MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP004551
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004551
RECORD_TITLE: HEXATRIMETHYLSILYLINOSITOL; 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$NAME: HEXATRIMETHYLSILYLINOSITOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C24H60O6Si6
CH$EXACT_MASS: 612.30055
CH$SMILES: C[Si](C)(C)OC(C(O[Si](C)(C)C)1)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)1
CH$IUPAC: InChI=1S/C24H60O6Si6/c1-31(2,3)25-19-20(26-32(4,5)6)22(28-34(10,11)12)24(30-36(16,17)18)23(29-35(13,14)15)21(19)27-33(7,8)9/h19-24H,1-18H3
CH$LINK: INCHIKEY
FRTKXRNTVMCAKI-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID00334291
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$SPLASH: splash10-0avi-5779100000-f8869fc0a32a54edc02e
PK$NUM_PEAK: 177
PK$PEAK: m/z int. rel.int.
53 0.4 4
55 0.4 4
57 0.3 3
58 0.02 0
59 1.5 15
61 0.3 3
67 0.5 5
68 0.02 0
69 0.3 3
70 0.3 3
71 0.2 2
72 0.12 1
73 99.99 999
74 8.4 84
75 7 70
76 0.05 1
77 0.2 2
79 0.2 2
81 0.5 5
83 0.03 0
84 0.2 2
85 0.2 2
87 0.2 2
89 0.02 0
95 0.2 2
97 0.1 1
99 0.2 2
101 0.06 1
102 0.2 2
103 7.8 78
104 0.6 6
105 0.06 1
109 0.3 3
111 0.2 2
113 0.4 4
115 0.02 0
116 0.7 7
117 1.1 11
118 0.2 2
119 0.05 1
123 0.2 2
125 0.2 2
127 0.5 5
128 0.01 0
129 9.8 98
130 1.1 11
131 3.1 31
132 0.06 1
133 9.4 94
134 1.2 12
135 0.9 9
141 0.03 0
142 0.2 2
143 2.2 22
144 0.3 3
145 0.06 1
146 0.8 8
147 50.7 507
148 8 80
149 0.49 5
150 0.5 5
151 0.3 3
153 0.2 2
155 0.03 0
156 0.2 2
157 0.9 9
159 0.3 3
161 0.2 2
162 0.3 3
163 0.3 3
169 0.3 3
173 0.02 0
175 0.7 7
177 0.7 7
189 1.5 15
190 0.21 2
191 46.8 468
192 8.8 88
193 4.1 41
194 0.05 1
201 0.3 3
203 1 10
204 20 200
205 0.5 5
206 2.1 21
207 1.6 16
208 0.3 3
209 0.02 0
215 0.6 6
216 3.8 38
217 91.3 913
218 1.8 18
219 8.4 84
220 1.1 11
221 4.8 48
222 0.1 1
223 0.5 5
229 0.3 3
230 1.6 16
231 0.12 1
232 0.4 4
233 0.2 2
243 0.9 9
244 0.02 0
245 0.3 3
246 0.2 2
264 0.3 3
265 2.19 22
266 5.4 54
267 2.6 26
268 0.4 4
271 0.04 0
277 0.3 3
278 0.3 3
279 0.3 3
289 0.02 0
290 0.3 3
291 6.5 65
292 2 20
293 0.4 4
294 1 10
295 0.4 4
303 0.6 6
304 0.49 5
305 84.3 843
306 25.4 254
307 13.4 134
308 0.26 3
309 0.7 7
316 0.6 6
317 3.7 37
318 4.46 45
319 21.2 212
320 8.8 88
321 2.4 24
322 0.05 1
331 0.3 3
343 1.1 11
344 0.3 3
345 0.05 1
366 0.6 6
367 10 100
368 3.3 33
369 0.21 2
370 0.5 5
379 0.3 3
391 0.2 2
392 0.07 1
393 5.7 57
394 2 20
395 1.1 11
396 0.02 0
406 0.4 4
407 0.4 4
417 0.3 3
418 0.03 0
419 0.9 9
420 0.3 3
421 0.2 2
430 0.03 0
431 0.8 8
432 9.1 91
433 8.5 85
434 0.39 4
435 1.6 16
436 0.3 3
506 0.5 5
507 0.47 5
508 0.2 2
509 1.2 12
510 0.3 3
521 0.02 0
522 0.3 3
611 0.2 2
612 1.2 12
613 0.08 1
614 0.5 5
//