MassBank Record: KO001001



 m-Hydroxybenzoic 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: KO001001
RECORD_TITLE: m-Hydroxybenzoic 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 H019

CH$NAME: m-Hydroxybenzoate CH$NAME: 3-Hydroxybenzoate CH$NAME: m-Hydroxybenzoic acid CH$COMPOUND_CLASS: N/A CH$FORMULA: C7H6O3 CH$EXACT_MASS: 138.03169 CH$SMILES: OC(=O)c(c1)cc(O)cc1 CH$IUPAC: InChI=1S/C7H6O3/c8-6-3-1-2-5(4-6)7(9)10/h1-4,8H,(H,9,10) CH$LINK: CAS 99-06-9 CH$LINK: CHEBI 30764 CH$LINK: CHEMPDB 3HB CH$LINK: KEGG C00587 CH$LINK: NIKKAJI J43.202D CH$LINK: PUBCHEM SID:3866
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 137 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-0006-9000000000-7e857f89355a610eeaff PK$NUM_PEAK: 5 PK$PEAK: m/z int. rel.int. 44.800 69307.0 777 59.400 54455.5 611 93.100 89109.0 999 95.700 29703.0 333 101.900 14851.5 167 //