ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002827
RECORD_TITLE: ALPHA-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$NAME: ALPHA-CUBEBENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₅H₂₄
CH$EXACT_MASS: 204.18780
CH$SMILES: CC(C)C([H])(C2)C([H])(C([H])31)C(CC([H])=C(C)3)(C([H])(C)C2)1
CH$IUPAC: InChI=1S/C15H24/c1-9(2)12-6-5-11(4)15-8-7-10(3)13(15)14(12)15/h7,9,11-14H,5-6,8H2,1-4H3/t11-,12+,13+,14-,15?/m1/s1
CH$LINK: INCHIKEY XUEHVOLRMXNRKQ-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$SPLASH: splash10-0bt9-5900000000-4ac14e723c5007dcc4c0
PK$NUM_PEAK: 92
PK$PEAK: m/z int. rel.int.
  26 1 10
  27 9.5 95
  28 1 10
  29 0.82 8
  31 0.5 5
  39 10.1 101
  40 1.1 11
  41 3.13 31
  42 3 30
  43 9.1 91
  50 0.5 5
  51 0.36 4
  52 1.7 17
  53 8.8 88
  54 0.8 8
  55 2.07 21
  56 5.6 56
  57 2.2 22
  58 0.5 5
  63 0.15 2
  64 0.8 8
  65 7.2 72
  66 1.3 13
  67 0.75 8
  68 1.1 11
  69 14.2 142
  70 3.2 32
  71 0.08 1
  75 0.8 8
  76 0.6 6
  77 16.7 167
  78 0.53 5
  79 13.3 133
  80 5.5 55
  81 30 300
  82 0.03 0
  83 1.3 13
  89 1.3 13
  90 1.2 12
  91 3.52 35
  92 19.7 197
  93 30 300
  94 4.6 46
  95 0.41 4
  96 0.5 5
  97 0.5 5
  101 0.5 5
  102 0.08 1
  103 4.5 45
  104 3.3 33
  105 99.99 999
  106 1.18 12
  107 15.5 155
  108 5.6 56
  109 2 20
  115 0.63 6
  116 3 30
  117 8.5 85
  118 5.2 52
  119 0.93 9
  120 30 300
  121 5.1 51
  122 2.3 23
  123 0.12 1
  127 1.6 16
  128 3.5 35
  129 3.5 35
  130 0.15 2
  131 5 50
  132 1.6 16
  133 9.8 98
  134 0.28 3
  135 1.1 11
  136 1.2 12
  141 1 10
  142 0.05 1
  143 0.8 8
  144 0.5 5
  145 3 30
  146 0.13 1
  147 3.7 37
  148 1.1 11
  149 0.8 8
  150 0.05 1
  159 1.6 16
  160 2 20
  161 98.5 985
  162 1.42 14
  163 1.1 11
  189 1.5 15
  204 20.8 208
  205 3.6 36
//