MassBank Record: MSBNK-EPA-ENTACT_AGILENT001798
ACCESSION: MSBNK-EPA-ENTACT_AGILENT001798
RECORD_TITLE: N-Ethyl-N-(3-methylphenyl)ethane-1,2-diamine; ESI-QTOF; MS2; CE: 40; [M+H]+
DATE: 2023.09.19
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY
CH$NAME: N-Ethyl-N-(3-methylphenyl)ethane-1,2-diamine
CH$NAME: DTXSID5027803
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C11H18N2
CH$EXACT_MASS: 178.146998589
CH$SMILES: CC1C=C(C=CC=1)N(CCN)CC
CH$IUPAC: InChI=1S/C11H18N2/c1-3-13(8-7-12)11-6-4-5-10(2)9-11/h4-6,9H,3,7-8,12H2,1-2H3
CH$LINK: CAS
19248-13-6
CH$LINK: INCHIKEY
FTMVEUXYYDLYFH-UHFFFAOYSA-N
CH$LINK: PUBCHEM
CID:87984
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$FOCUSED_ION: PRECURSOR_M/Z 179.1542750407
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0
PK$SPLASH: splash10-00l6-4900000000-10a26ee76f74ab0c6171
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
44.049476 40.309285 402
65.038577 12.965891 129
77.038577 9.953385 99
79.054227 5.341213 53
91.054227 68.366111 682
92.062052 5.351805 53
93.057301 6.550874 65
93.069877 3.351149 33
103.054227 2.157437 21
104.049476 3.16058 31
105.069877 10.843376 108
106.065126 14.183397 141
107.072951 21.167415 211
108.080776 3.700257 36
115.054227 8.353715 83
117.057301 24.582658 245
118.065126 36.63674 366
119.072951 11.833338 118
120.080776 5.577362 55
130.065126 8.6253 86
131.072951 7.669266 76
132.080776 100.000005 999
133.088601 1.179972 11
134.096426 7.037937 70
144.080776 1.469868 14
146.096426 5.643484 56
147.104251 1.065369 10
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