ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002750
RECORD_TITLE: TRIMETHYLSILYL CHOLESTEROL; 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$NAME: TRIMETHYLSILYL CHOLESTEROL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₃₀H₅₄OSi
CH$EXACT_MASS: 458.39439
CH$SMILES: C(C(C4)C(C3)(C)C(C4)([H])C(C2([H])C3)(CC=C(C12C)CC(CC1)O[Si](C)(C)C)[H])(CCCC(C)C)C
CH$IUPAC: InChI=1S/C30H54OSi/c1-21(2)10-9-11-22(3)26-14-15-27-25-13-12-23-20-24(31-32(6,7)8)16-18-29(23,4)28(25)17-19-30(26,27)5/h12,21-22,24-28H,9-11,13-20H2,1-8H3/t22-,24?,25+,26-,27+,28+,29+,30-/m1/s1
CH$LINK: INCHIKEY CBVJJGRSRFXUPK-HBOBSPHKSA-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$SPLASH: splash10-004i-1934000000-d0bdba04e45008899726
PK$NUM_PEAK: 202
PK$PEAK: m/z int. rel.int.
  55 2.2 22
  57 2.9 29
  67 2.6 26
  69 0.46 5
  71 3.8 38
  73 10.5 105
  74 1.2 12
  75 1.51 15
  76 1.1 11
  77 2 20
  79 4.5 45
  81 1.04 10
  82 1.3 13
  83 5.3 53
  85 1.4 14
  91 0.82 8
  92 2 20
  93 10.1 101
  94 2.7 27
  95 1.86 19
  96 1.9 19
  97 5.5 55
  101 1.6 16
  103 0.16 2
  104 1.4 14
  105 14.4 144
  106 5 50
  107 1.97 20
  108 4.2 42
  109 13.7 137
  110 2 20
  111 0.48 5
  113 1.3 13
  115 3 30
  116 2.3 23
  117 0.62 6
  118 3.6 36
  119 17.2 172
  120 11.7 117
  121 2.16 22
  122 3.9 39
  123 8.4 84
  124 1 10
  125 0.27 3
  127 1.9 19
  128 2.1 21
  129 73.2 732
  130 1.26 13
  131 14.4 144
  132 4.5 45
  133 15 150
  134 0.47 5
  135 14.1 141
  136 2.7 27
  137 4.9 49
  139 0.14 1
  141 2.7 27
  142 2.8 28
  143 13.3 133
  144 0.53 5
  145 25.7 257
  146 8.3 83
  147 18.6 186
  148 0.61 6
  149 9.4 94
  150 1.6 16
  151 4.1 41
  153 0.13 1
  155 6.1 61
  156 2.5 25
  157 7.5 75
  158 0.56 6
  159 20.4 204
  160 13.5 135
  161 17.6 176
  162 0.4 4
  163 10.9 109
  164 1.7 17
  165 3.9 39
  167 0.13 1
  168 1.2 12
  169 3.4 34
  170 1.6 16
  171 0.54 5
  172 2.7 27
  173 10 100
  174 3.8 38
  175 0.73 7
  176 1.5 15
  177 5.7 57
  178 1 10
  179 0.28 3
  180 1.1 11
  181 2.7 27
  182 1.6 16
  183 1.9 19
  184 0.1 1
  185 5 50
  186 2 20
  187 4.6 46
  188 0.16 2
  189 5.9 59
  190 1.1 11
  191 3.7 37
  192 0.12 1
  193 4.8 48
  194 1.3 13
  195 2.4 24
  196 0.25 3
  197 3.3 33
  198 1.5 15
  199 6.4 64
  200 0.29 3
  201 5.6 56
  202 1.5 15
  203 7.5 75
  204 0.14 1
  205 4 40
  206 3 30
  207 4.3 43
  208 0.14 1
  209 1.6 16
  211 2 20
  212 1.2 12
  213 1.59 16
  214 5.1 51
  215 6.9 69
  216 2.1 21
  217 0.73 7
  218 1.8 18
  219 5.7 57
  220 1.8 18
  221 0.16 2
  227 3.2 32
  228 4.3 43
  229 4.1 41
  230 0.11 1
  231 1.7 17
  233 5.5 55
  234 1.3 13
  235 0.17 2
  239 1.1 11
  241 2.5 25
  242 1 10
  243 0.1 1
  245 3.8 38
  246 3.5 35
  247 25.7 257
  248 0.6 6
  249 1.4 14
  251 1.2 12
  253 2.4 24
  254 0.1 1
  255 21.4 214
  256 4.9 49
  257 1.4 14
  259 0.42 4
  260 3.9 39
  261 2.4 24
  273 2.5 25
  274 0.31 3
  275 10.3 103
  276 2.4 24
  283 2.2 22
  287 0.1 1
  299 1.3 13
  300 1 10
  301 4 40
  302 0.12 1
  303 1 10
  311 1.5 15
  313 1.7 17
  314 0.23 2
  325 1.2 12
  326 3.6 36
  327 5.3 53
  328 1.43 14
  329 99.99 999
  330 26.3 263
  331 3.5 35
  339 0.2 2
  340 3 30
  351 1.3 13
  352 1.2 12
  353 4.08 41
  354 12.5 125
  355 2.6 26
  364 1.1 11
  366 0.3 3
  367 3.9 39
  368 63.9 639
  369 19.9 199
  370 0.34 3
  443 11.4 114
  444 4.4 44
  445 1.5 15
  456 0.12 1
  457 1.2 12
  458 16.3 163
  459 0.61 6
  460 2 20
  461 0.5 5
//