ACCESSION: MSBNK-Keio_Univ-KO002681
RECORD_TITLE: 2,6-Diethylaniline; LC-ESI-QQ; MS2; CE:50 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 50 V

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

PK$SPLASH: splash10-004i-9200000000-88b17a12dd28d8b348d6
PK$NUM_PEAK: 25
PK$PEAK: m/z int. rel.int.
  41.300 69307.0 18
  45.000 59406.0 15
  51.100 133663.5 34
  55.500 39604.0 10
  63.000 29703.0 8
  65.200 440594.5 113
  67.000 24752.5 6
  76.900 3900994.0 999
  77.800 212871.5 55
  79.100 1301981.5 333
  91.200 1099011.0 281
  92.100 59406.0 15
  93.100 188119.0 48
  95.200 301980.5 77
  95.500 14851.5 4
  101.200 19802.0 5
  102.900 915842.5 235
  105.300 212871.5 55
  106.100 485149.0 124
  115.100 262376.5 67
  117.300 272277.5 70
  118.100 148515.0 38
  119.000 29703.0 8
  120.000 59406.0 15
  120.400 29703.0 8
//