MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP006233
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006233
RECORD_TITLE: BETA-SITOSTERYL TRIMETHYLSILYL ETHER; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HASHIMOTO K, KYOTO COLLEGE OF PHARMACY
LICENSE: CC BY-NC-SA
CH$NAME: BETA-SITOSTERYL TRIMETHYLSILYL ETHER
CH$NAME: STIGMAST-5-EN-3-YL TRIMETHYLSILYL ETHER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C32H58OSi
CH$EXACT_MASS: 486.42569
CH$SMILES: CC(CCC([H])(C(C)C)CC)C(C1)C(C)(C4)C(C(C([H])3C4)CC=C(C(C)32)CC(O[Si](C)(C)C)CC2)(C1)[H]
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-IHCQZMFNSA-N
AC$INSTRUMENT: HITACHI M-80
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-056s-3913000000-eb2e83b5dfa233e4572c
PK$NUM_PEAK: 134
PK$PEAK: m/z int. rel.int.
43 6.44 64
55 1.83 18
57 15.36 154
58 1.03 10
67 2.27 23
69 5.68 57
71 20.61 206
73 5.67 57
75 7.79 78
79 1.4 14
81 15.85 159
82 1.17 12
83 6.47 65
85 17.84 178
86 1.63 16
91 1.79 18
93 4.47 45
94 2.33 23
95 21.12 211
96 1.39 14
97 7.49 75
99 3.54 35
105 3.68 37
106 3.34 33
107 19.64 196
108 3.56 36
109 14.39 144
110 1.56 16
111 7.97 80
113 1.21 12
117 1.49 15
118 1.3 13
119 8.7 87
120 8.23 82
121 22.68 227
122 3.75 38
123 5.98 60
125 3.88 39
129 99.99 999
130 12.69 127
131 10.72 107
132 2.85 29
133 9.81 98
134 4.19 42
135 9.63 96
136 1.78 18
137 3.21 32
139 2.08 21
143 8.55 86
144 2.42 24
145 17.29 173
146 6.42 64
147 10.91 109
148 4.35 44
149 7.73 77
151 1.93 19
155 4.64 46
156 1.12 11
157 1.88 19
158 1.86 19
159 9.28 93
160 10.85 109
161 13.49 135
162 3.21 32
163 9.74 97
165 1.11 11
168 1.48 15
169 1.76 18
171 2.17 22
172 1.27 13
173 3.94 39
174 2.07 21
175 4.05 41
177 3.72 37
181 1 10
185 2.1 21
186 1 10
187 1.6 16
189 3.69 37
191 1.81 18
196 1.35 14
197 1.6 16
199 3.09 31
200 1.2 12
201 2.85 29
203 4.81 48
204 1.38 14
205 1.58 16
213 6.19 62
214 2.15 22
215 3.46 35
217 5.35 54
219 1.06 11
221 1.29 13
227 1.47 15
228 2.53 25
229 2.96 30
231 1.35 14
234 1.35 14
235 1.42 14
241 1.3 13
245 1.82 18
247 1.89 19
255 10.42 104
256 2.13 21
259 2.14 21
261 1.95 20
273 1.58 16
275 8.35 84
277 2.57 26
283 1.19 12
287 1.38 14
288 1.43 14
302 1.72 17
303 4.79 48
330 2.37 24
355 2.68 27
356 3.63 36
357 11.48 115
358 53.44 534
359 16.43 164
360 2.28 23
368 1.12 11
369 1.87 19
382 16.38 164
383 5.45 55
396 1.06 11
397 43.68 437
398 13.1 131
472 4.57 46
473 1.78 18
487 16.55 166
488 7.34 73
489 2.32 23
//
system version 2.2.8-SNAPSHOT