Predicted GC-MS Spectrum - GC-MS (TMS_3_15) - 70eV, Positive (MMDBc0054382)
Spectrum Details
| MiMe ID: | MMDBc0054382 |
|---|---|
| Compound Name: | CDP-3,6-dideoxy-alpha-D-mannose |
| Derivative IUPAC Name: | {[(2R,3S,5S,6R)-3,5-dihydroxy-6-methyloxan-2-yl]oxy}[({[(2R,3R,4R,5R)-3-hydroxy-5-{2-oxo-4-[(trimethylsilyl)amino]-1,2-dihydropyrimidin-1-yl}-4-[(trimethylsilyl)oxy]oxolan-2-yl]methoxy}[(trimethylsilyl)oxy]phosphoryl)oxy]phosphinic acid |
| Derivative SMILES: | C[C@H]1O[C@H](OP(=O)(O)OP(=O)(OC[C@H]2O[C@@H](N3C=CC(N[Si](C)(C)C)=NC3=O)[C@H](O[Si](C)(C)C)[C@@H]2O)O[Si](C)(C)C)[C@@H](O)C[C@@H]1O |
| Derivative InChIKey: | InChIKey=BSUNTYMVCXGPPN-QNXMEKPFSA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_3_15) - 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: | C15H25N3O14P2 |
| Molecular Weight (Monoisotopic Mass): | 533.0812 Da |
| Derivative Type: | TMS_3_15 |
Notes
Predicted by CFM-ID 2.0, energy0
Documentation
| Document Description | Download | File Size |
|---|---|---|
| Generated list of m/z values for the spectrum (TSV) | Download file | 773 Bytes |
| mzML formatted file (MZML) | Download file | 4.64 KB |
References