Predicted GC-MS Spectrum - GC-MS (TMS_1_5) - 70eV, Positive (MMDBc0049952)
Spectrum Details
| MiMe ID: | MMDBc0049952 |
|---|---|
| Compound Name: | P1,P4-Bis(5'-uridyl) tetraphosphate |
| Derivative IUPAC Name: | ({[({[(2R,3S,4R,5R)-5-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)[({[(2R,3S,4R,5R)-5-[2,4-dioxo-3-(trimethylsilyl)-1,2,3,4-tetrahydropyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]phosphinic acid |
| Derivative SMILES: | C[Si](C)(C)N1C(=O)C=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](N4C=CC(=O)[NH]C4=O)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C1=O |
| Derivative InChIKey: | InChIKey=DQTUHTRSPHVEBK-XYNMFUKQSA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_1_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: | C18H26N4O23P4 |
| Molecular Weight (Monoisotopic Mass): | 789.9938 Da |
| Derivative Type: | TMS_1_5 |
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: C[Si](C)(C)N1C(=O)C=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](N4C=CC(=O)[NH]C4=O)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C1=O)
Documentation
| Document Description | Download | File Size |
|---|---|---|
| List of m/z values for the spectrum (TXT) | Download file | 762 Bytes |
| mzML formatted file (MZML) | Download file | 4.67 KB |
References
Not Available