MassBank Record: KO000999



 m-Hydroxybenzoic acid; LC-ESI-QQ; MS2; CE:20 V; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO000999
RECORD_TITLE: m-Hydroxybenzoic acid; LC-ESI-QQ; MS2; CE:20 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$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V
MS$FOCUSED_ION: PRECURSOR_M/Z 137 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-0006-9200000000-3ab18be5287b6641a69d PK$NUM_PEAK: 22 PK$PEAK: m/z int. rel.int. 45.300 133663.5 27 59.000 381188.5 76 59.900 14851.5 3 70.900 24752.5 5 77.400 19802.0 4 82.300 49505.0 10 85.000 24752.5 5 91.100 19802.0 4 93.200 5014856.5 999 99.600 29703.0 6 99.900 49505.0 10 102.100 138614.0 28 115.200 138614.0 28 119.200 39604.0 8 123.000 29703.0 6 127.600 54455.5 11 128.100 54455.5 11 129.800 19802.0 4 137.000 801981.0 160 143.100 49505.0 10 146.200 133663.5 27 158.300 69307.0 14 //