ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002822
RECORD_TITLE: BETA-BISABOLENE; 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$NAME: BETA-BISABOLENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₅H₂₄
CH$EXACT_MASS: 204.18780
CH$SMILES: CC(C)=CCCC(=C)C([H])(C1)CC([H])=C(C)C1
CH$IUPAC: InChI=1S/C15H24/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h6,8,15H,4-5,7,9-11H2,1-3H3/t15-/m1/s1
CH$LINK: INCHIKEY XZRVRYFILCSYSP-OAHLLOKOSA-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$SPLASH: splash10-00kf-9200000000-54f68555ef8db69e1af7
PK$NUM_PEAK: 76
PK$PEAK: m/z int. rel.int.
  26 0.5 5
  27 7.3 73
  28 1.3 13
  29 0.65 7
  39 11 110
  40 2.3 23
  41 68.5 685
  42 0.31 3
  43 6.6 66
  51 2.3 23
  52 1.5 15
  53 1.16 12
  54 1.5 15
  55 15 150
  56 2 20
  57 0.16 2
  63 0.8 8
  65 4.6 46
  66 2.1 21
  67 2.55 26
  69 99.99 999
  70 5.8 58
  77 11.7 117
  78 0.35 4
  79 23.7 237
  80 7.5 75
  81 10.3 103
  82 0.51 5
  83 1.5 15
  84 0.6 6
  91 16.1 161
  92 0.11 1
  93 69 690
  94 26.5 265
  95 11 110
  96 0.11 1
  97 1 10
  103 1 10
  104 0.5 5
  105 1.23 12
  106 5.5 55
  107 17.5 175
  108 6.5 65
  109 2.37 24
  110 2.1 21
  111 0.5 5
  115 1.1 11
  117 0.13 1
  118 0.6 6
  119 16.8 168
  120 6.5 65
  121 0.14 1
  122 4.1 41
  123 1.1 11
  128 0.5 5
  131 0.08 1
  132 0.8 8
  134 8.2 82
  135 10.3 103
  136 0.03 0
  147 4 40
  148 2 20
  149 0.6 6
  157 0.01 0
  159 0.5 5
  160 0.6 6
  161 17.2 172
  162 0.26 3
  163 0.8 8
  175 1 10
  176 0.8 8
  189 0.42 4
  190 0.6 6
  202 0.6 6
  204 24.5 245
  205 4.2 42
//