Predicted GC-MS Spectrum - GC-MS (TMS_2_5) - 70eV, Positive (MMDBc0008455)
Spectrum Details
| MiMe ID: | MMDBc0008455 |
|---|---|
| Compound Name: | Glycolipid G4 |
| Derivative IUPAC Name: | (2S)-1-{[(2S,3R,5S,6R)-4-hydroxy-6-(hydroxymethyl)-3,5-bis[(trimethylsilyl)oxy]oxan-2-yl]oxy}-3-(pentadecyloxy)propan-2-yl pentadecanoate |
| Derivative SMILES: | CCCCCCCCCCCCCCCOC[C@@H](CO[C@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C)C(O)[C@H]1O[Si](C)(C)C)OC(=O)CCCCCCCCCCCCCC |
| Derivative InChIKey: | InChIKey=VLJGACFCQQSHPH-MABWYSIXSA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_2_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: | C39H76O9 |
| Molecular Weight (Monoisotopic Mass): | 688.5489 Da |
| Derivative Type: | TMS_2_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 | 778 Bytes |
| mzML formatted file (MZML) | Download file | 4.63 KB |
References