ACCESSION: MSBNK-EPA-ENTACT_AGILENT001821
RECORD_TITLE: N-(2,4-Dimethylphenyl)-3-oxobutanamide; ESI-QTOF; MS2; CE: 20; [M+H]+
DATE: 2023.09.19
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: N-(2,4-Dimethylphenyl)-3-oxobutanamide
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₂H₁₅NO₂
CH$EXACT_MASS: 205.1102787305
CH$SMILES: CC(=O)CC(=O)NC1=CC=C(C)C=C1C
CH$IUPAC: InChI=1S/C12H15NO2/c1-8-4-5-11(9(2)6-8)13-12(15)7-10(3)14/h4-6H,7H2,1-3H3,(H,13,15)
CH$LINK: CAS 97-36-9
CH$LINK: INCHIKEY HGVIAKXYAZRSEG-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:222464

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$FOCUSED_ION: PRECURSOR_M/Z 206.1175551822
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-00di-2900000000-9464220e714b4e7b4845
PK$NUM_PEAK: 13
PK$PEAK: m/z int. rel.int.
  43.017841 34.411075 343
  59.049141 10.776937 107
  77.038577 1.257203 12
  79.054227 1.455958 14
  85.028406 3.718611 37
  103.054227 1.013764 10
  105.069877 9.885986 98
  107.072951 10.404118 103
  120.080776 19.624911 196
  122.096426 100.000003 999
  146.096426 5.528546 55
  148.07569 18.378215 183
  188.10699 1.831534 18
//