ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003790
RECORD_TITLE: 3-TRIMETHYLSILYLOXYCHOLEST-5-ENE; CI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA

CH$NAME: 3-TRIMETHYLSILYLOXYCHOLEST-5-ENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₃₀H₅₄OSi
CH$EXACT_MASS: 458.39439
CH$SMILES: C(CCC(C)C)C(C([H])(C12C)CCC(C([H])(C4)C([H])(C(C)(C3=C4)CCC(O[Si](C)(C)C)C3)CC2)([H])1)([H])C
CH$IUPAC: InChI=1S/C30H54OSi/c1-21(2)10-9-11-22(3)26-14-15-27-25-13-12-23-20-24(31-32(6,7)8)16-18-29(23,4)28(25)17-19-30(26,27)5/h12,21-22,24-28H,9-11,13-20H2,1-8H3/t22-,24?,25+,26-,27+,28+,29+,30-/m1/s1
CH$LINK: INCHIKEY CBVJJGRSRFXUPK-HBOBSPHKSA-N

AC$INSTRUMENT: HITACHI M-60
AC$INSTRUMENT_TYPE: CI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 100 eV
AC$MASS_SPECTROMETRY: REAGENT_GAS ISOBUTANE

PK$SPLASH: splash10-014i-1009000000-2732ac37dbb91be0a1ac
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
  67 1.16 12
  69 0.16 2
  71 0.83 8
  73 2.95 30
  79 0.62 6
  81 3.82 38
  83 0.98 10
  85 0.23 2
  91 4.25 43
  129 2.96 30
  325 0.48 5
  329 4.08 41
  353 0.23 2
  367 9.13 91
  369 99.99 999
  370 17.07 171
  371 2.79 28
  411 0.39 4
  443 1.76 18
  458 10.41 104
  459 2.01 20
//