ACCESSION: MSBNK-EPA-ENTACT_AGILENT002477
RECORD_TITLE: N-Methylacetoacetamide; ESI-QTOF; MS2; CE: 20; [M+H]+
DATE: 2023.09.19
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: N-Methylacetoacetamide
CH$NAME: DTXSID9040138
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₅H₉NO₂
CH$EXACT_MASS: 115.0633285391
CH$SMILES: CC(=O)CC(=O)NC
CH$IUPAC: InChI=1S/C5H9NO2/c1-4(7)3-5(8)6-2/h3H2,1-2H3,(H,6,8)
CH$LINK: CAS 20306-75-6
CH$LINK: INCHIKEY ATWLCPHWYPSRBQ-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:88483

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$FOCUSED_ION: PRECURSOR_M/Z 116.0706049908
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-0006-9000000000-fa5562eafe92e1a92edf
PK$NUM_PEAK: 11
PK$PEAK: m/z int. rel.int.
  32.049476 8.497544 84
  41.038577 3.084935 30
  43.017841 99.999999 999
  43.041651 1.927204 19
  43.054227 1.162765 11
  56.049476 7.287229 72
  58.02874 23.23914 232
  59.049141 10.466774 104
  70.065126 8.050937 80
  85.028406 5.101915 50
  98.06004 2.631693 26
//