ACCESSION: MSBNK-EPA-ENTACT_AGILENT001425
RECORD_TITLE: N-(4-Methoxyphenyl)-3-oxobutanamide; ESI-QTOF; MS2; CE: 20; [M+H]+
DATE: 2023.09.19
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: N-(4-Methoxyphenyl)-3-oxobutanamide
CH$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 20

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$SPLASH: splash10-00di-4900000000-caeb68c7f6929422c456
PK$NUM_PEAK: 13
PK$PEAK: m/z int. rel.int.
  43.017841 32.45005 324
  59.049141 12.632191 126
  85.028406 5.724983 57
  92.049476 6.209579 62
  93.057301 7.213755 72
  109.052215 3.069222 30
  121.064791 1.442304 14
  122.06004 24.199044 241
  124.07569 100 999
  124.112076 2.185197 21
  148.07569 4.837742 48
  150.054955 6.081925 60
  190.086255 1.527432 15
//