MassBank Record: MSBNK-Keio_Univ-KO001591
ACCESSION: MSBNK-Keio_Univ-KO001591
RECORD_TITLE: Pyruvic 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 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$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V
MS$FOCUSED_ION: PRECURSOR_M/Z 87
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-000i-9000000000-f09d8e3d7a774b255d89
PK$NUM_PEAK: 3
PK$PEAK: m/z int. rel.int.
43.100 1207922.0 413
57.200 14851.5 5
87.100 2920795.0 999
//