Predicted GC-MS Spectrum - GC-MS (TMS_1_4) - 70eV, Positive (MMDBc0032557)
Spectrum Details
| MiMe ID: | MMDBc0032557 |
|---|---|
| Compound Name: | CDP-DG(10:0/10:0(3-OH)) |
| Derivative IUPAC Name: | {[(2R,3R,5R)-5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}({[(2R)-3-(decanoyloxy)-2-[(3-hydroxydecanoyl)oxy]propoxy][(trimethylsilyl)oxy]phosphoryl}oxy)phosphinic acid |
| Derivative SMILES: | CCCCCCCCCC(=O)OC[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)C(O)[C@H]1O)OC(=O)CC(O)CCCCCCC |
| Derivative InChIKey: | InChIKey=CEIQAZGDRWSSHY-NFXPBIPJSA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_1_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: | C32H57N3O16P2 |
| Molecular Weight (Monoisotopic Mass): | 801.3214 Da |
| Derivative Type: | TMS_1_4 |
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 | 775 Bytes |
| mzML formatted file (MZML) | Download file | 4.63 KB |
References