Spectrum Details
CDB ID:CDB000138
Compound Name:D-Mannose
Derivative IUPAC Name:(2S,3S,4S,5S,6R)-3-[(trimethylsilyl)oxy]-6-{[(trimethylsilyl)oxy]methyl}oxane-2,4,5-triol
Derivative SMILES:C[Si](C)(C)OC[C@H]1O[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O
Derivative InChIKey:InChIKey=IWAXSUQSJRGYAG-GCHJQGSQSA-N
Spectrum Type:Predicted GC-MS Spectrum - GC-MS (TMS_2_2) - 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_2
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: C[Si](C)(C)OC[C@H]1O[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O)
Documentation
Document DescriptionDownloadFile Size
List of m/z values for the spectrum (TXT)Download file740 Bytes
mzML formatted file (MZML)Download file4.68 KB
References
Not Available