Predicted GC-MS Spectrum - GC-MS (3 TMS) - 70eV, Positive (PHUB001141)
Spectrum Details
| PHUB ID: | PHUB001141 |
|---|---|
| Compound Name: | Quercetin 3'-O-glucuronide |
| Derivative IUPAC Name: | Not Available |
| Derivative SMILES: | C[Si](C)(C)O[C@@H]1[C@@H](O[Si](C)(C)C)[C@H](OC2=CC(C3=C(O)C(=O)C4=C(O)C=C(O)C=C4O3)=CC=C2O)O[C@H](C(=O)O)[C@H]1O[Si](C)(C)C |
| Derivative InChIKey: | Not Available |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (3 TMS) - 70eV, Positive |
| Splash Key: | splash10-0fc0-2013119000-16b9494307f91be7ae67 |
| 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: | C30H42O13Si3 |
| Molecular Weight (Monoisotopic Mass): | 694.193 Da |
| Derivative Type: | 3 TMS |
Notes
Predicted by CFMID-EI,
Ionization energy 70 eV fully TMS-derivatized (structure: C[Si](C)(C)O[C@@H]1[C@@H](O[Si](C)(C)C)[C@H](OC2=CC(C3=C(O)C(=O)C4=C(O)C=C(O)C=C4O3)=CC=C2O)O[C@H](C(=O)O)[C@H]1O[Si](C)(C)C)
Documentation
Not Available
References
Not Available