MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP002750
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002750
RECORD_TITLE: TRIMETHYLSILYL CHOLESTEROL; 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$NAME: TRIMETHYLSILYL CHOLESTEROL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C30H54OSi
CH$EXACT_MASS: 458.39439
CH$SMILES: C(C(C4)C(C3)(C)C(C4)([H])C(C2([H])C3)(CC=C(C12C)CC(CC1)O[Si](C)(C)C)[H])(CCCC(C)C)C
CH$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$LINK: INCHIKEY
CBVJJGRSRFXUPK-HBOBSPHKSA-N
AC$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: splash10-004i-1934000000-d0bdba04e45008899726
PK$NUM_PEAK: 202
PK$PEAK: m/z int. rel.int.
55 2.2 22
57 2.9 29
67 2.6 26
69 0.46 5
71 3.8 38
73 10.5 105
74 1.2 12
75 1.51 15
76 1.1 11
77 2 20
79 4.5 45
81 1.04 10
82 1.3 13
83 5.3 53
85 1.4 14
91 0.82 8
92 2 20
93 10.1 101
94 2.7 27
95 1.86 19
96 1.9 19
97 5.5 55
101 1.6 16
103 0.16 2
104 1.4 14
105 14.4 144
106 5 50
107 1.97 20
108 4.2 42
109 13.7 137
110 2 20
111 0.48 5
113 1.3 13
115 3 30
116 2.3 23
117 0.62 6
118 3.6 36
119 17.2 172
120 11.7 117
121 2.16 22
122 3.9 39
123 8.4 84
124 1 10
125 0.27 3
127 1.9 19
128 2.1 21
129 73.2 732
130 1.26 13
131 14.4 144
132 4.5 45
133 15 150
134 0.47 5
135 14.1 141
136 2.7 27
137 4.9 49
139 0.14 1
141 2.7 27
142 2.8 28
143 13.3 133
144 0.53 5
145 25.7 257
146 8.3 83
147 18.6 186
148 0.61 6
149 9.4 94
150 1.6 16
151 4.1 41
153 0.13 1
155 6.1 61
156 2.5 25
157 7.5 75
158 0.56 6
159 20.4 204
160 13.5 135
161 17.6 176
162 0.4 4
163 10.9 109
164 1.7 17
165 3.9 39
167 0.13 1
168 1.2 12
169 3.4 34
170 1.6 16
171 0.54 5
172 2.7 27
173 10 100
174 3.8 38
175 0.73 7
176 1.5 15
177 5.7 57
178 1 10
179 0.28 3
180 1.1 11
181 2.7 27
182 1.6 16
183 1.9 19
184 0.1 1
185 5 50
186 2 20
187 4.6 46
188 0.16 2
189 5.9 59
190 1.1 11
191 3.7 37
192 0.12 1
193 4.8 48
194 1.3 13
195 2.4 24
196 0.25 3
197 3.3 33
198 1.5 15
199 6.4 64
200 0.29 3
201 5.6 56
202 1.5 15
203 7.5 75
204 0.14 1
205 4 40
206 3 30
207 4.3 43
208 0.14 1
209 1.6 16
211 2 20
212 1.2 12
213 1.59 16
214 5.1 51
215 6.9 69
216 2.1 21
217 0.73 7
218 1.8 18
219 5.7 57
220 1.8 18
221 0.16 2
227 3.2 32
228 4.3 43
229 4.1 41
230 0.11 1
231 1.7 17
233 5.5 55
234 1.3 13
235 0.17 2
239 1.1 11
241 2.5 25
242 1 10
243 0.1 1
245 3.8 38
246 3.5 35
247 25.7 257
248 0.6 6
249 1.4 14
251 1.2 12
253 2.4 24
254 0.1 1
255 21.4 214
256 4.9 49
257 1.4 14
259 0.42 4
260 3.9 39
261 2.4 24
273 2.5 25
274 0.31 3
275 10.3 103
276 2.4 24
283 2.2 22
287 0.1 1
299 1.3 13
300 1 10
301 4 40
302 0.12 1
303 1 10
311 1.5 15
313 1.7 17
314 0.23 2
325 1.2 12
326 3.6 36
327 5.3 53
328 1.43 14
329 99.99 999
330 26.3 263
331 3.5 35
339 0.2 2
340 3 30
351 1.3 13
352 1.2 12
353 4.08 41
354 12.5 125
355 2.6 26
364 1.1 11
366 0.3 3
367 3.9 39
368 63.9 639
369 19.9 199
370 0.34 3
443 11.4 114
444 4.4 44
445 1.5 15
456 0.12 1
457 1.2 12
458 16.3 163
459 0.61 6
460 2 20
461 0.5 5
//