ACCESSION: MSBNK-EPA-ENTACT_AGILENT000396
RECORD_TITLE: Methyl glyoxal; ESI-QTOF; MS2; CE: 20; [M+H]+
DATE: 2023.05.02
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: Methyl glyoxal
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₃H₄O₂
CH$EXACT_MASS: 72.0211293722
CH$SMILES: CC(=O)C=O
CH$IUPAC: InChI=1S/C3H4O2/c1-3(5)2-4/h2H,1H3
CH$LINK: CAS 78-98-8
CH$LINK: INCHIKEY AIJULSRZWUXGPQ-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:880

AC$INSTRUMENT: N/A
AC$INSTRUMENT_TYPE: ESI-QTOF
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20

MS$FOCUSED_ION: PRECURSOR_M/Z 73.0284058239
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-0007-9000000000-24d9291e75e248df26fa
PK$NUM_PEAK: 7
PK$PEAK: m/z int. rel.int.
  29.038577 6.962207 69
  31.017841 13.669446 136
  39.022927 18.794419 187
  41.038577 19.256206 192
  43.017841 99.999997 999
  45.033491 89.752142 896
  57.033491 11.316363 113
//