ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002823
RECORD_TITLE: GAMMA-CADINENE; 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$NAME: GAMMA-CADINENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₅H₂₄
CH$EXACT_MASS: 204.18780
CH$SMILES: CC(C)C(C1)C([H])(C=2)C([H])(CCC(C)2)C(=C)C1
CH$IUPAC: InChI=1S/C15H24/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h9-10,13-15H,4-8H2,1-3H3/t13-,14-,15-/m0/s1
CH$LINK: INCHIKEY WRHGORWNJGOVQY-KKUMJFAQSA-N
CH$LINK: COMPTOX DTXSID80197482

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$SPLASH: splash10-03dl-7900000000-5735da8a4436cae8d6c5
PK$NUM_PEAK: 87
PK$PEAK: m/z int. rel.int.
  26 0.5 5
  27 7 70
  29 5.5 55
  39 0.82 8
  40 1.1 11
  41 26 260
  42 1.3 13
  43 0.81 8
  50 0.5 5
  51 2.3 23
  52 1.3 13
  53 0.08 1
  54 0.8 8
  55 13.3 133
  56 1.1 11
  57 0.13 1
  63 0.8 8
  64 0.5 5
  65 5.3 53
  66 0.01 0
  67 10.6 106
  68 1.5 15
  69 10.5 105
  70 0.01 0
  75 0.5 5
  77 15.3 153
  78 4.3 43
  79 0.22 2
  80 3.8 38
  81 21 210
  82 2 20
  83 0.01 0
  89 0.8 8
  90 0.5 5
  91 28 280
  92 1.63 16
  93 28.5 285
  94 8.5 85
  95 5.8 58
  96 0.06 1
  102 0.5 5
  103 2.1 21
  104 2 20
  105 3.51 35
  106 7.2 72
  107 10 100
  108 2.1 21
  109 0.16 2
  110 0.5 5
  115 3 30
  116 1.5 15
  117 0.47 5
  118 2 20
  119 26 260
  120 11.1 111
  121 0.77 8
  122 2 20
  123 0.8 8
  127 1.1 11
  128 0.18 2
  129 1.7 17
  130 0.8 8
  131 2.8 28
  132 0.12 1
  133 17.1 171
  134 10.5 105
  135 9.2 92
  136 0.38 4
  141 0.5 5
  143 0.5 5
  145 2 20
  146 0.01 0
  147 4 40
  148 5.8 58
  149 1.5 15
  150 0.21 2
  159 1.1 11
  160 3 30
  161 99.99 999
  162 0.15 2
  163 1.3 13
  175 1 10
  176 2.2 22
  189 0.43 4
  190 0.6 6
  204 21.3 213
  205 3.8 38
//