Predicted GC-MS Spectrum - GC-MS (5 TMS) - 70eV, Positive (PHUB000304)
Spectrum Details
| PHUB ID: | PHUB000304 |
|---|---|
| Compound Name: | Digallic acid |
| Derivative IUPAC Name: | Not Available |
| Derivative SMILES: | C[Si](C)(C)OC(=O)C1=CC(OC(=O)C2=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)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 (5 TMS) - 70eV, Positive |
| Splash Key: | splash10-01b9-1009003000-cd8acb11ec0152f73253 |
| 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: | C29H50O9Si5 |
| Molecular Weight (Monoisotopic Mass): | 682.23 Da |
| Derivative Type: | 5 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(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)=C(O)C(O[Si](C)(C)C)=C1)
Documentation
Not Available
References
Not Available