Predicted GC-MS Spectrum - GC-MS (TMS_1_3) - 70eV, Positive (MMDBc0031514)
Spectrum Details
| MiMe ID: | MMDBc0031514 |
|---|---|
| Compound Name: | PG(19:iso/15:0cyclo) |
| Derivative IUPAC Name: | 2-{[8-(2-butylcyclopropyl)octanoyl]oxy}-3-{[(2,3-dihydroxypropoxy)[(trimethylsilyl)oxy]phosphoryl]oxy}propyl 17-methyloctadecanoate |
| Derivative SMILES: | CCCCC1CC1CCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCC(C)C)COP(=O)(OCC(O)CO)O[Si](C)(C)C |
| Derivative InChIKey: | InChIKey=VSYJDCKICMKIQU-UHFFFAOYNA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_1_3) - 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: | C40H77O10P |
| Molecular Weight (Monoisotopic Mass): | 748.5254 Da |
| Derivative Type: | TMS_1_3 |
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