Predicted GC-MS Spectrum - (-)-Epigallocatechin 3-gallate 7-glucoside 4"-glucuronide GC-MS (TMS_1_11) - 70eV, Positive (HMDB0041730)
Spectrum Details
| HMDB ID: | HMDB0041730 |
|---|---|
| Compound Name: | (-)-Epigallocatechin 3-gallate 7-glucoside 4"-glucuronide |
| Derivative IUPAC Name: | Not Available |
| Derivative SMILES: | C[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](OC2=CC(O)=C3C[C@@H](OC(=O)C4=CC(O)=C(O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]5O)C(O)=C4)[C@@H](C4=CC(O)=C(O)C(O)=C4)OC3=C2)O[C@H](CO)[C@H]1O |
| Derivative InChIKey: | Not Available |
| Spectrum Type: | Predicted GC-MS Spectrum - (-)-Epigallocatechin 3-gallate 7-glucoside 4"-glucuronide GC-MS (TMS_1_11) - 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 |
| Derivative Type: | TMS_1_11 |
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: C[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](OC2=CC(O)=C3C[C@@H](OC(=O)C4=CC(O)=C(O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]5O)C(O)=C4)[C@@H](C4=CC(O)=C(O)C(O)=C4)OC3=C2)O[C@H](CO)[C@H]1O)
Documentation
| Document Description | Download | File Size |
|---|---|---|
| List of m/z values for the spectrum (TXT) | Download file | 756 Bytes |
| mzML formatted file (MZML) | Download file | 4.66 KB |
References
Not Available