Predicted GC-MS Spectrum - GC-MS (TMS_1_3) - 70eV, Positive (CHEM032676)
Spectrum Details
| chemdb ID: | CHEM032676 |
|---|---|
| Compound Name: | 5-O-Digalloyl-3,4-di-O-galloylquinic acid |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_1_3) - 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: | C35H28O22 |
| Molecular Weight (Monoisotopic Mass): | 800.1072 Da |
| Molecular Weight (Avergae Mass): | 800.5836 Da |
| Derivative Type: | TMS_1_3 |
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: C[Si](C)(C)OC1=CC(C(=O)O[C@@H]2C[C@](O)(C(=O)O)C[C@@H](OC(=O)C3=CC(O)=C(OC(=O)C4=CC(O)=C(O)C(O)=C4)C(O)=C3)[C@H]2OC(=O)C2=CC(O)=C(O)C(O)=C2)=CC(O)=C1O)
Documentation
| Document Description | Download |
|---|---|
| List of m/z values for the spectrum | Download file |
| mzML formatted file | Download file |
References
Not Available