ACCESSION: MSBNK-EPA-ENTACT_AGILENT001182
RECORD_TITLE: N-(4-Ethoxyphenyl)-3-oxobutanamide; ESI-QTOF; MS2; CE: 20; [M+H]+
DATE: 2023.09.19
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: N-(4-Ethoxyphenyl)-3-oxobutanamide
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₂H₁₅NO₃
CH$EXACT_MASS: 221.1051933528
CH$SMILES: CC(=O)CC(=O)NC1C=CC(=CC=1)OCC
CH$IUPAC: InChI=1S/C12H15NO3/c1-3-16-11-6-4-10(5-7-11)13-12(15)8-9(2)14/h4-7H,3,8H2,1-2H3,(H,13,15)
CH$LINK: CAS 122-82-7
CH$LINK: INCHIKEY WWROGCAUSKGAMX-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:61053

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$FOCUSED_ION: PRECURSOR_M/Z 222.1124698045
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-000i-2900000000-1ebeba1c1869fe2894e3
PK$NUM_PEAK: 13
PK$PEAK: m/z int. rel.int.
  43.017841 19.396354 193
  59.049141 11.728528 117
  85.028406 4.086429 40
  93.033491 1.194137 11
  108.04439 7.410982 74
  109.052215 1.367145 13
  110.06004 14.703048 146
  136.07569 10.16063 101
  137.083515 1.099118 10
  138.09134 99.999997 999
  162.09134 5.284525 52
  164.070605 6.084748 60
  204.101905 1.636198 16
//