ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002824
RECORD_TITLE: DELTA-CADINENE; 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$NAME: DELTA-CADINENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₅H₂₄
CH$EXACT_MASS: 204.18780
CH$SMILES: CC(C2)=CC([H])(C(C2)=1)C([H])(C(C)C)CCC(C)1
CH$IUPAC: InChI=1S/C15H24/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h9-10,13,15H,5-8H2,1-4H3/t13-,15-/m0/s1
CH$LINK: INCHIKEY FUCYIEXQVQJBKY-ZFWWWQNUSA-N
CH$LINK: COMPTOX DTXSID70858792

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$SPLASH: splash10-03e9-4910000000-d866d006ef5edc06b50d
PK$NUM_PEAK: 79
PK$PEAK: m/z int. rel.int.
  27 3.8 38
  29 3.2 32
  39 5 50
  40 0.05 1
  41 16.6 166
  42 1 10
  43 3.8 38
  51 0.16 2
  52 0.6 6
  53 4.5 45
  55 9 90
  56 0.06 1
  57 0.5 5
  63 0.8 8
  64 0.6 6
  65 0.38 4
  66 0.8 8
  67 3.6 36
  69 7.5 75
  70 0.06 1
  77 9 90
  78 2.5 25
  79 6.8 68
  80 0.11 1
  81 17.8 178
  82 1.2 12
  83 0.8 8
  89 0.06 1
  91 19 190
  92 6.1 61
  93 10.6 106
  94 0.13 1
  95 2.7 27
  103 2.2 22
  104 1.3 13
  105 0.35 4
  106 6.8 68
  107 4.3 43
  108 0.5 5
  109 0.01 0
  115 4.7 47
  116 2 20
  117 6.2 62
  118 0.03 0
  119 38.5 385
  121 3.1 31
  122 0.5 5
  127 0.15 2
  128 3.5 35
  129 3.8 38
  130 2 20
  131 0.48 5
  132 2 20
  133 10.6 106
  134 54.3 543
  135 0.62 6
  136 0.5 5
  141 1.1 11
  142 1 10
  143 0.11 1
  144 1 10
  145 4.8 48
  146 2.1 21
  147 0.55 6
  148 1 10
  157 0.8 8
  159 3.1 31
  160 0.27 3
  161 99.99 999
  162 19 190
  163 1.5 15
  175 0.01 0
  176 1.1 11
  189 17.3 173
  190 2.7 27
  203 0.08 1
  204 51 510
  205 8.5 85
  206 0.6 6
//