Predicted GC-MS Spectrum - GC-MS (TMS_4_18) - 70eV, Positive (PHUB001666)
Spectrum Details
| PHUB ID: | PHUB001666 |
|---|---|
| Compound Name: | Vitisin A |
| Derivative IUPAC Name: | Not Available |
| Derivative SMILES: | COC1=CC(C2=[O+]C3=CC(O)=CC4=C3C(=C2O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O)C=C(C(=O)O[Si](C)(C)C)O4)=CC(OC)=C1O[Si](C)(C)C |
| Derivative InChIKey: | Not Available |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_4_18) - 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: | C26H25O14 |
| Molecular Weight (Monoisotopic Mass): | 561.1239 Da |
| Derivative Type: | TMS_4_18 |
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: COC1=CC(C2=[O+]C3=CC(O)=CC4=C3C(=C2O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O)C=C(C(=O)O[Si](C)(C)C)O4)=CC(OC)=C1O[Si](C)(C)C)
Documentation
Not Available
References
Not Available