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MassBank Record: KO000837

Glyoxylic acid; LC-ESI-QQ; MS2; CE:30 V; [M-H]-

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

ACCESSION: KO000837
RECORD_TITLE: Glyoxylic acid; LC-ESI-QQ; MS2; CE:30 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 G013

CH$NAME: Glyoxylate
CH$NAME: Glyoxalate
CH$NAME: Glyoxylic acid
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C2H2O3
CH$EXACT_MASS: 74.00039
CH$SMILES: O=CC(O)=O
CH$IUPAC: InChI=1S/C2H2O3/c3-1-2(4)5/h1H,(H,4,5)
CH$LINK: CAS 298-12-4
CH$LINK: CHEBI 16891
CH$LINK: KEGG C00048
CH$LINK: NIKKAJI J38.150K
CH$LINK: PUBCHEM SID:3350
CH$LINK: INCHIKEY HHLFWLYXYJOTON-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID5021594

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 30 V

MS$FOCUSED_ION: PRECURSOR_M/Z 73
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-

PK$SPLASH: splash10-00dl-9000000000-74b253632894213d473c
PK$NUM_PEAK: 2
PK$PEAK: m/z int. rel.int.
  44.800 49505.0 588
  73.100 84158.5 999
//

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