ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002853
RECORD_TITLE: BETA-SELINENE; 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$NAME: BETA-SELINENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₅H₂₄
CH$EXACT_MASS: 204.18780
CH$SMILES: CC(=C)C([H])(C1)CC([H])(C(=C)2)C(C)(CCC2)C1
CH$IUPAC: InChI=1S/C15H24/c1-11(2)13-7-9-15(4)8-5-6-12(3)14(15)10-13/h13-14H,1,3,5-10H2,2,4H3/t13-,14+,15-/m1/s1
CH$LINK: INCHIKEY YOVSPTNQHMDJAG-QLFBSQMISA-N

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$SPLASH: splash10-0006-9300000000-3d4b0201d19564c6a9f7
PK$NUM_PEAK: 88
PK$PEAK: m/z int. rel.int.
  27 13 130
  28 2.5 25
  29 19 190
  38 0.08 1
  39 14.3 143
  40 4 40
  41 34 340
  42 0.03 0
  43 13 130
  44 0.5 5
  50 0.8 8
  51 0.31 3
  52 1.8 18
  53 14 140
  54 0.5 5
  55 1.72 17
  56 2.2 22
  57 2.1 21
  58 3 30
  59 0.05 1
  63 1 10
  64 0.5 5
  65 4.7 47
  66 0.02 0
  67 15.7 157
  68 6.7 67
  69 11 110
  70 0.12 1
  71 0.8 8
  77 12 120
  78 3.1 31
  79 0.17 2
  80 34.2 342
  81 16.5 165
  82 12.5 125
  83 0.03 0
  84 1.7 17
  85 0.6 6
  91 14.2 142
  92 1.63 16
  93 99.99 999
  94 15 150
  95 12.2 122
  96 0.33 3
  97 1 10
  103 0.8 8
  104 0.5 5
  105 1.12 11
  106 3.8 38
  107 20.1 201
  108 6.3 63
  109 0.17 2
  110 2.5 25
  111 1.5 15
  115 0.8 8
  117 0.01 0
  119 9.1 91
  120 2.8 28
  121 30.2 302
  122 0.11 1
  123 4.6 46
  124 0.5 5
  128 1 10
  129 0.05 1
  131 0.6 6
  133 4 40
  134 3.3 33
  135 0.65 7
  136 5.6 56
  137 1.3 13
  138 3 30
  145 0.05 1
  146 0.6 6
  147 12.7 127
  148 4.2 42
  149 0.15 2
  150 0.5 5
  159 0.5 5
  161 5.8 58
  162 0.13 1
  163 0.6 6
  175 0.8 8
  176 0.6 6
  189 0.03 0
  190 0.5 5
  204 9 90
  205 1.6 16
  206 6 60
//