ACCESSION: MSBNK-EPA-ENTACT_AGILENT001603
RECORD_TITLE: N-(2-Methoxyphenyl)-3-oxobutanamide; ESI-QTOF; MS2; CE: 20; [M+H]+
DATE: 2023.09.19
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: N-(2-Methoxyphenyl)-3-oxobutanamide
CH$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 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$SPLASH: splash10-00di-2900000000-a09c3fe3c120811ca9c5
PK$NUM_PEAK: 13
PK$PEAK: m/z int. rel.int.
  43.017841 33.513555 334
  59.049141 2.148745 21
  77.038577 1.151526 11
  85.028406 5.02002 50
  92.049476 2.51358 25
  94.065126 3.089509 30
  109.052215 25.301199 252
  122.06004 4.534018 45
  124.07569 100.000001 999
  135.03148 2.789204 27
  148.07569 6.558521 65
  150.054955 19.293776 192
  190.086255 1.054835 10
//