MassBank Record: KO000963



 4-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: KO000963
RECORD_TITLE: 4-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 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$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V
MS$FOCUSED_ION: PRECURSOR_M/Z 137 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-0a4r-9800000000-9e7208bfb79f9cca336b PK$NUM_PEAK: 34 PK$PEAK: m/z int. rel.int. 45.200 3356439.0 14 55.000 44554.5 1 58.200 292079.5 1 59.200 232213103.5 999 59.800 133663.5 1 61.100 816832.5 4 63.900 49505.0 1 64.700 29703.0 1 68.700 79208.0 1 73.200 178218.0 1 74.900 1059407.0 5 77.100 4282182.5 18 79.100 2717824.5 12 81.400 9901.0 1 86.900 465347.0 2 89.400 128713.0 1 90.100 69307.0 1 91.000 950496.0 4 93.200 13737637.5 59 96.900 311881.5 1 99.200 133663.5 1 101.400 900991.0 4 105.200 2549507.5 11 106.900 103960.5 1 118.500 1301981.5 6 119.100 60138674.0 259 129.200 336634.0 1 137.100 169846704.5 731 159.200 39604.0 1 168.800 9901.0 1 176.800 79208.0 1 195.200 1940596.0 8 196.100 94059.5 1 199.000 113861.5 1 //