ACCESSION: MSBNK-EPA-ENTACT_AGILENT000073
RECORD_TITLE: Diacetone acrylamide; ESI-QTOF; MS2; CE: 20; [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 20

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$SPLASH: splash10-0595-9000000000-71e0403da27e0d1708e1
PK$NUM_PEAK: 14
PK$PEAK: m/z int. rel.int.
  41.038577 1.555001 15
  43.017841 87.761696 876
  43.041651 1.98981 19
  43.054227 1.486665 14
  53.038577 2.973312 29
  55.017841 39.295014 392
  58.065126 39.539304 394
  72.04439 80.250307 801
  72.080776 1.487318 14
  79.054227 11.08273 110
  81.069877 20.452794 204
  99.080441 99.999999 999
  99.116827 1.996256 19
  112.07569 1.056734 10
//