ACCESSION: MSBNK-Keio_Univ-KO001590
RECORD_TITLE: Pyruvic 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 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
CH$LINK: INCHIKEY LCTONWCANYUPML-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID2021650

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$FOCUSED_ION: PRECURSOR_M/Z 87
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-

PK$SPLASH: splash10-000i-9000000000-dd49835da8355fb6e625
PK$NUM_PEAK: 7
PK$PEAK: m/z int. rel.int.
  41.200 34653.5 1
  43.200 2945547.5 24
  57.900 74257.5 1
  59.200 163366.5 1
  69.400 24752.5 1
  86.200 99010.0 1
  87.100 122034775.5 999
//