MassBank Record: MSBNK-EPA-ENTACT_AGILENT001599
ACCESSION: MSBNK-EPA-ENTACT_AGILENT001599
RECORD_TITLE: N-(2-Methoxyphenyl)-3-oxobutanamide; ESI-QTOF; MS2; CE: 20; [M-H]-
DATE: 2023.09.19
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY
CH$NAME: N-(2-Methoxyphenyl)-3-oxobutanamide
CH$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$MASS_SPECTROMETRY: COLLISION_ENERGY 20
MS$FOCUSED_ION: PRECURSOR_M/Z 206.0822668373
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0
PK$SPLASH: splash10-0a59-9600000000-3669677243f4123f7e17
PK$NUM_PEAK: 8
PK$PEAK: m/z int. rel.int.
41.003288 8.184312 81
57.034588 37.915848 378
83.013853 100.000001 999
83.050238 2.149866 21
83.058792 1.032051 10
107.037662 92.12136 920
107.074048 1.627258 16
122.061137 8.806009 87
//
system version 2.2.8-SNAPSHOT