Change plain PubChem number to corresponding CID and fix some compoun…

…d info
MassBank · Feb 4, 2025 · 4398ef3 · 4398ef3
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diff --git a/BAFG/MSBNK-BAFG-CSL2311108225.txt b/BAFG/MSBNK-BAFG-CSL2311108225.txt
@@ -10,10 +10,10 @@ CH$NAME: Phenylephrine
 CH$COMPOUND_CLASS: Pharmaceutical
 CH$FORMULA: C9H13NO2
 CH$EXACT_MASS: 167.0946
-CH$SMILES: CNCC(O)C1=CC(O)=CC=C1
-CH$IUPAC: InChI=1S/C9H13NO2/c1-10-6-9(12)7-3-2-4-8(11)5-7/h2-5,9-12H,6H2,1H3
-CH$LINK: CAS 1477-63-0
-CH$LINK: INCHIKEY SONNWYBIRXJNDC-UHFFFAOYSA-N
+CH$SMILES: CNC[C@@H](C1=CC(=CC=C1)O)O
+CH$IUPAC: InChI=1S/C9H13NO2/c1-10-6-9(12)7-3-2-4-8(11)5-7/h2-5,9-12H,6H2,1H3/t9-/m0/s1
+CH$LINK: CAS 59-42-7
+CH$LINK: INCHIKEY SONNWYBIRXJNDC-VIFPVBQESA-N
 AC$INSTRUMENT: TripleTOF 5600 SCIEX
 AC$INSTRUMENT_TYPE: LC-ESI-QTOF
 AC$MASS_SPECTROMETRY: MS_TYPE MS2

diff --git a/Eawag/MSBNK-Eawag-EQ333901.txt b/Eawag/MSBNK-Eawag-EQ333901.txt
@@ -13,7 +13,7 @@ CH$FORMULA: C9H13NO2
 CH$EXACT_MASS: 167.09463
 CH$SMILES: CNC[C@@H](C1=CC(=CC=C1)O)O
 CH$IUPAC: InChI=1S/C9H13NO2/c1-10-6-9(12)7-3-2-4-8(11)5-7/h2-5,9-12H,6H2,1H3/t9-/m0/s1
-CH$LINK: CAS 1416-03-1
+CH$LINK: CAS 59-42-7
 CH$LINK: KEGG C07441
 CH$LINK: PUBCHEM CID:6041
 CH$LINK: INCHIKEY SONNWYBIRXJNDC-VIFPVBQESA-N

diff --git a/Eawag/MSBNK-Eawag-EQ333902.txt b/Eawag/MSBNK-Eawag-EQ333902.txt
@@ -13,7 +13,7 @@ CH$FORMULA: C9H13NO2
 CH$EXACT_MASS: 167.09463
 CH$SMILES: CNC[C@@H](C1=CC(=CC=C1)O)O
 CH$IUPAC: InChI=1S/C9H13NO2/c1-10-6-9(12)7-3-2-4-8(11)5-7/h2-5,9-12H,6H2,1H3/t9-/m0/s1
-CH$LINK: CAS 1416-03-1
+CH$LINK: CAS 59-42-7
 CH$LINK: KEGG C07441
 CH$LINK: PUBCHEM CID:6041
 CH$LINK: INCHIKEY SONNWYBIRXJNDC-VIFPVBQESA-N

diff --git a/Eawag/MSBNK-Eawag-EQ333903.txt b/Eawag/MSBNK-Eawag-EQ333903.txt
@@ -13,7 +13,7 @@ CH$FORMULA: C9H13NO2
 CH$EXACT_MASS: 167.09463
 CH$SMILES: CNC[C@@H](C1=CC(=CC=C1)O)O
 CH$IUPAC: InChI=1S/C9H13NO2/c1-10-6-9(12)7-3-2-4-8(11)5-7/h2-5,9-12H,6H2,1H3/t9-/m0/s1
-CH$LINK: CAS 1416-03-1
+CH$LINK: CAS 59-42-7
 CH$LINK: KEGG C07441
 CH$LINK: PUBCHEM CID:6041
 CH$LINK: INCHIKEY SONNWYBIRXJNDC-VIFPVBQESA-N

diff --git a/Eawag/MSBNK-Eawag-EQ333904.txt b/Eawag/MSBNK-Eawag-EQ333904.txt
@@ -13,7 +13,7 @@ CH$FORMULA: C9H13NO2
 CH$EXACT_MASS: 167.09463
 CH$SMILES: CNC[C@@H](C1=CC(=CC=C1)O)O
 CH$IUPAC: InChI=1S/C9H13NO2/c1-10-6-9(12)7-3-2-4-8(11)5-7/h2-5,9-12H,6H2,1H3/t9-/m0/s1
-CH$LINK: CAS 1416-03-1
+CH$LINK: CAS 59-42-7
 CH$LINK: KEGG C07441
 CH$LINK: PUBCHEM CID:6041
 CH$LINK: INCHIKEY SONNWYBIRXJNDC-VIFPVBQESA-N

diff --git a/Eawag/MSBNK-Eawag-EQ333905.txt b/Eawag/MSBNK-Eawag-EQ333905.txt
@@ -13,7 +13,7 @@ CH$FORMULA: C9H13NO2
 CH$EXACT_MASS: 167.09463
 CH$SMILES: CNC[C@@H](C1=CC(=CC=C1)O)O
 CH$IUPAC: InChI=1S/C9H13NO2/c1-10-6-9(12)7-3-2-4-8(11)5-7/h2-5,9-12H,6H2,1H3/t9-/m0/s1
-CH$LINK: CAS 1416-03-1
+CH$LINK: CAS 59-42-7
 CH$LINK: KEGG C07441
 CH$LINK: PUBCHEM CID:6041
 CH$LINK: INCHIKEY SONNWYBIRXJNDC-VIFPVBQESA-N

diff --git a/Eawag/MSBNK-Eawag-EQ333906.txt b/Eawag/MSBNK-Eawag-EQ333906.txt
@@ -13,7 +13,7 @@ CH$FORMULA: C9H13NO2
 CH$EXACT_MASS: 167.09463
 CH$SMILES: CNC[C@@H](C1=CC(=CC=C1)O)O
 CH$IUPAC: InChI=1S/C9H13NO2/c1-10-6-9(12)7-3-2-4-8(11)5-7/h2-5,9-12H,6H2,1H3/t9-/m0/s1
-CH$LINK: CAS 1416-03-1
+CH$LINK: CAS 59-42-7
 CH$LINK: KEGG C07441
 CH$LINK: PUBCHEM CID:6041
 CH$LINK: INCHIKEY SONNWYBIRXJNDC-VIFPVBQESA-N

diff --git a/Fiocruz/MSBNK-Fiocruz-FIO00001.txt b/Fiocruz/MSBNK-Fiocruz-FIO00001.txt
@@ -15,7 +15,7 @@ CH$LINK: CAS 483-04-5
 CH$LINK: KEGG C09024
 CH$LINK: KNAPSACK C00001678
 CH$LINK: NIKKAJI J13.108C
-CH$LINK: PUBCHEM 11216
+CH$LINK: PUBCHEM CID:441975
 CH$LINK: INCHIKEY GRTOGORTSDXSFK-XJTZBENFSA-N
 CH$LINK: COMPTOX DTXSID60904151
 AC$INSTRUMENT: maXis (Bruker Daltonics)

diff --git a/Fiocruz/MSBNK-Fiocruz-FIO00002.txt b/Fiocruz/MSBNK-Fiocruz-FIO00002.txt
@@ -15,7 +15,7 @@ CH$LINK: CAS 483-04-5
 CH$LINK: KEGG C09024
 CH$LINK: KNAPSACK C00001678
 CH$LINK: NIKKAJI J13.108C
-CH$LINK: PUBCHEM 11216
+CH$LINK: PUBCHEM CID:441975
 CH$LINK: INCHIKEY GRTOGORTSDXSFK-XJTZBENFSA-N
 CH$LINK: COMPTOX DTXSID60904151
 AC$INSTRUMENT: maXis (Bruker Daltonics)

diff --git a/Fiocruz/MSBNK-Fiocruz-FIO00003.txt b/Fiocruz/MSBNK-Fiocruz-FIO00003.txt
@@ -15,7 +15,7 @@ CH$LINK: CAS 483-04-5
 CH$LINK: KEGG C09024
 CH$LINK: KNAPSACK C00001678
 CH$LINK: NIKKAJI J13.108C
-CH$LINK: PUBCHEM 11216
+CH$LINK: PUBCHEM CID:441975
 CH$LINK: INCHIKEY GRTOGORTSDXSFK-XJTZBENFSA-N
 CH$LINK: COMPTOX DTXSID60904151
 AC$INSTRUMENT: maXis (Bruker Daltonics)

diff --git a/Fiocruz/MSBNK-Fiocruz-FIO00004.txt b/Fiocruz/MSBNK-Fiocruz-FIO00004.txt
@@ -15,7 +15,7 @@ CH$LINK: CAS 483-04-5
 CH$LINK: KEGG C09024
 CH$LINK: KNAPSACK C00001678
 CH$LINK: NIKKAJI J13.108C
-CH$LINK: PUBCHEM 11216
+CH$LINK: PUBCHEM CID:441975
 CH$LINK: INCHIKEY GRTOGORTSDXSFK-XJTZBENFSA-N
 CH$LINK: COMPTOX DTXSID60904151
 AC$INSTRUMENT: maXis (Bruker Daltonics)

diff --git a/Fiocruz/MSBNK-Fiocruz-FIO00005.txt b/Fiocruz/MSBNK-Fiocruz-FIO00005.txt
@@ -15,7 +15,7 @@ CH$LINK: CAS 483-04-5
 CH$LINK: KEGG C09024
 CH$LINK: KNAPSACK C00001678
 CH$LINK: NIKKAJI J13.108C
-CH$LINK: PUBCHEM 11216
+CH$LINK: PUBCHEM CID:441975
 CH$LINK: INCHIKEY GRTOGORTSDXSFK-XJTZBENFSA-N
 CH$LINK: COMPTOX DTXSID60904151
 AC$INSTRUMENT: maXis (Bruker Daltonics)

diff --git a/Fiocruz/MSBNK-Fiocruz-FIO00006.txt b/Fiocruz/MSBNK-Fiocruz-FIO00006.txt
@@ -16,7 +16,7 @@ CH$LINK: CHEBI CHEBI:18388
 CH$LINK: KEGG C01477
 CH$LINK: KNAPSACK C00003817
 CH$LINK: NIKKAJI J6.601J
-CH$LINK: PUBCHEM 4649
+CH$LINK: PUBCHEM CID:5280443
 CH$LINK: INCHIKEY KZNIFHPLKGYRTM-UHFFFAOYSA-N
 CH$LINK: COMPTOX DTXSID6022391
 AC$INSTRUMENT: maXis (Bruker Daltonics)

diff --git a/Fiocruz/MSBNK-Fiocruz-FIO00007.txt b/Fiocruz/MSBNK-Fiocruz-FIO00007.txt
@@ -16,7 +16,7 @@ CH$LINK: CHEBI CHEBI:18388
 CH$LINK: KEGG C01477
 CH$LINK: KNAPSACK C00003817
 CH$LINK: NIKKAJI J6.601J
-CH$LINK: PUBCHEM 4649
+CH$LINK: PUBCHEM CID:5280443
 CH$LINK: INCHIKEY KZNIFHPLKGYRTM-UHFFFAOYSA-N
 CH$LINK: COMPTOX DTXSID6022391
 AC$INSTRUMENT: maXis (Bruker Daltonics)

diff --git a/Fiocruz/MSBNK-Fiocruz-FIO00008.txt b/Fiocruz/MSBNK-Fiocruz-FIO00008.txt
@@ -16,7 +16,7 @@ CH$LINK: CHEBI CHEBI:18388
 CH$LINK: KEGG C01477
 CH$LINK: KNAPSACK C00003817
 CH$LINK: NIKKAJI J6.601J
-CH$LINK: PUBCHEM 4649
+CH$LINK: PUBCHEM CID:5280443
 CH$LINK: INCHIKEY KZNIFHPLKGYRTM-UHFFFAOYSA-N
 CH$LINK: COMPTOX DTXSID6022391
 AC$INSTRUMENT: maXis (Bruker Daltonics)

diff --git a/Fiocruz/MSBNK-Fiocruz-FIO00009.txt b/Fiocruz/MSBNK-Fiocruz-FIO00009.txt
@@ -16,7 +16,7 @@ CH$LINK: CHEBI CHEBI:18388
 CH$LINK: KEGG C01477
 CH$LINK: KNAPSACK C00003817
 CH$LINK: NIKKAJI J6.601J
-CH$LINK: PUBCHEM 4649
+CH$LINK: PUBCHEM CID:5280443
 CH$LINK: INCHIKEY KZNIFHPLKGYRTM-UHFFFAOYSA-N
 CH$LINK: COMPTOX DTXSID6022391
 AC$INSTRUMENT: maXis (Bruker Daltonics)

diff --git a/Fiocruz/MSBNK-Fiocruz-FIO00010.txt b/Fiocruz/MSBNK-Fiocruz-FIO00010.txt
@@ -16,7 +16,7 @@ CH$LINK: CHEBI CHEBI:18388
 CH$LINK: KEGG C01477
 CH$LINK: KNAPSACK C00003817
 CH$LINK: NIKKAJI J6.601J
-CH$LINK: PUBCHEM 4649
+CH$LINK: PUBCHEM CID:5280443
 CH$LINK: INCHIKEY KZNIFHPLKGYRTM-UHFFFAOYSA-N
 CH$LINK: COMPTOX DTXSID6022391
 AC$INSTRUMENT: maXis (Bruker Daltonics)

diff --git a/Fiocruz/MSBNK-Fiocruz-FIO00011.txt b/Fiocruz/MSBNK-Fiocruz-FIO00011.txt
@@ -16,7 +16,7 @@ CH$LINK: CHEBI CHEBI:18388
 CH$LINK: KEGG C01477
 CH$LINK: KNAPSACK C00003817
 CH$LINK: NIKKAJI J6.601J
-CH$LINK: PUBCHEM 4649
+CH$LINK: PUBCHEM CID:5280443
 CH$LINK: INCHIKEY KZNIFHPLKGYRTM-UHFFFAOYSA-N
 CH$LINK: COMPTOX DTXSID6022391
 AC$INSTRUMENT: maXis (Bruker Daltonics)

diff --git a/Fiocruz/MSBNK-Fiocruz-FIO00012.txt b/Fiocruz/MSBNK-Fiocruz-FIO00012.txt
@@ -16,7 +16,7 @@ CH$LINK: CHEBI CHEBI:18388
 CH$LINK: KEGG C01477
 CH$LINK: KNAPSACK C00003817
 CH$LINK: NIKKAJI J6.601J
-CH$LINK: PUBCHEM 4649
+CH$LINK: PUBCHEM CID:5280443
 CH$LINK: INCHIKEY KZNIFHPLKGYRTM-UHFFFAOYSA-N
 CH$LINK: COMPTOX DTXSID6022391
 AC$INSTRUMENT: maXis (Bruker Daltonics)

diff --git a/Fiocruz/MSBNK-Fiocruz-FIO00013.txt b/Fiocruz/MSBNK-Fiocruz-FIO00013.txt
@@ -16,7 +16,7 @@ CH$LINK: CHEBI CHEBI:18388
 CH$LINK: KEGG C01477
 CH$LINK: KNAPSACK C00003817
 CH$LINK: NIKKAJI J6.601J
-CH$LINK: PUBCHEM 4649
+CH$LINK: PUBCHEM CID:5280443
 CH$LINK: INCHIKEY KZNIFHPLKGYRTM-UHFFFAOYSA-N
 CH$LINK: COMPTOX DTXSID6022391
 AC$INSTRUMENT: maXis (Bruker Daltonics)

diff --git a/Fiocruz/MSBNK-Fiocruz-FIO00014.txt b/Fiocruz/MSBNK-Fiocruz-FIO00014.txt
@@ -16,7 +16,7 @@ CH$LINK: CHEBI CHEBI:18388
 CH$LINK: KEGG C01477
 CH$LINK: KNAPSACK C00003817
 CH$LINK: NIKKAJI J6.601J
-CH$LINK: PUBCHEM 4649
+CH$LINK: PUBCHEM CID:5280443
 CH$LINK: INCHIKEY KZNIFHPLKGYRTM-UHFFFAOYSA-N
 CH$LINK: COMPTOX DTXSID6022391
 AC$INSTRUMENT: maXis (Bruker Daltonics)

diff --git a/Fiocruz/MSBNK-Fiocruz-FIO00015.txt b/Fiocruz/MSBNK-Fiocruz-FIO00015.txt
@@ -16,7 +16,7 @@ CH$LINK: CHEBI CHEBI:18388
 CH$LINK: KEGG C01477
 CH$LINK: KNAPSACK C00003817
 CH$LINK: NIKKAJI J6.601J
-CH$LINK: PUBCHEM 4649
+CH$LINK: PUBCHEM CID:5280443
 CH$LINK: INCHIKEY KZNIFHPLKGYRTM-UHFFFAOYSA-N
 CH$LINK: COMPTOX DTXSID6022391
 AC$INSTRUMENT: maXis (Bruker Daltonics)

diff --git a/Fiocruz/MSBNK-Fiocruz-FIO00016.txt b/Fiocruz/MSBNK-Fiocruz-FIO00016.txt
@@ -16,7 +16,7 @@ CH$LINK: CHEBI CHEBI:15956
 CH$LINK: KEGG C00120
 CH$LINK: KNAPSACK C00000756
 CH$LINK: NIKKAJI J94.599D
-CH$LINK: PUBCHEM 3420
+CH$LINK: PUBCHEM CID:171548
 CH$LINK: INCHIKEY YBJHBAHKTGYVGT-ZKWXMUAHSA-N
 CH$LINK: COMPTOX DTXSID7022679
 AC$INSTRUMENT: maXis (Bruker Daltonics)

diff --git a/Fiocruz/MSBNK-Fiocruz-FIO00017.txt b/Fiocruz/MSBNK-Fiocruz-FIO00017.txt
@@ -16,7 +16,7 @@ CH$LINK: CHEBI CHEBI:15956
 CH$LINK: KEGG C00120
 CH$LINK: KNAPSACK C00000756
 CH$LINK: NIKKAJI J94.599D
-CH$LINK: PUBCHEM 3420
+CH$LINK: PUBCHEM CID:171548
 CH$LINK: INCHIKEY YBJHBAHKTGYVGT-ZKWXMUAHSA-N
 CH$LINK: COMPTOX DTXSID7022679
 AC$INSTRUMENT: maXis (Bruker Daltonics)

diff --git a/Fiocruz/MSBNK-Fiocruz-FIO00018.txt b/Fiocruz/MSBNK-Fiocruz-FIO00018.txt
@@ -16,7 +16,7 @@ CH$LINK: CHEBI CHEBI:15956
 CH$LINK: KEGG C00120
 CH$LINK: KNAPSACK C00000756
 CH$LINK: NIKKAJI J94.599D
-CH$LINK: PUBCHEM 3420
+CH$LINK: PUBCHEM CID:171548
 CH$LINK: INCHIKEY YBJHBAHKTGYVGT-ZKWXMUAHSA-N
 CH$LINK: COMPTOX DTXSID7022679
 AC$INSTRUMENT: maXis (Bruker Daltonics)

diff --git a/Fiocruz/MSBNK-Fiocruz-FIO00019.txt b/Fiocruz/MSBNK-Fiocruz-FIO00019.txt
@@ -16,7 +16,7 @@ CH$LINK: CHEBI CHEBI:15956
 CH$LINK: KEGG C00120
 CH$LINK: KNAPSACK C00000756
 CH$LINK: NIKKAJI J94.599D
-CH$LINK: PUBCHEM 3420
+CH$LINK: PUBCHEM CID:171548
 CH$LINK: INCHIKEY YBJHBAHKTGYVGT-ZKWXMUAHSA-N
 CH$LINK: COMPTOX DTXSID7022679
 AC$INSTRUMENT: maXis (Bruker Daltonics)

diff --git a/Fiocruz/MSBNK-Fiocruz-FIO00020.txt b/Fiocruz/MSBNK-Fiocruz-FIO00020.txt
@@ -16,7 +16,7 @@ CH$LINK: CHEBI CHEBI:15956
 CH$LINK: KEGG C00120
 CH$LINK: KNAPSACK C00000756
 CH$LINK: NIKKAJI J94.599D
-CH$LINK: PUBCHEM 3420
+CH$LINK: PUBCHEM CID:171548
 CH$LINK: INCHIKEY YBJHBAHKTGYVGT-ZKWXMUAHSA-N
 CH$LINK: COMPTOX DTXSID7022679
 AC$INSTRUMENT: maXis (Bruker Daltonics)

diff --git a/Fiocruz/MSBNK-Fiocruz-FIO00021.txt b/Fiocruz/MSBNK-Fiocruz-FIO00021.txt
@@ -16,7 +16,7 @@ CH$LINK: CHEBI CHEBI:15956
 CH$LINK: KEGG C00120
 CH$LINK: KNAPSACK C00000756
 CH$LINK: NIKKAJI J94.599D
-CH$LINK: PUBCHEM 3420
+CH$LINK: PUBCHEM CID:171548
 CH$LINK: INCHIKEY YBJHBAHKTGYVGT-ZKWXMUAHSA-N
 CH$LINK: COMPTOX DTXSID7022679
 AC$INSTRUMENT: maXis (Bruker Daltonics)

diff --git a/Fiocruz/MSBNK-Fiocruz-FIO00022.txt b/Fiocruz/MSBNK-Fiocruz-FIO00022.txt
@@ -16,7 +16,7 @@ CH$LINK: CHEBI CHEBI:15956
 CH$LINK: KEGG C00120
 CH$LINK: KNAPSACK C00000756
 CH$LINK: NIKKAJI J94.599D
-CH$LINK: PUBCHEM 3420
+CH$LINK: PUBCHEM CID:171548
 CH$LINK: INCHIKEY YBJHBAHKTGYVGT-ZKWXMUAHSA-N
 CH$LINK: COMPTOX DTXSID7022679
 AC$INSTRUMENT: maXis (Bruker Daltonics)

diff --git a/Fiocruz/MSBNK-Fiocruz-FIO00023.txt b/Fiocruz/MSBNK-Fiocruz-FIO00023.txt
@@ -15,7 +15,7 @@ CH$LINK: CAS 480-40-0
 CH$LINK: KEGG C10028
 CH$LINK: KNAPSACK C00003794
 CH$LINK: NIKKAJI J1.544J
-CH$LINK: PUBCHEM 12214
+CH$LINK: PUBCHEM CID:5281607
 CH$LINK: INCHIKEY RTIXKCRFFJGDFG-UHFFFAOYSA-N
 CH$LINK: COMPTOX DTXSID1022396
 AC$INSTRUMENT: maXis (Bruker Daltonics)

diff --git a/Fiocruz/MSBNK-Fiocruz-FIO00024.txt b/Fiocruz/MSBNK-Fiocruz-FIO00024.txt
@@ -15,7 +15,7 @@ CH$LINK: CAS 480-40-0
 CH$LINK: KEGG C10028
 CH$LINK: KNAPSACK C00003794
 CH$LINK: NIKKAJI J1.544J
-CH$LINK: PUBCHEM 12214
+CH$LINK: PUBCHEM CID:5281607
 CH$LINK: INCHIKEY RTIXKCRFFJGDFG-UHFFFAOYSA-N
 CH$LINK: COMPTOX DTXSID1022396
 AC$INSTRUMENT: maXis (Bruker Daltonics)

diff --git a/Fiocruz/MSBNK-Fiocruz-FIO00025.txt b/Fiocruz/MSBNK-Fiocruz-FIO00025.txt
@@ -15,7 +15,7 @@ CH$LINK: CAS 480-40-0
 CH$LINK: KEGG C10028
 CH$LINK: KNAPSACK C00003794
 CH$LINK: NIKKAJI J1.544J
-CH$LINK: PUBCHEM 12214
+CH$LINK: PUBCHEM CID:5281607
 CH$LINK: INCHIKEY RTIXKCRFFJGDFG-UHFFFAOYSA-N
 CH$LINK: COMPTOX DTXSID1022396
 AC$INSTRUMENT: maXis (Bruker Daltonics)

diff --git a/Fiocruz/MSBNK-Fiocruz-FIO00026.txt b/Fiocruz/MSBNK-Fiocruz-FIO00026.txt
@@ -15,7 +15,7 @@ CH$LINK: CAS 480-40-0
 CH$LINK: KEGG C10028
 CH$LINK: KNAPSACK C00003794
 CH$LINK: NIKKAJI J1.544J
-CH$LINK: PUBCHEM 12214
+CH$LINK: PUBCHEM CID:5281607
 CH$LINK: INCHIKEY RTIXKCRFFJGDFG-UHFFFAOYSA-N
 CH$LINK: COMPTOX DTXSID1022396
 AC$INSTRUMENT: maXis (Bruker Daltonics)

diff --git a/Fiocruz/MSBNK-Fiocruz-FIO00027.txt b/Fiocruz/MSBNK-Fiocruz-FIO00027.txt
@@ -15,7 +15,7 @@ CH$LINK: CAS 480-40-0
 CH$LINK: KEGG C10028
 CH$LINK: KNAPSACK C00003794
 CH$LINK: NIKKAJI J1.544J
-CH$LINK: PUBCHEM 12214
+CH$LINK: PUBCHEM CID:5281607
 CH$LINK: INCHIKEY RTIXKCRFFJGDFG-UHFFFAOYSA-N
 CH$LINK: COMPTOX DTXSID1022396
 AC$INSTRUMENT: maXis (Bruker Daltonics)

diff --git a/Fiocruz/MSBNK-Fiocruz-FIO00028.txt b/Fiocruz/MSBNK-Fiocruz-FIO00028.txt
@@ -15,7 +15,7 @@ CH$LINK: CAS 480-40-0
 CH$LINK: KEGG C10028
 CH$LINK: KNAPSACK C00003794
 CH$LINK: NIKKAJI J1.544J
-CH$LINK: PUBCHEM 12214
+CH$LINK: PUBCHEM CID:5281607
 CH$LINK: INCHIKEY RTIXKCRFFJGDFG-UHFFFAOYSA-N
 CH$LINK: COMPTOX DTXSID1022396
 AC$INSTRUMENT: maXis (Bruker Daltonics)

diff --git a/Fiocruz/MSBNK-Fiocruz-FIO00029.txt b/Fiocruz/MSBNK-Fiocruz-FIO00029.txt
@@ -15,7 +15,7 @@ CH$LINK: CAS 480-40-0
 CH$LINK: KEGG C10028
 CH$LINK: KNAPSACK C00003794
 CH$LINK: NIKKAJI J1.544J
-CH$LINK: PUBCHEM 12214
+CH$LINK: PUBCHEM CID:5281607
 CH$LINK: INCHIKEY RTIXKCRFFJGDFG-UHFFFAOYSA-N
 CH$LINK: COMPTOX DTXSID1022396
 AC$INSTRUMENT: maXis (Bruker Daltonics)

diff --git a/Fiocruz/MSBNK-Fiocruz-FIO00030.txt b/Fiocruz/MSBNK-Fiocruz-FIO00030.txt
@@ -15,7 +15,7 @@ CH$LINK: CAS 480-40-0
 CH$LINK: KEGG C10028
 CH$LINK: KNAPSACK C00003794
 CH$LINK: NIKKAJI J1.544J
-CH$LINK: PUBCHEM 12214
+CH$LINK: PUBCHEM CID:5281607
 CH$LINK: INCHIKEY RTIXKCRFFJGDFG-UHFFFAOYSA-N
 CH$LINK: COMPTOX DTXSID1022396
 AC$INSTRUMENT: maXis (Bruker Daltonics)

diff --git a/Fiocruz/MSBNK-Fiocruz-FIO00031.txt b/Fiocruz/MSBNK-Fiocruz-FIO00031.txt
@@ -15,7 +15,7 @@ CH$LINK: CAS 480-40-0
 CH$LINK: KEGG C10028
 CH$LINK: KNAPSACK C00003794
 CH$LINK: NIKKAJI J1.544J
-CH$LINK: PUBCHEM 12214
+CH$LINK: PUBCHEM CID:5281607
 CH$LINK: INCHIKEY RTIXKCRFFJGDFG-UHFFFAOYSA-N
 CH$LINK: COMPTOX DTXSID1022396
 AC$INSTRUMENT: maXis (Bruker Daltonics)

diff --git a/Fiocruz/MSBNK-Fiocruz-FIO00032.txt b/Fiocruz/MSBNK-Fiocruz-FIO00032.txt
@@ -15,7 +15,7 @@ CH$LINK: CAS 480-40-0
 CH$LINK: KEGG C10028
 CH$LINK: KNAPSACK C00003794
 CH$LINK: NIKKAJI J1.544J
-CH$LINK: PUBCHEM 12214
+CH$LINK: PUBCHEM CID:5281607
 CH$LINK: INCHIKEY RTIXKCRFFJGDFG-UHFFFAOYSA-N
 CH$LINK: COMPTOX DTXSID1022396
 AC$INSTRUMENT: maXis (Bruker Daltonics)

diff --git a/Fiocruz/MSBNK-Fiocruz-FIO00033.txt b/Fiocruz/MSBNK-Fiocruz-FIO00033.txt
@@ -16,7 +16,7 @@ CH$LINK: CHEBI CHEBI:28794
 CH$LINK: KEGG C05851
 CH$LINK: KNAPSACK C00002460
 CH$LINK: NIKKAJI J3.218B
-CH$LINK: PUBCHEM 8144
+CH$LINK: PUBCHEM CID:323
 CH$LINK: INCHIKEY ZYGHJZDHTFUPRJ-UHFFFAOYSA-N
 CH$LINK: COMPTOX DTXSID7020348
 AC$INSTRUMENT: maXis (Bruker Daltonics)

diff --git a/Fiocruz/MSBNK-Fiocruz-FIO00034.txt b/Fiocruz/MSBNK-Fiocruz-FIO00034.txt
@@ -16,7 +16,7 @@ CH$LINK: CHEBI CHEBI:28794
 CH$LINK: KEGG C05851
 CH$LINK: KNAPSACK C00002460
 CH$LINK: NIKKAJI J3.218B
-CH$LINK: PUBCHEM 8144
+CH$LINK: PUBCHEM CID:323
 CH$LINK: INCHIKEY ZYGHJZDHTFUPRJ-UHFFFAOYSA-N
 CH$LINK: COMPTOX DTXSID7020348
 AC$INSTRUMENT: maXis (Bruker Daltonics)

diff --git a/Fiocruz/MSBNK-Fiocruz-FIO00035.txt b/Fiocruz/MSBNK-Fiocruz-FIO00035.txt
@@ -16,7 +16,7 @@ CH$LINK: CHEBI CHEBI:28794
 CH$LINK: KEGG C05851
 CH$LINK: KNAPSACK C00002460
 CH$LINK: NIKKAJI J3.218B
-CH$LINK: PUBCHEM 8144
+CH$LINK: PUBCHEM CID:323
 CH$LINK: INCHIKEY ZYGHJZDHTFUPRJ-UHFFFAOYSA-N
 CH$LINK: COMPTOX DTXSID7020348
 AC$INSTRUMENT: maXis (Bruker Daltonics)

diff --git a/Fiocruz/MSBNK-Fiocruz-FIO00036.txt b/Fiocruz/MSBNK-Fiocruz-FIO00036.txt
@@ -16,7 +16,7 @@ CH$LINK: CHEBI CHEBI:28794
 CH$LINK: KEGG C05851
 CH$LINK: KNAPSACK C00002460
 CH$LINK: NIKKAJI J3.218B
-CH$LINK: PUBCHEM 8144
+CH$LINK: PUBCHEM CID:323
 CH$LINK: INCHIKEY ZYGHJZDHTFUPRJ-UHFFFAOYSA-N
 CH$LINK: COMPTOX DTXSID7020348
 AC$INSTRUMENT: maXis (Bruker Daltonics)