MassBank Record: KO001850



 Sulfanilic acid; LC-ESI-QQ; MS2; CE:40 V; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO001850
RECORD_TITLE: Sulfanilic acid; LC-ESI-QQ; MS2; CE:40 V; [M-H]-
DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10)
AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ.
LICENSE: CC BY-NC-SA
COMMENT: KEIO_ID S073

CH$NAME: Sulfanilate CH$NAME: Sulfanilic acid CH$NAME: 4-Aminobenzenesulfonic acid CH$NAME: 4-Aminobenzenesulfonate CH$NAME: p-Aminobenzenesulfonic acid CH$COMPOUND_CLASS: N/A CH$FORMULA: C6H7NO3S CH$EXACT_MASS: 173.01466 CH$SMILES: Nc(c1)ccc(c1)S(O)(=O)=O CH$IUPAC: InChI=1S/C6H7NO3S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,7H2,(H,8,9,10) CH$LINK: CAS 121-57-3 CH$LINK: KEGG C06335 CH$LINK: NIKKAJI J2.924F CH$LINK: PUBCHEM SID:8571
AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V
MS$FOCUSED_ION: PRECURSOR_M/Z 172 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-001i-9000000000-e8e6b3a869baae19dfae PK$NUM_PEAK: 5 PK$PEAK: m/z int. rel.int. 78.100 39604.0 11 80.200 3524756.0 999 107.100 163366.5 46 107.900 108911.0 31 171.900 49505.0 14 //