Predicted GC-MS Spectrum - GC-MS (TMS_2_2) - 70eV, Positive (MMDBc0031482)
Spectrum Details
| MiMe ID: | MMDBc0031482 |
|---|---|
| Compound Name: | PG(15:0/19:iso) |
| Derivative IUPAC Name: | 1-[({3-hydroxy-2-[(trimethylsilyl)oxy]propoxy}[(trimethylsilyl)oxy]phosphoryl)oxy]-3-(pentadecanoyloxy)propan-2-yl 17-methyloctadecanoate |
| Derivative SMILES: | CCCCCCCCCCCCCCC(=O)OCC(COP(=O)(OCC(CO)O[Si](C)(C)C)O[Si](C)(C)C)OC(=O)CCCCCCCCCCCCCCCC(C)C |
| Derivative InChIKey: | InChIKey=KLZHHDDKNRBUTB-UHFFFAOYNA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - 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: | C40H79O10P |
| Molecular Weight (Monoisotopic Mass): | 750.5411 Da |
| Derivative Type: | TMS_2_2 |
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 | 780 Bytes |
| mzML formatted file (MZML) | Download file | 4.63 KB |
References