Predicted GC-MS Spectrum - GC-MS (TMS_2_10) - 70eV, Positive (PHUB000005)
Spectrum Details
| PHUB ID: | PHUB000005 |
|---|---|
| Compound Name: | Atractyloside |
| Derivative IUPAC Name: | Not Available |
| Derivative SMILES: | C=C1C2CCC3C4(C)CC(OC5OC(CO)C(OS(=O)(=O)O[Si](C)(C)C)C(OS(=O)(=O)O[Si](C)(C)C)C5OC(=O)CC(C)C)CC(C(=O)O)C4CCC3(C2)C1O |
| Derivative InChIKey: | Not Available |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_2_10) - 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: | C30H46O16S2 |
| Molecular Weight (Monoisotopic Mass): | 726.2227 Da |
| Derivative Type: | TMS_2_10 |
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: C=C1C2CCC3C4(C)CC(OC5OC(CO)C(OS(=O)(=O)O[Si](C)(C)C)C(OS(=O)(=O)O[Si](C)(C)C)C5OC(=O)CC(C)C)CC(C(=O)O)C4CCC3(C2)C1O)
Documentation
Not Available
References
Not Available