MassBank Record: MSBNK-EPA-ENTACT_AGILENT001602
ACCESSION: MSBNK-EPA-ENTACT_AGILENT001602
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
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$MASS_SPECTROMETRY: COLLISION_ENERGY 40
MS$FOCUSED_ION: PRECURSOR_M/Z 208.0968197407
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0
PK$SPLASH: splash10-0a4l-9700000000-a064ceeb5080ed3e70f2
PK$NUM_PEAK: 26
PK$PEAK: m/z int. rel.int.
39.022927 1.174862 11
41.038577 1.373475 13
43.017841 67.666098 675
43.041651 1.716082 17
43.054227 1.289494 12
59.049141 1.872105 18
63.022927 1.191185 11
65.038577 19.133545 191
67.054227 1.408852 14
77.038577 12.863947 128
79.041651 7.166901 71
80.049476 7.86944 78
81.057301 3.197174 31
85.028406 1.367733 13
91.041651 3.44347 34
92.025666 1.135608 11
92.049476 14.587729 145
93.057301 1.626434 16
94.065126 4.533892 45
107.036565 1.994386 19
108.04439 2.461182 24
109.052215 99.999998 999
109.088601 2.536672 25
124.07569 7.04824 70
135.03148 5.029228 50
150.054955 1.195244 11
//
system version 2.2.8-SNAPSHOT