ACCESSION: MSBNK-EPA-ENTACT_AGILENT001601
RECORD_TITLE: N-(2-Methoxyphenyl)-3-oxobutanamide; ESI-QTOF; MS2; CE: 10; [M-H]-
DATE: 2023.09.19
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: N-(2-Methoxyphenyl)-3-oxobutanamide
CH$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 NEGATIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10

MS$FOCUSED_ION: PRECURSOR_M/Z 206.0822668373
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-053r-9200000000-60f7b05bda03a960f8aa
PK$NUM_PEAK: 8
PK$PEAK: m/z int. rel.int.
  41.003288 1.055857 10
  57.034588 30.603625 305
  83.013853 100.000004 999
  83.050238 2.218722 22
  83.058792 1.178789 11
  107.037662 22.012885 219
  122.061137 17.30778 172
  206.082267 12.076403 120
//