ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002820
RECORD_TITLE: ALLOAKUMADENDRENE; 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$NAME: ALLOAKUMADENDRENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₅H₂₄
CH$EXACT_MASS: 204.18780
CH$SMILES: C=C(C2)C([H])(C3)C([H])(C([H])(C)C3)C([H])(C(C)(C)1)C([H])(C2)1
CH$IUPAC: InChI=1S/C15H24/c1-9-6-8-12-14(15(12,3)4)13-10(2)5-7-11(9)13/h10-14H,1,5-8H2,2-4H3/t10-,11-,12-,13-,14-/m1/s1
CH$LINK: INCHIKEY ITYNGVSTWVVPIC-DHGKCCLASA-N
CH$LINK: COMPTOX DTXSID70881267

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$SPLASH: splash10-0006-9800000000-cb67b041286cedaf524e
PK$NUM_PEAK: 99
PK$PEAK: m/z int. rel.int.
  26 1.7 17
  37 0.6 6
  38 0.8 8
  39 2.58 26
  40 5.3 53
  41 94 940
  42 5.5 55
  43 0.24 2
  45 0.5 5
  50 1.3 13
  51 6.7 67
  52 0.45 5
  53 27.5 275
  54 4.3 43
  55 54 540
  56 0.33 3
  57 5 50
  58 0.6 6
  59 1 10
  62 0.05 1
  63 2.7 27
  64 1.5 15
  65 16.5 165
  66 0.57 6
  67 49.3 493
  68 5.5 55
  72 0.8 8
  73 0.08 1
  74 0.6 6
  75 1.5 15
  76 0.6 6
  77 3.87 39
  78 14 140
  79 64 640
  80 14 140
  81 0.61 6
  82 24.6 246
  83 11 110
  84 0.8 8
  85 0.05 1
  89 1.7 17
  90 1.1 11
  91 83.5 835
  92 0.27 3
  93 80 800
  94 27 270
  95 33.5 335
  96 0.73 7
  97 2.3 23
  103 5.3 53
  104 3 30
  106 2.93 29
  107 71.5 715
  108 22.8 228
  109 21.1 211
  110 0.28 3
  111 0.8 8
  115 4.8 48
  116 3 30
  117 1.05 11
  118 3.3 33
  119 56 560
  120 27 270
  121 4.23 42
  122 31.7 317
  123 7.6 76
  124 0.8 8
  127 0.13 1
  128 2.7 27
  129 2.8 28
  130 1.5 15
  131 0.56 6
  132 3 30
  133 61.1 611
  134 24 240
  135 2.63 26
  141 0.8 8
  142 0.5 5
  143 0.8 8
  144 0.05 1
  145 3.6 36
  146 2.8 28
  147 50 500
  148 3.58 36
  149 11.7 117
  150 1.7 17
  159 2.8 28
  160 0.28 3
  161 99.99 999
  162 17.6 176
  163 3.1 31
  175 0.87 9
  176 4.7 47
  177 0.8 8
  189 32.3 323
  190 0.46 5
  204 60 600
  205 10.5 105
  206 1.3 13
//