MassBank Record: KO000966



 4-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: KO000966
RECORD_TITLE: 4-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 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$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V
MS$FOCUSED_ION: PRECURSOR_M/Z 137 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-0a4i-9000000000-a8befcaa45eced4a9a51 PK$NUM_PEAK: 18 PK$PEAK: m/z int. rel.int. 33.200 34653.5 1 39.300 69307.0 2 40.900 69307.0 2 45.000 1361387.5 40 46.900 84158.5 2 54.500 24752.5 1 57.500 49505.0 1 59.100 33638647.5 999 59.900 356436.0 11 61.000 39604.0 1 65.000 836634.5 25 73.200 19802.0 1 74.900 262376.5 8 76.900 24752.5 1 79.300 1945546.5 58 92.400 64356.5 2 93.100 12212883.5 363 97.400 49505.0 1 //