Predicted GC-MS Spectrum - GC-MS (3 TMS) - 70eV, Positive (PHUB001424)
Spectrum Details
| PHUB ID: | PHUB001424 |
|---|---|
| Compound Name: | m-Trigallic acid |
| Derivative IUPAC Name: | Not Available |
| Derivative SMILES: | C[Si](C)(C)OC(=O)C1=CC(OC(=O)C2=CC(OC(=O)C3=CC(O)=C(O)C(O)=C3)=C(O)C(O[Si](C)(C)C)=C2)=C(O)C(O[Si](C)(C)C)=C1 |
| Derivative InChIKey: | Not Available |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (3 TMS) - 70eV, Positive |
| Splash Key: | splash10-0fb9-1907002000-e4ece7d758ae94f7e088 |
| 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: | C30H38O13Si3 |
| Molecular Weight (Monoisotopic Mass): | 690.162 Da |
| Derivative Type: | 3 TMS |
Notes
Predicted by CFMID-EI,
Ionization energy 70 eV fully TMS-derivatized (structure: C[Si](C)(C)OC(=O)C1=CC(OC(=O)C2=CC(OC(=O)C3=CC(O)=C(O)C(O)=C3)=C(O)C(O[Si](C)(C)C)=C2)=C(O)C(O[Si](C)(C)C)=C1)
Documentation
Not Available
References
Not Available