ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009899
RECORD_TITLE: 3,7,11-TRIMETHYL-2,6,10-DODECATRIENENITRILE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KURARAY CO., LTD.
LICENSE: CC BY-NC-SA
CH$NAME: 3,7,11-TRIMETHYL-2,6,10-DODECATRIENENITRILE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C15H23N
CH$EXACT_MASS: 217.18305
CH$SMILES: N#CC=C(C)CCC=C(C)CCC=C(C)C
CH$IUPAC: InChI=1S/C15H23N/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16/h7,9,11H,5-6,8,10H2,1-4H3/b14-9+,15-11+
CH$LINK: CAS 29789-67-1
CH$LINK: INCHIKEY KNFDAUYLUSORSX-YFVJMOTDSA-N
AC$INSTRUMENT: JEOL JMS-D-300
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-014i-9100000000-9ba64f2b4d3fcb638407
PK$NUM_PEAK: 36
PK$PEAK: m/z int. rel.int.
  27 3 30
  29 3 30
  39 4.2 42
  41 31 310
  42 1.2 12
  43 3.5 35
  53 7 70
  55 7.8 78
  67 6 60
  68 6.2 62
  69 99.99 999
  70 6 60
  77 1.6 16
  79 2.5 25
  80 2 20
  81 41.7 417
  82 3 30
  91 1.3 13
  93 2 20
  94 1.3 13
  95 4.5 45
  96 1.3 13
  106 1 10
  107 1 10
  109 3.5 35
  121 1.5 15
  123 1.6 16
  124 4.2 42
  136 3.3 33
  137 4.6 46
  146 1.6 16
  148 1.7 17
  161 1.7 17
  174 3.5 35
  202 1 10
  217 1.5 15
//
