ACCESSION: MSBNK-EPA-ENTACT_AGILENT001427
RECORD_TITLE: N-(4-Methoxyphenyl)-3-oxobutanamide; ESI-QTOF; MS2; CE: 40; [M+H]+
DATE: 2023.09.19
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: N-(4-Methoxyphenyl)-3-oxobutanamide
CH$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 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$SPLASH: splash10-0006-9200000000-5009d798ee18a0465955
PK$NUM_PEAK: 35
PK$PEAK: m/z int. rel.int.
  31.017841 1.268498 12
  39.022927 2.247652 22
  41.038577 4.477736 44
  43.017841 99.999995 999
  43.041651 2.228276 22
  51.022927 1.476577 14
  52.030752 1.223625 12
  53.026001 1.319253 13
  53.038577 2.236376 22
  59.049141 11.622302 116
  63.022927 1.202092 12
  64.030752 2.17025 21
  65.038577 15.97514 159
  66.046402 1.536465 15
  67.054227 4.662758 46
  77.038577 34.219979 341
  78.046402 1.460524 14
  79.041651 5.210792 52
  79.054227 3.168453 31
  80.049476 8.250981 82
  81.057301 22.705728 226
  85.028406 8.105451 80
  92.025666 14.915776 149
  92.049476 19.047035 190
  93.057301 76.649852 765
  94.062446 2.124055 21
  95.049141 44.66818 446
  107.036565 5.838408 58
  107.049141 3.110027 31
  108.04439 11.988737 119
  109.052215 20.133477 201
  121.064791 4.244314 42
  122.06004 56.638015 565
  123.067865 3.34633 33
  124.07569 15.387267 153
//