MassBank Record: MSBNK-EPA-ENTACT_AGILENT000712
ACCESSION: MSBNK-EPA-ENTACT_AGILENT000712
RECORD_TITLE: N-Ethyl-3-methylaniline; ESI-QTOF; MS2; CE: 40; [M+H]+
DATE: 2023.05.02
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY
CH$NAME: N-Ethyl-3-methylaniline
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C9H13N
CH$EXACT_MASS: 135.1047994221
CH$SMILES: CC1C=C(C=CC=1)NCC
CH$IUPAC: InChI=1S/C9H13N/c1-3-10-9-6-4-5-8(2)7-9/h4-7,10H,3H2,1-2H3
CH$LINK: CAS
102-27-2
CH$LINK: INCHIKEY
GUYMMHOQXYZMJQ-UHFFFAOYSA-N
CH$LINK: PUBCHEM
CID:7603
AC$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 136.1120758738
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0
PK$SPLASH: splash10-0a4i-7900000000-c96a994434c37b2514ef
PK$NUM_PEAK: 20
PK$PEAK: m/z int. rel.int.
39.022927 2.398747 23
42.033826 1.579032 15
51.022927 1.786545 17
53.038577 1.259494 12
63.022927 1.612215 16
65.038577 5.797423 57
66.046402 4.598881 45
67.041651 3.496779 34
77.038577 16.556427 165
78.033826 1.954914 19
79.054227 17.444217 174
80.049476 2.399047 23
80.062052 1.035425 10
89.038577 9.998545 99
90.046402 3.529882 35
91.054227 3.625329 36
92.049476 2.67514 26
93.057301 10.197067 101
106.065126 100.000001 999
107.072951 10.388777 103
//