Predicted GC-MS Spectrum - GC-MS (TMS_3_4) - 70eV, Positive (CDB004864)
Spectrum Details
| CDB ID: | CDB004864 |
|---|---|
| Compound Name: | Pseudouridine |
| Derivative IUPAC Name: | 5-[(2S,3S,4S,5R)-3-hydroxy-4-[(trimethylsilyl)oxy]-5-{[(trimethylsilyl)oxy]methyl}oxolan-2-yl]-1-(trimethylsilyl)-1,2,3,4-tetrahydropyrimidine-2,4-dione |
| Derivative SMILES: | C[Si](C)(C)OC[C@H]1O[C@@H](C2=CN([Si](C)(C)C)C(=O)[NH]C2=O)[C@H](O)[C@@H]1O[Si](C)(C)C |
| Derivative InChIKey: | InChIKey=CYDFAGIGAQGCJD-FXUDXRNXSA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_3_4) - 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: | C9H12N2O6 |
| Molecular Weight (Monoisotopic Mass): | 244.0695 Da |
| Derivative Type: | TMS_3_4 |
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: C[Si](C)(C)OC[C@H]1O[C@@H](C2=CN([Si](C)(C)C)C(=O)[NH]C2=O)[C@H](O)[C@@H]1O[Si](C)(C)C)
Documentation
| Document Description | Download | File Size |
|---|---|---|
| List of m/z values for the spectrum (TXT) | Download file | 743 Bytes |
| mzML formatted file (MZML) | Download file | 4.68 KB |
References
Not Available