MassBank Record: KO000973



 4-Hydroxyphenylpyruvic 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: KO000973
RECORD_TITLE: 4-Hydroxyphenylpyruvic 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 H007

CH$NAME: p-Hydroxyphenylpyruvate CH$NAME: 3-(4-Hydroxyphenyl)pyruvate CH$NAME: p-Hydroxyphenylpyruvic acid CH$NAME: 4-Hydroxyphenylpyruvate CH$NAME: 4-Hydroxyphenylpyruvic acid CH$COMPOUND_CLASS: N/A CH$FORMULA: C9H8O4 CH$EXACT_MASS: 180.04226 CH$SMILES: OC(=O)C(=O)Cc(c1)ccc(O)c1 CH$IUPAC: InChI=1S/C9H8O4/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4,10H,5H2,(H,12,13) CH$LINK: CHEBI 15999 CH$LINK: KEGG C01179 CH$LINK: PUBCHEM SID:4406
AC$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$FOCUSED_ION: PRECURSOR_M/Z 179 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-004i-0900000000-2416d7f64101b9473cbb PK$NUM_PEAK: 15 PK$PEAK: m/z int. rel.int. 59.400 34653.5 1 89.000 94059.5 2 91.100 34653.5 1 96.900 806931.5 21 101.100 84158.5 2 104.700 138614.0 4 106.000 217822.0 6 107.100 13495063.0 349 114.700 34653.5 1 117.000 188119.0 5 118.400 49505.0 1 119.700 94059.5 2 120.900 148515.0 4 151.500 465347.0 12 179.200 38603999.0 999 //