Spectrum Details
MiMe ID:MMDBc0053703
Compound Name:scyllo-Inosose
Derivative IUPAC Name:(1R,2R,3S,6S)-5,6-bis[(trimethylsilyl)oxy]cyclohex-4-ene-1,2,3,4-tetrol
Derivative SMILES:C[Si](C)(C)OC1=C(O)[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C
Derivative InChIKey:InChIKey=MKOHBPRLAIJLPU-CKEKPRIKSA-N
Spectrum Type:Predicted GC-MS Spectrum - GC-MS (TMS_2_10) - 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:C6H10O6
Molecular Weight (Monoisotopic Mass):178.0477 Da
Derivative Type:TMS_2_10
Notes
Predicted by CFM-ID 2.0, energy0
Documentation
Document DescriptionDownloadFile Size
Generated list of m/z values for the spectrum (TSV)Download file764 Bytes
mzML formatted file (MZML)Download file4.64 KB
References