ACCESSION: MSBNK-EPA-ENTACT_AGILENT001825
RECORD_TITLE: N-(2,4-Dimethylphenyl)-3-oxobutanamide; ESI-QTOF; MS2; CE: 10; [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 10

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$SPLASH: splash10-00di-1910000000-9c45d69cea49c4684106
PK$NUM_PEAK: 9
PK$PEAK: m/z int. rel.int.
  43.017841 10.55095 105
  59.049141 10.358309 103
  85.028406 1.176589 11
  120.080776 1.434794 14
  122.096426 100.000001 999
  146.096426 1.920167 19
  148.07569 30.491618 304
  188.10699 6.480725 64
  206.117555 23.254331 232
//