MassBank Record: KO000194



 4-Aminosalicylic acid; LC-ESI-QQ; MS2; CE:50 V; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO000194
RECORD_TITLE: 4-Aminosalicylic acid; LC-ESI-QQ; MS2; CE:50 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 50 V
MS$FOCUSED_ION: PRECURSOR_M/Z 152 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-00ku-9000000000-58cccd83d40f8fade4dc PK$NUM_PEAK: 9 PK$PEAK: m/z int. rel.int. 39.800 128713.0 999 40.500 34653.5 269 41.900 29703.0 231 45.600 19802.0 154 65.700 59406.0 461 66.900 19802.0 154 74.100 9901.0 77 91.900 24752.5 192 107.800 14851.5 115 //