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MassBank Record: MSBNK-EPA-ENTACT_AGILENT001799

N-Ethyl-N-(3-methylphenyl)ethane-1,2-diamine; ESI-QTOF; MS2; CE: 20; [M+H]+

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

ACCESSION: MSBNK-EPA-ENTACT_AGILENT001799
RECORD_TITLE: N-Ethyl-N-(3-methylphenyl)ethane-1,2-diamine; ESI-QTOF; MS2; CE: 20; [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 20

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$SPLASH: splash10-03e9-0900000000-c4a70430d492e66f12e9
PK$NUM_PEAK: 16
PK$PEAK: m/z int. rel.int.
  44.049476 19.554754 195
  91.054227 3.162528 31
  93.069877 1.940566 19
  107.072951 5.325372 53
  108.080776 8.653828 86
  118.065126 3.242617 32
  119.072951 3.26904 32
  131.072951 1.080111 10
  132.080776 51.492768 514
  133.088601 4.358624 43
  134.096426 43.989514 439
  136.112076 17.409262 173
  146.096426 1.792701 17
  147.104251 54.273426 542
  160.112076 13.947171 139
  162.127726 100.000004 999
//

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