ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004854
RECORD_TITLE: 3,7,11-TRIMETHYLCYCLOTETRADECA-2(E),6(E),10(E)-TRIENYL ACETATE; 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$NAME: 3,7,11-TRIMETHYLCYCLOTETRADECA-2(E),6(E),10(E)-TRIENYL ACETATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C19H30O2
CH$EXACT_MASS: 290.22458
CH$SMILES: CC(=O)OC(C1)C([H])=C(C)CCC([H])=C(C)CCC([H])=C(C)CC1
CH$IUPAC: InChI=1S/C19H30O2/c1-15-8-5-9-16(2)11-7-13-19(21-18(4)20)14-17(3)12-6-10-15/h9-10,14,19H,5-8,11-13H2,1-4H3/b15-10+,16-9+,17-14+
CH$LINK: INCHIKEY HJROHJIWKNEPNB-ZBUIQZEKSA-N
AC$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: splash10-0fbc-1920000000-bb3148172c51c99edcb2
PK$NUM_PEAK: 86
PK$PEAK: m/z int. rel.int.
  75 4.6 46
  77 51.1 511
  78 50.3 503
  88 1.93 19
  89 1.2 12
  92 2.6 26
  101 3.2 32
  102 0.21 2
  103 42 420
  105 4.1 41
  115 4.1 41
  117 4.83 48
  118 17.3 173
  120 5.9 59
  127 13.1 131
  128 1.26 13
  129 11.9 119
  130 1.2 12
  131 1.2 12
  137 0.18 2
  138 2 20
  139 64.9 649
  140 12.5 125
  141 99.99 999
  142 10.7 107
  143 6.2 62
  144 4.2 42
  145 0.12 1
  151 20.4 204
  152 8 80
  153 48.7 487
  154 9.88 99
  155 25.1 251
  156 5.3 53
  157 4.6 46
  158 0.22 2
  165 31.2 312
  166 28.1 281
  167 67 670
  168 2.9 29
  169 16.4 164
  170 2.4 24
  171 3.9 39
  177 0.36 4
  178 5.8 58
  179 43.2 432
  180 32 320
  181 4.45 45
  182 17.4 174
  183 10.3 103
  184 2.2 22
  185 0.15 2
  191 10.5 105
  192 5.5 55
  193 27.3 273
  194 2.9 29
  195 21 210
  196 10 100
  197 3.3 33
  205 1.89 19
  206 6.6 66
  207 37.1 371
  208 24.3 243
  209 1.79 18
  210 4.1 41
  211 1.5 15
  219 21.4 214
  220 1.05 11
  221 11.5 115
  222 7.5 75
  223 3.1 31
  224 0.1 1
  233 12.2 122
  234 7.7 77
  235 10.4 104
  236 0.21 2
  247 9.6 96
  248 5.1 51
  249 8.5 85
  261 0.85 9
  262 4.6 46
  275 21 210
  276 3.8 38
  290 3.29 33
  291 6.9 69
  292 1.1 11
//
