MassBank Record: KO000191



 4-Aminosalicylic acid; LC-ESI-QQ; MS2; CE:20 V; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO000191
RECORD_TITLE: 4-Aminosalicylic acid; LC-ESI-QQ; MS2; CE:20 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 A129

CH$NAME: 4-Aminosalicylate CH$NAME: 4-Aminosalicylic acid CH$COMPOUND_CLASS: N/A CH$FORMULA: C7H7NO3 CH$EXACT_MASS: 153.04259 CH$SMILES: Nc(c1)cc(O)c(c1)C(O)=O CH$IUPAC: InChI=1S/C7H7NO3/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3,9H,8H2,(H,10,11) CH$LINK: CAS 65-49-6 CH$LINK: KEGG C02518 CH$LINK: NIKKAJI J4.838K CH$LINK: PUBCHEM SID:5528
AC$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 20 V
MS$FOCUSED_ION: PRECURSOR_M/Z 152 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-0a4i-1900000000-e893f1439cefbeef271a PK$NUM_PEAK: 13 PK$PEAK: m/z int. rel.int. 35.100 44554.5 6 59.200 717822.5 103 60.200 217822.0 31 65.900 79208.0 11 66.900 89109.0 13 88.100 118812.0 17 89.500 19802.0 3 93.200 14851.5 2 107.900 6990106.0 999 116.400 49505.0 7 133.800 24752.5 4 136.800 74257.5 11 152.100 2683171.0 383 //