ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002857
RECORD_TITLE: BETA-ELEMENE; 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$NAME: BETA-ELEMENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₅H₂₄
CH$EXACT_MASS: 204.18780
CH$SMILES: C=CC(C)(C1)C([H])(C(C)=C)CC([H])(C(C)=C)C1
CH$IUPAC: InChI=1S/C15H24/c1-7-15(6)9-8-13(11(2)3)10-14(15)12(4)5/h7,13-14H,1-2,4,8-10H2,3,5-6H3/t13-,14+,15-/m1/s1
CH$LINK: INCHIKEY OPFTUNCRGUEPRZ-QLFBSQMISA-N
CH$LINK: COMPTOX DTXSID60881211

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$SPLASH: splash10-055f-9300000000-0289c8de75fe9d63ecbe
PK$NUM_PEAK: 106
PK$PEAK: m/z int. rel.int.
  26 1.6 16
  27 41.6 416
  28 9.5 95
  29 3.25 33
  30 0.8 8
  37 0.6 6
  38 1.7 17
  39 52.5 525
  40 1.71 17
  41 94.3 943
  42 10.3 103
  43 16.5 165
  44 0.06 1
  50 1.7 17
  51 9.2 92
  52 5.6 56
  53 5.13 51
  54 4.8 48
  55 49.5 495
  56 3.6 36
  57 0.48 5
  58 0.6 6
  62 0.5 5
  63 2.5 25
  64 0.15 2
  65 13.3 133
  66 9.6 96
  67 55.5 555
  68 8.05 81
  69 22.7 227
  70 1.7 17
  71 1 10
  72 0.06 1
  73 0.5 5
  74 0.5 5
  75 1.2 12
  76 0.11 1
  77 27 270
  78 8.1 81
  79 43.3 433
  80 0.15 2
  81 99.99 999
  82 10 100
  83 3 30
  84 0.06 1
  85 0.5 5
  86 0.5 5
  87 0.5 5
  89 0.13 1
  90 1.5 15
  91 30.5 305
  92 10.5 105
  93 6.68 67
  94 20.5 205
  95 20 200
  96 2.5 25
  97 0.11 1
  102 0.5 5
  103 2.3 23
  104 1.5 15
  105 2.26 23
  106 9.2 92
  107 41.6 416
  108 21.3 213
  109 0.1 1
  110 1.2 12
  115 2.2 22
  116 1 10
  117 0.25 3
  118 1.2 12
  119 18.2 182
  120 7.8 78
  121 0.34 3
  122 9.2 92
  123 10 100
  124 1 10
  127 0.05 1
  128 1.1 11
  129 1 10
  130 0.5 5
  131 0.16 2
  132 0.8 8
  133 16.6 166
  134 8.7 87
  135 1.55 16
  136 5.8 58
  137 0.6 6
  145 1.5 15
  146 0.08 1
  147 23.7 237
  148 10.8 108
  149 5.5 55
  150 0.08 1
  159 0.6 6
  160 0.6 6
  161 21.5 215
  162 0.66 7
  163 3.5 35
  175 4.5 45
  176 2.6 26
  177 0.05 1
  187 0.5 5
  189 19.7 197
  190 3 30
  204 0.83 8
  205 1.3 13
//