Predicted GC-MS Spectrum - GC-MS (3 TMS) - 70eV, Positive (PHUB002148)
Spectrum Details
| PHUB ID: | PHUB002148 |
|---|---|
| Compound Name: | 3′-Methoxy-(−)-epicatechin-7-glucuronide |
| Derivative IUPAC Name: | Not Available |
| Derivative SMILES: | COC1=CC([C@H]2OC3=CC(O[C@@H]4O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]4O)=CC(O)=C3C[C@H]2O)=CC=C1O[Si](C)(C)C |
| Derivative InChIKey: | Not Available |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (3 TMS) - 70eV, Positive |
| Splash Key: | splash10-001i-4211129000-bd9c4db314a9c0963f7a |
| 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: | C31H48O12Si3 |
| Molecular Weight (Monoisotopic Mass): | 696.245 Da |
| Derivative Type: | 3 TMS |
Notes
Predicted by CFMID-EI,
Ionization energy 70 eV fully TMS-derivatized (structure: COC1=CC([C@H]2OC3=CC(O[C@@H]4O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]4O)=CC(O)=C3C[C@H]2O)=CC=C1O[Si](C)(C)C)
Documentation
Not Available
References
Not Available