Spectrum Details
MiMe ID:MMDBc0047853
Compound Name:keto-D-fructose
Derivative IUPAC Name:1,5,6-trihydroxy-3,4-bis[(trimethylsilyl)oxy]hexan-2-one
Derivative SMILES:C[Si](C)(C)OC(C(=O)CO)C(O[Si](C)(C)C)C(O)CO
Derivative InChIKey:InChIKey=JJBQRPSCUVKVTB-UHFFFAOYNA-N
Spectrum Type:Predicted GC-MS Spectrum - GC-MS (TMS_2_12) - 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:C6H12O6
Molecular Weight (Monoisotopic Mass):180.0634 Da
Derivative Type:TMS_2_12
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: C[Si](C)(C)OC(C(=O)CO)C(O[Si](C)(C)C)C(O)CO)
Documentation
Document DescriptionDownloadFile Size
List of m/z values for the spectrum (TXT)Download file750 Bytes
mzML formatted file (MZML)Download file4.67 KB
References
Not Available