ACCESSION: MSBNK-EPA-ENTACT_AGILENT001426
RECORD_TITLE: N-(4-Methoxyphenyl)-3-oxobutanamide; ESI-QTOF; MS2; CE: 10; [M+H]+
DATE: 2023.09.19
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: N-(4-Methoxyphenyl)-3-oxobutanamide
CH$NAME: DTXSID7044689
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₁H₁₃NO₃
CH$EXACT_MASS: 207.089543289
CH$SMILES: CC(=O)CC(=O)NC1C=CC(=CC=1)OC
CH$IUPAC: InChI=1S/C11H13NO3/c1-8(13)7-11(14)12-9-3-5-10(15-2)6-4-9/h3-6H,7H2,1-2H3,(H,12,14)
CH$LINK: CAS 5437-98-9
CH$LINK: INCHIKEY SWAJJKROCOJICG-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:21576

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$FOCUSED_ION: PRECURSOR_M/Z 208.0968197407
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-00di-1910000000-9cde7ccbfdb592517079
PK$NUM_PEAK: 11
PK$PEAK: m/z int. rel.int.
  43.017841 8.170301 81
  59.049141 11.308347 112
  85.028406 2.219315 22
  93.057301 1.131097 11
  122.06004 4.333747 43
  124.07569 99.999999 999
  124.112076 2.564908 25
  148.07569 2.943125 29
  150.054955 17.113412 170
  190.086255 8.218617 82
  208.09682 21.113717 210
//