MassBank Record: KO001594



 Pyruvic acid; LC-ESI-QQ; MS2; CE:50 V; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO001594
RECORD_TITLE: Pyruvic acid; LC-ESI-QQ; MS2; CE:50 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 P027

CH$NAME: Pyruvate CH$NAME: Pyruvic acid CH$NAME: 2-Oxopropanoic acid CH$NAME: Pyroracemic acid CH$NAME: 2-Oxopropanoate CH$COMPOUND_CLASS: N/A CH$FORMULA: C3H4O3 CH$EXACT_MASS: 88.01604 CH$SMILES: CC(=O)C(O)=O CH$IUPAC: InChI=1S/C3H4O3/c1-2(4)3(5)6/h1H3,(H,5,6) CH$LINK: CAS 127-17-3 CH$LINK: CHEBI 32816 CH$LINK: CHEMPDB PYR CH$LINK: KEGG C00022 CH$LINK: NIKKAJI J2.015J CH$LINK: PUBCHEM SID:3324
AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V
MS$FOCUSED_ION: PRECURSOR_M/Z 87 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-0006-9000000000-e04e6c68013983e1b6dc PK$NUM_PEAK: 1 PK$PEAK: m/z int. rel.int. 41.700 34653.5 999 //