ACCESSION: MSBNK-EPA-ENTACT_AGILENT001184
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 NEGATIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20

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$SPLASH: splash10-0a59-9300000000-b09bab4a7da6dc91bd2c
PK$NUM_PEAK: 10
PK$PEAK: m/z int. rel.int.
  39.024024 1.202118 12
  41.003288 11.495023 114
  57.034588 89.775681 896
  57.058398 1.418258 14
  83.013853 99.999999 999
  83.050238 1.492139 14
  84.021678 1.135897 11
  107.037662 83.598995 835
  107.074048 1.058247 10
  136.076788 2.849925 28
//