Predicted GC-MS Spectrum - GC-MS (5 TMS) - 70eV, Positive (PHUB000305)
Spectrum Details
| PHUB ID: | PHUB000305 |
|---|---|
| Compound Name: | Gallic acid 4-O-glucoside |
| Derivative IUPAC Name: | Not Available |
| Derivative SMILES: | C[Si](C)(C)OC[C@H]1O[C@@H](OC2=C(O[Si](C)(C)C)C=C(C(=O)O[Si](C)(C)C)C=C2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O |
| Derivative InChIKey: | Not Available |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (5 TMS) - 70eV, Positive |
| Splash Key: | splash10-004i-2402019000-e9106a7d4c43eab6a9e2 |
| 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: | C28H56O10Si5 |
| Molecular Weight (Monoisotopic Mass): | 692.272 Da |
| Derivative Type: | 5 TMS |
Notes
Predicted by CFMID-EI,
Ionization energy 70 eV fully TMS-derivatized (structure: C[Si](C)(C)OC[C@H]1O[C@@H](OC2=C(O[Si](C)(C)C)C=C(C(=O)O[Si](C)(C)C)C=C2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O)
Documentation
Not Available
References
Not Available