ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002702
RECORD_TITLE: ERGOSTEROL-TRIMETHYLSILYL-ETHER; 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$NAME: ERGOSTEROL-TRIMETHYLSILYL-ETHER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₃₁H₅₂OSi
CH$EXACT_MASS: 468.37874
CH$SMILES: CC(C4)(C=3CC(O[Si](C)(C)C)C4)C(C1=CC3)(CCC(C([H])(C([H])(C)C=CC([H])(C)C(C)C)2)(C1([H])CC2)C)[H]
CH$IUPAC: InChI=1S/C31H52OSi/c1-21(2)22(3)10-11-23(4)27-14-15-28-26-13-12-24-20-25(32-33(7,8)9)16-18-30(24,5)29(26)17-19-31(27,28)6/h10-13,21-23,25,27-29H,14-20H2,1-9H3/b11-10+/t22-,23+,25-,27+,28-,29-,30-,31+/m0/s1
CH$LINK: CAS 2625-45-8
CH$LINK: INCHIKEY OPWXUPLJCANTIU-SCFYJWQTSA-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$SPLASH: splash10-03dr-2947000000-1504c76410b50d6eba8d
PK$NUM_PEAK: 192
PK$PEAK: m/z int. rel.int.
  55 4.2 42
  57 2.1 21
  67 2.9 29
  69 16.6 166
  70 1.6 16
  71 1.8 18
  73 12.9 129
  74 0.15 2
  76 8.9 89
  77 1.6 16
  79 3 30
  81 1.06 11
  82 1.4 14
  83 6.2 62
  91 5.1 51
  93 0.55 6
  94 1.1 11
  95 6.6 66
  97 3 30
  103 0.1 1
  105 7.4 74
  106 1.7 17
  107 7.9 79
  108 0.11 1
  109 9 90
  110 1.2 12
  111 1.7 17
  115 0.31 3
  116 1.3 13
  117 3.9 39
  118 2.4 24
  119 2.19 22
  120 2.1 21
  121 3.7 37
  123 3.9 39
  124 0.11 1
  125 9.5 95
  126 1.5 15
  128 3.8 38
  129 1.36 14
  130 4.1 41
  131 27 270
  132 4.6 46
  133 0.77 8
  134 1.7 17
  135 4.3 43
  137 2.8 28
  141 0.6 6
  142 3.6 36
  143 22.8 228
  144 19.8 198
  145 2.12 21
  146 4.1 41
  147 5.8 58
  149 2.4 24
  151 0.13 1
  153 1.6 16
  154 1 10
  155 9.2 92
  156 0.39 4
  157 22.5 225
  158 8.9 89
  159 19.7 197
  160 0.34 3
  161 3.2 32
  163 1.5 15
  165 1.6 16
  167 0.26 3
  168 3.2 32
  169 12.6 126
  170 4.5 45
  171 1.14 11
  172 3.6 36
  173 4.8 48
  174 2.2 22
  175 0.16 2
  178 1 10
  179 1.4 14
  180 1.4 14
  181 0.46 5
  182 3.8 38
  183 11 110
  184 4.1 41
  185 1.26 13
  186 3.1 31
  187 4.1 41
  191 1 10
  192 0.1 1
  193 1.9 19
  194 2.4 24
  195 6.2 62
  196 0.46 5
  197 15.7 157
  198 5.7 57
  199 15.5 155
  200 0.36 4
  201 3.6 36
  205 1.6 16
  206 1 10
  207 0.13 1
  208 1.2 12
  209 6.5 65
  210 3.5 35
  211 2.57 26
  212 6 60
  213 11 110
  214 2.6 26
  215 0.13 1
  219 1.1 11
  221 2.7 27
  222 1.2 12
  223 0.37 4
  224 3.1 31
  225 7 70
  226 7.5 75
  227 0.87 9
  228 2.4 24
  229 1.8 18
  230 1.1 11
  232 0.11 1
  235 2.3 23
  236 1.9 19
  237 7.8 78
  238 0.45 5
  239 7.1 71
  240 1.8 18
  241 1.8 18
  242 0.1 1
  247 1.7 17
  248 1.2 12
  249 2.9 29
  250 0.24 2
  251 16 160
  252 6.2 62
  253 39 390
  254 0.84 8
  255 3.1 31
  265 1.9 19
  267 1.8 18
  268 0.14 1
  272 1.1 11
  279 2.2 22
  280 1.8 18
  281 0.18 2
  285 1 10
  287 1.2 12
  289 1.3 13
  293 0.23 2
  294 1 10
  295 1 10
  301 1.2 12
  307 0.12 1
  310 2 20
  323 1.8 18
  324 1 10
  325 0.12 1
  326 3.1 31
  327 1.2 12
  328 2 20
  335 0.26 3
  336 1.7 17
  337 66 660
  338 20.3 203
  339 0.47 5
  340 1.2 12
  341 2.6 26
  342 1.3 13
  343 0.4 4
  344 1.7 17
  345 1.2 12
  348 1 10
  349 0.16 2
  350 1.9 19
  352 1 10
  361 3.3 33
  362 0.45 5
  363 99.99 999
  364 29.3 293
  365 4 40
  374 0.12 1
  376 8.2 82
  377 7 70
  378 23.9 239
  379 0.78 8
  380 1.3 13
  453 2.6 26
  454 1 10
  455 0.11 1
  466 1.7 17
  467 1 10
  468 21 210
  469 1.7 17
//