ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002840
RECORD_TITLE: HUMULENE; 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$NAME: HUMULENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₅H₂₄
CH$EXACT_MASS: 204.18780
CH$SMILES: [H]C(C1)=C(C)CC([H])=C([H])C(C)(C)CC([H])=C(C)C1
CH$IUPAC: InChI=1S/C15H24/c1-13-7-5-8-14(2)10-12-15(3,4)11-6-9-13/h6-7,10-11H,5,8-9,12H2,1-4H3/b11-6+,13-7+,14-10+
CH$LINK: INCHIKEY FAMPSKZZVDUYOS-HRGUGZIWSA-N
CH$LINK: COMPTOX DTXSID30858793

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$SPLASH: splash10-0006-9300000000-8a1b490211a20d440efd
PK$NUM_PEAK: 70
PK$PEAK: m/z int. rel.int.
  26 0.6 6
  27 7.5 75
  28 1.3 13
  29 0.85 9
  39 9.1 91
  40 2.2 22
  41 22.5 225
  42 0.16 2
  43 9.8 98
  50 0.5 5
  51 2 20
  52 0.12 1
  53 10.2 102
  54 1.2 12
  55 11.1 111
  56 0.12 1
  57 1 10
  63 0.5 5
  65 3.5 35
  66 0.15 2
  67 10.5 105
  68 3.3 33
  69 4.5 45
  70 0.05 1
  75 0.5 5
  77 10.7 107
  78 2.5 25
  79 1.35 14
  80 35 350
  81 8.6 86
  82 7.2 72
  83 0.01 0
  89 0.8 8
  90 0.5 5
  91 11.8 118
  92 1.67 17
  93 99.99 999
  94 13.5 135
  95 7.7 77
  96 0.01 0
  103 0.8 8
  105 8.6 86
  106 2.8 28
  107 0.14 1
  108 4.2 42
  109 11.3 113
  110 1.5 15
  111 0.05 1
  115 0.6 6
  117 0.8 8
  119 7.2 72
  120 0.17 2
  121 26.5 265
  122 8.8 88
  123 2.5 25
  133 0.18 2
  134 2 20
  135 2.6 26
  136 4.5 45
  137 0.05 1
  146 0.8 8
  147 14 140
  148 3.1 31
  149 0.06 1
  161 2.7 27
  162 0.8 8
  175 0.5 5
  189 0.16 2
  204 7.2 72
  205 1.1 11
//