MassBank Record: KO000964



 4-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: KO000964
RECORD_TITLE: 4-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 H005

CH$NAME: p-Hydroxybenzoate CH$NAME: Hydroxybenzenecarboxylic acid CH$NAME: 4-Hydroxybenzoic acid CH$NAME: Hydroxybenzoic acid CH$NAME: 4-Hydroxybenzoate CH$COMPOUND_CLASS: N/A CH$FORMULA: C7H6O3 CH$EXACT_MASS: 138.03169 CH$SMILES: Oc(c1)ccc(c1)C(O)=O CH$IUPAC: InChI=1S/C7H6O3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H,(H,9,10) CH$LINK: CAS 99-96-7 CH$LINK: CHEBI 30763 CH$LINK: CHEMPDB PHB CH$LINK: KEGG C00156 CH$LINK: NIKKAJI J43.201F CH$LINK: PUBCHEM SID:3456
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: splash10-0a4i-9000000000-1ed6d8123d44d126ed64 PK$NUM_PEAK: 34 PK$PEAK: m/z int. rel.int. 34.800 29703.0 1 37.000 39604.0 1 41.900 29703.0 1 42.500 14851.5 1 45.100 3782182.0 18 45.800 44554.5 1 46.800 113861.5 1 57.000 158416.0 1 57.900 84158.5 1 59.100 207574465.0 999 59.900 995050.5 5 61.300 420792.5 2 65.700 34653.5 1 71.400 34653.5 1 72.900 148515.0 1 75.100 1247526.0 6 77.000 1564358.0 8 79.000 3272280.5 16 81.300 34653.5 1 85.000 64356.5 1 87.100 346535.0 2 88.800 79208.0 1 92.100 74257.5 1 93.100 64876302.5 312 94.400 9901.0 1 97.100 950496.0 5 99.400 212871.5 1 100.800 405941.0 2 128.800 217822.0 1 130.500 19802.0 1 137.100 8386147.0 40 138.900 74257.5 1 158.900 14851.5 1 195.400 89109.0 1 //