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
//
