Predicted GC-MS Spectrum - GC-MS (TBDMS_1_2) - 70eV, Positive (CDB005147)
Spectrum Details
| CDB ID: | CDB005147 |
|---|---|
| Compound Name: | Uridine 5'-diphosphate |
| Derivative IUPAC Name: | [({[(2R,3R,4R,5R)-4-[(tert-butyldimethylsilyl)oxy]-5-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]phosphonic acid |
| Derivative SMILES: | CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)O)O[C@H]1N1C=CC(=O)[NH]C1=O |
| Derivative InChIKey: | InChIKey=YFRGJFDWQFIXDV-OJAKKHQRSA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TBDMS_1_2) - 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: | C9H14N2O12P2 |
| Molecular Weight (Monoisotopic Mass): | 404.0022 Da |
| Derivative Type: | TBDMS_1_2 |
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)O)O[C@H]1N1C=CC(=O)[NH]C1=O)
Documentation
| Document Description | Download | File Size |
|---|---|---|
| List of m/z values for the spectrum (TXT) | Download file | 742 Bytes |
| mzML formatted file (MZML) | Download file | 4.68 KB |
References
Not Available