Predicted GC-MS Spectrum - GC-MS (4 TMS) - 70eV, Positive (PHUB001316)
Spectrum Details
| PHUB ID: | PHUB001316 |
|---|---|
| Compound Name: | Quercetin 3'-O-sulfate |
| Derivative IUPAC Name: | Not Available |
| Derivative SMILES: | C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C(=O)C(O[Si](C)(C)C)=C(C3=CC=C(O[Si](C)(C)C)C(OS(=O)(=O)O)=C3)OC2=C1 |
| Derivative InChIKey: | Not Available |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (4 TMS) - 70eV, Positive |
| Splash Key: | splash10-0a4j-2064095000-71dfd01a4a9d14a0e4a1 |
| 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: | C27H42O10SSi4 |
| Molecular Weight (Monoisotopic Mass): | 670.158 Da |
| Derivative Type: | 4 TMS |
Notes
Predicted by CFMID-EI,
Ionization energy 70 eV fully TMS-derivatized (structure: C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C(=O)C(O[Si](C)(C)C)=C(C3=CC=C(O[Si](C)(C)C)C(OS(=O)(=O)O)=C3)OC2=C1)
Documentation
Not Available
References
Not Available