ACCESSION: MSBNK-EPA-ENTACT_AGILENT002475
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 NEGATIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40

MS$FOCUSED_ION: PRECURSOR_M/Z 114.0560520874
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-0006-9000000000-dc321cebe0886ce7d960
PK$NUM_PEAK: 14
PK$PEAK: m/z int. rel.int.
  38.003623 4.2733 42
  39.011448 1.608717 16
  39.024024 7.190014 71
  39.995463 1.343358 13
  40.019273 6.449778 64
  41.003288 99.999997 999
  41.027098 1.749393 17
  41.998537 3.392775 33
  54.034923 1.942771 19
  57.034588 29.336824 293
  65.998537 10.255579 102
  67.006362 2.208958 22
  82.029837 1.528934 15
  83.013853 2.275098 22
//