ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002753
RECORD_TITLE: TRIMETHYLSILYL STIGMASTEROL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HAYASHI A, DEPT. OF CHEMISTRY, FAC. OF SCI. AND TECHNOLOGY, KINKI UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: TRIMETHYLSILYL STIGMASTEROL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₃₂H₅₆OSi
CH$EXACT_MASS: 484.41004
CH$SMILES: C(C32[H])(C(C4)([H])C(C([H])(C4)C([H])(C)C=CC(CC)([H])C(C)C)(C)CC3)(CC=C(C21C)CC(CC1)(O[Si](C)(C)C)[H])[H]
CH$IUPAC: InChI=1S/C32H56OSi/c1-10-24(22(2)3)12-11-23(4)28-15-16-29-27-14-13-25-21-26(33-34(7,8)9)17-19-31(25,5)30(27)18-20-32(28,29)6/h11-13,22-24,26-30H,10,14-21H2,1-9H3/b12-11+/t23-,24-,26+,27+,28-,29+,30+,31+,32-/m1/s1
CH$LINK: INCHIKEY SZLWSWKRZSAHBC-MZXORBNVSA-N

AC$INSTRUMENT: SHIMADZU LKB-9000B
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-057j-2932000000-4508e0e52a7847dc3ee2
PK$NUM_PEAK: 228
PK$PEAK: m/z int. rel.int.
  55 8.1 81
  57 3 30
  67 4.9 49
  69 1.75 18
  70 1.3 13
  71 5 50
  73 17.9 179
  74 0.18 2
  75 17.9 179
  76 1.4 14
  77 3.2 32
  79 0.81 8
  80 1.3 13
  81 24 240
  82 2.9 29
  83 7.24 72
  84 6 60
  85 2.7 27
  89 1.1 11
  91 1.17 12
  92 2.4 24
  93 17.1 171
  94 3.8 38
  95 2.16 22
  96 4.3 43
  97 22.5 225
  98 2.1 21
  101 0.13 1
  103 2.3 23
  104 1.2 12
  105 20.4 204
  106 0.45 5
  107 25.9 259
  108 4.5 45
  109 18.8 188
  110 0.41 4
  111 4.3 43
  115 3.4 34
  116 1.7 17
  117 0.8 8
  118 2.9 29
  119 26.6 266
  120 11.8 118
  121 2.09 21
  122 4.2 42
  123 14 140
  124 2.5 25
  125 0.15 2
  127 1 10
  128 2.3 23
  129 99.99 999
  130 1.51 15
  131 21.1 211
  132 5.7 57
  133 41.9 419
  134 0.75 8
  135 16.2 162
  136 2.6 26
  137 7.7 77
  138 0.21 2
  139 40.8 408
  140 4.6 46
  141 2.9 29
  142 0.25 3
  143 16.7 167
  144 5.6 56
  145 38 380
  146 0.93 9
  147 31.4 314
  148 5.6 56
  149 9.7 97
  150 0.14 1
  151 3.3 33
  155 7.6 76
  156 2.7 27
  157 1.4 14
  158 9.1 91
  159 43.3 433
  160 9.8 98
  161 2.18 22
  162 4 40
  163 6.8 68
  164 1.7 17
  165 0.32 3
  166 1.8 18
  167 1.2 12
  168 1.4 14
  169 0.65 7
  170 2 20
  171 8.8 88
  172 3.5 35
  173 1.64 16
  174 4.2 42
  175 7.6 76
  176 1.5 15
  177 0.31 3
  178 1.9 19
  179 1.7 17
  181 3 30
  182 0.21 2
  183 3.5 35
  184 1.5 15
  185 9.2 92
  186 0.34 3
  187 8.3 83
  188 3 30
  189 10.4 104
  190 0.18 2
  191 2.7 27
  193 1.2 12
  194 1 10
  195 0.26 3
  196 3.5 35
  197 6.2 62
  198 2.2 22
  199 1.3 13
  200 3.9 39
  201 7.9 79
  202 2.3 23
  203 0.37 4
  205 2 20
  209 1.3 13
  211 7.7 77
  212 0.37 4
  213 26.8 268
  214 7.4 74
  215 20.1 201
  216 0.45 5
  217 6.4 64
  218 1.3 13
  219 1.6 16
  221 0.1 1
  223 1.3 13
  225 3.5 35
  226 2.4 24
  227 0.84 8
  228 10.3 103
  229 7.2 72
  230 1.6 16
  231 0.24 2
  233 1.4 14
  235 1.1 11
  237 1 10
  239 0.72 7
  240 4.7 47
  241 7.8 78
  242 2.9 29
  243 0.85 9
  244 1.9 19
  245 1.9 19
  247 1.2 12
  249 0.1 1
  251 1.2 12
  253 18.7 187
  254 8.8 88
  255 9.57 96
  256 21 210
  257 10.8 108
  258 2.1 21
  259 0.13 1
  267 6.3 63
  268 2 20
  269 2.4 24
  271 1.26 13
  272 3.3 33
  273 4.1 41
  274 1.2 12
  281 0.77 8
  282 10.5 105
  283 10.6 106
  284 2.4 24
  285 0.18 2
  295 4.7 47
  296 3.5 35
  297 1.3 13
  300 0.16 2
  301 2.9 29
  302 1 10
  303 1.5 15
  309 0.54 5
  310 1.9 19
  311 1.2 12
  318 2.6 26
  319 0.1 1
  327 2 20
  329 1.9 19
  330 2.4 24
  331 0.18 2
  339 1 10
  340 1 10
  342 1.8 18
  343 0.88 9
  344 5.7 57
  345 3.7 37
  346 1.1 11
  351 3.84 38
  352 13.6 136
  353 6.4 64
  354 13.5 135
  355 2.77 28
  356 7.6 76
  357 2.4 24
  365 3.2 32
  366 0.34 3
  367 1 10
  371 1.5 15
  372 6.9 69
  373 0.31 3
  374 1.1 11
  379 22.5 225
  380 7.2 72
  381 0.13 1
  386 1.7 17
  392 1.7 17
  393 2.5 25
  394 5.56 56
  395 17.6 176
  396 3 30
  441 1.8 18
  443 0.12 1
  469 9.8 98
  470 3.8 38
  471 1.1 11
  472 0.13 1
  483 1.2 12
  484 29.7 297
  486 11.4 114
  487 3.5 35
//