MassBank Record: KO000975



 4-Hydroxyphenylpyruvic 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: KO000975
RECORD_TITLE: 4-Hydroxyphenylpyruvic 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 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 30 V
MS$FOCUSED_ION: PRECURSOR_M/Z 179 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-0005-9400000000-708e258e692a0abfbc92 PK$NUM_PEAK: 19 PK$PEAK: m/z int. rel.int. 57.200 29703.0 43 59.000 118812.0 171 73.000 69307.0 100 79.300 19802.0 29 88.800 24752.5 36 92.100 440594.5 635 93.000 29703.0 43 94.100 24752.5 36 97.200 693070.0 999 104.900 54455.5 78 107.200 39604.0 57 118.800 34653.5 50 119.900 94059.5 136 120.300 34653.5 50 133.700 118812.0 171 134.800 198020.0 285 151.300 69307.0 100 164.100 49505.0 71 178.900 39604.0 57 //