ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010675
RECORD_TITLE: BETA-SELINENE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: EGUCHI S, FAC. OF SCIENCE, HIROSHIMA UNIV.
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$INSTRUMENT: HITACHI RMU-6L
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-052f-9700000000-0433b7021e9426df6c0a
PK$NUM_PEAK: 74
PK$PEAK: m/z int. rel.int.
  41 99.99 999
  42 9.5 95
  43 23.5 235
  44 0.55 6
  51 11.5 115
  52 7.5 75
  53 40.5 405
  54 0.8 8
  55 59 590
  56 8 80
  57 10 100
  63 0.55 6
  64 4 40
  65 21 210
  66 9.5 95
  67 4.8 48
  68 19 190
  69 27.5 275
  70 5.5 55
  77 3.95 40
  78 12 120
  79 52.5 525
  80 21 210
  81 6.4 64
  82 20 200
  83 9.5 95
  91 61 610
  92 1.65 17
  93 76 760
  94 24 240
  95 38 380
  96 0.8 8
  97 8.5 85
  103 7.5 75
  104 5.5 55
  105 6.45 65
  106 19 190
  107 65 650
  108 31 310
  109 2.8 28
  110 7 70
  115 8.5 85
  116 5.5 55
  117 1.1 11
  118 7 70
  119 36 360
  120 16 160
  121 4.1 41
  122 22 220
  123 18 180
  124 6 60
  128 0.6 6
  129 6 60
  130 4.5 45
  131 9.5 95
  132 0.6 6
  133 43 430
  134 17 170
  135 18 180
  145 0.85 9
  146 8 80
  147 30 300
  148 16 160
  149 1.2 12
  150 6 60
  161 41 410
  162 17 170
  163 0.7 7
  175 18.5 185
  176 8 80
  189 46 460
  190 0.9 9
  204 48 480
  205 9.5 95
//