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_2) - 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[Si](C)(C)C)OC1C(O)C(O)CO |
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_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: | C20H31N4O16P |
Molecular Weight (Monoisotopic Mass): | 614.1473 Da |
Derivative Type: | TMS_2_2 |
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[Si](C)(C)C)OC1C(O)C(O)CO)
Documentation
Document Description | Download | File Size |
---|---|---|
List of m/z values for the spectrum (TXT) | Download file | 751 Bytes |
mzML formatted file (MZML) | Download file | 4.66 KB |
References
Not Available