MassBank Record: KO000974



 4-Hydroxyphenylpyruvic acid; LC-ESI-QQ; MS2; CE:20 V; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO000974
RECORD_TITLE: 4-Hydroxyphenylpyruvic acid; LC-ESI-QQ; MS2; CE:20 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 20 V
MS$FOCUSED_ION: PRECURSOR_M/Z 179 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-0a4i-2900000000-ad1f1fabdf6b1579fff7 PK$NUM_PEAK: 21 PK$PEAK: m/z int. rel.int. 58.800 113861.5 41 73.000 29703.0 11 89.500 84158.5 30 91.700 84158.5 30 92.400 64356.5 23 97.100 1272278.5 453 101.100 89109.0 32 105.200 178218.0 63 106.000 74257.5 26 107.200 2806933.5 999 114.600 39604.0 14 117.300 59406.0 21 118.700 34653.5 12 119.800 277228.0 99 120.400 113861.5 41 132.600 14851.5 5 134.800 460396.5 164 135.800 89109.0 32 151.000 54455.5 19 177.000 19802.0 7 178.900 712872.0 254 //