ACCESSION: MSBNK-EPA-ENTACT_AGILENT000074
RECORD_TITLE: Diacetone acrylamide; ESI-QTOF; MS2; CE: 10; [M+H]+
DATE: 2023.05.02
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: Diacetone acrylamide
CH$NAME: DTXSID1024916
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₉H₁₅NO₂
CH$EXACT_MASS: 169.1102787305
CH$SMILES: CC(=O)CC(C)(C)NC(=O)C=C
CH$IUPAC: InChI=1S/C9H15NO2/c1-5-8(12)10-9(3,4)6-7(2)11/h5H,1,6H2,2-4H3,(H,10,12)
CH$LINK: CAS 2873-97-4
CH$LINK: INCHIKEY OMNKZBIFPJNNIO-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:17888

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$FOCUSED_ION: PRECURSOR_M/Z 170.1175551822
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-0002-9000000000-e54355b3148b79b3cf64
PK$NUM_PEAK: 10
PK$PEAK: m/z int. rel.int.
  43.017841 13.289028 132
  55.017841 3.596486 35
  58.065126 10.871682 108
  72.04439 48.438832 483
  72.080776 1.033717 10
  81.069877 1.439741 14
  99.080441 99.999998 999
  99.116827 2.368159 23
  112.07569 10.221352 102
  170.117555 6.325642 63
//