ACCESSION: MSBNK-EPA-ENTACT_AGILENT002479
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 NEGATIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10

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$SPLASH: splash10-0a4i-9000000000-2e76d6aa02b17538810e
PK$NUM_PEAK: 5
PK$PEAK: m/z int. rel.int.
  41.003288 2.662484 26
  57.034588 100.000001 999
  57.058398 2.206608 22
  72.045487 2.330768 23
  114.056052 10.713623 107
//