Predicted GC-MS Spectrum - GC-MS (TBDMS_2_1) - 70eV, Positive (MMDBc0000555)
Spectrum Details
| MiMe ID: | MMDBc0000555 |
|---|---|
| Compound Name: | Ribothymidine |
| Derivative IUPAC Name: | 1-[(2R,3R,4S,5R)-4-[(tert-butyldimethylsilyl)oxy]-5-{[(tert-butyldimethylsilyl)oxy]methyl}-3-hydroxyoxolan-2-yl]-5-methyl-1,2,3,4-tetrahydropyrimidine-2,4-dione |
| Derivative SMILES: | CC1=CN([C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)C(=O)[NH]C1=O |
| Derivative InChIKey: | InChIKey=QFWQYAICRXTMCA-YWTNHNAXSA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TBDMS_2_1) - 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: | C10H14N2O6 |
| Molecular Weight (Monoisotopic Mass): | 258.0852 Da |
| Derivative Type: | TBDMS_2_1 |
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: CC1=CN([C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)C(=O)[NH]C1=O)
Documentation
| Document Description | Download | File Size |
|---|---|---|
| List of m/z values for the spectrum (TXT) | Download file | 746 Bytes |
| mzML formatted file (MZML) | Download file | 4.67 KB |
References
Not Available