ACCESSION: MSBNK-EPA-ENTACT_AGILENT001602
RECORD_TITLE: N-(2-Methoxyphenyl)-3-oxobutanamide; ESI-QTOF; MS2; CE: 40; [M+H]+
DATE: 2023.09.19
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: N-(2-Methoxyphenyl)-3-oxobutanamide
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₁H₁₃NO₃
CH$EXACT_MASS: 207.089543289
CH$SMILES: CC(=O)CC(=O)NC1C=CC=CC=1OC
CH$IUPAC: InChI=1S/C11H13NO3/c1-8(13)7-11(14)12-9-5-3-4-6-10(9)15-2/h3-6H,7H2,1-2H3,(H,12,14)
CH$LINK: CAS 92-15-9
CH$LINK: INCHIKEY KYYRTDXOHQYZPO-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:7078

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 40

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$SPLASH: splash10-0a4l-9700000000-a064ceeb5080ed3e70f2
PK$NUM_PEAK: 26
PK$PEAK: m/z int. rel.int.
  39.022927 1.174862 11
  41.038577 1.373475 13
  43.017841 67.666098 675
  43.041651 1.716082 17
  43.054227 1.289494 12
  59.049141 1.872105 18
  63.022927 1.191185 11
  65.038577 19.133545 191
  67.054227 1.408852 14
  77.038577 12.863947 128
  79.041651 7.166901 71
  80.049476 7.86944 78
  81.057301 3.197174 31
  85.028406 1.367733 13
  91.041651 3.44347 34
  92.025666 1.135608 11
  92.049476 14.587729 145
  93.057301 1.626434 16
  94.065126 4.533892 45
  107.036565 1.994386 19
  108.04439 2.461182 24
  109.052215 99.999998 999
  109.088601 2.536672 25
  124.07569 7.04824 70
  135.03148 5.029228 50
  150.054955 1.195244 11
//