Predicted GC-MS Spectrum - GC-MS (TMS_5_4) - 70eV, Positive (MMDBc0030388)
Spectrum Details
| MiMe ID: | MMDBc0030388 |
|---|---|
| Compound Name: | Deoxycytidine 5'-triphosphate |
| Derivative IUPAC Name: | ({bis[(trimethylsilyl)oxy]phosphoryl}oxy)({[(R)-{[(2S,3R,5R)-5-{2-oxo-4-[(trimethylsilyl)amino]-1,2-dihydropyrimidin-1-yl}-3-[(trimethylsilyl)oxy]oxolan-2-yl]methoxy}[(trimethylsilyl)oxy]phosphoryl]oxy})phosphinic acid |
| Derivative SMILES: | C[Si](C)(C)NC1=NC(=O)N([C@H]2C[C@@H](O[Si](C)(C)C)[C@H](CO[P@](=O)(O[Si](C)(C)C)O[P@@](=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O2)C=C1 |
| Derivative InChIKey: | InChIKey=RMVXIJYLQXRICP-RZJVLINFSA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_5_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: | C9H16N3O13P3 |
| Molecular Weight (Monoisotopic Mass): | 466.9896 Da |
| Derivative Type: | TMS_5_4 |
Notes
Predicted by CFM-ID 2.0, energy0
Documentation
| Document Description | Download | File Size |
|---|---|---|
| Generated list of m/z values for the spectrum (TSV) | Download file | 776 Bytes |
| mzML formatted file (MZML) | Download file | 4.63 KB |
References