MassBank Record: MSBNK-EPA-ENTACT_AGILENT001821
ACCESSION: MSBNK-EPA-ENTACT_AGILENT001821
RECORD_TITLE: N-(2,4-Dimethylphenyl)-3-oxobutanamide; ESI-QTOF; MS2; CE: 20; [M+H]+
DATE: 2023.09.19
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY
CH$NAME: N-(2,4-Dimethylphenyl)-3-oxobutanamide
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C12H15NO2
CH$EXACT_MASS: 205.1102787305
CH$SMILES: CC(=O)CC(=O)NC1=CC=C(C)C=C1C
CH$IUPAC: InChI=1S/C12H15NO2/c1-8-4-5-11(9(2)6-8)13-12(15)7-10(3)14/h4-6H,7H2,1-3H3,(H,13,15)
CH$LINK: CAS
97-36-9
CH$LINK: INCHIKEY
HGVIAKXYAZRSEG-UHFFFAOYSA-N
CH$LINK: PUBCHEM
CID:222464
AC$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 206.1175551822
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0
PK$SPLASH: splash10-00di-2900000000-9464220e714b4e7b4845
PK$NUM_PEAK: 13
PK$PEAK: m/z int. rel.int.
43.017841 34.411075 343
59.049141 10.776937 107
77.038577 1.257203 12
79.054227 1.455958 14
85.028406 3.718611 37
103.054227 1.013764 10
105.069877 9.885986 98
107.072951 10.404118 103
120.080776 19.624911 196
122.096426 100.000003 999
146.096426 5.528546 55
148.07569 18.378215 183
188.10699 1.831534 18
//
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