Spectrum Details
MiMe ID:MMDBc0047853
Compound Name:keto-D-fructose
Derivative IUPAC Name:7-(1,2-dihydroxyethyl)-6-hydroxy-2,2,9,9-tetramethyl-3,8-dioxa-2,9-disiladecan-5-one
Derivative SMILES:C[Si](C)(C)OCC(=O)C(O)C(O[Si](C)(C)C)C(O)CO
Derivative InChIKey:InChIKey=BDHBXFWRVUJYPY-UHFFFAOYNA-N
Spectrum Type:Predicted GC-MS Spectrum - GC-MS (TMS_2_13) - 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_13
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: C[Si](C)(C)OCC(=O)C(O)C(O[Si](C)(C)C)C(O)CO)
Documentation
Document DescriptionDownloadFile Size
List of m/z values for the spectrum (TXT)Download file752 Bytes
mzML formatted file (MZML)Download file4.67 KB
References
Not Available