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MassBank Record: KO002677

2,6-Diethylaniline; LC-ESI-QQ; MS2; CE:10 V; [M+H]+

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

ACCESSION: KO002677
RECORD_TITLE: 2,6-Diethylaniline; LC-ESI-QQ; MS2; CE:10 V; [M+H]+
DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10)
AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ.
LICENSE: CC BY-NC-SA
COMMENT: KEIO_ID D039

CH$NAME: 2,6-Diethylaniline
CH$NAME: DEA
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H15N
CH$EXACT_MASS: 149.12045
CH$SMILES: CCc(c1)c(N)c(CC)cc1
CH$IUPAC: InChI=1S/C10H15N/c1-3-8-6-5-7-9(4-2)10(8)11/h5-7H,3-4,11H2,1-2H3
CH$LINK: CAS 579-66-8
CH$LINK: KEGG C11001
CH$LINK: NIKKAJI J55.363H
CH$LINK: PUBCHEM SID:13184
CH$LINK: INCHIKEY FOYHNROGBXVLLX-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID6027218

AC$INSTRUMENT: API3000, Applied Biosystems
AC$INSTRUMENT_TYPE: LC-ESI-QQ
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V

MS$FOCUSED_ION: PRECURSOR_M/Z 150
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-0udi-0900000000-e35926d46e7f20410129
PK$NUM_PEAK: 31
PK$PEAK: m/z int. rel.int.
  50.000 1000001.0 10
  64.000 89109.0 1
  68.000 118812.0 1
  73.100 1396041.0 14
  73.900 54455.5 1
  78.000 202970.5 2
  82.000 227723.0 2
  87.000 89109.0 1
  87.400 54455.5 1
  90.900 94059.5 1
  97.100 108911.0 1
  99.000 39604.0 1
  101.000 1524754.0 15
  103.400 153465.5 2
  105.000 500000.5 5
  105.400 94059.5 1
  108.000 128713.0 1
  109.000 44554.5 1
  115.100 1267328.0 13
  117.100 39604.0 1
  117.900 252475.5 2
  120.800 49505.0 1
  122.400 277228.0 3
  129.700 24752.5 1
  131.200 64356.5 1
  132.000 2321784.5 23
  133.100 4752480.0 47
  133.900 118812.0 1
  148.400 237624.0 2
  150.300 101000101.0 999
  168.400 59406.0 1
//

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