Spectrum Details
MiMe ID:MMDBc0004821
Compound Name:Sterebin Q4
Derivative IUPAC Name:(1R,2S,3S,4R,4aS,8aS)-3,4a,8,8-tetramethyl-4-[(1E,3S,4S)-3-methyl-3,4,5-tris[(trimethylsilyl)oxy]pent-1-en-1-yl]-2-[(trimethylsilyl)oxy]-decahydronaphthalene-1,3-diol
Derivative SMILES:CC1(C)CCC[C@@]2(C)[C@H]1[C@@H](O)[C@H](O[Si](C)(C)C)[C@@](C)(O)[C@@H]2/C=C/[C@](C)(O[Si](C)(C)C)[C@H](CO[Si](C)(C)C)O[Si](C)(C)C
Derivative InChIKey:InChIKey=ZLKSIQNQOPRUSE-OIYZOVPYSA-N
Spectrum Type:Predicted GC-MS Spectrum - GC-MS (TMS_4_9) - 70eV, Positive
Splash Key:Not Available
Notes:This is a predicted spectrum, and it should only be used as a guide. Further evidence is required to confirm identification.
Spectrum View
Experimental Conditions
Ionization Mode:Positive
Ionization Energy:70 eV
Chromatography Type:Gas Chromatography Column (GC)
Instrument Type:Single quadrupole, spectrum predicted by CFM-ID(EI)
Mass Resolution:0.0001 Da
Molecular Formula:C20H36O6
Molecular Weight (Monoisotopic Mass):372.2512 Da
Derivative Type:TMS_4_9
Notes
Predicted by CFM-ID 2.0, energy0
Documentation
Document DescriptionDownloadFile Size
Generated list of m/z values for the spectrum (TSV)Download file768 Bytes
mzML formatted file (MZML)Download file4.63 KB
References