ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002828
RECORD_TITLE: BETA-CUBEBENE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SASAKI S, TOYOHASHI UNIV. OF TECH.
LICENSE: CC BY-NC-SA

CH$NAME: BETA-CUBEBENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₅H₂₄
CH$EXACT_MASS: 204.18780
CH$SMILES: CC(C)C([H])(C2)C([H])(C([H])31)C(CCC(=C)3)(C([H])(C)C2)1
CH$IUPAC: InChI=1S/C15H24/c1-9(2)12-6-5-11(4)15-8-7-10(3)13(15)14(12)15/h9,11-14H,3,5-8H2,1-2,4H3/t11-,12+,13+,14-,15?/m1/s1
CH$LINK: INCHIKEY FSRZGYRCMPZNJF-GVLTWOEFSA-N

AC$INSTRUMENT: Unknown
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-08fr-7900000000-22195359a65fe82f1605
PK$NUM_PEAK: 83
PK$PEAK: m/z int. rel.int.
  26 0.5 5
  27 7 70
  29 5.7 57
  39 0.81 8
  40 0.8 8
  41 24.3 243
  42 1.3 13
  43 0.75 8
  51 2.2 22
  52 1.1 11
  53 6.7 67
  54 0.08 1
  55 16 160
  56 1.5 15
  57 3.3 33
  58 0.05 1
  63 1.1 11
  64 0.8 8
  65 5.5 55
  66 0.01 0
  67 9 90
  68 0.8 8
  69 10 100
  70 0.01 0
  71 2 20
  75 0.6 6
  77 13 130
  78 0.43 4
  79 17.5 175
  80 4.1 41
  81 18.8 188
  82 0.27 3
  83 1.1 11
  89 0.8 8
  90 0.6 6
  91 3.03 30
  92 6.7 67
  93 16.5 165
  94 2.1 21
  95 0.04 0
  96 0.6 6
  97 0.8 8
  102 0.8 8
  103 0.25 3
  104 2.5 25
  105 34.2 342
  106 6.2 62
  107 0.95 10
  108 2 20
  109 1.6 16
  110 0.5 5
  115 0.35 4
  116 1.7 17
  117 5.5 55
  118 1.7 17
  119 0.21 2
  120 25.7 257
  121 5.3 53
  122 0.8 8
  123 0.08 1
  127 1 10
  128 1.7 17
  129 1.6 16
  130 0.08 1
  131 2.5 25
  132 1.1 11
  133 9.7 97
  134 0.21 2
  135 0.6 6
  141 0.5 5
  145 1.5 15
  146 0.08 1
  147 5 50
  148 1.6 16
  149 0.8 8
  159 0.08 1
  160 3.5 35
  161 99.99 999
  162 10.8 108
  163 0.13 1
  189 0.6 6
  204 13.2 132
  205 2.5 25
//