ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004851
RECORD_TITLE: 7,11-DIMETHYL-3-METHYLENECYCLOTETRADECA-1(E),6(E),10(E)-TRIENE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KATO T, DEPT. OF CHEM., FAC. OF SCI., TOHOKU UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: 7,11-DIMETHYL-3-METHYLENECYCLOTETRADECA-1(E),6(E),10(E)-TRIENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₇H₂₆
CH$EXACT_MASS: 230.20345
CH$SMILES: CC(C1)=CCCC(C)=CCCC(=C)C=CCC1
CH$IUPAC: InChI=1S/C17H26/c1-15-9-5-4-6-10-16(2)12-8-14-17(3)13-7-11-15/h5,9,12-13H,1,4,6-8,10-11,14H2,2-3H3/b9-5-,16-12-,17-13-
CH$LINK: INCHIKEY IQUPQAZZFSHWOG-MESIBUNNSA-N

AC$INSTRUMENT: Unknown
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 25 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-06gi-4910000000-0a39fb3acc912f8e1a43
PK$NUM_PEAK: 76
PK$PEAK: m/z int. rel.int.
  15 1.8 18
  28 46.9 469
  40 1.2 12
  41 0.58 6
  43 13.7 137
  44 1.4 14
  53 3.8 38
  54 0.14 1
  55 17.6 176
  57 1.9 19
  58 3.4 34
  67 1.9 19
  68 5.4 54
  69 17.2 172
  70 2.1 21
  77 0.53 5
  78 3.8 38
  79 30.4 304
  80 12.2 122
  81 4.09 41
  82 3.6 36
  83 3 30
  91 24.6 246
  92 1.83 18
  93 43.5 435
  94 20.8 208
  95 23 230
  96 0.38 4
  97 1.8 18
  104 2.4 24
  105 41.2 412
  106 2.37 24
  107 31.7 317
  108 23.2 232
  109 19.7 197
  110 0.36 4
  111 6.1 61
  117 4.6 46
  118 8.6 86
  119 99.99 999
  120 45.5 455
  121 30.9 309
  122 7.6 76
  123 0.45 5
  131 6.3 63
  132 5.1 51
  133 29.7 297
  134 2.13 21
  135 22.2 222
  136 4.1 41
  137 1.6 16
  145 1.64 16
  146 5.8 58
  147 28.9 289
  148 18.7 187
  149 0.82 8
  150 10.7 107
  151 2.7 27
  159 24.4 244
  160 0.49 5
  161 8.9 89
  162 6.2 62
  163 1.2 12
  173 1.01 10
  174 10 100
  175 6.7 67
  187 13.4 134
  188 0.58 6
  189 1.8 18
  201 10.7 107
  202 2.8 28
  215 2.08 21
  216 3.3 33
  217 1.1 11
  230 34.5 345
  231 6.3 63
//