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MassBank Record: KO002678

2,6-Diethylaniline; LC-ESI-QQ; MS2; CE:20 V; [M+H]+

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

ACCESSION: KO002678
RECORD_TITLE: 2,6-Diethylaniline; LC-ESI-QQ; MS2; CE:20 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 20 V

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

PK$SPLASH: splash10-0udi-0900000000-b49845f184fdee346728
PK$NUM_PEAK: 36
PK$PEAK: m/z int. rel.int.
  44.800 59406.0 2
  49.700 74257.5 2
  55.200 49505.0 1
  61.400 29703.0 1
  69.100 128713.0 3
  70.300 49505.0 1
  71.800 54455.5 1
  73.100 2282180.5 59
  79.000 158416.0 4
  84.900 59406.0 2
  86.200 39604.0 1
  87.300 198020.0 5
  91.000 1287130.0 33
  93.100 84158.5 2
  94.200 1425744.0 37
  96.300 79208.0 2
  97.200 193069.5 5
  99.600 24752.5 1
  101.100 504951.0 13
  103.000 178218.0 5
  105.100 12698032.5 329
  105.600 381188.5 10
  114.000 712872.0 18
  115.300 574258.0 15
  117.100 237624.0 6
  117.900 59406.0 2
  119.400 138614.0 4
  120.300 237624.0 6
  121.300 1405942.0 36
  122.300 4118816.0 107
  130.900 470297.5 12
  132.100 326733.0 8
  133.000 1658417.5 43
  133.900 1465348.0 38
  148.000 2420794.5 63
  150.300 38574296.0 999
//

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