MassBank Record: KO000193



 4-Aminosalicylic 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: KO000193
RECORD_TITLE: 4-Aminosalicylic 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 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 40 V
MS$FOCUSED_ION: PRECURSOR_M/Z 152 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-066r-9200000000-e029b385a8c32e95b6b7 PK$NUM_PEAK: 9 PK$PEAK: m/z int. rel.int. 35.100 49505.0 101 40.100 178218.0 363 59.300 163366.5 333 59.700 34653.5 71 66.100 490099.5 999 67.000 133663.5 272 89.700 64356.5 131 92.100 34653.5 71 107.800 287129.0 585 //