ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002838
RECORD_TITLE: ALPHA-HIMACHALENE; 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$NAME: ALPHA-HIMACHALENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₅H₂₄
CH$EXACT_MASS: 204.18780
CH$SMILES: CC(C2)=C([H])C([H])(C(C)(C)1)C([H])(C2)C(=C)CCC1
CH$IUPAC: InChI=1S/C15H24/c1-11-7-8-13-12(2)6-5-9-15(3,4)14(13)10-11/h10,13-14H,2,5-9H2,1,3-4H3/t13-,14-/m0/s1
CH$LINK: INCHIKEY ZJSIKVDEOWWVEH-KBPBESRZSA-N
CH$LINK: COMPTOX DTXSID30191859

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$SPLASH: splash10-00kf-9700000000-ca4fe26e325cdce60d2b
PK$NUM_PEAK: 98
PK$PEAK: m/z int. rel.int.
  26 0.8 8
  27 14.3 143
  29 15.1 151
  38 0.05 1
  39 20.7 207
  40 3.6 36
  41 61 610
  42 0.35 4
  43 16.3 163
  44 0.5 5
  50 1.1 11
  51 0.06 1
  52 3 30
  53 19.1 191
  54 2.3 23
  55 3.67 37
  56 6 60
  57 4.1 41
  58 0.5 5
  63 0.02 0
  64 1.5 15
  65 12.3 123
  66 4 40
  67 3.07 31
  68 6.3 63
  69 49.1 491
  70 4.1 41
  71 0.01 0
  75 1.3 13
  76 0.6 6
  77 34.7 347
  78 0.95 10
  79 56 560
  80 15.5 155
  81 27.1 271
  82 1.03 10
  83 5 50
  84 0.8 8
  89 1.6 16
  90 0.11 1
  91 53 530
  92 32.3 323
  93 99.99 999
  94 0.76 8
  95 25.1 251
  96 5 50
  97 2.7 27
  102 0.08 1
  103 4.8 48
  104 3 30
  105 53 530
  106 0.18 2
  107 40.5 405
  108 17.5 175
  109 39.1 391
  110 0.42 4
  111 2.2 22
  112 0.5 5
  115 6 60
  116 0.26 3
  117 8.7 87
  118 3.1 31
  119 68 680
  120 2.15 22
  121 42 420
  122 11.5 115
  123 3 30
  127 0.01 0
  128 2.6 26
  129 2.3 23
  130 1.1 11
  131 0.45 5
  132 2 20
  133 30.7 307
  134 38.1 381
  135 3.03 30
  136 10.3 103
  137 1.1 11
  141 0.6 6
  143 0.08 1
  145 2.7 27
  146 1 10
  147 16.7 167
  148 1.15 12
  149 3.2 32
  150 0.5 5
  159 1.1 11
  160 0.01 0
  161 41 410
  162 8.3 83
  163 1.6 16
  175 0.75 8
  176 4.3 43
  189 42.5 425
  190 7.1 71
  204 5.05 51
  205 9.1 91
  206 0.6 6
//