MassBank Record: MSBNK-EPA-ENTACT_AGILENT000394

Methyl glyoxal; ESI-QTOF; MS2; CE: 40; [M+H]+

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ACCESSION: MSBNK-EPA-ENTACT_AGILENT000394
RECORD_TITLE: Methyl glyoxal; ESI-QTOF; MS2; CE: 40; [M+H]+
DATE: 2023.05.02
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

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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

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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 40

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

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PK$SPLASH: splash10-0006-9000000000-e8e9ce5a425ada71f600
PK$NUM_PEAK: 9
PK$PEAK: m/z int. rel.int.
  29.002191 1.207048 12
  31.017841 2.958252 29
  38.015101 1.576223 15
  39.022927 13.634355 136
  41.038577 1.625508 16
  42.010016 4.764394 47
  43.017841 100.000001 999
  45.033491 9.423801 94
  57.033491 5.074121 50
//