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MassBank Record: KO002680

2,6-Diethylaniline; LC-ESI-QQ; MS2; CE:40 V; [M+H]+

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

ACCESSION: KO002680
RECORD_TITLE: 2,6-Diethylaniline; LC-ESI-QQ; MS2; CE:40 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 40 V

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

PK$SPLASH: splash10-056r-9800000000-f341f9ef552f330aab8e
PK$NUM_PEAK: 33
PK$PEAK: m/z int. rel.int.
  41.200 79208.0 19
  43.000 44554.5 11
  44.100 34653.5 8
  51.200 29703.0 7
  55.500 118812.0 29
  65.000 178218.0 44
  67.000 89109.0 22
  73.000 94059.5 23
  77.000 3782182.0 925
  78.100 207921.0 51
  79.300 3658419.5 895
  88.800 29703.0 7
  90.000 14851.5 4
  91.000 2950498.0 722
  93.100 475248.0 116
  94.100 361386.5 88
  95.100 400990.5 98
  102.900 2945547.5 720
  104.000 232673.5 57
  105.100 4084162.5 999
  106.200 1891091.0 463
  108.800 9901.0 2
  115.100 306931.0 75
  116.100 74257.5 18
  117.100 574258.0 140
  118.300 277228.0 68
  119.400 574258.0 140
  120.100 331683.5 81
  121.000 64356.5 16
  129.000 44554.5 11
  133.800 84158.5 21
  148.200 54455.5 13
  150.200 44554.5 11
//

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