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MassBank Record: KO001593

Pyruvic acid; LC-ESI-QQ; MS2; CE:40 V; [M-H]-

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: KO001593
RECORD_TITLE: Pyruvic 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 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 40 V

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

PK$SPLASH: splash10-0006-9000000000-8ae98cdb3e142034e52a
PK$NUM_PEAK: 2
PK$PEAK: m/z int. rel.int.
  41.000 59406.0 999
  42.300 19802.0 333
//

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