Predicted GC-MS Spectrum - GC-MS (TBDMS_2_1) - 70eV, Positive (CDB004800)
Spectrum Details
| CDB ID: | CDB004800 |
|---|---|
| Compound Name: | Cytidine monophosphate |
| Derivative IUPAC Name: | {[(2R,3R,4R,5R)-5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-3,4-bis[(tert-butyldimethylsilyl)oxy]oxolan-2-yl]methoxy}phosphonic acid |
| Derivative SMILES: | CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)O)O[C@@H](N2C=CC(N)=NC2=O)[C@@H]1O[Si](C)(C)C(C)(C)C |
| Derivative InChIKey: | InChIKey=KQTRGFUIQGGNJS-VDHUWJSZSA-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: | C9H14N3O8P |
| Molecular Weight (Monoisotopic Mass): | 323.0519 Da |
| Derivative Type: | TBDMS_2_1 |
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)O)O[C@@H](N2C=CC(N)=NC2=O)[C@@H]1O[Si](C)(C)C(C)(C)C)
Documentation
| Document Description | Download | File Size |
|---|---|---|
| List of m/z values for the spectrum (TXT) | Download file | 749 Bytes |
| mzML formatted file (MZML) | Download file | 4.68 KB |
References
Not Available