MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP002751
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002751
RECORD_TITLE: TRIMETHYLSILYL 24-METHYLENECHOLESTEROL; 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$NAME: TRIMETHYLSILYL 24-METHYLENECHOLESTEROL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C31H54OSi
CH$EXACT_MASS: 470.39439
CH$SMILES: C(C2([H])4)(C(C3)([H])C(CC4)(C(C3)C(C)CCC(C(C)C)=C)C)(CC=C(C12C)CC(CC1)O[Si](C)(C)C)[H]
CH$IUPAC: InChI=1S/C31H54OSi/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/h12,21,23,25-29H,3,10-11,13-20H2,1-2,4-9H3/t23-,25+,26+,27-,28+,29+,30+,31-/m1/s1
CH$LINK: INCHIKEY
HHNSXGBDYOSLLW-BWVDWJPHSA-N
AC$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: splash10-004j-2942000000-dd14ec25a140614b4e07
PK$NUM_PEAK: 232
PK$PEAK: m/z int. rel.int.
55 4.8 48
57 1.1 11
67 4.7 47
68 0.11 1
69 11.8 118
71 1.4 14
73 18.2 182
74 0.19 2
75 18.8 188
76 1.5 15
77 2.9 29
79 0.73 7
80 1.2 12
81 17.4 174
82 1.8 18
83 1.13 11
84 2.1 21
89 1.1 11
91 11.7 117
92 0.25 3
93 15.4 154
94 4 40
95 25.6 256
96 0.31 3
97 14.7 147
98 1.5 15
101 1.8 18
103 0.22 2
104 1.6 16
105 19.6 196
106 5.4 54
107 2.81 28
108 5.8 58
109 20.9 209
110 2.6 26
111 0.59 6
115 3.7 37
116 2.4 24
117 7.5 75
118 0.41 4
119 33.9 339
120 13.6 136
121 28.9 289
122 0.48 5
123 14.7 147
124 4.1 41
125 7.6 76
126 0.12 1
127 1.7 17
128 2.3 23
129 99.99 999
130 1.64 16
131 19.4 194
132 6.6 66
133 23.8 238
134 0.63 6
135 18.5 185
136 3 30
137 7.9 79
138 0.1 1
139 1 10
141 3 30
142 3.4 34
143 1.85 19
144 6.6 66
145 30.5 305
146 9.9 99
147 2.36 24
148 6.1 61
149 12.9 129
150 3.1 31
151 0.64 6
152 1.1 11
153 1.4 14
154 1.1 11
155 0.69 7
156 3.7 37
157 11.1 111
158 9.7 97
159 2.84 28
160 14.3 143
161 25.6 256
162 5 50
163 1.45 15
164 2.7 27
165 3.3 33
166 1 10
167 0.13 1
168 1.6 16
169 5 50
170 1.9 19
171 0.9 9
172 4.6 46
173 13.5 135
174 4.6 46
175 1.41 14
176 2.9 29
177 6.7 67
178 1.7 17
179 0.22 2
180 1.1 11
181 2.9 29
182 1.9 19
183 0.38 4
184 1.6 16
185 7.5 75
186 3.1 31
187 0.86 9
188 3.2 32
189 11.5 115
190 2.2 22
191 0.35 4
193 2.9 29
194 1.3 13
195 2.7 27
196 0.33 3
197 5.8 58
198 2.5 25
199 9.5 95
200 0.37 4
201 8.2 82
202 2.9 29
203 8.2 82
204 0.17 2
205 2.8 28
207 1.3 13
209 1.7 17
210 0.11 1
211 9.2 92
212 4 40
213 20.3 203
214 0.7 7
215 10.8 108
216 2.6 26
217 9.6 96
218 0.21 2
219 3.5 35
220 1.2 12
221 1.5 15
225 0.36 4
226 2.2 22
227 8.2 82
228 7.6 76
229 0.71 7
230 1.3 13
231 3.8 38
232 1.1 11
233 0.24 2
235 1.4 14
239 4.4 44
240 2.5 25
241 0.49 5
242 1.9 19
243 10.4 104
244 2.3 23
245 0.4 4
246 1.2 12
247 1.5 15
248 1 10
251 0.11 1
252 1.5 15
253 21.3 213
254 8 80
255 1.56 16
256 6 60
257 28.1 281
258 6.8 68
259 1.28 13
260 3.2 32
267 3.6 36
268 1.9 19
269 0.2 2
270 1.4 14
271 3.8 38
272 1.6 16
273 0.13 1
281 19.7 197
282 6.7 67
283 11.4 114
284 0.27 3
285 2.1 21
286 2.2 22
287 3.4 34
288 0.1 1
295 2.2 22
296 29.3 293
297 8.8 88
298 0.17 2
299 1 10
301 1.3 13
303 1.7 17
304 0.13 1
313 2.7 27
314 1.1 11
315 1.6 16
318 0.12 1
323 1 10
325 1.4 14
326 1.3 13
337 0.23 2
338 3.1 31
339 4.8 48
340 10.2 102
341 4.28 43
342 14 140
343 14.8 148
344 6.4 64
345 0.25 3
351 1.6 16
352 2.4 24
365 23.8 238
366 0.81 8
367 1.5 15
371 6.3 63
372 0.39 4
373 1.7 17
378 1.9 19
379 2 20
380 3.54 35
381 11.7 117
382 2.1 21
386 24.4 244
387 0.89 9
388 2.4 24
455 11.5 115
456 4.2 42
458 0.15 2
468 1.1 11
469 1.1 11
470 10.5 105
471 0.39 4
472 1.3 13
//
system version 2.2.6-SNAPSHOT
