Predicted GC-MS Spectrum - GC-MS (TMS_2_15) - 70eV, Positive (MMDBc0047058)
Spectrum Details
| MiMe ID: | MMDBc0047058 |
|---|---|
| Compound Name: | PI(12:0/15:0) |
| Derivative IUPAC Name: | (2R)-1-(dodecanoyloxy)-3-[({[(1S,5R)-2,3,4,5-tetrahydroxy-6-[(trimethylsilyl)oxy]cyclohexyl]oxy}[(trimethylsilyl)oxy]phosphoryl)oxy]propan-2-yl pentadecanoate |
| Derivative SMILES: | CCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCC)COP(=O)(O[C@H]1C(O)C(O)C(O)[C@@H](O)C1O[Si](C)(C)C)O[Si](C)(C)C |
| Derivative InChIKey: | InChIKey=DUVKYADLYLAXBY-KIPJJFEISA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_2_15) - 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: | C36H69O13P |
| Molecular Weight (Monoisotopic Mass): | 740.4476 Da |
| Derivative Type: | TMS_2_15 |
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 | 781 Bytes |
| mzML formatted file (MZML) | Download file | 4.64 KB |
References