MassBank Record: KO000192



 4-Aminosalicylic acid; LC-ESI-QQ; MS2; CE:30 V; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO000192
RECORD_TITLE: 4-Aminosalicylic acid; LC-ESI-QQ; MS2; CE:30 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 30 V
MS$FOCUSED_ION: PRECURSOR_M/Z 152 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-0a4i-5900000000-09273d1390d26a8def2d PK$NUM_PEAK: 14 PK$PEAK: m/z int. rel.int. 35.000 103960.5 36 40.200 99010.0 34 41.000 19802.0 7 59.300 371287.5 129 59.900 64356.5 22 65.000 34653.5 12 66.300 559406.5 194 66.900 306931.0 106 89.900 64356.5 22 93.000 54455.5 19 108.200 2886141.5 999 122.400 24752.5 9 137.000 19802.0 7 151.800 34653.5 12 //