MassBank Record: MSBNK-EPA-ENTACT_AGILENT001600

N-(2-Methoxyphenyl)-3-oxobutanamide; ESI-QTOF; MS2; CE: 40; [M-H]-

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ACCESSION: MSBNK-EPA-ENTACT_AGILENT001600
RECORD_TITLE: N-(2-Methoxyphenyl)-3-oxobutanamide; ESI-QTOF; MS2; CE: 40; [M-H]-
DATE: 2023.09.19
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

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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

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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 40

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

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PK$SPLASH: splash10-0a4i-9700000000-d108a2e527421c2628e3
PK$NUM_PEAK: 6
PK$PEAK: m/z int. rel.int.
  39.024024 2.275025 22
  41.003288 43.631005 435
  57.034588 38.476982 384
  83.013853 36.230925 361
  107.037662 100.000003 999
  107.074048 1.751649 17
//