Predicted GC-MS Spectrum - GC-MS (TMS_1_5) - 70eV, Positive (MMDBc0031164)
Spectrum Details
| MiMe ID: | MMDBc0031164 |
|---|---|
| Compound Name: | CDP-DG(10:0/12:0) |
| Derivative IUPAC Name: | ({[(2R)-3-(decanoyloxy)-2-(dodecanoyloxy)propoxy](hydroxy)phosphoryl}oxy)({[(2R,3R,5R)-3,4-dihydroxy-5-{2-oxo-4-[(trimethylsilyl)amino]-1,2-dihydropyrimidin-1-yl}oxolan-2-yl]methoxy})phosphinic acid |
| Derivative SMILES: | CCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(N[Si](C)(C)C)=NC2=O)C(O)[C@H]1O |
| Derivative InChIKey: | InChIKey=CAXSURMWWMPFCW-AACFOHPMSA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_1_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: | C34H61N3O15P2 |
| Molecular Weight (Monoisotopic Mass): | 813.3578 Da |
| Derivative Type: | TMS_1_5 |
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 | 779 Bytes |
| mzML formatted file (MZML) | Download file | 4.63 KB |
References