MassBank Record: KO000998



 m-Hydroxybenzoic 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: KO000998
RECORD_TITLE: m-Hydroxybenzoic 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 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$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V
MS$FOCUSED_ION: PRECURSOR_M/Z 137 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-000i-0900000000-3af4e5d6be21011f5230 PK$NUM_PEAK: 21 PK$PEAK: m/z int. rel.int. 44.800 183168.5 8 45.400 19802.0 1 59.000 480198.5 20 76.700 19802.0 1 78.900 29703.0 1 93.000 1079209.0 45 96.800 9901.0 1 101.200 14851.5 1 107.100 44554.5 2 115.200 2034655.5 85 119.000 69307.0 3 128.200 133663.5 6 137.100 23975271.5 999 146.200 74257.5 3 153.000 19802.0 1 158.300 94059.5 4 185.300 19802.0 1 194.500 9901.0 1 197.500 9901.0 1 201.900 128713.0 5 215.300 59406.0 2 //