ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002846
RECORD_TITLE: BETA-SANTALENE; 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$NAME: BETA-SANTALENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₅H₂₄
CH$EXACT_MASS: 204.18780
CH$SMILES: CC(C)=CCCC(C)(C(=C)1)C(C2)CC(C2)1
CH$IUPAC: InChI=1S/C15H24/c1-11(2)6-5-9-15(4)12(3)13-7-8-14(15)10-13/h6,13-14H,3,5,7-10H2,1-2,4H3/t13-,14+,15+/m1/s1
CH$LINK: INCHIKEY PGBNIHXXFQBCPU-ILXRZTDVSA-N
CH$LINK: COMPTOX DTXSID60883412

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$SPLASH: splash10-0006-9200000000-ab8503587dedec620722
PK$NUM_PEAK: 60
PK$PEAK: m/z int. rel.int.
  27 5 50
  28 1.1 11
  29 4 40
  39 0.68 7
  40 1.2 12
  41 28.1 281
  42 1.1 11
  43 0.38 4
  51 1.5 15
  52 1 10
  53 5.6 56
  54 0.06 1
  55 18.5 185
  56 1 10
  63 0.5 5
  65 0.31 3
  66 1.5 15
  67 10.7 107
  68 1.5 15
  69 0.09 1
  70 0.6 6
  75 0.5 5
  77 10.6 106
  78 0.25 3
  79 19.1 191
  80 1.8 18
  81 4.7 47
  82 0.05 1
  83 7.1 71
  84 0.6 6
  91 11 110
  92 0.31 3
  93 22.5 225
  94 99.99 999
  95 10 100
  96 0.05 1
  103 0.5 5
  105 4.7 47
  106 2.6 26
  107 0.51 5
  108 0.8 8
  109 0.6 6
  117 0.5 5
  119 0.26 3
  120 2 20
  121 9.6 96
  122 33.3 333
  123 0.37 4
  133 2 20
  134 1.1 11
  135 1.6 16
  136 0.08 1
  137 0.8 8
  147 1.3 13
  148 0.6 6
  161 0.26 3
  162 0.5 5
  176 0.5 5
  189 0.8 8
  204 0.8 8
//