MassBank Record: MSBNK-EPA-ENTACT_AGILENT002163
ACCESSION: MSBNK-EPA-ENTACT_AGILENT002163
RECORD_TITLE: N-(2,4-Dimethylphenyl)acetamide; ESI-QTOF; MS2; CE: 40; [M+H]+
DATE: 2023.09.19
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY
CH$NAME: N-(2,4-Dimethylphenyl)acetamide
CH$NAME: DTXSID0044868
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H13NO
CH$EXACT_MASS: 163.0997140444
CH$SMILES: CC1C=C(C)C(=CC=1)NC(C)=O
CH$IUPAC: InChI=1S/C10H13NO/c1-7-4-5-10(8(2)6-7)11-9(3)12/h4-6H,1-3H3,(H,11,12)
CH$LINK: CAS
2050-43-3
CH$LINK: INCHIKEY
PJEIIBXJUDOMAN-UHFFFAOYSA-N
CH$LINK: PUBCHEM
CID:16303
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$FOCUSED_ION: PRECURSOR_M/Z 164.1069904961
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0
PK$SPLASH: splash10-0a4i-2900000000-8240bcd0436cf00bc58a
PK$NUM_PEAK: 11
PK$PEAK: m/z int. rel.int.
43.017841 21.158543 211
51.022927 1.501974 15
77.038577 12.932766 129
79.054227 10.434538 104
89.038577 1.527514 15
90.046402 1.819084 18
103.054227 2.893369 28
105.069877 3.580715 35
106.065126 99.999996 999
107.072951 72.896328 728
122.096426 1.675758 16
//
system version 2.2.6-SNAPSHOT