MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP002753
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
//