Spectrum Details
CDB ID:CDB004842
Compound Name:Xanthosine
Derivative IUPAC Name:(2R,3R,4S,5R)-2-{6-hydroxy-2-[(trimethylsilyl)oxy]-9H-purin-9-yl}-5-(hydroxymethyl)oxolane-3,4-diol
Derivative SMILES:C[Si](C)(C)OC1=NC(O)=C2N=CN([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)C2=N1
Derivative InChIKey:InChIKey=LLMDWMBNMISLID-WOUKDFQISA-N
Spectrum Type:Predicted GC-MS Spectrum - GC-MS (TMS_1_4) - 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:C10H12N4O6
Molecular Weight (Monoisotopic Mass):284.0757 Da
Derivative Type:TMS_1_4
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: C[Si](C)(C)OC1=NC(O)=C2N=CN([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)C2=N1)
Documentation
Document DescriptionDownload
List of m/z values for the spectrumDownload file
mzML formatted fileDownload file
References
Not Available