MassBank Record: MSBNK-EPA-ENTACT_AGILENT001603
ACCESSION: MSBNK-EPA-ENTACT_AGILENT001603
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$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20
MS$FOCUSED_ION: PRECURSOR_M/Z 208.0968197407
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0
PK$SPLASH: splash10-00di-2900000000-a09c3fe3c120811ca9c5
PK$NUM_PEAK: 13
PK$PEAK: m/z int. rel.int.
43.017841 33.513555 334
59.049141 2.148745 21
77.038577 1.151526 11
85.028406 5.02002 50
92.049476 2.51358 25
94.065126 3.089509 30
109.052215 25.301199 252
122.06004 4.534018 45
124.07569 100.000001 999
135.03148 2.789204 27
148.07569 6.558521 65
150.054955 19.293776 192
190.086255 1.054835 10
//
system version 2.2.8-SNAPSHOT