Predicted GC-MS Spectrum - GC-MS (TBDMS_1_4) - 70eV, Positive (CDB004867)
Spectrum Details
| CDB ID: | CDB004867 |
|---|---|
| Compound Name: | Nicotinamide riboside |
| Derivative IUPAC Name: | 3-[(tert-butyldimethylsilyl)carbamoyl]-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1λ⁵-pyridin-1-ylium |
| Derivative SMILES: | CC(C)(C)[Si](C)(C)NC(=O)C1=CC=C[N+]([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)=C1 |
| Derivative InChIKey: | InChIKey=XNXGCHUCFATKAQ-IXYNUQLISA-O |
| 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: | C11H15N2O5 |
| Molecular Weight (Monoisotopic Mass): | 255.0981 Da |
| Derivative Type: | TBDMS_1_4 |
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: CC(C)(C)[Si](C)(C)NC(=O)C1=CC=C[N+]([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)=C1)
Documentation
| Document Description | Download | File Size |
|---|---|---|
| List of m/z values for the spectrum (TXT) | Download file | 745 Bytes |
| mzML formatted file (MZML) | Download file | 4.68 KB |
References
Not Available