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MassBank Record: KO002679

2,6-Diethylaniline; LC-ESI-QQ; MS2; CE:30 V; [M+H]+

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

ACCESSION: KO002679
RECORD_TITLE: 2,6-Diethylaniline; LC-ESI-QQ; MS2; CE:30 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 30 V

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

PK$SPLASH: splash10-0a4i-3900000000-fdea4fa5066a50bca117
PK$NUM_PEAK: 42
PK$PEAK: m/z int. rel.int.
  22.400 49505.0 2
  29.400 29703.0 1
  41.200 59406.0 3
  43.200 59406.0 3
  45.100 143564.5 7
  55.400 138614.0 7
  57.000 39604.0 2
  59.100 34653.5 2
  69.000 336634.0 17
  70.000 44554.5 2
  72.000 29703.0 1
  73.200 603961.0 30
  77.100 1000001.0 50
  79.100 2658418.5 133
  83.400 59406.0 3
  87.200 79208.0 4
  87.800 29703.0 1
  91.200 3955449.5 198
  93.200 608911.5 30
  94.000 1920794.0 96
  95.300 113861.5 6
  96.100 54455.5 3
  100.500 14851.5 1
  103.100 2470299.5 124
  104.100 227723.0 11
  105.100 19965366.5 999
  105.600 2183170.5 109
  115.100 222772.5 11
  116.000 44554.5 2
  117.000 608911.5 30
  117.900 267327.0 13
  119.200 1009902.0 51
  120.100 985149.5 49
  121.200 1292080.5 65
  122.200 1044555.5 52
  129.000 54455.5 3
  131.000 381188.5 19
  132.700 49505.0 2
  133.000 445545.0 22
  134.300 797030.5 40
  148.200 1069308.0 54
  150.200 1841586.0 92
//

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