Predicted GC-MS Spectrum - GC-MS (TMS_2_2) - 70eV, Positive (PHUB001695)
Spectrum Details
| PHUB ID: | PHUB001695 |
|---|---|
| Compound Name: | Secoisolariciresinol di-O-glucoside |
| Derivative IUPAC Name: | Not Available |
| Derivative SMILES: | COC1=CC(C[C@@H](CO[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)CC2=CC=C(O[Si](C)(C)C)C(OC)=C2)=CC=C1O |
| Derivative InChIKey: | Not Available |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_2_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: | C32H46O16 |
| Molecular Weight (Monoisotopic Mass): | 686.2786 Da |
| Derivative Type: | TMS_2_2 |
Notes
Predicted by CFM-ID 2.0, energy0
Documentation
Not Available
References
Not Available