Spectrum Details
MiMe ID:MMDBc0000085
Compound Name:Sorbitol
Derivative IUPAC Name:(2R,3R,4R,5S)-4-[(trimethylsilyl)oxy]hexane-1,2,3,5,6-pentol
Derivative SMILES:C[Si](C)(C)O[C@H]([C@@H](O)CO)[C@H](O)[C@H](O)CO
Derivative InChIKey:InChIKey=XCBNJMHRQQBUPI-BZNPZCIMSA-N
Spectrum Type:Predicted GC-MS Spectrum - GC-MS (TMS_1_3) - 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:C6H14O6
Molecular Weight (Monoisotopic Mass):182.079 Da
Derivative Type:TMS_1_3
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: C[Si](C)(C)O[C@H]([C@@H](O)CO)[C@H](O)[C@H](O)CO)
Documentation
Document DescriptionDownloadFile Size
List of m/z values for the spectrum (TXT)Download file747 Bytes
mzML formatted file (MZML)Download file4.67 KB
References
Not Available