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MassBank Record: MSBNK-EPA-ENTACT_AGILENT001798

N-Ethyl-N-(3-methylphenyl)ethane-1,2-diamine; ESI-QTOF; MS2; CE: 40; [M+H]+

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

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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