Predicted GC-MS Spectrum - GC-MS (TMS_5_43) - 70eV, Positive (PHUB001426)
Spectrum Details
| PHUB ID: | PHUB001426 |
|---|---|
| Compound Name: | Myricetin 3-O-glucuronide |
| Derivative IUPAC Name: | Not Available |
| Derivative SMILES: | C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=C(C3=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(O)=CC(O)=C3C2=O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C |
| Derivative InChIKey: | Not Available |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_5_43) - 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: | C21H18O14 |
| Molecular Weight (Monoisotopic Mass): | 494.0697 Da |
| Derivative Type: | TMS_5_43 |
Notes
Predicted by CFM-ID 2.0, energy0
Documentation
Not Available
References
Not Available