Predicted GC-MS Spectrum - GC-MS (TMS_1_1) - 70eV, Positive (MMDBc0033067)
Spectrum Details
| MiMe ID: | MMDBc0033067 |
|---|---|
| Compound Name: | pentaprenyl diphosphate |
| Derivative IUPAC Name: | ({[(3,7,11,15,19-pentamethylicosa-2,6,10,14,18-pentaen-1-yl)oxy][(trimethylsilyl)oxy]phosphoryl}oxy)phosphonic acid |
| Derivative SMILES: | CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCOP(=O)(O[Si](C)(C)C)OP(=O)(O)O |
| Derivative InChIKey: | InChIKey=YHFRIRWJFVLBMI-UHFFFAOYNA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_1_1) - 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: | C25H44O7P2 |
| Molecular Weight (Monoisotopic Mass): | 518.2562 Da |
| Derivative Type: | TMS_1_1 |
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 | 768 Bytes |
| mzML formatted file (MZML) | Download file | 4.63 KB |
References