MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP007292
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007292
RECORD_TITLE: (2S,3S)-3-BENZYLOXY-1-(TERT-BUTYLDIMETHYLSILYLOXY)-4-(TERT-BUTYLDIPHENYLSILYLOXY)-2-BUTANOL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: ITO S, DEPT. OF CHEM., TOHOKU UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: (2S,3S)-3-BENZYLOXY-1-(TERT-BUTYLDIMETHYLSILYLOXY)-4-(TERT-BUTYLDIPHENYLSILYLOXY)-2-BUTANOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C33H48O4Si2
CH$EXACT_MASS: 564.30911
CH$SMILES: [Si](OCC([H])(O)C(OCc(c3)cccc3)(CO[Si](C(C)(C)C)(c(c2)cccc2)c(c1)cccc1)[H])(C(C)(C)C)(C)C
CH$IUPAC: InChI=1S/C33H48O4Si2/c1-32(2,3)38(7,8)36-25-30(34)31(35-24-27-18-12-9-13-19-27)26-37-39(33(4,5)6,28-20-14-10-15-21-28)29-22-16-11-17-23-29/h9-23,30-31,34H,24-26H2,1-8H3/t30-,31-/m0/s1
CH$LINK: INCHIKEY
AFPKGUQWJNXKFR-CONSDPRKSA-N
AC$INSTRUMENT: HITACHI M-52
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 14 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-006x-6792000000-9b639a3dab0706b2b958
PK$NUM_PEAK: 41
PK$PEAK: m/z int. rel.int.
89 20.8 208
91 99.99 999
92 3.8 38
115 0.44 4
117 19.2 192
129 23.8 238
131 15.4 154
135 1.08 11
143 3.7 37
145 4.5 45
147 3.4 34
151 3.69 37
167 11.5 115
175 16.2 162
179 4.4 44
181 9.54 95
182 7.7 77
193 5.6 56
199 7.7 77
205 0.24 2
207 43.8 438
217 9.3 93
219 4.9 49
221 0.21 2
231 23.1 231
243 4.2 42
253 10 100
259 0.31 3
261 13.1 131
271 30.8 308
272 7 70
273 0.61 6
277 3.9 39
279 3.8 38
293 14.6 146
297 0.58 6
323 20 200
337 26.2 262
338 5.6 56
339 1.69 17
508 3.4 34
//
system version 2.2.6-SNAPSHOT