Predicted GC-MS Spectrum - GC-MS (TMS_1_4) - 70eV, Positive (CHEM041600)
Spectrum Details
| chemdb ID: | CHEM041600 |
|---|---|
| Compound Name: | Epigallocatechin 3-gallate 7-glucoside 4"-glucuronide |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_1_4) - 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: | C34H36O22 |
| Molecular Weight (Monoisotopic Mass): | 796.1698 Da |
| Molecular Weight (Avergae Mass): | 796.6364 Da |
| Derivative Type: | TMS_1_4 |
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: C[Si](C)(C)O[C@@H]1[C@@H](C(=O)O)O[C@@H](OC2=C(O)C=C(C(=O)O[C@@H]3CC4=C(O)C=C(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)C=C4O[C@@H]3C3=CC(O)=C(O)C(O)=C3)C=C2O)[C@H](O)[C@H]1O)
Documentation
| Document Description | Download |
|---|---|
| List of m/z values for the spectrum | Download file |
| mzML formatted file | Download file |
References
Not Available