Spectrum Details
MiMe ID:MMDBc0000555
Compound Name:Ribothymidine
Derivative IUPAC Name:3-(tert-butyldimethylsilyl)-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-1,2,3,4-tetrahydropyrimidine-2,4-dione
Derivative SMILES:CC1=CN([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C(=O)N([Si](C)(C)C(C)(C)C)C1=O
Derivative InChIKey:InChIKey=UOQWTQSYBKHLGZ-HKUMRIAESA-N
Spectrum Type:Predicted GC-MS Spectrum - GC-MS (TBDMS_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:C10H14N2O6
Molecular Weight (Monoisotopic Mass):258.0852 Da
Derivative Type:TBDMS_1_4
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: CC1=CN([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C(=O)N([Si](C)(C)C(C)(C)C)C1=O)
Documentation
Document DescriptionDownloadFile Size
List of m/z values for the spectrum (TXT)Download file745 Bytes
mzML formatted file (MZML)Download file4.67 KB
References
Not Available