MassBank Record: KO000976



 4-Hydroxyphenylpyruvic 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: KO000976
RECORD_TITLE: 4-Hydroxyphenylpyruvic 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 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 40 V
MS$FOCUSED_ION: PRECURSOR_M/Z 179 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-0002-9100000000-7d75e23ae6944c1e9c6d PK$NUM_PEAK: 11 PK$PEAK: m/z int. rel.int. 58.800 143564.5 225 78.800 79208.0 124 80.000 94059.5 147 89.500 29703.0 46 92.000 297030.0 465 93.200 29703.0 46 97.000 638614.5 999 105.000 14851.5 23 117.100 24752.5 39 134.100 89109.0 139 135.000 84158.5 132 //