ACCESSION: MSBNK-EPA-ENTACT_AGILENT001823
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 NEGATIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20

MS$FOCUSED_ION: PRECURSOR_M/Z 204.1030022788
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-05ai-9200000000-1ce28177d64ad67c3832
PK$NUM_PEAK: 7
PK$PEAK: m/z int. rel.int.
  41.003288 9.607725 95
  57.034588 91.272357 911
  57.058398 2.248149 22
  57.079527 1.17789 11
  83.013853 100.000001 999
  83.050238 2.30969 23
  120.081873 64.107621 640
//