Spectrum Details
CDB ID:CDB004818
Compound Name:Inosine
Derivative IUPAC Name:[(2R,3R,4R,5R)-3,4-bis[(trimethylsilyl)oxy]-5-{6-[(trimethylsilyl)oxy]-9H-purin-9-yl}oxolan-2-yl]methanol
Derivative SMILES:C[Si](C)(C)OC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C
Derivative InChIKey:InChIKey=GKGMOSJQDIQRHR-NVQRDWNXSA-N
Spectrum Type:Predicted GC-MS Spectrum - GC-MS (TMS_3_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:C10H12N4O5
Molecular Weight (Monoisotopic Mass):268.0808 Da
Derivative Type:TMS_3_4
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: C[Si](C)(C)OC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C)
Documentation
Document DescriptionDownloadFile Size
List of m/z values for the spectrum (TXT)Download file744 Bytes
mzML formatted file (MZML)Download file4.68 KB
References
Not Available