Spectrum Details
CDB ID:CDB004867
Compound Name:Nicotinamide riboside
Derivative IUPAC Name:1-[(2R,3R,4R,5R)-3-[(tert-butyldimethylsilyl)oxy]-5-{[(tert-butyldimethylsilyl)oxy]methyl}-4-hydroxyoxolan-2-yl]-3-carbamoyl-1λ⁵-pyridin-1-ylium
Derivative SMILES:CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H]([N+]2=CC=CC(C(N)=O)=C2)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O
Derivative InChIKey:InChIKey=OVIODBLSKILBPJ-ANTGDGSKSA-O
Spectrum Type:Predicted GC-MS Spectrum - GC-MS (TBDMS_2_1) - 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:C11H15N2O5
Molecular Weight (Monoisotopic Mass):255.0981 Da
Derivative Type:TBDMS_2_1
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H]([N+]2=CC=CC(C(N)=O)=C2)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O)
Documentation
Document DescriptionDownloadFile Size
List of m/z values for the spectrum (TXT)Download file743 Bytes
mzML formatted file (MZML)Download file4.68 KB
References
Not Available