ACCESSION: MSBNK-EPA-ENTACT_AGILENT001186
RECORD_TITLE: N-(4-Ethoxyphenyl)-3-oxobutanamide; ESI-QTOF; MS2; CE: 10; [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 10

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$SPLASH: splash10-000i-1930000000-97cc8d26b4768d3d7ec5
PK$NUM_PEAK: 10
PK$PEAK: m/z int. rel.int.
  43.017841 3.768686 37
  59.049141 10.565735 105
  85.028406 1.62715 16
  110.06004 1.486563 14
  136.07569 2.640339 26
  138.09134 100.000004 999
  162.09134 1.648556 16
  164.070605 18.150679 181
  204.101905 7.780569 77
  222.11247 41.26723 412
//