ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001560
RECORD_TITLE: CYCLODODECENE; 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$NAME: CYCLODODECENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₂H₂₂
CH$EXACT_MASS: 166.17215
CH$SMILES: C(C1)CCCCC=CCCCC1
CH$IUPAC: InChI=1S/C12H22/c1-2-4-6-8-10-12-11-9-7-5-3-1/h1-2H,3-12H2/b2-1-
CH$LINK: INCHIKEY HYPABJGVBDSCIT-UPHRSURJSA-N

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$SPLASH: splash10-067m-9100000000-1b5d9c14de3d8c273242
PK$NUM_PEAK: 58
PK$PEAK: m/z int. rel.int.
  15 1.05 11
  26 1.39 14
  27 24.3 243
  28 8.05 81
  29 30.41 304
  39 34.65 347
  40 6.29 63
  41 99.99 999
  42 16.41 164
  43 20.39 204
  51 3.2 32
  52 2.23 22
  53 17.45 175
  54 69.53 695
  55 92.4 924
  56 18.33 183
  57 12.04 120
  65 5.38 54
  66 8.92 89
  67 90.63 906
  68 46.12 461
  69 42.89 429
  70 11.7 117
  71 2.25 23
  77 4.69 47
  78 1.77 18
  79 10.17 102
  80 7.48 75
  81 66.58 666
  82 86.29 863
  83 36.17 362
  84 7.34 73
  85 1.64 16
  91 2.82 28
  93 3.36 34
  94 4.57 46
  95 44.35 444
  96 68.28 683
  97 19.7 197
  98 4.15 42
  107 1.44 14
  108 1.85 19
  109 28.14 281
  110 16.48 165
  111 4.83 48
  112 1.7 17
  121 2.1 21
  122 1.31 13
  123 10.86 109
  124 8.98 90
  125 1.8 18
  137 4.56 46
  138 7.61 76
  139 1.3 13
  140 1.44 14
  164 1.18 12
  166 35.06 351
  167 5.13 51
//