MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP002701
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002701
RECORD_TITLE: LANOSTEROL-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$NAME: LANOSTEROL-TRIMETHYLSILYL-ETHER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C33H58OSi
CH$EXACT_MASS: 498.42569
CH$SMILES: [H]C(C41C)(CCC(=C43)C(C2(C)CC3)(CCC2([H])C([H])(C)CCC=C(C)C)C)C(C(O[Si](C)(C)C)CC1)(C)C
CH$IUPAC: InChI=1S/C33H58OSi/c1-23(2)13-12-14-24(3)25-17-21-33(8)27-15-16-28-30(4,5)29(34-35(9,10)11)19-20-31(28,6)26(27)18-22-32(25,33)7/h13,24-25,28-29H,12,14-22H2,1-11H3/t24-,25+,28-,29-,31+,32+,33-/m0/s1
CH$LINK: CAS
55493-84-0
CH$LINK: INCHIKEY
VUPPLGLOGXZZKA-ZXEXGRMMSA-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$SPLASH: splash10-0006-3946200000-1293091e58db84429012
PK$NUM_PEAK: 190
PK$PEAK: m/z int. rel.int.
55 2.8 28
67 2.4 24
69 17.2 172
70 0.13 1
73 11.2 112
74 1 10
75 8.5 85
76 0.1 1
77 1 10
79 1.8 18
81 7.7 77
82 0.12 1
83 4.6 46
91 3.4 34
93 6.2 62
94 0.13 1
95 13.3 133
96 1.6 16
97 2.6 26
105 0.59 6
106 1 10
107 8.6 86
108 2.1 21
109 2.5 25
110 2.6 26
111 3.8 38
117 4.6 46
118 0.13 1
119 11 110
120 2.2 22
121 11.7 117
122 0.28 3
123 11.5 115
124 1.4 14
128 1.1 11
129 1.07 11
130 2.2 22
131 6.7 67
132 1.9 19
133 0.79 8
134 2.7 27
135 14.9 149
136 3.3 33
137 0.67 7
141 1.4 14
142 1.1 11
143 4.7 47
144 0.27 3
145 8.7 87
146 2.5 25
147 9.8 98
148 0.24 2
149 8.9 89
151 2.5 25
155 1.7 17
156 0.1 1
157 7.4 74
158 3.2 32
159 8.4 84
160 0.39 4
161 10.8 108
162 2.5 25
163 7.4 74
164 0.15 2
165 1.5 15
169 2.5 25
170 1.3 13
171 0.62 6
172 2.7 27
173 9.2 92
174 3.2 32
175 0.94 9
176 1.9 19
177 3.4 34
178 1 10
183 0.35 4
184 1.3 13
185 5.4 54
186 2.2 22
187 1.3 13
188 3.4 34
189 12.9 129
190 3.7 37
191 0.45 5
192 1.2 12
197 2.9 29
198 2.1 21
199 0.42 4
200 1.9 19
201 8.1 81
202 2.3 23
203 0.71 7
204 2.2 22
205 3.1 31
206 1 10
209 0.1 1
210 1.1 11
211 3.4 34
212 1.7 17
213 0.6 6
214 5.2 52
215 12.1 121
216 2.4 24
217 0.28 3
223 1.1 11
225 4.2 42
226 1.5 15
227 1.33 13
228 3.7 37
229 9.7 97
230 2.3 23
231 0.28 3
237 1 10
239 2.6 26
240 2.7 27
241 1.42 14
242 3.2 32
243 5.5 55
244 1.9 19
245 0.18 2
253 3.7 37
254 1 10
255 8.6 86
256 0.28 3
257 4 40
258 1.1 11
259 1.4 14
267 0.14 1
269 2.7 27
270 2.1 21
271 3.2 32
272 0.19 2
273 1.8 18
281 2.3 23
282 1.5 15
283 0.41 4
284 1.4 14
285 1.9 19
295 2.3 23
296 0.11 1
297 2.7 27
298 1 10
299 1.5 15
309 0.28 3
310 1.2 12
311 5.4 54
312 1.9 19
313 0.11 1
315 3.1 31
319 1.1 11
323 2.6 26
324 0.15 2
325 1.6 16
331 1.2 12
337 2.6 26
338 0.1 1
339 1.8 18
345 1.4 14
350 1.6 16
351 0.19 2
365 1.2 12
367 1.4 14
369 1.2 12
377 0.13 1
378 1.6 16
383 1.5 15
391 4.6 46
393 99.99 999
394 31.3 313
395 5.6 56
396 1.3 13
405 0.1 1
406 1.7 17
407 1.9 19
408 1.7 17
413 0.21 2
451 1 10
467 1.1 11
468 1.5 15
469 0.18 2
470 1.7 17
471 1 10
482 0.14 1
483 21.3 213
484 9.5 95
485 2.8 28
486 0.28 3
497 2.1 21
498 14.2 142
499 6.1 61
//
system version 2.2.6-SNAPSHOT