ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007301
RECORD_TITLE: 2ALPHA-ALLYL-2BETA-FORMYL-11ALPHA-METHOXY-6,6,8BETA-TRIMETHYL-5ALPHA-TRICYCLO(6.3.0.0(1,5))UNDECANE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: ITO S, DEPT. OF CHEM., TOHOKU UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: 2ALPHA-ALLYL-2BETA-FORMYL-11ALPHA-METHOXY-6,6,8BETA-TRIMETHYL-5ALPHA-TRICYCLO(6.3.0.0(1,5))UNDECANE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C19H30O2
CH$EXACT_MASS: 290.22458
CH$SMILES: C=CCC(C=O)(C2)C(C(OC)3)(C(C)(CC3)1)C([H])(C2)C(C)(C)C1
CH$IUPAC: InChI=1S/C19H30O2/c1-6-9-18(13-20)11-7-14-16(2,3)12-17(4)10-8-15(21-5)19(14,17)18/h6,13-15H,1,7-12H2,2-5H3/t14-,15+,17+,18+,19?/m0/s1
CH$LINK: INCHIKEY IYIFJDIXWYMMOQ-BTFQZXIOSA-N
AC$INSTRUMENT: HITACHI M-52
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 14 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0gb9-0390000000-accc3e25b6d08ebdc84d
PK$NUM_PEAK: 86
PK$PEAK: m/z int. rel.int.
  81 7 70
  93 2.3 23
  95 4.2 42
  96 0.23 2
  105 2.3 23
  107 2.8 28
  108 3.3 33
  109 1.54 15
  119 5.1 51
  121 2.8 28
  123 5.1 51
  131 0.37 4
  133 2.8 28
  134 5.1 51
  135 7.9 79
  137 0.51 5
  138 2.8 28
  145 8.4 84
  146 4.2 42
  147 0.51 5
  149 18.2 182
  150 6.5 65
  157 3.3 33
  159 0.75 8
  160 3.3 33
  161 24.2 242
  162 10.3 103
  163 0.79 8
  165 2.3 23
  173 14 140
  174 11.2 112
  175 1.07 11
  176 2.3 23
  177 9.3 93
  178 13.1 131
  179 1.4 14
  183 2.8 28
  184 4.7 47
  187 6.1 61
  188 0.33 3
  189 9.8 98
  190 4.2 42
  191 19.1 191
  192 0.79 8
  199 11.7 117
  200 6.5 65
  201 22.8 228
  202 1.03 10
  203 77.5 775
  204 15.4 154
  205 14.5 145
  206 0.37 4
  215 4.2 42
  216 5.1 51
  217 55 550
  218 1.4 14
  219 99.99 999
  220 14 140
  225 5.1 51
  229 0.21 2
  230 5.1 51
  231 3.3 33
  232 3.3 33
  233 0.65 7
  234 7.9 79
  235 3.3 33
  240 5.6 56
  243 0.89 9
  245 2.3 23
  246 2.3 23
  247 6.5 65
  248 0.65 7
  249 19.6 196
  250 6.5 65
  258 37.5 375
  259 1.49 15
  260 3.3 33
  261 47.5 475
  262 13.1 131
  263 0.23 2
  272 4.2 42
  274 2.3 23
  275 27 270
  276 0.56 6
  290 27.5 275
  291 5.1 51
//
