Predicted GC-MS Spectrum - GC-MS (TMS_2_2) - 70eV, Positive (MMDBc0030121)
Spectrum Details
| MiMe ID: | MMDBc0030121 |
|---|---|
| Compound Name: | 2-Thiouridine |
| Derivative IUPAC Name: | 4-hydroxy-1-[(2R,3R,4R,5R)-4-hydroxy-3-[(trimethylsilyl)oxy]-5-{[(trimethylsilyl)oxy]methyl}oxolan-2-yl]-1,2-dihydropyrimidine-2-thione |
| Derivative SMILES: | C[Si](C)(C)OC[C@H]1O[C@@H](N2C=CC(O)=NC2=S)[C@H](O[Si](C)(C)C)[C@@H]1O |
| Derivative InChIKey: | InChIKey=KMPLCUHDYKNOMB-FMKGYKFTSA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_2_2) - 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: | C9H12N2O5S |
| Molecular Weight (Monoisotopic Mass): | 260.0467 Da |
| Derivative Type: | TMS_2_2 |
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