MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP002754
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002754
RECORD_TITLE: TRIMETHYLSILYL BETA-SITOSTEROL; 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$NAME: TRIMETHYLSILYL BETA-SITOSTEROL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C32H58OSi
CH$EXACT_MASS: 486.42569
CH$SMILES: C(C([H])41)(CCC([H])(C([H])42)C(C)(C3)C(CC(C3)O[Si](C)(C)C)=CC2)(C)C(CC1)C(CCC([H])(C(C)C)CC)C
CH$IUPAC: InChI=1S/C32H58OSi/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/h13,22-24,26-30H,10-12,14-21H2,1-9H3/t23-,24-,26?,27+,28-,29+,30+,31+,32-/m1/s1
CH$LINK: INCHIKEY
XEWVATFZTBNDCF-JVZNPHIBSA-N
AC$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: splash10-0a4j-1935000000-55f0a56c7e8574952233
PK$NUM_PEAK: 267
PK$PEAK: m/z int. rel.int.
55 2.8 28
57 3.5 35
67 3.5 35
69 0.65 7
71 4.7 47
73 11.4 114
74 1.3 13
75 2.04 20
76 2.1 21
77 2.6 26
79 5.3 53
80 0.1 1
81 15.2 152
82 1.5 15
83 6.2 62
84 0.1 1
85 9.7 97
89 1.1 11
91 9.6 96
92 0.33 3
93 12 120
94 3.6 36
95 21.5 215
96 0.22 2
97 7.9 79
98 1 10
99 3.1 31
101 0.19 2
103 2 20
104 1.8 18
105 17.9 179
106 0.78 8
107 27.2 272
108 7 70
109 17.7 177
110 0.29 3
111 9.1 91
112 1.1 11
113 1.2 12
115 0.31 3
116 2 20
117 7.2 72
118 4.3 43
119 2.1 21
120 14.6 146
121 29.3 293
122 5.8 58
123 1.13 11
124 1.7 17
125 4.6 46
127 1.7 17
128 0.26 3
129 77.4 774
130 13.2 132
131 18.7 187
132 0.59 6
133 21.8 218
134 7.1 71
135 18.9 189
136 0.5 5
137 7.4 74
138 1.3 13
139 2.8 28
141 0.44 4
142 6.8 68
143 17.3 173
144 6.6 66
145 3.4 34
146 11.1 111
147 26.7 267
148 9.6 96
149 1.3 13
150 2.6 26
151 4.4 44
152 1.2 12
153 0.17 2
154 1.1 11
155 9.7 97
156 4.2 42
157 0.87 9
158 7.3 73
159 26 260
160 17 170
161 2.37 24
162 6.1 61
163 16.5 165
164 2.9 29
165 0.41 4
166 1.6 16
167 1.9 19
168 1.9 19
169 0.38 4
170 1.8 18
171 7 70
172 3.5 35
173 1.3 13
174 5.4 54
175 10.7 107
176 2.9 29
177 0.9 9
178 2.5 25
179 3.4 34
180 1.4 14
181 0.36 4
182 2.1 21
183 3.7 37
184 1.4 14
185 0.69 7
186 2.8 28
187 6.2 62
188 2.6 26
189 0.87 9
190 2.9 29
191 5.4 54
192 1.5 15
193 0.27 3
194 1.3 13
195 3.1 31
196 4 40
197 0.46 5
198 1.9 19
199 8.5 85
200 3.5 35
201 1.01 10
202 3.2 32
203 8.9 89
204 2.2 22
205 0.33 3
206 1.1 11
207 1.7 17
208 1.4 14
209 0.28 3
210 1.3 13
211 3.2 32
212 1.8 18
213 1.91 19
214 6.8 68
215 23.1 231
216 11.4 114
217 1.59 16
218 3.6 36
219 2.9 29
220 1.3 13
221 0.38 4
222 1.4 14
223 1 10
224 1.1 11
225 0.12 1
227 4.6 46
228 5.6 56
229 6.4 64
230 0.51 5
231 4.3 43
232 1.2 12
233 3.3 33
234 0.28 3
235 4.1 41
236 1.1 11
237 2.4 24
238 0.12 1
239 2.1 21
241 3.6 36
242 1.3 13
243 0.2 2
244 1 10
245 3.4 34
246 1.3 13
247 0.54 5
248 1.5 15
249 1.7 17
250 1.2 12
251 0.17 2
252 1 10
253 4.5 45
254 2.2 22
255 2.86 29
256 6.4 64
257 4.7 47
258 1.3 13
259 0.42 4
260 1.3 13
261 4.5 45
262 1.2 12
263 0.1 1
269 1.5 15
271 1.5 15
273 3.7 37
274 0.4 4
275 22.8 228
276 5.1 51
277 1.2 12
281 0.12 1
283 4.1 41
284 1.4 14
285 1.8 18
287 0.43 4
288 5 50
289 3 30
290 2.4 24
291 0.16 2
301 2.3 23
302 3.3 33
303 8.4 84
304 0.26 3
305 5.9 59
306 3.4 34
307 1.3 13
313 0.12 1
315 1.8 18
316 1 10
317 1.4 14
320 0.15 2
327 1.4 14
328 1.2 12
329 5.6 56
330 0.15 2
331 1.1 11
339 2 20
340 1.1 11
341 0.21 2
342 3.1 31
343 2.3 23
344 2.1 21
345 0.22 2
353 2.8 28
354 4.5 45
355 6.4 64
356 1.63 16
357 99.99 999
358 27.6 276
359 4.9 49
366 0.12 1
367 3.2 32
368 3.8 38
369 1.9 19
370 0.11 1
378 1 10
379 2.2 22
380 1.5 15
381 3.99 40
382 13.3 133
383 9.6 96
384 2.8 28
388 0.12 1
390 1.6 16
392 2.2 22
394 3.9 39
395 0.42 4
396 71.8 718
397 24 240
398 8.7 87
399 0.21 2
431 2.8 28
432 1 10
457 1 10
458 0.15 2
471 10.8 108
472 4.7 47
473 10.3 103
474 0.41 4
476 1.4 14
484 1.6 16
485 1.7 17
486 1.84 18
487 7.7 77
488 5.6 56
489 1.6 16
//
