ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002847
RECORD_TITLE: EPI-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$NAME: EPI-BETA-SANTALENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₅H₂₄
CH$EXACT_MASS: 204.18780
CH$SMILES: CC(C)=CCCC(C)(C(=C)1)C([H])(C2)CC([H])(C2)1
CH$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-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$SPLASH: splash10-0006-9200000000-571f60ce8a1229229afd
PK$NUM_PEAK: 61
PK$PEAK: m/z int. rel.int.
  26 0.5 5
  27 5.2 52
  28 2.5 25
  29 0.46 5
  39 7.3 73
  40 1 10
  41 33.3 333
  42 0.15 2
  43 4.2 42
  51 1.5 15
  52 1 10
  53 0.68 7
  54 1 10
  55 13.5 135
  56 0.8 8
  57 0.06 1
  63 0.6 6
  65 3.8 38
  66 2 20
  67 1.52 15
  68 1.8 18
  69 16.8 168
  70 1 10
  75 0.05 1
  77 10 100
  78 2.3 23
  79 20.6 206
  80 0.22 2
  81 6.8 68
  82 5.5 55
  83 2.7 27
  91 1.25 13
  92 3.5 35
  93 25.5 255
  94 99.99 999
  95 1.15 12
  96 0.8 8
  103 0.6 6
  105 5.8 58
  106 0.25 3
  107 7.5 75
  108 1.6 16
  109 1.6 16
  115 0.05 1
  117 0.8 8
  119 4.2 42
  120 2 20
  121 0.1 1
  122 34.6 346
  123 4 40
  133 2.7 27
  134 0.15 2
  135 2.5 25
  136 0.8 8
  137 0.6 6
  147 0.15 2
  148 1.2 12
  161 6 60
  162 1 10
  189 0.08 1
  204 2.2 22
//