MassBank Record: KO000965



 4-Hydroxybenzoic acid; LC-ESI-QQ; MS2; CE:30 V; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO000965
RECORD_TITLE: 4-Hydroxybenzoic acid; LC-ESI-QQ; MS2; CE:30 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$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V
MS$FOCUSED_ION: PRECURSOR_M/Z 137 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-0a4i-9000000000-e80d9637393e63e2d07c PK$NUM_PEAK: 19 PK$PEAK: m/z int. rel.int. 34.800 9901.0 1 45.200 2628715.5 25 47.200 108911.0 1 57.000 133663.5 1 59.100 103272380.5 999 60.200 806931.5 8 61.200 94059.5 1 65.200 361386.5 3 70.900 59406.0 1 73.200 103960.5 1 74.900 504951.0 5 77.100 188119.0 2 79.000 3059409.0 30 87.200 34653.5 1 93.100 30975278.5 300 97.000 366337.0 4 100.900 24752.5 1 109.100 19802.0 1 137.500 39604.0 1 //