ACCESSION: MSBNK-EPA-ENTACT_AGILENT000075
RECORD_TITLE: Diacetone acrylamide; ESI-QTOF; MS2; CE: 40; [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 40

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$SPLASH: splash10-052f-9000000000-32540abe4b68245f0818
PK$NUM_PEAK: 18
PK$PEAK: m/z int. rel.int.
  39.022927 1.718382 17
  41.038577 17.216821 171
  43.017841 100.000002 999
  43.041651 2.334251 23
  43.054227 1.737384 17
  44.01309 4.116693 41
  53.038577 16.126197 161
  54.033826 2.082962 20
  55.017841 73.676294 736
  55.041651 1.420097 14
  55.054227 2.693379 26
  58.065126 31.050597 310
  65.038577 1.564837 15
  72.04439 9.502357 94
  77.038577 4.341355 43
  79.054227 15.437733 154
  81.069877 6.341734 63
  99.080441 1.51441 15
//