Predicted GC-MS Spectrum - [(2R,3S,4R,5R)-5-(4-Amino-2-oxopyrimidin-1-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] (2S,4S,5R,6R)-5-acetamido-2,4-dihydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylate GC-MS (TMS_2_5) - 70eV, Positive (HMDB0260221)
Spectrum Details
| HMDB ID: | HMDB0260221 |
|---|---|
| Compound Name: | [(2R,3S,4R,5R)-5-(4-Amino-2-oxopyrimidin-1-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] (2S,4S,5R,6R)-5-acetamido-2,4-dihydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylate |
| Derivative IUPAC Name: | Not Available |
| Derivative SMILES: | CC(=O)NC1C(O[Si](C)(C)C)CC(O)(C(=O)OC2C(COP(=O)(O)O)OC(N3C=CC(N)=NC3=O)C2O)OC1C(O)C(O)CO[Si](C)(C)C |
| Derivative InChIKey: | Not Available |
| Spectrum Type: | Predicted GC-MS Spectrum - [(2R,3S,4R,5R)-5-(4-Amino-2-oxopyrimidin-1-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] (2S,4S,5R,6R)-5-acetamido-2,4-dihydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylate GC-MS (TMS_2_5) - 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: | C20H31N4O16P |
| Molecular Weight (Monoisotopic Mass): | 614.1473 Da |
| Derivative Type: | TMS_2_5 |
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: CC(=O)NC1C(O[Si](C)(C)C)CC(O)(C(=O)OC2C(COP(=O)(O)O)OC(N3C=CC(N)=NC3=O)C2O)OC1C(O)C(O)CO[Si](C)(C)C)
Documentation
| Document Description | Download | File Size |
|---|---|---|
| List of m/z values for the spectrum (TXT) | Download file | 754 Bytes |
| mzML formatted file (MZML) | Download file | 4.66 KB |
References
Not Available