ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002855
RECORD_TITLE: ALPHA-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$NAME: ALPHA-BISABOLENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₅H₂₄
CH$EXACT_MASS: 204.18780
CH$SMILES: CC(C)=CCC=C(C)C(C1)CC=C(C)C1
CH$IUPAC: InChI=1S/C15H24/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h6-8,15H,5,9-11H2,1-4H3/b14-7-
CH$LINK: INCHIKEY YHBUQBJHSRGZNF-AUWJEWJLSA-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$SPLASH: splash10-0006-9400000000-576519ffe2ba01b6c4c3
PK$NUM_PEAK: 48
PK$PEAK: m/z int. rel.int.
  27 3 30
  29 5.8 58
  39 7.7 77
  41 2.53 25
  43 9 90
  51 2.1 21
  53 14.5 145
  55 1.25 13
  65 5.5 55
  67 9.7 97
  68 3 30
  69 0.56 6
  77 11 110
  78 3 30
  79 14 140
  80 1.25 13
  81 9.7 97
  82 3.8 38
  91 18.7 187
  92 1.17 12
  93 99.99 999
  94 19.1 191
  95 14 140
  105 2.21 22
  106 7.2 72
  107 18.7 187
  108 3 30
  109 0.2 2
  110 2.3 23
  119 27.3 273
  120 4.5 45
  121 1.93 19
  122 6.6 66
  123 2 20
  131 1.5 15
  132 0.17 2
  133 14.2 142
  134 3.8 38
  135 5 50
  136 0.42 4
  147 10.7 107
  148 8.3 83
  149 2.6 26
  161 1.26 13
  162 2.3 23
  175 1.5 15
  176 1.5 15
  189 4.2 42
//