ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007303
RECORD_TITLE: 11ALPHA-(4-FORMYLBUTYL)-5BETA,7,7,11BETA-TETRAMETHYL-8ALPHA-TRICYCLO(6.3.0.0(1,5))UNDECAN-2-ONE; 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$NAME: 11ALPHA-(4-FORMYLBUTYL)-5BETA,7,7,11BETA-TETRAMETHYL-8ALPHA-TRICYCLO(6.3.0.0(1,5))UNDECAN-2-ONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C20H32O2
CH$EXACT_MASS: 304.24023
CH$SMILES: O=CCCCCC(C)(C2)C(C(=O)3)(C(C)(CC3)1)C([H])(C2)C(C)(C)C1
CH$IUPAC: InChI=1S/C20H32O2/c1-17(2)14-19(4)12-9-16(22)20(19)15(17)8-11-18(20,3)10-6-5-7-13-21/h13,15H,5-12,14H2,1-4H3/t15-,18+,19+,20?/m1/s1
CH$LINK: INCHIKEY SAAJYIFIQYHRGM-GQBHHSQQSA-N
AC$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 25 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-01b9-1910000000-7531742574f8961d0fc1
PK$NUM_PEAK: 74
PK$PEAK: m/z int. rel.int.
  43 12.2 122
  55 2.5 25
  57 4.7 47
  58 0.49 5
  69 4.1 41
  70 1.9 19
  71 3.1 31
  81 0.56 6
  82 4.7 47
  83 3.7 37
  84 5.8 58
  85 0.21 2
  86 3.9 39
  93 5.1 51
  94 3.7 37
  95 1.46 15
  96 2.9 29
  97 7.2 72
  105 2.7 27
  107 0.89 9
  108 11.5 115
  109 10.9 109
  110 3.7 37
  111 0.19 2
  112 2.9 29
  113 3.5 35
  119 4.1 41
  120 0.19 2
  121 14.6 146
  122 19.3 193
  123 31.8 318
  124 0.27 3
  133 3.9 39
  134 2.1 21
  135 7.6 76
  137 0.27 3
  138 1.9 19
  141 2.1 21
  142 3.1 31
  145 0.45 5
  147 5.8 58
  149 13 130
  150 2.5 25
  151 0.25 3
  161 7.6 76
  162 4.1 41
  163 31.8 318
  164 0.68 7
  165 99.99 999
  166 12.8 128
  173 2.9 29
  175 0.33 3
  177 3.3 33
  178 9.3 93
  179 3.5 35
  191 0.8 8
  192 2.9 29
  200 4.3 43
  202 2.3 23
  204 0.21 2
  218 9.1 91
  219 2.3 23
  228 2.1 21
  229 0.37 4
  230 2.7 27
  246 6.4 64
  247 3.7 37
  259 0.72 7
  260 2.1 21
  270 3.1 31
  285 14.8 148
  286 0.29 3
  288 1.9 19
  304 2.9 29
//
