ACCESSION: MSBNK-EPA-ENTACT_AGILENT000811
RECORD_TITLE: N,N-Dimethylacetoacetamide; ESI-QTOF; MS2; CE: 40; [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 40

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$SPLASH: splash10-0006-9000000000-b0c1c9df4f60e037afcb
PK$NUM_PEAK: 9
PK$PEAK: m/z int. rel.int.
  41.038577 3.246004 32
  42.033826 6.170906 61
  43.017841 100.000003 999
  44.049476 11.433598 114
  45.057301 1.117085 11
  46.065126 54.727984 546
  56.01309 14.486739 144
  72.04439 47.276765 472
  85.028406 1.401569 14
//