ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001559
RECORD_TITLE: 1.5.9-CYCLODODECATRIENE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: 1.5.9-CYCLODODECATRIENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₂H₁₈
CH$EXACT_MASS: 162.14085
CH$SMILES: C(C1)C=CCCC=CCCC=C1
CH$IUPAC: InChI=1S/C12H18/c1-2-4-6-8-10-12-11-9-7-5-3-1/h1-2,7-10H,3-6,11-12H2/b2-1-,9-7+,10-8+
CH$LINK: INCHIKEY ZOLLIQAKMYWTBR-RYMQXAEESA-N
CH$LINK: COMPTOX DTXSID20872347

AC$INSTRUMENT: HITACHI RMU-6M
AC$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$SPLASH: splash10-0f6x-9100000000-8f14a0290404c1565291
PK$NUM_PEAK: 47
PK$PEAK: m/z int. rel.int.
  27 16.35 164
  28 7.13 71
  29 5.4 54
  38 1.24 12
  39 37.47 375
  40 4.39 44
  41 33.49 335
  42 2.04 20
  43 1.26 13
  50 1.59 16
  51 5.21 52
  52 3.77 38
  53 14.07 141
  54 99.99 999
  55 9.23 92
  63 1.78 18
  65 8.5 85
  66 13.95 140
  67 50.5 505
  68 4.17 42
  77 11.28 113
  78 9.22 92
  79 51.44 514
  80 38.23 382
  81 8.01 80
  82 1.24 12
  91 99.11 991
  92 9.23 92
  93 34.04 340
  94 9.64 96
  95 6.21 62
  96 1.42 14
  105 7.98 80
  106 6.47 65
  107 6.37 64
  108 7.32 73
  109 1.05 11
  119 14.41 144
  120 8.81 88
  121 1.09 11
  133 14.26 143
  134 12.7 127
  135 1.66 17
  147 3.03 30
  161 1.26 13
  162 16.72 167
  163 2.42 24
//