ACCESSION: MSBNK-EPA-ENTACT_AGILENT000812
RECORD_TITLE: N,N-Dimethylacetoacetamide; ESI-QTOF; MS2; CE: 20; [M+H]+
DATE: 2023.05.02
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: N,N-Dimethylacetoacetamide
CH$NAME: DTXSID8027454
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₆H₁₁NO₂
CH$EXACT_MASS: 129.0789786029
CH$SMILES: CC(=O)CC(=O)N(C)C
CH$IUPAC: InChI=1S/C6H11NO2/c1-5(8)4-6(9)7(2)3/h4H2,1-3H3
CH$LINK: CAS 2044-64-6
CH$LINK: INCHIKEY YPEWWOUWRRQBAX-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:16278

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$FOCUSED_ION: PRECURSOR_M/Z 130.0862550546
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-00dm-9000000000-b5e92dc3aea42dbb47b0
PK$NUM_PEAK: 8
PK$PEAK: m/z int. rel.int.
  43.017841 77.493937 774
  43.041651 1.069051 10
  46.065126 78.275717 781
  70.065126 2.767863 27
  72.04439 100.000001 999
  85.028406 3.738528 37
  88.07569 1.134851 11
  130.086255 4.178021 41
//