ACCESSION: MSBNK-EPA-ENTACT_AGILENT000395
RECORD_TITLE: Methyl glyoxal; ESI-QTOF; MS2; CE: 10; [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 10

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$SPLASH: splash10-0002-9000000000-f0c0f2578622ea20c7aa
PK$NUM_PEAK: 8
PK$PEAK: m/z int. rel.int.
  29.038577 4.494449 44
  31.017841 22.752028 227
  39.022927 18.184904 181
  41.038577 18.949069 189
  43.017841 14.062107 140
  44.997106 1.07871 10
  45.033491 99.999996 999
  57.033491 3.090141 30
//