ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001881
RECORD_TITLE: 5-CHOLESTEN-3BETA-YL TRIMETHYLSILYL ETHER; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SEYAMA Y, DEPT. OF PHYSIOL. CHEMISTRY AND NUTRITION, FAC. OF MEDICINE, UNIV. OF TOKYO
LICENSE: CC BY-NC-SA

CH$NAME: 5-CHOLESTEN-3BETA-YL TRIMETHYLSILYL ETHER
CH$NAME: CHOLESTERYL TRIMETHYLSILYL ETHER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₃₀H₅₄OSi
CH$EXACT_MASS: 458.39439
CH$SMILES: C[Si](C)(C)OC([H])(C1)CCC(C([H])42)(C1=C([H])CC2(C(C3(C)CC4)([H])CCC3([H])C(C)CCCC(C)C)[H])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-OCBUSCMESA-N
CH$LINK: COMPTOX DTXSID70883761

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$SPLASH: splash10-004i-6913000000-e2f0bd0852200d0cdcd4
PK$NUM_PEAK: 191
PK$PEAK: m/z int. rel.int.
  39 1.9 19
  41 15.2 152
  42 1.7 17
  43 31.3 313
  44 1.5 15
  45 2.8 28
  47 1.2 12
  53 2.5 25
  55 25.5 255
  56 4.5 45
  57 29.3 293
  58 1.7 17
  59 3.3 33
  61 2.3 23
  65 1 10
  67 14 140
  68 2.2 22
  69 19.7 197
  70 2.8 28
  71 16.5 165
  72 1.7 17
  73 56.1 561
  74 5.2 52
  75 40 400
  76 3.3 33
  77 5.8 58
  78 1.7 17
  79 14 140
  80 2.2 22
  81 29 290
  82 3.4 34
  83 14.1 141
  84 1.3 13
  85 3.7 37
  89 2.4 24
  91 16.5 165
  92 4 40
  93 20.1 201
  94 4.6 46
  95 35.6 356
  96 3.5 35
  97 8.7 87
  99 1.4 14
  101 3.1 31
  103 2.8 28
  104 1.9 19
  105 23 230
  106 6.4 64
  107 28.6 286
  108 6.1 61
  109 19 190
  110 3 30
  111 6.8 68
  113 1.8 18
  115 3.8 38
  116 3.2 32
  117 7.7 77
  118 4 40
  119 25.8 258
  120 14.9 149
  121 28.6 286
  122 4.3 43
  123 8.9 89
  124 1.3 13
  125 3.4 34
  127 2.1 21
  128 2 20
  129 99.99 999
  130 16.1 161
  131 16.8 168
  132 5.8 58
  133 17.2 172
  134 4.9 49
  135 13.4 134
  136 2.2 22
  137 6.9 69
  139 1.2 12
  141 2.1 21
  142 2.1 21
  143 13.9 139
  144 5 50
  145 24.7 247
  146 7.4 74
  147 14.9 149
  148 4.9 49
  149 8.7 87
  150 1.3 13
  151 3.5 35
  153 1.4 14
  155 6 60
  156 1.9 19
  157 6.3 63
  158 4.3 43
  159 16 160
  160 11.1 111
  161 15 150
  162 3.5 35
  163 9.1 91
  164 1.3 13
  165 3.5 35
  167 1.2 12
  168 1.1 11
  169 3.3 33
  170 1 10
  171 4.6 46
  172 2 20
  173 8.3 83
  174 3.2 32
  175 6.4 64
  176 1.3 13
  177 4.3 43
  178 1 10
  179 2.6 26
  181 2.5 25
  182 1.5 15
  183 1.9 19
  185 4.1 41
  186 1.6 16
  187 3.9 39
  188 1.2 12
  189 5.1 51
  191 2.6 26
  193 3.5 35
  194 1.1 11
  195 2 20
  196 2.1 21
  197 2.8 28
  198 1 10
  199 4.6 46
  200 1.8 18
  201 4.2 42
  202 1 10
  203 6.4 64
  204 1.2 12
  205 3 30
  206 2.2 22
  207 2.5 25
  209 1.1 11
  213 9.8 98
  214 3.1 31
  215 3.3 33
  217 5.6 56
  218 1.3 13
  219 2.9 29
  220 1.3 13
  221 1.4 14
  227 2.6 26
  228 2.5 25
  229 3.1 31
  231 1.2 12
  233 4.1 41
  234 1 10
  237 1.2 12
  241 1.9 19
  245 2.3 23
  246 2.2 22
  247 16.1 161
  248 3.6 36
  255 13.3 133
  256 2.9 29
  259 2.7 27
  260 1.8 18
  261 1.4 14
  273 1.6 16
  274 3 30
  275 8.3 83
  276 1.9 19
  283 1.2 12
  301 3.7 37
  311 1 10
  313 1.2 12
  326 2.9 29
  327 4.4 44
  328 16.5 165
  329 91 910
  330 23.2 232
  331 3.1 31
  339 1.1 11
  340 2.3 23
  353 30.9 309
  354 9.2 92
  355 1.3 13
  367 3.3 33
  368 61.2 612
  369 18 180
  370 3 30
  443 10 100
  444 3.8 38
  458 26.6 266
  459 10.2 102
  460 2.7 27
//