MassBank Record: KO000574



 Gentisic acid; LC-ESI-QQ; MS2; CE:10 V; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO000574
RECORD_TITLE: Gentisic acid; LC-ESI-QQ; MS2; CE:10 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 D040

CH$NAME: 2,5-Dihydroxybenzoate CH$NAME: Hydroquinonecarboxylic acid CH$NAME: Gentisate CH$NAME: Gentisic acid CH$COMPOUND_CLASS: N/A CH$FORMULA: C7H6O4 CH$EXACT_MASS: 154.02661 CH$SMILES: Oc(c1)cc(C(O)=O)c(O)c1 CH$IUPAC: InChI=1S/C7H6O4/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,8-9H,(H,10,11) CH$LINK: CAS 490-79-9 CH$LINK: CHEBI 17189 CH$LINK: KEGG C00628 CH$LINK: NIKKAJI J6.046A CH$LINK: PUBCHEM SID:3901
AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V
MS$FOCUSED_ION: PRECURSOR_M/Z 153 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-0udi-0900000000-e3a62163a69461ab2cff PK$NUM_PEAK: 6 PK$PEAK: m/z int. rel.int. 59.000 242574.5 8 93.100 89109.0 3 95.200 64356.5 2 107.900 103960.5 3 109.400 965347.5 30 152.900 32128745.0 999 //