Predicted GC-MS Spectrum - GC-MS (TMS_1_2) - 70eV, Positive (CHEM033617)
Spectrum Details
| chemdb ID: | CHEM033617 |
|---|---|
| Compound Name: | Theogallinin |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_1_2) - 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: | C36H32O21 |
| Molecular Weight (Monoisotopic Mass): | 800.1436 Da |
| Molecular Weight (Avergae Mass): | 800.6267 Da |
| Derivative Type: | TMS_1_2 |
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: C[Si](C)(C)OC1(C(=O)O)CC(O)C(O)C(C(=O)OC2=CC(O)=C(O)C(O)=C2C2=C(O)C(O)=C(O)C=C2C2OC3=CC(O)=CC(O)=C3CC2OC(=O)C2=CC(O)=C(O)C(O)=C2)C1)
Documentation
| Document Description | Download |
|---|---|
| List of m/z values for the spectrum | Download file |
| mzML formatted file | Download file |
References
Not Available