ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002831
RECORD_TITLE: DELTA-ELEMENE; 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$NAME: DELTA-ELEMENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₅H₂₄
CH$EXACT_MASS: 204.18780
CH$SMILES: CC(C)C(C1)=CC([H])(C(C)=C)C(C)(C=C)C1
CH$IUPAC: InChI=1S/C15H24/c1-7-15(6)9-8-13(11(2)3)10-14(15)12(4)5/h7,10-11,14H,1,4,8-9H2,2-3,5-6H3/t14-,15+/m1/s1
CH$LINK: INCHIKEY MXDMETWAEGIFOE-CABCVRRESA-N
CH$LINK: COMPTOX DTXSID10149196

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$SPLASH: splash10-00du-6900000000-45f0aaceb4efe9a71730
PK$NUM_PEAK: 65
PK$PEAK: m/z int. rel.int.
  27 8.6 86
  39 11 110
  41 31.1 311
  42 0.1 1
  43 21.1 211
  51 2.5 25
  52 1.5 15
  53 1.21 12
  54 1 10
  55 12.7 127
  57 0.8 8
  64 0.05 1
  65 6.1 61
  66 2 20
  67 7.6 76
  68 0.22 2
  69 4 40
  77 20.6 206
  78 2.3 23
  79 1.98 20
  80 5.5 55
  81 7.3 73
  82 0.5 5
  89 0.08 1
  90 0.8 8
  91 22.5 225
  92 10.1 101
  93 8.58 86
  94 15.5 155
  95 3.2 32
  103 1 10
  104 0.06 1
  105 16.1 161
  106 3 30
  107 15 150
  108 0.52 5
  109 1.5 15
  119 7.5 75
  120 2.2 22
  121 99.99 999
  122 11.6 116
  123 1.3 13
  127 0.8 8
  128 0.13 1
  129 1.1 11
  130 0.8 8
  131 0.5 5
  133 0.11 1
  134 1.5 15
  135 2.1 21
  136 74 740
  137 0.08 1
  138 0.5 5
  145 1 10
  147 1.6 16
  148 0.17 2
  160 1.3 13
  161 30 300
  162 5.5 55
  175 0.08 1
  176 0.5 5
  189 3.1 31
  190 0.5 5
  204 0.61 6
  205 1 10
//