Predicted GC-MS Spectrum - GC-MS (TMS_4_37) - 70eV, Positive (MMDBc0031160)
Spectrum Details
| MiMe ID: | MMDBc0031160 |
|---|---|
| Compound Name: | 8-oxo-dGTP |
| Derivative IUPAC Name: | ({[({[(2R,3S,5R)-5-[6,8-dioxo-1-(trimethylsilyl)-2-[(trimethylsilyl)amino]-6,7,8,9-tetrahydro-1H-purin-9-yl]-3-hydroxyoxolan-2-yl]methoxy}[(trimethylsilyl)oxy]phosphoryl)oxy][(trimethylsilyl)oxy]phosphoryl}oxy)phosphonic acid |
| Derivative SMILES: | C[Si](C)(C)NC1=NC2=C(NC(=O)N2[C@H]2C[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)O2)C(=O)N1[Si](C)(C)C |
| Derivative InChIKey: | InChIKey=WJPFJGCOZIEBIO-WXDQMQMPSA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_4_37) - 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: | C10H16N5O14P3 |
| Molecular Weight (Monoisotopic Mass): | 522.9907 Da |
| Derivative Type: | TMS_4_37 |
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 | 778 Bytes |
| mzML formatted file (MZML) | Download file | 4.64 KB |
References