Spectrum Details
CDB ID:CDB004867
Compound Name:Nicotinamide riboside
Derivative IUPAC Name:1-[(2R,3R,4R,5R)-5-(hydroxymethyl)-3,4-bis[(trimethylsilyl)oxy]oxolan-2-yl]-3-[(trimethylsilyl)carbamoyl]-1λ⁵-pyridin-1-ylium
Derivative SMILES:C[Si](C)(C)NC(=O)C1=CC=C[N+]([C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)=C1
Derivative InChIKey:InChIKey=VFFXBIDOMLZHJQ-SOAMZJECSA-O
Spectrum Type:Predicted GC-MS Spectrum - GC-MS (TMS_3_5) - 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:TMS_3_5
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: C[Si](C)(C)NC(=O)C1=CC=C[N+]([C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)=C1)
Documentation
Document DescriptionDownloadFile Size
List of m/z values for the spectrum (TXT)Download file745 Bytes
mzML formatted file (MZML)Download file4.68 KB
References
Not Available