Predicted GC-MS Spectrum - GC-MS (TMS_3_28) - 70eV, Positive (MMDBc0054309)
Spectrum Details
| MiMe ID: | MMDBc0054309 |
|---|---|
| Compound Name: | 8-oxo-GTP |
| Derivative IUPAC Name: | [({[(2R,3S,4R,5R)-3,4-dihydroxy-5-[6-hydroxy-2-imino-3-(trimethylsilyl)-8-[(trimethylsilyl)oxy]-3,9-dihydro-2H-purin-9-yl]oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]({hydroxy[(trimethylsilyl)oxy]phosphoryl}oxy)phosphinic acid |
| Derivative SMILES: | C[Si](C)(C)OC1=NC2=C(N1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]1O)N([Si](C)(C)C)C(=N)N=C2O |
| Derivative InChIKey: | InChIKey=HPPYRLPKAUFKNK-LSCFUAHRSA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_3_28) - 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: | C10H16N5O15P3 |
| Molecular Weight (Monoisotopic Mass): | 538.9856 Da |
| Derivative Type: | TMS_3_28 |
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 | 773 Bytes |
| mzML formatted file (MZML) | Download file | 4.64 KB |
References