Predicted GC-MS Spectrum - GC-MS ( TMS) - 70eV, Positive (PHUB001419)
Spectrum Details
| PHUB ID: | PHUB001419 |
|---|---|
| Compound Name: | Petunidin |
| Derivative IUPAC Name: | Not Available |
| Derivative SMILES: | COC1=CC(C2=[O+]C3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C=C2O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1O[Si](C)(C)C |
| Derivative InChIKey: | Not Available |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS ( TMS) - 70eV, Positive |
| Splash Key: | splash10-03di-2003009000-1a401589995291a7fec4 |
| 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: | C16H13O7 |
| Molecular Weight (Monoisotopic Mass): | 317.0656 Da |
| Derivative Type: | TMS |
Notes
Predicted by CFMID-EI,
Ionization energy 70 eV fully TMS-derivatized (structure: COC1=CC(C2=[O+]C3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C=C2O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1O[Si](C)(C)C)
Documentation
Not Available
References
Not Available