ACCESSION: MSBNK-EPA-ENTACT_AGILENT001185
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 NEGATIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10

MS$FOCUSED_ION: PRECURSOR_M/Z 220.0979169011
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-0a59-9110000000-31656b91e4a3a1ac6138
PK$NUM_PEAK: 9
PK$PEAK: m/z int. rel.int.
  41.003288 3.090251 30
  57.034588 99.999997 999
  57.058398 1.741308 17
  83.013853 97.134469 970
  83.050238 1.492218 14
  107.037662 31.038821 310
  136.076788 5.180879 51
  191.058792 5.307871 53
  220.097917 42.089019 420
//