ACCESSION: MSBNK-EPA-ENTACT_AGILENT002476
RECORD_TITLE: N-Methylacetoacetamide; ESI-QTOF; MS2; CE: 40; [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 40

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$SPLASH: splash10-0006-9000000000-5d1d3d068c465a95c2c1
PK$NUM_PEAK: 13
PK$PEAK: m/z int. rel.int.
  32.049476 2.208524 22
  39.022927 2.093267 20
  41.026001 1.198558 11
  41.038577 1.553272 15
  43.017841 99.999995 999
  43.041651 1.806357 18
  43.054227 1.259831 12
  45.033491 1.104685 11
  55.054227 1.236538 12
  56.049476 2.351333 23
  58.02874 17.722555 177
  70.065126 4.223197 42
  85.028406 2.112373 21
//