.5761 6
+  61.124 0.3533 4
+  62.016 1.3709 14
+  63.008 1.8091 18
+  65.04 2.8651 29
+  66.047 1.3702 14
+  67.003 0.7338 7
+  67.056 23.2449 232
+  67.101 0.5323 5
+  68.061 2.3381 23
+  69.071 1.644 16
+  70.993 0.3381 3
+  71.633 0.293 3
+  73.013 0.8856 9
+  73.048 1.3232 13
+  74.019 1.1541 12
+  74.975 0.8704 9
+  75.027 1.2556 13
+  76.987 0.4163 4
+  77.04 4.6874 47
+  78.047 2.5602 26
+  79.001 3.1608 32
+  79.056 15.6361 156
+  80.007 0.3977 4
+  80.063 4.7696 48
+  81.016 0.5264 5
+  81.072 6.9778 70
+  82.077 0.653 7
+  83.088 0.4514 5
+  84.962 0.3779 4
+  85.013 1.1966 12
+  87.027 1.8336 18
+  89.04 0.7358 7
+  90.047 0.6351 6
+  91.056 29.8601 298
+  91.181 0.2957 3
+  92.06 2.9354 29
+  93.017 2.3951 24
+  93.071 12.1187 121
+  94.078 3.9642 40
+  95.087 8.9871 90
+  96.003 0.3944 4
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+  99.026 0.7305 7
+  101.043 0.58 6
+  102.051 1.0375 10
+  103.001 2.0259 20
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+  104.063 0.4395 4
+  105.017 32.995 330
+  105.072 2.403 24
+  106.019 4.0557 41
+  106.078 0.6086 6
+  107.024 1.3676 14
+  107.087 9.9967 100
+  108.095 50.2585 502
+  108.583 0.354 4
+  108.946 0.2778 3
+  109.102 13.7753 138
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+  113.044 0.3964 4
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+  141.075 23.7355 237
+  142.079 2.4833 25
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+  149.996 0.5476 5
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+  151.056 0.3109 3
+  152.013 31.3928 314
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+  153.017 7.7912 78
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+  156.034 0.5462 5
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+  156.184 0.4044 4
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+  157.047 0.82 8
+  157.102 2.4945 25
+  158.094 0.9049 9
+  165.021 1.8064 18
+  165.073 2.6994 27
+  166.076 0.7491 7
+  167.033 0.9798 10
+  167.087 1.0786 11
+  169.05 0.5118 5
+  179.033 0.7358 7
+  180.041 3.463 35
+  181.049 27.0454 270
+  181.329 0.4461 4
+  182.052 5.8966 59
+  183.065 100 999
+  183.676 0.4229 4
+  183.753 0.3719 4
+  184.067 17.8866 179
+  184.284 0.4687 5
+  184.637 0.3798 4
+  184.706 0.295 3
+  184.793 0.2797 3
+  185.064 4.4952 45
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+  186.065 0.5668 6
+  191.002 0.5966 6
+  193.048 1.4047 14
+  194.053 0.6702 7
+  195.064 13.4843 135
+  195.197 0.462 5
+  196.071 9.5366 95
+  196.173 0.5224 5
+  197.079 20.9678 209
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+  199.082 1.1435 11
+  203.091 0.6874 7
+  207.035 3.3623 34
+  208.037 0.767 8
+  209.031 0.5542 6
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+  215.036 9.7985 98
+  215.134 0.3348 3
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+  227.036 0.9997 10
+  229.052 34.7179 347
+  229.271 0.3235 3
+  230.057 11.7779 118
+  231.06 6.0245 60
+  232.058 1.4511 14
+  233.057 0.5038 5
+  244.077 0.3175 3
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+  261.114 12.586 126
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+  262.116 2.7358 27
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+  276.046 2.4322 24
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+  323.129 1.0805 11
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+  325.146 0.8154 8
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+  338.15 0.7623 8
+  339.16 8.4601 85
+  339.317 0.2731 3
+  340.163 2.4846 25
+  341.014 0.3262 3
+  341.16 0.9811 10
+  355.076 0.287 3
+  371.133 1.5658 16
+  372.137 0.5847 6
+  373.128 0.3991 4
+  385.144 0.405 4
+  386.156 10.1326 101
+  386.951 0.2592 3
+  387.158 3.2562 33
+  388.154 1.5618 16
+  389.153 0.5058 5
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ04033.txt b/MSSJ/MSBNK-MSSJ-MSJ04033.txt
new file mode 100644
index 00000000000..32e74d89317
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ04033.txt
@@ -0,0 +1,207 @@
+ACCESSION: MSBNK-MSSJ-MSJ04033
+RECORD_TITLE: (((((1R,4S)-Bicyclo[2.2.1]heptan-2-yl)methyl)thio)methyl)diphenylsilane; GC-EI-TOF; MS; POSITIVE; 70 V
+DATE: 2023.12.04
+AUTHORS: Eiyu Imai, Molecular Structure Characterization Unit, RIKEN, Japan
+LICENSE: CC BY
+COPYRIGHT: Eiyu Imai, Molecular Structure Characterization Unit, RIKEN, Japan
+PUBLICATION: Yong Luo, Huai-Long Teng, Can Xue, Masayoshi Nishiura, and Zhaomin Hou; ACS Catal. 2018, 8, 8027−8032. DOI: 10.1021/acscatal.8b02405
+COMMENT: Original ID of the mass spectral data is A_170628_luo4MB/164-2_i1_ei.xlsx
+COMMENT: JMS-T100GCV (JEOL, Akishima, Japan) is a reflectron time-of-flight (reTOF) mass spectrometer. Temperature of the ion-source and GC-transfer line were 200 C and 250 C, respectively. Resolving power (FWHM, nominal) was 7000.
+COMMENT: EI voltage was 70 V. Typical accuracy level expected was 5 ppm. The m/z value was adjusted with 338.1524.
+CH$NAME: (((((1R,4S)-Bicyclo[2.2.1]heptan-2-yl)methyl)thio)methyl)diphenylsilane
+CH$COMPOUND_CLASS: Non-natural compound
+CH$FORMULA: C21H26SSi
+CH$EXACT_MASS: 338.152448
+CH$SMILES: c1ccccc1[SiH](CSCC1C[C@@H]2C[C@H]1CC2)c1ccccc1
+CH$IUPAC: InChI=1S/C21H26SSi/c1-3-7-20(8-4-1)23(21-9-5-2-6-10-21)16-22-15-19-14-17-11-12-18(19)13-17/h1-10,17-19,23H,11-16H2/t17-,18+,19?/m0/s1
+CH$LINK: INCHIKEY FLJSIOKDAGCGNK-PAMZHZACSA-N
+AC$INSTRUMENT: JMS-T100GCV (JEOL, Akishima, Japan) coupled to Agilent 7890A (Santa Clara, CA, USA) gas chromatograph.
+AC$INSTRUMENT_TYPE: GC-EI-TOF
+AC$MASS_SPECTROMETRY: MS_TYPE MS
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION EI
+AC$CHROMATOGRAPHY: CARRIER_GAS He, flow rate 1.5 ml/min
+AC$CHROMATOGRAPHY: COLUMN_NAME HP-5 19091J-413 USD364547H (Agilent, Wilmington, USA) with the length 30.0 m, I.D. 0.32 mm, and thickness 0.25 micrometer.
+AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE Initial oven temperature at 70 C for 4 min and ramped at the rate of 30 C/min to 320 C and held at the final temperature for 7.67 min.
+AC$CHROMATOGRAPHY: INJECTION_TEMPERATURE 250 C
+AC$CHROMATOGRAPHY: RETENTION_TIME 12.34 min
+PK$SPLASH: splash10-001i-4920000000-fe3016b09eff12a96136
+PK$NUM_PEAK: 176
+PK$PEAK: m/z int. rel.int.
+  27.024 1.4921 15
+  28.006 5.5227 55
+  28.031 0.324 3
+  28.985 0.2632 3
+  29.039 2.3523 23
+  31.99 2.1758 22
+  39.024 3.5726 36
+  40.031 0.6313 6
+  41.04 12.7471 127
+  41.092 0.18 2
+  42.044 0.5386 5
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+  43.055 1.7706 18
+  44.981 0.8908 9
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+  51.024 1.1135 11
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+  53.04 3.4355 34
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+  65.04 3.6832 37
+  66.048 4.8353 48
+  67.001 0.7804 8
+  67.056 29.3864 294
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+  79.131 0.1438 1
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+  91.056 30.0555 300
+  92.06 2.7706 28
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+  93.071 3.3257 33
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+  105.017 36.482 364
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+  216.038 4.589 46
+  217.034 2.2215 22
+  218.036 0.3125 3
+  227.037 0.9833 10
+  228.041 0.3247 3
+  229.052 43.0172 430
+  230.057 22.7057 227
+  230.35 0.1505 2
+  231.056 6.7986 68
+  232.058 2.0952 21
+  233.061 0.4245 4
+  243.067 0.2599 3
+  245.083 1.1327 11
+  246.085 0.2406 2
+  247.096 0.6407 6
+  248.101 0.1553 2
+  260.106 0.3409 3
+  261.114 0.4044 4
+  262.119 0.5358 5
+  263.123 0.1395 1
+  289.141 0.2798 3
+  290.149 2.5304 25
+  291.153 0.8689 9
+  292.154 0.2393 2
+  323.129 4.244 42
+  324.132 1.1999 12
+  325.127 0.4847 5
+  337.143 0.481 5
+  338.152 8.476 85
+  339.155 2.403 24
+  340.152 0.9055 9
+  341.153 0.1845 2
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ04034.txt b/MSSJ/MSBNK-MSSJ-MSJ04034.txt
new file mode 100644
index 00000000000..e593d129b0a
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ04034.txt
@@ -0,0 +1,189 @@
+ACCESSION: MSBNK-MSSJ-MSJ04034
+RECORD_TITLE: (((((1R,4S)-Bicyclo[2.2.1]heptan-2-yl)methyl)thio)methyl)diphenylsilane; GC-EI-TOF; MS; POSITIVE; 70 V
+DATE: 2023.12.04
+AUTHORS: Eiyu Imai, Molecular Structure Characterization Unit, RIKEN, Japan
+LICENSE: CC BY
+COPYRIGHT: Eiyu Imai, Molecular Structure Characterization Unit, RIKEN, Japan
+PUBLICATION: Yong Luo, Huai-Long Teng, Can Xue, Masayoshi Nishiura, and Zhaomin Hou; ACS Catal. 2018, 8, 8027−8032. DOI: 10.1021/acscatal.8b02405
+COMMENT: Original ID of the mass spectral data is A_170628_luo4MB/164-2_i2_ei.xlsx
+COMMENT: JMS-T100GCV (JEOL, Akishima, Japan) is a reflectron time-of-flight (reTOF) mass spectrometer. Temperature of the ion-source and GC-transfer line were 200 C and 250 C, respectively. Resolving power (FWHM, nominal) was 7000.
+COMMENT: EI voltage was 70 V. Typical accuracy level expected was 5 ppm. The m/z value was adjusted with 338.1524.
+CH$NAME: (((((1R,4S)-Bicyclo[2.2.1]heptan-2-yl)methyl)thio)methyl)diphenylsilane
+CH$COMPOUND_CLASS: Non-natural compound
+CH$FORMULA: C21H26SSi
+CH$EXACT_MASS: 338.152448
+CH$SMILES: c1ccccc1[SiH](CSCC1C[C@@H]2C[C@H]1CC2)c1ccccc1
+CH$IUPAC: InChI=1S/C21H26SSi/c1-3-7-20(8-4-1)23(21-9-5-2-6-10-21)16-22-15-19-14-17-11-12-18(19)13-17/h1-10,17-19,23H,11-16H2/t17-,18+,19?/m0/s1
+CH$LINK: INCHIKEY FLJSIOKDAGCGNK-PAMZHZACSA-N
+AC$INSTRUMENT: JMS-T100GCV (JEOL, Akishima, Japan) coupled to Agilent 7890A (Santa Clara, CA, USA) gas chromatograph.
+AC$INSTRUMENT_TYPE: GC-EI-TOF
+AC$MASS_SPECTROMETRY: MS_TYPE MS
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION EI
+AC$CHROMATOGRAPHY: CARRIER_GAS He, flow rate 1.5 ml/min
+AC$CHROMATOGRAPHY: COLUMN_NAME HP-5 19091J-413 USD364547H (Agilent, Wilmington, USA) with the length 30.0 m, I.D. 0.32 mm, and thickness 0.25 micrometer.
+AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE Initial oven temperature at 70 C for 4 min and ramped at the rate of 30 C/min to 320 C and held at the final temperature for 7.67 min.
+AC$CHROMATOGRAPHY: INJECTION_TEMPERATURE 250 C
+AC$CHROMATOGRAPHY: RETENTION_TIME 12.37 min
+PK$SPLASH: splash10-001i-3920000000-6645ffeb8f0264ccdcb5
+PK$NUM_PEAK: 158
+PK$PEAK: m/z int. rel.int.
+  27.024 1.3781 14
+  28.006 1.9702 20
+  28.031 0.2307 2
+  29.039 2.1885 22
+  31.99 0.7299 7
+  39.024 3.4193 34
+  40.031 0.566 6
+  41.04 11.8874 119
+  41.093 0.1255 1
+  42.045 0.5114 5
+  43.001 0.4816 5
+  43.055 1.7496 17
+  44.98 0.8336 8
+  46.996 0.4441 4
+  51.024 1.0041 10
+  52.032 0.4032 4
+  52.985 3.8894 39
+  53.04 3.2434 32
+  53.988 0.3188 3
+  54.047 1.0595 11
+  55.001 0.5932 6
+  55.055 9.2483 92
+  56.059 0.3952 4
+  61.012 0.5652 6
+  65.04 3.5382 35
+  66.047 5.1873 52
+  67.001 0.7294 7
+  67.056 27.8263 278
+  68.061 2.1154 21
+  69.071 0.5166 5
+  73.012 0.341 3
+  74.973 0.64 6
+  76.986 0.3866 4
+  77.04 5.0436 50
+  78.047 1.8757 19
+  79.001 3.4711 35
+  79.056 9.6418 96
+  80.004 0.3968 4
+  80.063 4.4263 44
+  81.017 0.5377 5
+  81.071 4.2106 42
+  82.075 0.2921 3
+  85.012 0.3527 4
+  89.04 0.4848 5
+  90.048 0.434 4
+  91.056 24.3394 243
+  91.19 0.1382 1
+  92.06 2.2072 22
+  93.017 2.3125 23
+  93.071 3.1019 31
+  94.019 0.2666 3
+  94.078 0.7499 7
+  95.087 1.201 12
+  103.002 2.3922 24
+  104.007 0.6048 6
+  105.017 34.3858 344
+  105.072 0.9586 10
+  106.019 3.9546 40
+  106.078 0.2093 2
+  107.024 1.3298 13
+  107.087 2.1744 22
+  108.032 0.1532 2
+  108.094 3.7514 37
+  109.103 7.7668 78
+  110.106 0.6334 6
+  115.056 0.5003 5
+  117.018 0.6481 6
+  117.072 0.3028 3
+  118.024 0.4816 5
+  119.033 2.9875 30
+  120.038 0.6547 7
+  121.047 0.4845 5
+  122.11 0.2674 3
+  128.064 0.2755 3
+  129.017 1.0724 11
+  130.022 0.2478 2
+  131.033 1.1474 11
+  136.989 4.9532 49
+  137.995 1.5983 16
+  139.003 1.4145 14
+  140.002 0.2056 2
+  140.067 0.391 4
+  141.074 0.7246 7
+  143.033 0.2959 3
+  145.049 0.2304 2
+  148.989 0.2192 2
+  149.997 0.3594 4
+  151.005 6.5828 66
+  152.012 51.2047 512
+  152.556 0.1393 1
+  152.622 0.1478 1
+  153.015 8.7237 87
+  154.01 4.3547 44
+  154.08 0.4495 4
+  155.032 3.3338 33
+  155.09 9.9707 100
+  156.035 0.5527 6
+  156.094 1.0699 11
+  157.048 0.6652 7
+  157.087 0.472 5
+  165.02 1.1939 12
+  165.072 2.5356 25
+  166.024 0.2259 2
+  166.077 0.5966 6
+  167.032 0.5405 5
+  167.087 0.8531 9
+  169.049 0.3972 4
+  179.034 0.8275 8
+  180.041 3.8106 38
+  181.049 28.0306 280
+  181.317 0.4185 4
+  182.052 6.0567 61
+  183.064 100 999
+  183.548 0.2155 2
+  183.735 0.312 3
+  184.067 17.4829 175
+  184.692 0.207 2
+  185.064 4.3709 44
+  185.667 0.1147 1
+  185.731 0.1234 1
+  186.066 0.4759 5
+  191.035 0.197 2
+  193.049 1.2611 13
+  194.054 0.5897 6
+  195.064 14.9401 149
+  195.194 0.3828 4
+  196.071 11.9306 119
+  197.079 18.3034 183
+  198.081 3.4332 34
+  199.079 0.7902 8
+  213.021 0.3741 4
+  213.11 0.3513 4
+  214.028 0.2527 3
+  215.036 29.7832 298
+  216.038 5.3327 53
+  217.034 2.608 26
+  218.035 0.3905 4
+  227.036 0.849 8
+  228.041 0.2285 2
+  229.052 15.7211 157
+  230.058 21.2353 212
+  231.062 6.7095 67
+  232.06 2.2449 22
+  233.064 0.527 5
+  243.067 0.3241 3
+  245.082 0.4838 5
+  247.098 0.5903 6
+  261.113 0.2215 2
+  262.118 0.2162 2
+  290.148 0.3711 4
+  291.154 0.1824 2
+  323.129 6.2244 62
+  324.132 1.6945 17
+  325.129 0.6545 7
+  337.145 0.3215 3
+  338.152 8.5764 86
+  339.155 2.3567 24
+  340.152 0.8904 9
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ04035.txt b/MSSJ/MSBNK-MSSJ-MSJ04035.txt
new file mode 100644
index 00000000000..6ce65062206
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ04035.txt
@@ -0,0 +1,179 @@
+ACCESSION: MSBNK-MSSJ-MSJ04035
+RECORD_TITLE: (((Cyclohexylmethyl)thio)methyl)diphenylsilane; GC-EI-TOF; MS; POSITIVE; 70 V
+DATE: 2023.12.04
+AUTHORS: Eiyu Imai, Molecular Structure Characterization Unit, RIKEN, Japan
+LICENSE: CC BY
+COPYRIGHT: Eiyu Imai, Molecular Structure Characterization Unit, RIKEN, Japan
+PUBLICATION: Yong Luo, Huai-Long Teng, Can Xue, Masayoshi Nishiura, and Zhaomin Hou; ACS Catal. 2018, 8, 8027−8032. DOI: 10.1021/acscatal.8b02405
+COMMENT: Original ID of the mass spectral data is A_170628_luo4MB/164-3_ei.xlsx
+COMMENT: JMS-T100GCV (JEOL, Akishima, Japan) is a reflectron time-of-flight (reTOF) mass spectrometer. Temperature of the ion-source and GC-transfer line were 200 C and 250 C, respectively. Resolving power (FWHM, nominal) was 7000.
+COMMENT: EI voltage was 70 V. Typical accuracy level expected was 5 ppm. The m/z value was adjusted with 326.1524.
+CH$NAME: (((Cyclohexylmethyl)thio)methyl)diphenylsilane
+CH$COMPOUND_CLASS: Non-natural compound
+CH$FORMULA: C20H26SSi
+CH$EXACT_MASS: 326.152448
+CH$SMILES: c1cccc(c1)[SiH](CSCC1CCCCC1)c1ccccc1
+CH$IUPAC: InChI=1S/C20H26SSi/c1-4-10-18(11-5-1)16-21-17-22(19-12-6-2-7-13-19)20-14-8-3-9-15-20/h2-3,6-9,12-15,18,22H,1,4-5,10-11,16-17H2
+CH$LINK: INCHIKEY FNMUOOWTHRDKLA-UHFFFAOYSA-N
+AC$INSTRUMENT: JMS-T100GCV (JEOL, Akishima, Japan) coupled to Agilent 7890A (Santa Clara, CA, USA) gas chromatograph.
+AC$INSTRUMENT_TYPE: GC-EI-TOF
+AC$MASS_SPECTROMETRY: MS_TYPE MS
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION EI
+AC$CHROMATOGRAPHY: CARRIER_GAS He, flow rate 1.5 ml/min
+AC$CHROMATOGRAPHY: COLUMN_NAME HP-5 19091J-413 USD364547H (Agilent, Wilmington, USA) with the length 30.0 m, I.D. 0.32 mm, and thickness 0.25 micrometer.
+AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE Initial oven temperature at 70 C for 4 min and ramped at the rate of 30 C/min to 320 C and held at the final temperature for 7.67 min.
+AC$CHROMATOGRAPHY: INJECTION_TEMPERATURE 250 C
+AC$CHROMATOGRAPHY: RETENTION_TIME 12.06 min
+PK$SPLASH: splash10-001i-3920000000-1990002091d313381db2
+PK$NUM_PEAK: 148
+PK$PEAK: m/z int. rel.int.
+  27.024 1.7539 18
+  28.006 2.2004 22
+  28.031 0.4043 4
+  29.039 3.8033 38
+  31.99 0.8276 8
+  39.024 3.2463 32
+  40.031 0.4232 4
+  41.04 14.0567 140
+  41.088 0.1549 2
+  42.045 0.6784 7
+  43.001 0.5771 6
+  43.055 2.8876 29
+  44.981 0.6919 7
+  46.996 0.5187 5
+  51.024 0.9957 10
+  52.032 0.3178 3
+  52.985 4.6228 46
+  53.04 2.3654 24
+  53.989 0.3965 4
+  54.047 1.9723 20
+  55.001 0.695 7
+  55.055 31.1218 311
+  56.059 1.4731 15
+  61.012 2.7342 27
+  63.025 0.2503 3
+  65.04 1.8537 19
+  65.994 0.307 3
+  66.047 0.396 4
+  67.001 0.8965 9
+  67.056 4.8697 49
+  68.063 1.4632 15
+  69.071 1.4634 15
+  74.973 1.0547 11
+  76.986 0.445 4
+  77.04 3.5268 35
+  77.993 0.287 3
+  78.047 1.2622 13
+  79.001 3.9643 40
+  79.056 1.719 17
+  80.005 0.4964 5
+  80.062 0.3408 3
+  81.017 0.592 6
+  81.071 3.7238 37
+  82.077 0.5088 5
+  83.088 1.1283 11
+  89.04 0.5325 5
+  90.048 0.5039 5
+  91.056 28.9697 289
+  92.06 2.6176 26
+  93.017 2.9488 29
+  93.071 0.9286 9
+  94.019 0.3203 3
+  94.078 0.4325 4
+  95.028 0.1517 2
+  95.087 6.2064 62
+  96.094 2.1655 22
+  97.102 2.0098 20
+  103.001 2.7236 27
+  104.007 0.7231 7
+  105.017 38.0788 380
+  106.019 4.6693 47
+  107.023 1.5447 15
+  108.03 0.162 2
+  115.056 0.4957 5
+  117.017 0.791 8
+  118.024 0.5596 6
+  119.033 3.4702 35
+  120.038 0.9224 9
+  121.047 0.6379 6
+  128.065 0.3785 4
+  129.017 1.2183 12
+  129.072 0.1792 2
+  130.022 0.2849 3
+  131.033 1.2525 13
+  136.989 5.9665 60
+  137.994 1.6046 16
+  139.003 1.7918 18
+  140.004 0.24 2
+  141.007 0.1568 2
+  143.033 0.3238 3
+  143.091 1.6208 16
+  144.094 0.2179 2
+  149.997 0.3107 3
+  151.005 6.1577 62
+  152.012 62.4394 624
+  152.623 0.1747 2
+  153.016 11.137 111
+  154.01 5.4588 55
+  154.079 0.4592 5
+  155.032 3.749 37
+  156.035 0.5971 6
+  157.048 0.733 7
+  165.021 1.2865 13
+  165.072 2.9465 29
+  166.024 0.2683 3
+  166.077 0.7563 8
+  167.032 0.6152 6
+  167.087 1.1439 11
+  168.038 0.2078 2
+  169.049 0.4553 5
+  172.126 0.245 2
+  179.033 0.8403 8
+  180.041 4.1625 42
+  181.049 29.7491 297
+  181.318 0.404 4
+  182.052 6.6678 67
+  183.064 100 999
+  183.733 0.3177 3
+  184.067 18.0738 181
+  184.692 0.1989 2
+  185.064 4.502 45
+  185.724 0.129 1
+  186.066 0.4909 5
+  193.049 1.535 15
+  194.054 0.6839 7
+  195.064 15.0587 150
+  195.194 0.4044 4
+  196.071 12.0844 121
+  197.079 17.1171 171
+  198.081 3.252 32
+  199.079 0.8068 8
+  200.101 0.6008 6
+  201.108 0.2112 2
+  213.021 0.3359 3
+  215.036 27.6264 276
+  216.038 5.1496 51
+  216.15 0.1142 1
+  217.034 2.4472 24
+  218.036 0.3728 4
+  227.037 0.705 7
+  229.052 33.5209 335
+  230.058 30.0205 300
+  231.061 10.4893 105
+  231.28 0.1245 1
+  232.059 3.129 31
+  233.068 0.899 9
+  234.072 0.1467 1
+  235.098 0.5602 6
+  249.114 0.3548 4
+  278.149 1.144 11
+  279.153 0.4426 4
+  311.13 3.7147 37
+  312.133 0.9865 10
+  313.128 0.4142 4
+  325.145 0.441 4
+  326.152 7.3215 73
+  327.155 2.1058 21
+  328.152 0.8085 8
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ04036.txt b/MSSJ/MSBNK-MSSJ-MSJ04036.txt
new file mode 100644
index 00000000000..b516c0f881a
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ04036.txt
@@ -0,0 +1,191 @@
+ACCESSION: MSBNK-MSSJ-MSJ04036
+RECORD_TITLE: (((4-Bromophenyl)thio)methyl)diphenylsilane; GC-EI-TOF; MS; POSITIVE; 70 V
+DATE: 2023.12.04
+AUTHORS: Eiyu Imai, Molecular Structure Characterization Unit, RIKEN, Japan
+LICENSE: CC BY
+COPYRIGHT: Eiyu Imai, Molecular Structure Characterization Unit, RIKEN, Japan
+PUBLICATION: Yong Luo, Huai-Long Teng, Can Xue, Masayoshi Nishiura, and Zhaomin Hou; ACS Catal. 2018, 8, 8027−8032. DOI: 10.1021/acscatal.8b02405
+COMMENT: Original ID of the mass spectral data is A170721_luo4MB/3aa_ei.xlsx
+COMMENT: JMS-T100GCV (JEOL, Akishima, Japan) is a reflectron time-of-flight (reTOF) mass spectrometer. Temperature of the ion-source and GC-transfer line were 200 C and 250 C, respectively. Resolving power (FWHM, nominal) was 7000.
+COMMENT: EI voltage was 70 V. Typical accuracy level expected was 5 ppm. The m/z value was adjusted with 384.0004.
+CH$NAME: (((4-Bromophenyl)thio)methyl)diphenylsilane
+CH$COMPOUND_CLASS: Non-natural compound
+CH$FORMULA: C19H17BrSSi
+CH$EXACT_MASS: 384.000361
+CH$SMILES: Brc1ccc(SC[SiH](c2ccccc2)c2ccccc2)cc1
+CH$IUPAC: InChI=1S/C19H17BrSSi/c20-16-11-13-17(14-12-16)21-15-22(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-14,22H,15H2
+CH$LINK: INCHIKEY XNBKPQIHQVCYNW-UHFFFAOYSA-N
+AC$INSTRUMENT: JMS-T100GCV (JEOL, Akishima, Japan) coupled to Agilent 7890A (Santa Clara, CA, USA) gas chromatograph.
+AC$INSTRUMENT_TYPE: GC-EI-TOF
+AC$MASS_SPECTROMETRY: MS_TYPE MS
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION EI
+AC$CHROMATOGRAPHY: CARRIER_GAS He, flow rate 1.5 ml/min
+AC$CHROMATOGRAPHY: COLUMN_NAME HP-5 19091J-413 USD364547H (Agilent, Wilmington, USA) with the length 30.0 m, I.D. 0.32 mm, and thickness 0.25 micrometer.
+AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE Initial oven temperature at 70 C for 4 min and ramped at the rate of 30 C/min to 320 C and held at the final temperature for 7.67 min.
+AC$CHROMATOGRAPHY: INJECTION_TEMPERATURE 250 C
+AC$CHROMATOGRAPHY: RETENTION_TIME 12.71 min
+PK$SPLASH: splash10-001i-1901000000-e89a6b23eae77a32f8ec
+PK$NUM_PEAK: 160
+PK$PEAK: m/z int. rel.int.
+  28.006 2.9339 29
+  28.985 0.3051 3
+  31.99 0.9875 10
+  39.024 0.8355 8
+  43.001 0.6075 6
+  44.981 5.0756 51
+  45.987 0.2827 3
+  50.017 1.5618 16
+  51.024 2.0711 21
+  52.032 0.4385 4
+  52.985 6.2212 62
+  53.989 0.5504 5
+  55.001 0.7574 8
+  57.989 0.2445 2
+  63.024 1.2697 13
+  64.031 0.265 3
+  65.04 1.52 15
+  65.993 0.5332 5
+  67.001 1.1478 11
+  68.981 1.0096 10
+  74.017 0.4057 4
+  75.025 1.9618 20
+  76.032 2.3708 24
+  76.986 0.649 6
+  77.04 3.2326 32
+  77.993 0.464 5
+  78.048 3.0702 31
+  79.001 4.9107 49
+  79.054 0.3597 4
+  80.005 0.554 6
+  81.016 0.5619 6
+  81.989 0.6296 6
+  89.04 1.2281 12
+  90.047 0.9199 9
+  91.055 5.4119 54
+  92.009 0.2644 3
+  92.059 0.4292 4
+  93.017 3.0625 31
+  94.019 0.314 3
+  95.016 0.1355 1
+  103.002 3.4295 34
+  104.007 0.8932 9
+  105.017 36.6151 366
+  106.019 4.0927 41
+  106.896 0.5033 5
+  107.016 1.3708 14
+  108.005 4.4049 44
+  108.894 0.5135 5
+  109.011 0.6248 6
+  110.002 0.1965 2
+  115.056 0.5912 6
+  117.017 0.9947 10
+  118.024 0.3923 4
+  119.032 2.0915 21
+  120.037 0.4303 4
+  121.013 5.186 52
+  122.021 7.0392 70
+  123.023 0.7025 7
+  124.017 0.3081 3
+  128.064 0.3284 3
+  129.017 1.505 15
+  130.022 0.3245 3
+  131.033 1.1813 12
+  135.981 0.249 2
+  136.989 0.98 10
+  139.057 0.2492 2
+  143.033 0.3322 3
+  148.989 0.2736 3
+  149.997 0.8004 8
+  151.002 0.2623 3
+  151.056 0.4185 4
+  152.064 2.0286 20
+  153.017 0.398 4
+  153.071 0.6174 6
+  154.025 0.3033 3
+  154.08 0.2802 3
+  154.952 0.927 9
+  155.033 3.9165 39
+  155.957 0.2302 2
+  156.035 0.6304 6
+  156.949 0.9138 9
+  157.047 0.6532 7
+  157.956 0.2512 3
+  164.064 0.215 2
+  165.072 4.1194 41
+  166.077 1.0583 11
+  167.033 0.5538 6
+  167.087 0.8958 9
+  168.038 0.1825 2
+  168.966 0.6558 7
+  169.048 0.2566 3
+  170.965 0.598 6
+  179.033 1.0257 10
+  180.041 4.2908 43
+  180.173 0.1343 1
+  181.048 25.3766 254
+  181.322 0.3803 4
+  182.051 4.8689 49
+  183.064 100 999
+  183.733 0.3188 3
+  184.066 17.5108 175
+  184.699 0.2182 2
+  185.063 4.4056 44
+  185.713 0.1324 1
+  185.917 0.2546 3
+  186.065 0.4568 5
+  186.925 0.7404 7
+  187.919 0.3074 3
+  188.922 0.7739 8
+  193.048 0.9753 10
+  194.055 0.5464 5
+  195.064 5.3734 54
+  195.198 0.2361 2
+  196.071 10.9437 109
+  197.078 12.8152 128
+  197.275 0.1223 1
+  198.08 2.4311 24
+  199.078 0.5717 6
+  200.941 1.1284 11
+  202.939 1.1348 11
+  212.011 0.1885 2
+  213.02 1.131 11
+  214.026 0.4424 4
+  214.901 0.2645 3
+  215.035 0.7813 8
+  216.038 0.1518 2
+  216.898 0.2976 3
+  225.021 0.3316 3
+  226.028 0.6192 6
+  227.036 1.9869 20
+  228.041 0.7832 8
+  228.908 0.1388 1
+  229.042 0.3108 3
+  229.906 0.1883 2
+  257.08 0.2807 3
+  258.959 0.2548 3
+  259.093 0.1924 2
+  260.967 0.4633 5
+  261.966 0.1832 2
+  262.972 0.3081 3
+  290.929 0.2727 3
+  292.941 0.6535 7
+  294.944 0.5011 5
+  304.074 0.2418 2
+  304.945 0.4599 5
+  305.081 0.2118 2
+  305.95 0.2425 2
+  306.946 0.5258 5
+  307.948 0.2489 2
+  337.004 0.4556 5
+  339.003 0.4679 5
+  368.977 0.1653 2
+  370.977 0.1633 2
+  384 12.5218 125
+  384.264 0.1219 1
+  385.003 3.3825 34
+  385.999 13.5599 135
+  387.001 3.4906 35
+  387.998 1.3233 13
+  388.996 0.2591 3
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ04037.txt b/MSSJ/MSBNK-MSSJ-MSJ04037.txt
new file mode 100644
index 00000000000..8912d6e80c6
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ04037.txt
@@ -0,0 +1,224 @@
+ACCESSION: MSBNK-MSSJ-MSJ04037
+RECORD_TITLE: (((4-(Dimethylsilyl)phenyl)thio)methyl)diphenylsilane; GC-EI-TOF; MS; POSITIVE; 70 V
+DATE: 2023.12.04
+AUTHORS: Eiyu Imai, Molecular Structure Characterization Unit, RIKEN, Japan
+LICENSE: CC BY
+COPYRIGHT: Eiyu Imai, Molecular Structure Characterization Unit, RIKEN, Japan
+PUBLICATION: Yong Luo, Huai-Long Teng, Can Xue, Masayoshi Nishiura, and Zhaomin Hou; ACS Catal. 2018, 8, 8027−8032. DOI: 10.1021/acscatal.8b02405
+COMMENT: Original ID of the mass spectral data is A170721_luo4MB/3ab_ei.xlsx
+COMMENT: JMS-T100GCV (JEOL, Akishima, Japan) is a reflectron time-of-flight (reTOF) mass spectrometer. Temperature of the ion-source and GC-transfer line were 200 C and 250 C, respectively. Resolving power (FWHM, nominal) was 7000.
+COMMENT: EI voltage was 70 V. Typical accuracy level expected was 5 ppm. The m/z value was adjusted with 364.1137.
+CH$NAME: (((4-(Dimethylsilyl)phenyl)thio)methyl)diphenylsilane
+CH$COMPOUND_CLASS: Non-natural compound
+CH$FORMULA: C21H24SSi2
+CH$EXACT_MASS: 364.113725
+CH$SMILES: C[SiH](C)c1ccc(SC[SiH](c2ccccc2)c2ccccc2)cc1
+CH$IUPAC: InChI=1S/C21H24SSi2/c1-23(2)19-15-13-18(14-16-19)22-17-24(20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-16,23-24H,17H2,1-2H3
+CH$LINK: INCHIKEY HNGDNCMFNPZAHD-UHFFFAOYSA-N
+AC$INSTRUMENT: JMS-T100GCV (JEOL, Akishima, Japan) coupled to Agilent 7890A (Santa Clara, CA, USA) gas chromatograph.
+AC$INSTRUMENT_TYPE: GC-EI-TOF
+AC$MASS_SPECTROMETRY: MS_TYPE MS
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION EI
+AC$CHROMATOGRAPHY: CARRIER_GAS He, flow rate 1.5 ml/min
+AC$CHROMATOGRAPHY: COLUMN_NAME HP-5 19091J-413 USD364547H (Agilent, Wilmington, USA) with the length 30.0 m, I.D. 0.32 mm, and thickness 0.25 micrometer.
+AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE Initial oven temperature at 70 C for 4 min and ramped at the rate of 30 C/min to 320 C and held at the final temperature for 7.67 min.
+AC$CHROMATOGRAPHY: INJECTION_TEMPERATURE 250 C
+AC$CHROMATOGRAPHY: RETENTION_TIME 12.56 min
+PK$SPLASH: splash10-001i-2901000000-056132eb93aedc511c01
+PK$NUM_PEAK: 193
+PK$PEAK: m/z int. rel.int.
+  28.006 2.2931 23
+  28.985 0.6052 6
+  31.001 1.4897 15
+  31.99 0.761 8
+  39.024 0.5557 6
+  43.001 5.3144 53
+  44.004 0.4133 4
+  44.981 0.5803 6
+  45.016 0.5283 5
+  50.017 0.3056 3
+  51.024 1.2325 12
+  52.031 0.259 3
+  52.985 5.3387 53
+  53.041 0.1565 2
+  53.988 0.4457 4
+  55.001 1.1117 11
+  57.017 0.6529 7
+  58.025 2.4218 24
+  59.032 21.3377 213
+  60.033 1.4508 14
+  60.957 0.2701 3
+  61.029 0.7153 7
+  63.024 0.3581 4
+  65.04 2.0635 21
+  65.994 0.427 4
+  67.001 1.4636 15
+  68.007 0.2779 3
+  69.017 0.9097 9
+  72.04 0.3472 3
+  74.973 1.9475 19
+  76.032 0.5214 5
+  76.986 0.6329 6
+  77.04 4.2493 42
+  77.993 0.4213 4
+  78.047 1.4016 14
+  79.001 4.2328 42
+  79.055 0.6966 7
+  80.004 0.4541 5
+  81.017 0.8281 8
+  83.032 0.8525 9
+  89.04 1.3008 13
+  90.048 1.0012 10
+  91.004 0.6636 7
+  91.056 14.9482 149
+  92.009 0.4076 4
+  92.059 1.1767 12
+  93.017 4.5138 45
+  93.068 0.1289 1
+  94.019 0.494 5
+  95.032 0.6263 6
+  103.002 3.4874 35
+  103.056 0.5197 5
+  104.008 1.0627 11
+  104.064 0.6226 6
+  105.017 44.107 441
+  105.072 1.6912 17
+  105.471 0.1226 1
+  105.524 0.1423 1
+  106.019 5.123 51
+  106.074 0.1739 2
+  107.028 2.4019 24
+  108.036 0.3591 4
+  109.047 0.2407 2
+  115.056 0.5536 6
+  117.017 1.3414 13
+  118.024 0.7828 8
+  119.033 7.081 71
+  120.039 2.5533 26
+  121.048 6.3653 64
+  122.051 0.9814 10
+  123.043 0.2675 3
+  128.064 0.3222 3
+  129.017 1.3284 13
+  130.023 0.3902 4
+  131.033 2.1167 21
+  132.037 0.408 4
+  133.048 0.9683 10
+  134.056 2.1895 22
+  135.063 9.9365 99
+  135.982 0.2784 3
+  136.066 1.4188 14
+  136.989 2.3546 24
+  137.062 0.4169 4
+  137.991 0.3104 3
+  138.988 0.2074 2
+  141.071 0.2131 2
+  143.033 0.4862 5
+  145.048 0.7057 7
+  147.064 0.2528 3
+  148.071 0.7294 7
+  148.99 0.9957 10
+  149.078 0.5428 5
+  149.996 1.2752 13
+  151.005 3.8743 39
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+  164.014 0.2029 2
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+  165.071 5.5716 56
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+  166.076 1.4612 15
+  167.034 3.1054 31
+  167.087 1.9846 20
+  168.036 0.6997 7
+  168.091 0.3245 3
+  169.046 0.5891 6
+  176.049 0.1719 2
+  179.035 2.5455 25
+  180.043 16.0638 160
+  181.048 40.8952 409
+  181.321 0.5481 5
+  181.663 0.167 2
+  182.051 8.3506 83
+  182.322 0.1422 1
+  182.652 0.1181 1
+  182.724 0.1179 1
+  183.064 100 999
+  183.688 0.3427 3
+  184.066 17.7583 177
+  184.698 0.2341 2
+  185.063 4.4247 44
+  185.715 0.1442 1
+  186.066 0.4863 5
+  191.033 0.1684 2
+  193.049 1.9444 19
+  194.055 1.2198 12
+  195.064 14.6542 146
+  195.197 0.4899 5
+  196.07 17.1589 171
+  197.079 36.0764 360
+  197.708 0.1431 1
+  197.779 0.1387 1
+  198.081 6.8402 68
+  199.079 1.6524 17
+  200.082 0.1915 2
+  207.052 0.1747 2
+  208.022 0.1849 2
+  209.027 0.3546 4
+  209.079 0.3304 3
+  210.086 0.3741 4
+  211.093 0.276 3
+  213.02 1.5787 16
+  214.024 0.3574 4
+  215.035 1.4853 15
+  216.038 0.2644 3
+  217.034 0.1498 1
+  225.027 0.2781 3
+  226.028 0.4164 4
+  227.036 6.7802 68
+  228.039 1.811 18
+  229.044 1.1294 11
+  230.045 0.2361 2
+  239.073 0.3264 3
+  240.079 0.6348 6
+  241.082 0.318 3
+  242.067 0.2038 2
+  255.076 0.1402 1
+  257.08 0.8737 9
+  258.084 0.282 3
+  259.094 1.075 11
+  260.096 0.2526 3
+  271.044 1.9969 20
+  272.046 0.5033 5
+  273.053 0.5402 5
+  285.059 0.6315 6
+  286.064 0.301 3
+  287.068 0.1819 2
+  289.052 0.3892 4
+  291.065 0.3454 3
+  303.069 0.286 3
+  304.075 0.308 3
+  305.083 0.7427 7
+  306.084 0.2352 2
+  317.118 2.2279 22
+  318.121 0.7031 7
+  319.119 0.2574 3
+  348.08 0.1829 2
+  349.09 1.5422 15
+  350.092 0.5193 5
+  351.09 0.2437 2
+  363.106 0.8484 8
+  364.114 37.4149 374
+  365.116 12.8274 128
+  366.113 5.8733 59
+  367.114 1.4495 14
+  368.111 0.3305 3
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ04038.txt b/MSSJ/MSBNK-MSSJ-MSJ04038.txt
new file mode 100644
index 00000000000..b7e4587c914
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ04038.txt
@@ -0,0 +1,263 @@
+ACCESSION: MSBNK-MSSJ-MSJ04038
+RECORD_TITLE: 1-[[(2-Methyloctyl)thio]methyl]-4-[(methylthio)methyl]cyclohexane; GC-EI-TOF; MS; POSITIVE; 70 V
+DATE: 2023.12.04
+AUTHORS: Eiyu Imai, Molecular Structure Characterization Unit, RIKEN, Japan
+LICENSE: CC BY
+COPYRIGHT: Eiyu Imai, Molecular Structure Characterization Unit, RIKEN, Japan
+PUBLICATION: Yong Luo, Yuanhong Ma, and Zhaomin Hou; J. Am. Chem. Soc. 2018, 140, 114−117. DOI: 10.1021/jacs.7b11245.
+COMMENT: Original ID of the mass spectral data is A171018_luo4MB/3y_JACS140_114_i1_ei.xlsx
+COMMENT: JMS-T100GCV (JEOL, Akishima, Japan) is a reflectron time-of-flight (reTOF) mass spectrometer. Temperature of the ion-source and GC-transfer line were 200 C and 250 C, respectively. Resolving power (FWHM, nominal) was 7000.
+COMMENT: EI voltage was 70 V. Typical accuracy level expected was 5 ppm. The m/z value was adjusted with 316.2258.
+CH$NAME: 1-[[(2-Methyloctyl)thio]methyl]-4-[(methylthio)methyl]cyclohexane
+CH$COMPOUND_CLASS: Non-natural compound
+CH$FORMULA: C18H36S2
+CH$EXACT_MASS: 316.225842
+CH$SMILES: CSCC1CCC(CSCC(C)CCCCCC)CC1
+CH$IUPAC: InChI=1S/C18H36S2/c1-4-5-6-7-8-16(2)13-20-15-18-11-9-17(10-12-18)14-19-3/h16-18H,4-15H2,1-3H3
+CH$LINK: INCHIKEY NLSPBTGXFCJEDZ-UHFFFAOYSA-N
+AC$INSTRUMENT: JMS-T100GCV (JEOL, Akishima, Japan) coupled to Agilent 7890A (Santa Clara, CA, USA) gas chromatograph.
+AC$INSTRUMENT_TYPE: GC-EI-TOF
+AC$MASS_SPECTROMETRY: MS_TYPE MS
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION EI
+AC$CHROMATOGRAPHY: CARRIER_GAS He, flow rate 1.5 ml/min
+AC$CHROMATOGRAPHY: COLUMN_NAME HP-5 19091J-413 USD364547H (Agilent, Wilmington, USA) with the length 30.0 m, I.D. 0.32 mm, and thickness 0.25 micrometer.
+AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE Initial oven temperature at 70 C for 4 min and ramped at the rate of 30 C/min to 320 C and held at the final temperature for 1.67 min.
+AC$CHROMATOGRAPHY: INJECTION_TEMPERATURE 250 C
+AC$CHROMATOGRAPHY: RETENTION_TIME 11.63 min
+PK$SPLASH: splash10-052f-9400000000-eaab03a122a1057354cf
+PK$NUM_PEAK: 232
+PK$PEAK: m/z int. rel.int.
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+  27.068 0.1991 2
+  28.007 2.4753 25
+  28.033 1.3704 14
+  29.041 24.7075 247
+  30.044 0.5182 5
+  31.991 1.463 15
+  34.997 2.8098 28
+  35.328 0.1283 1
+  39.025 8.5473 85
+  39.055 0.1815 2
+  40.033 1.5277 15
+  41.041 63.8921 638
+  41.168 0.2627 3
+  41.325 0.3109 3
+  41.39 0.2161 2
+  41.556 0.2051 2
+  41.614 0.1629 2
+  42.048 8.4025 84
+  43.057 70.3551 703
+  43.182 0.232 2
+  43.293 0.2347 2
+  43.338 0.2221 2
+  43.38 0.3021 3
+  43.884 0.159 2
+  43.992 0.1947 2
+  44.06 2.2719 23
+  44.088 0.1683 2
+  44.982 6.7761 68
+  45.03 0.1409 1
+  45.99 2.5098 25
+  46.998 8.9125 89
+  47.081 0.1837 2
+  48.006 1.5118 15
+  48.993 0.448 4
+  49.014 0.9201 9
+  50.017 0.204 2
+  51.026 0.5917 6
+  52.033 0.3444 3
+  53.041 9.44 94
+  53.1 0.2254 2
+  54.049 7.8498 78
+  54.113 0.1727 2
+  55.057 53.0829 530
+  55.351 0.2056 2
+  55.426 0.1788 2
+  56.064 13.278 133
+  56.129 0.2122 2
+  57.073 30.2843 303
+  57.182 0.2462 2
+  57.991 0.3334 3
+  58.076 1.2344 12
+  58.998 2.4907 25
+  60.005 1.8918 19
+  61.013 97.023 969
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+  61.421 0.261 3
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+  64.016 0.2501 2
+  65.041 4.0908 41
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+  67.176 0.317 3
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+  67.722 0.1486 1
+  68.063 6.2546 62
+  69.072 28.5218 285
+  69.137 0.4261 4
+  70.079 5.6733 57
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+  70.998 0.9525 10
+  71.088 12.842 128
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+  75.029 4.655 47
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+  79.057 42.8889 428
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+  80.064 12.7093 127
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+  80.817 0.1936 2
+  81.073 21.8774 219
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+  301.202 2.3799 24
+  302.207 0.5308 5
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+  315.217 0.6037 6
+  316.226 46.167 461
+  316.919 0.1799 2
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+  317.229 9.6522 96
+  317.455 0.142 1
+  318.223 4.5662 46
+  319.227 0.8384 8
+  320.221 0.2544 3
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ04039.txt b/MSSJ/MSBNK-MSSJ-MSJ04039.txt
new file mode 100644
index 00000000000..1e3a42483e5
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ04039.txt
@@ -0,0 +1,158 @@
+ACCESSION: MSBNK-MSSJ-MSJ04039
+RECORD_TITLE: 1-[[(2-Methyloctyl)thio]methyl]-4-[(methylthio)methyl]cyclohexane; GC-EI-TOF; MS; POSITIVE; 70 V
+DATE: 2023.12.04
+AUTHORS: Eiyu Imai, Molecular Structure Characterization Unit, RIKEN, Japan
+LICENSE: CC BY
+COPYRIGHT: Eiyu Imai, Molecular Structure Characterization Unit, RIKEN, Japan
+PUBLICATION: Yong Luo, Yuanhong Ma, and Zhaomin Hou; J. Am. Chem. Soc. 2018, 140, 114−117. DOI: 10.1021/jacs.7b11245.
+COMMENT: Original ID of the mass spectral data is A171018_luo4MB/3y_JACS140_114_i2_ei.xlsx
+COMMENT: JMS-T100GCV (JEOL, Akishima, Japan) is a reflectron time-of-flight (reTOF) mass spectrometer. Temperature of the ion-source and GC-transfer line were 200 C and 250 C, respectively. Resolving power (FWHM, nominal) was 7000.
+COMMENT: EI voltage was 70 V. Typical accuracy level expected was 5 ppm. The m/z value was adjusted with 316.2258.
+CH$NAME: 1-[[(2-Methyloctyl)thio]methyl]-4-[(methylthio)methyl]cyclohexane
+CH$COMPOUND_CLASS: Non-natural compound
+CH$FORMULA: C18H36S2
+CH$EXACT_MASS: 316.225842
+CH$SMILES: CSCC1CCC(CSCC(C)CCCCCC)CC1
+CH$IUPAC: InChI=1S/C18H36S2/c1-4-5-6-7-8-16(2)13-20-15-18-11-9-17(10-12-18)14-19-3/h16-18H,4-15H2,1-3H3
+CH$LINK: INCHIKEY NLSPBTGXFCJEDZ-UHFFFAOYSA-N
+AC$INSTRUMENT: JMS-T100GCV (JEOL, Akishima, Japan) coupled to Agilent 7890A (Santa Clara, CA, USA) gas chromatograph.
+AC$INSTRUMENT_TYPE: GC-EI-TOF
+AC$MASS_SPECTROMETRY: MS_TYPE MS
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION EI
+AC$CHROMATOGRAPHY: CARRIER_GAS He, flow rate 1.5 ml/min
+AC$CHROMATOGRAPHY: COLUMN_NAME HP-5 19091J-413 USD364547H (Agilent, Wilmington, USA) with the length 30.0 m, I.D. 0.32 mm, and thickness 0.25 micrometer.
+AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE Initial oven temperature at 70 C for 4 min and ramped at the rate of 30 C/min to 320 C and held at the final temperature for 1.67 min.
+AC$CHROMATOGRAPHY: INJECTION_TEMPERATURE 250 C
+AC$CHROMATOGRAPHY: RETENTION_TIME 11.65 min
+PK$SPLASH: splash10-052f-9500000000-72486f3b77aba0ad95b9
+PK$NUM_PEAK: 127
+PK$PEAK: m/z int. rel.int.
+  27.025 6.2308 62
+  28.008 0.5667 6
+  28.033 0.8264 8
+  29.041 16.5165 165
+  30.044 0.3411 3
+  31.991 0.3277 3
+  34.997 1.7728 18
+  39.026 5.388 54
+  40.033 1.0044 10
+  41.041 42.7243 427
+  41.327 0.1485 1
+  42.048 5.5969 56
+  43.057 49.3669 493
+  43.345 0.131 1
+  44.06 1.5382 15
+  44.982 4.5651 46
+  45.99 1.5968 16
+  46.998 5.9323 59
+  48.006 0.8075 8
+  49.014 0.454 5
+  51.026 0.3508 4
+  53.041 6.1361 61
+  54.049 4.9311 49
+  55.057 35.51 355
+  56.064 7.713 77
+  57.073 24.2037 242
+  57.176 0.1281 1
+  58.076 0.9926 10
+  58.998 1.6576 17
+  60.006 1.2275 12
+  61.013 61.3647 613
+  61.164 0.1201 1
+  61.355 0.136 1
+  61.398 0.1791 2
+  62.018 2.4225 24
+  63.009 2.6257 26
+  65.041 2.6732 27
+  66.049 1.7489 17
+  67.057 39.7122 397
+  68.063 4.3755 44
+  69.073 18.497 185
+  70.079 2.8676 29
+  70.998 0.5519 6
+  71.088 14.8732 149
+  72.006 0.4651 5
+  72.092 0.759 8
+  73.014 2.4148 24
+  74.021 1.6515 16
+  75.029 2.7822 28
+  77.042 4.2562 43
+  78.049 1.724 17
+  79.057 27.3663 273
+  80.064 9.3935 94
+  81.073 13.2903 133
+  82.078 1.3718 14
+  83.088 6.2372 62
+  84.095 1.4505 14
+  85.014 3.34 33
+  85.104 6.1651 62
+  86.021 0.7194 7
+  86.107 0.409 4
+  87.029 3.3723 34
+  88.036 0.476 5
+  89.045 0.8142 8
+  91.057 7.3305 73
+  92.063 1.2135 12
+  93.073 27.9161 279
+  94.079 5.037 50
+  95.088 15.9765 160
+  95.49 0.1169 1
+  96.092 1.264 13
+  97.014 0.5733 6
+  97.104 0.959 10
+  98.111 0.3849 4
+  99.03 1.6379 16
+  100.036 0.3299 3
+  101.045 1.9829 20
+  102.052 0.7018 7
+  103.059 0.3704 4
+  105.073 2.0727 21
+  106.078 0.3372 3
+  107.088 17.9555 179
+  108.096 100 999
+  108.608 0.2619 3
+  109.103 55.3731 553
+  110.107 4.415 44
+  111.117 0.4178 4
+  113.044 2.5094 25
+  114.049 0.2613 3
+  115.06 0.5607 6
+  125.135 0.2061 2
+  126.143 0.2655 3
+  127.061 0.7661 8
+  128.068 0.2845 3
+  129.076 0.3353 3
+  141.076 33.6616 336
+  142.083 79.6819 796
+  142.671 0.2248 2
+  143.089 14.7555 147
+  143.521 0.1328 1
+  144.081 3.675 37
+  145.086 0.5994 6
+  155.092 2.2038 22
+  156.099 10.6139 106
+  157.107 7.269 73
+  157.209 0.125 1
+  158.113 3.1436 31
+  159.122 2.2775 23
+  160.122 0.2718 3
+  171.123 0.4284 4
+  173.138 3.2165 32
+  174.142 0.3504 4
+  183.123 0.3505 4
+  189.079 0.2423 2
+  191.095 0.2113 2
+  203.094 0.2818 3
+  231.125 0.2193 2
+  267.217 0.1882 2
+  268.223 1.5722 16
+  269.231 37.0102 370
+  270.234 6.8579 69
+  271.23 2.0694 21
+  272.232 0.3213 3
+  315.218 0.2432 2
+  316.226 6.0366 60
+  317.229 1.2399 12
+  318.223 0.6148 6
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ04040.txt b/MSSJ/MSBNK-MSSJ-MSJ04040.txt
new file mode 100644
index 00000000000..06fcc763888
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ04040.txt
@@ -0,0 +1,183 @@
+ACCESSION: MSBNK-MSSJ-MSJ04040
+RECORD_TITLE: [[(Pentylthio)methyl]silyl]benzene; GC-EI-TOF; MS; POSITIVE; 70 V
+DATE: 2023.12.04
+AUTHORS: Eiyu Imai, Molecular Structure Characterization Unit, RIKEN, Japan
+LICENSE: CC BY
+COPYRIGHT: Eiyu Imai, Molecular Structure Characterization Unit, RIKEN, Japan
+PUBLICATION: Yong Luo, Huai-Long Teng, Can Xue, Masayoshi Nishiura, and Zhaomin Hou; ACS Catal. 2018, 8, 8027−8032. DOI: 10.1021/acscatal.8b02405.
+COMMENT: Original ID of the mass spectral data is A180223_luo4MB/3d_ei.xlsx
+COMMENT: JMS-T100GCV (JEOL, Akishima, Japan) is a reflectron time-of-flight (reTOF) mass spectrometer. Temperature of the ion-source and GC-transfer line were 200 C and 250 C, respectively. Resolving power (FWHM, nominal) was 7000.
+COMMENT: EI voltage was 70 V. Typical accuracy level expected was 5 ppm. The m/z value was adjusted with 224.1055.
+CH$NAME: [[(Pentylthio)methyl]silyl]benzene
+CH$COMPOUND_CLASS: Non-natural compound
+CH$FORMULA: C12H20SSi
+CH$EXACT_MASS: 224.105498
+CH$SMILES: CCCCCSC[SiH2]c1ccccc1
+CH$IUPAC: InChI=1S/C12H20SSi/c1-2-3-7-10-13-11-14-12-8-5-4-6-9-12/h4-6,8-9H,2-3,7,10-11,14H2,1H3
+CH$LINK: INCHIKEY CUZBGRAPTSVDPN-UHFFFAOYSA-N
+AC$INSTRUMENT: JMS-T100GCV (JEOL, Akishima, Japan) coupled to Agilent 7890A (Santa Clara, CA, USA) gas chromatograph.
+AC$INSTRUMENT_TYPE: GC-EI-TOF
+AC$MASS_SPECTROMETRY: MS_TYPE MS
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION EI
+AC$CHROMATOGRAPHY: CARRIER_GAS He, flow rate 1.5 ml/min
+AC$CHROMATOGRAPHY: COLUMN_NAME HP-5 19091J-413 USD364547H (Agilent, Wilmington, USA) with the length 30.0 m, I.D. 0.32 mm, and thickness 0.25 micrometer.
+AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE Initial oven temperature at 70 C for 4 min and ramped at the rate of 30 C/min to 320 C and held at the final temperature for 11.67 min.
+AC$CHROMATOGRAPHY: INJECTION_TEMPERATURE 250 C
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.18 min
+PK$SPLASH: splash10-0k96-9800000000-fe0420ea41edb92681d7
+PK$NUM_PEAK: 152
+PK$PEAK: m/z int. rel.int.
+  27.024 10.5799 106
+  27.977 0.7289 7
+  28.006 2.124 21
+  28.031 1.0464 10
+  28.985 5.1158 51
+  29.039 16.4357 164
+  29.083 0.2758 3
+  30.042 0.3531 4
+  31.99 1.1708 12
+  39.024 6.9769 70
+  40.031 0.9207 9
+  41.039 25.02 250
+  41.993 0.8084 8
+  42.047 6.4181 64
+  43.001 8.8659 89
+  43.055 31.3071 313
+  44.003 0.5867 6
+  44.058 0.9581 10
+  44.98 2.4749 25
+  45.016 0.4499 4
+  45.988 1.4306 14
+  46.996 2.1648 22
+  50.016 0.8812 9
+  51.024 3.3983 34
+  52.031 1.0456 10
+  52.985 10.4049 104
+  53.039 1.6558 17
+  53.991 1.4213 14
+  54.047 0.3544 4
+  55.001 3.997 40
+  55.055 6.8196 68
+  56.003 0.314 3
+  56.062 1.1344 11
+  58.996 0.9083 9
+  59.949 1.2117 12
+  60.004 1.193 12
+  60.957 3.9224 39
+  61.012 8.9694 90
+  61.964 0.7013 7
+  62.015 0.422 4
+  62.953 0.35 3
+  62.972 0.4299 4
+  63.023 0.6871 7
+  65.039 3.1122 31
+  65.993 1.2823 13
+  67.001 2.7502 27
+  67.055 0.9749 10
+  68.002 0.3447 3
+  68.063 1.5408 15
+  69.017 0.9749 10
+  69.071 9.5361 95
+  70.078 2.0622 21
+  71.086 1.0491 10
+  72.957 1.9201 19
+  73.012 0.422 4
+  73.964 0.9598 10
+  74.016 0.3718 4
+  74.973 12.8171 128
+  75.027 0.7555 8
+  75.981 45.5224 455
+  76.985 6.697 67
+  77.039 8.0175 80
+  77.099 0.2168 2
+  77.978 3.6115 36
+  78.047 6.1081 61
+  79.001 6.2076 62
+  79.055 4.0738 41
+  80.006 1.1593 12
+  80.06 0.322 3
+  81.016 7.5267 75
+  82.017 0.6431 6
+  83.021 0.2785 3
+  87.027 0.4584 5
+  89.04 0.9074 9
+  89.996 2.3727 24
+  90.047 0.5539 6
+  91.002 0.9176 9
+  91.055 100 999
+  91.473 0.334 3
+  91.523 0.3082 3
+  91.848 0.2501 2
+  91.893 0.2083 2
+  92.005 0.3633 4
+  92.059 8.3218 83
+  92.138 0.2621 3
+  93.016 3.4533 34
+  93.07 3.9175 39
+  94.018 0.4277 4
+  94.074 0.3664 4
+  95.032 1.4786 15
+  97.048 1.404 14
+  98.055 1.2685 13
+  101.042 0.4175 4
+  102.051 0.4069 4
+  103.002 3.3059 33
+  103.058 0.6987 7
+  104.01 1.7535 18
+  105.016 49.5256 495
+  106.02 7.9789 80
+  107.032 55.0994 550
+  108.034 6.0503 60
+  109.03 1.9934 20
+  112.071 1.7438 17
+  113.076 0.3997 4
+  117.019 1.7518 18
+  117.074 2.9914 30
+  118.026 1.4289 14
+  118.078 0.4628 5
+  119.032 8.8299 88
+  120.04 26.7771 268
+  121.047 18.7849 188
+  122.047 2.5091 25
+  123.045 0.6458 6
+  131.035 2.5437 25
+  132.036 0.3544 4
+  133.048 0.485 5
+  134.054 0.394 4
+  136.988 5.8829 59
+  137.992 0.9318 9
+  139.004 45.0725 450
+  140.006 5.9233 59
+  141.001 3.5924 36
+  142.002 0.3917 4
+  145.051 1.7558 18
+  146.056 0.6018 6
+  147.064 0.4912 5
+  147.12 0.3145 3
+  148.07 0.7489 7
+  151.004 1.3294 13
+  152.012 1.587 16
+  153.02 65.5869 655
+  153.572 0.251 3
+  153.633 0.2283 2
+  154.027 48.1785 481
+  154.555 0.2643 3
+  155.025 9.9678 100
+  156.024 3.8193 38
+  157.026 0.5605 6
+  165.02 0.5303 5
+  167.035 1.0162 10
+  176.101 1.3214 13
+  177.105 0.3389 3
+  181.052 0.3003 3
+  207.07 0.2527 3
+  209.082 6.5651 66
+  210.084 1.2055 12
+  211.079 0.6556 7
+  223.098 2.1475 21
+  224.105 19.814 198
+  225.108 3.5462 35
+  226.103 1.6918 17
+  227.105 0.3309 3
+//
diff --git a/MSSJ/MSBNK-MSSJ-MSJ04041.txt b/MSSJ/MSBNK-MSSJ-MSJ04041.txt
new file mode 100644
index 00000000000..9784513d91c
--- /dev/null
+++ b/MSSJ/MSBNK-MSSJ-MSJ04041.txt
@@ -0,0 +1,226 @@
+ACCESSION: MSBNK-MSSJ-MSJ04041
+RECORD_TITLE: 1-(3,3-Diphenyl-2,3-dihydrobenzo[d][1,3]thiasilol-5-yl)pyrrolidine; GC-EI-TOF; MS; POSITIVE; 70 V
+DATE: 2023.12.04
+AUTHORS: Eiyu Imai, Molecular Structure Characterization Unit, RIKEN, Japan
+LICENSE: CC BY
+COPYRIGHT: Eiyu Imai, Molecular Structure Characterization Unit, RIKEN, Japan
+PUBLICATION: Yong Luo, Huai-Long Teng, Can Xue, Masayoshi Nishiura, and Zhaomin Hou; ACS Catal. 2018, 8, 8027−8032. DOI: 10.1021/acscatal.8b02405.
+COMMENT: Original ID of the mass spectral data is A180223_luo4MB/4b_ei.xlsx
+COMMENT: JMS-T100GCV (JEOL, Akishima, Japan) is a reflectron time-of-flight (reTOF) mass spectrometer. Temperature of the ion-source and GC-transfer line were 200 C and 250 C, respectively. Resolving power (FWHM, nominal) was 7000.
+COMMENT: EI voltage was 70 V. Typical accuracy level expected was 5 ppm. The m/z value was adjusted with 373.1320.
+CH$NAME: 1-(3,3-Diphenyl-2,3-dihydrobenzo[d][1,3]thiasilol-5-yl)pyrrolidine
+CH$COMPOUND_CLASS: Non-natural compound
+CH$FORMULA: C23H23NSSi
+CH$EXACT_MASS: 373.132043
+CH$SMILES: c1ccccc1[Si]1(CSc2ccc(cc21)N1CCCC1)c1ccccc1
+CH$IUPAC: InChI=1S/C23H23NSSi/c1-3-9-20(10-4-1)26(21-11-5-2-6-12-21)18-25-22-14-13-19(17-23(22)26)24-15-7-8-16-24/h1-6,9-14,17H,7-8,15-16,18H2
+CH$LINK: INCHIKEY LOYHVNROZVQNPA-UHFFFAOYSA-N
+AC$INSTRUMENT: JMS-T100GCV (JEOL, Akishima, Japan) coupled to Agilent 7890A (Santa Clara, CA, USA) gas chromatograph.
+AC$INSTRUMENT_TYPE: GC-EI-TOF
+AC$MASS_SPECTROMETRY: MS_TYPE MS
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION EI
+AC$CHROMATOGRAPHY: CARRIER_GAS He, flow rate 1.5 ml/min
+AC$CHROMATOGRAPHY: COLUMN_NAME HP-5 19091J-413 USD364547H (Agilent, Wilmington, USA) with the length 30.0 m, I.D. 0.32 mm, and thickness 0.25 micrometer.
+AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE Initial oven temperature at 70 C for 4 min and ramped at the rate of 30 C/min to 320 C and held at the final temperature for 11.67 min.
+AC$CHROMATOGRAPHY: INJECTION_TEMPERATURE 250 C
+AC$CHROMATOGRAPHY: RETENTION_TIME 14.42 min
+PK$SPLASH: splash10-00di-0319000000-17dd2fffbd4204202258
+PK$NUM_PEAK: 195
+PK$PEAK: m/z int. rel.int.
+  28.006 1.2639 13
+  31.99 0.7547 8
+  39.024 0.3588 4
+  41.039 0.4962 5
+  42.035 0.4292 4
+  43.043 1.296 13
+  51.024 0.4873 5
+  52.985 0.6105 6
+  55.055 0.2939 3
+  63.024 0.4235 4
+  65.04 0.4715 5
+  75.024 0.2876 3
+  76.032 0.2814 3
+  77.04 1.9514 19
+  78.046 0.7144 7
+  79.001 0.3679 4
+  89.04 1.1592 12
+  90.047 0.4523 5
+  91.055 4.1335 41
+  92.059 0.3546 4
+  102.046 0.245 2
+  103.001 0.5222 5
+  103.053 0.3255 3
+  104.057 0.2696 3
+  105.017 3.7112 37
+  106.018 0.4691 5
+  107.014 0.1811 2
+  112.51 0.2847 3
+  113.014 0.1931 2
+  115.055 0.7812 8
+  116.052 0.503 5
+  117.016 0.1967 2
+  117.06 0.2829 3
+  119.018 0.159 2
+  119.517 0.2926 3
+  120.021 0.332 3
+  121.013 0.2381 2
+  126.016 0.7133 7
+  126.52 3.3589 34
+  127.023 1.2285 12
+  127.523 0.473 5
+  128.057 0.3271 3
+  129.017 0.4034 4
+  129.063 0.2266 2
+  130.066 0.8258 8
+  131.071 0.1735 2
+  133.022 0.1674 2
+  133.528 0.2794 3
+  134.03 0.152 2
+  134.974 0.2613 3
+  135.044 0.2439 2
+  136.989 0.8963 9
+  139.056 0.4332 4
+  140.04 0.1491 1
+  141.07 0.2111 2
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+  142.054 0.1186 1
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+  144.082 0.4411 4
+  147.039 0.9616 10
+  147.543 3.8602 39
+  148.044 0.9946 10
+  148.545 0.5497 5
+  148.988 0.7218 7
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+  149.993 0.2251 2
+  151.056 0.572 6
+  152.063 1.9055 19
+  153.017 0.262 3
+  153.069 0.6734 7
+  154.074 0.2639 3
+  155.032 0.47 5
+  158.097 0.2323 2
+  161.987 0.2069 2
+  162.565 1.1203 11
+  163.003 0.2185 2
+  163.066 1.0468 10
+  163.573 1.1136 11
+  164.066 0.9291 9
+  165.071 7.6151 76
+  166.076 1.7124 17
+  167.032 0.2617 3
+  167.084 0.596 6
+  169.573 0.348 3
+  175.999 0.3605 4
+  176.061 0.1815 2
+  177.008 0.1757 2
+  177.068 0.2238 2
+  178.079 1.2274 12
+  179.032 0.5534 6
+  179.085 0.7846 8
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+  181.048 1.7876 18
+  182.049 0.3765 4
+  183.061 0.2394 2
+  186.567 1.0934 11
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+  191.079 0.3184 3
+  192.082 0.412 4
+  193.047 0.8916 9
+  194.052 0.3437 3
+  195.063 0.5964 6
+  196.064 0.1704 2
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+  202.08 0.2364 2
+  204.032 0.5841 6
+  204.083 0.7133 7
+  205.043 0.4995 5
+  206.045 0.3537 4
+  206.098 0.3783 4
+  207.037 0.6065 6
+  208.054 0.207 2
+  211.004 0.2777 3
+  212.012 0.3149 3
+  213.02 0.6343 6
+  214.021 0.1825 2
+  215.086 0.2234 2
+  217.046 0.2067 2
+  218.047 0.346 3
+  219.054 0.4132 4
+  220.059 0.5196 5
+  221.062 0.1709 2
+  223.006 0.2063 2
+  225.02 1.3032 13
+  226.027 0.9737 10
+  227.032 0.4769 5
+  228.032 0.1883 2
+  228.095 0.1837 2
+  229.049 0.2628 3
+  231.062 0.2249 2
+  232.06 0.3123 3
+  233.068 0.3875 4
+  234.075 0.3134 3
+  234.129 0.4573 5
+  239.036 1.0902 11
+  240.035 1.0112 10
+  241.04 0.3625 4
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+  243.06 0.1612 2
+  246.075 0.2625 3
+  251.025 0.2346 2
+  252.034 0.6671 7
+  253.045 0.672 7
+  254.048 0.9184 9
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