Fix molecular formula

MassBank · Jan 20, 2025 · 18cf63d · 18cf63d
1 parent 54af9d3
commit 18cf63d
Show file tree

Hide file tree

Showing 4 changed files with 4 additions and 4 deletions.
diff --git a/BAFG/MSBNK-BAFG-CSL25011734709.txt b/BAFG/MSBNK-BAFG-CSL25011734709.txt
@@ -7,7 +7,7 @@ COPYRIGHT: Copyright 2025 Federal Institute of Hydrology, Koblenz, Germany
 COMMENT: CONFIDENCE Reference Standard (Level 1)
 COMMENT: Chromatography method: dx.doi.org/10.1016/j.chroma.2015.11.014
 CH$NAME: N-[2-[(2-Bromo-4,6-dinitrophenyl)azo]-5-(diethylamino)phenyl]acetamide
-CH$FORMULA: [C18H19BrN6O5]-
+CH$FORMULA: C18H19BrN6O5
 CH$EXACT_MASS: 478.06
 CH$SMILES: CCN(CC)C1=CC(=C(C=C1)N=NC2=C(C=C(C=C2Br)[N+](=O)[O-])[N+](=O)[O-])NC(=O)C
 CH$IUPAC: InChI=1S/C18H19BrN6O5/c1-4-23(5-2)12-6-7-15(16(9-12)20-11(3)26)21-22-18-14(19)8-13(24(27)28)10-17(18)25(29)30/h6-10H,4-5H2,1-3H3,(H,20,26)

diff --git a/BAFG/MSBNK-BAFG-CSL25011734710.txt b/BAFG/MSBNK-BAFG-CSL25011734710.txt
@@ -7,7 +7,7 @@ COPYRIGHT: Copyright 2025 Federal Institute of Hydrology, Koblenz, Germany
 COMMENT: CONFIDENCE Reference Standard (Level 1)
 COMMENT: Chromatography method: dx.doi.org/10.1016/j.chroma.2015.11.014
 CH$NAME: N-[2-[(2-Bromo-4,6-dinitrophenyl)azo]-5-(diethylamino)phenyl]acetamide
-CH$FORMULA: [C18H19BrN6O5]-
+CH$FORMULA: C18H19BrN6O5
 CH$EXACT_MASS: 478.06
 CH$SMILES: CCN(CC)C1=CC(=C(C=C1)N=NC2=C(C=C(C=C2Br)[N+](=O)[O-])[N+](=O)[O-])NC(=O)C
 CH$IUPAC: InChI=1S/C18H19BrN6O5/c1-4-23(5-2)12-6-7-15(16(9-12)20-11(3)26)21-22-18-14(19)8-13(24(27)28)10-17(18)25(29)30/h6-10H,4-5H2,1-3H3,(H,20,26)

diff --git a/BAFG/MSBNK-BAFG-CSL25011734711.txt b/BAFG/MSBNK-BAFG-CSL25011734711.txt
@@ -7,7 +7,7 @@ COPYRIGHT: Copyright 2025 Federal Institute of Hydrology, Koblenz, Germany
 COMMENT: CONFIDENCE Reference Standard (Level 1)
 COMMENT: Chromatography method: dx.doi.org/10.1016/j.chroma.2015.11.014
 CH$NAME: N-[2-[(2-Bromo-4,6-dinitrophenyl)azo]-5-(diethylamino)phenyl]acetamide
-CH$FORMULA: [C18H19BrN6O5]-
+CH$FORMULA: C18H19BrN6O5
 CH$EXACT_MASS: 478.06
 CH$SMILES: CCN(CC)C1=CC(=C(C=C1)N=NC2=C(C=C(C=C2Br)[N+](=O)[O-])[N+](=O)[O-])NC(=O)C
 CH$IUPAC: InChI=1S/C18H19BrN6O5/c1-4-23(5-2)12-6-7-15(16(9-12)20-11(3)26)21-22-18-14(19)8-13(24(27)28)10-17(18)25(29)30/h6-10H,4-5H2,1-3H3,(H,20,26)

diff --git a/BAFG/MSBNK-BAFG-CSL25011734712.txt b/BAFG/MSBNK-BAFG-CSL25011734712.txt
@@ -7,7 +7,7 @@ COPYRIGHT: Copyright 2025 Federal Institute of Hydrology, Koblenz, Germany
 COMMENT: CONFIDENCE Reference Standard (Level 1)
 COMMENT: Chromatography method: dx.doi.org/10.1016/j.chroma.2015.11.014
 CH$NAME: N-[2-[(2-Bromo-4,6-dinitrophenyl)azo]-5-(diethylamino)phenyl]acetamide
-CH$FORMULA: [C18H19BrN6O5]-
+CH$FORMULA: C18H19BrN6O5
 CH$EXACT_MASS: 478.06
 CH$SMILES: CCN(CC)C1=CC(=C(C=C1)N=NC2=C(C=C(C=C2Br)[N+](=O)[O-])[N+](=O)[O-])NC(=O)C
 CH$IUPAC: InChI=1S/C18H19BrN6O5/c1-4-23(5-2)12-6-7-15(16(9-12)20-11(3)26)21-22-18-14(19)8-13(24(27)28)10-17(18)25(29)30/h6-10H,4-5H2,1-3H3,(H,20,26)