Predicted GC-MS Spectrum - GC-MS (TMS_4_9) - 70eV, Positive (MMDBc0031161)
Spectrum Details
| MiMe ID: | MMDBc0031161 |
|---|---|
| Compound Name: | 8-oxo-dGMP |
| Derivative IUPAC Name: | {[(2R,3S,5R)-5-{2-[bis(trimethylsilyl)amino]-6,8-dioxo-1-(trimethylsilyl)-6,7,8,9-tetrahydro-1H-purin-9-yl}-3-[(trimethylsilyl)oxy]oxolan-2-yl]methoxy}phosphonic acid |
| Derivative SMILES: | C[Si](C)(C)O[C@H]1C[C@H](N2C(=O)NC3=C2N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)C3=O)O[C@@H]1COP(=O)(O)O |
| Derivative InChIKey: | InChIKey=AVQQSSJPGIDDAZ-GVDBMIGSSA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_4_9) - 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: | C10H14N5O8P |
| Molecular Weight (Monoisotopic Mass): | 363.058 Da |
| Derivative Type: | TMS_4_9 |
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 | 770 Bytes |
| mzML formatted file (MZML) | Download file | 4.63 KB |
References