ACCESSION: MSBNK-EPA-ENTACT_AGILENT002480
RECORD_TITLE: N-Methylacetoacetamide; ESI-QTOF; MS2; CE: 10; [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 10

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$SPLASH: splash10-00kf-9200000000-5aa0dab1e6b9c465aa00
PK$NUM_PEAK: 15
PK$PEAK: m/z int. rel.int.
  32.049476 30.88465 308
  32.062052 1.269193 12
  43.017841 99.999997 999
  43.041651 1.636408 16
  43.054227 1.099776 10
  56.049476 4.229913 42
  58.02874 8.055417 80
  59.049141 39.049688 390
  70.065126 14.886156 148
  72.04439 1.088029 10
  74.06004 5.897554 58
  85.028406 23.585415 235
  98.06004 20.600297 205
  99.044056 1.819555 18
  116.070605 72.721213 726
//