Spectrum Details
MiMe ID:MMDBc0000338
Compound Name:Xanthosine
Derivative IUPAC Name:9-[(2R,3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-[(trimethylsilyl)oxy]oxolan-2-yl]-9H-purine-2,6-diol
Derivative SMILES:C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1N1C=NC2=C(O)N=C(O)N=C21
Derivative InChIKey:InChIKey=JYHABBHPJQRAMD-WOUKDFQISA-N
Spectrum Type:Predicted GC-MS Spectrum - GC-MS (TMS_1_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:C10H12N4O6
Molecular Weight (Monoisotopic Mass):284.0757 Da
Derivative Type:TMS_1_2
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1N1C=NC2=C(O)N=C(O)N=C21)
Documentation
Document DescriptionDownloadFile Size
List of m/z values for the spectrum (TXT)Download file749 Bytes
mzML formatted file (MZML)Download file4.67 KB
References
Not Available