Predicted GC-MS Spectrum - GC-MS (2 TMS) - 70eV, Positive (PHUB000170)
Spectrum Details
| PHUB ID: | PHUB000170 |
|---|---|
| Compound Name: | Glycyrrhetinic acid |
| Derivative IUPAC Name: | Not Available |
| Derivative SMILES: | CC1(C)C2CC[C@]3(C)C(C(=O)C=C4C5C[C@@](C)(C(=O)O[Si](C)(C)C)CC[C@]5(C)CC[C@]43C)[C@@]2(C)CC[C@@H]1O[Si](C)(C)C |
| Derivative InChIKey: | Not Available |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (2 TMS) - 70eV, Positive |
| Splash Key: | splash10-0f6t-0000192000-c460e8d231076de78a05 |
| 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: | C36H62O4Si2 |
| Molecular Weight (Monoisotopic Mass): | 614.419 Da |
| Derivative Type: | 2 TMS |
Notes
Predicted by CFMID-EI,
Ionization energy 70 eV fully TMS-derivatized (structure: CC1(C)C2CC[C@]3(C)C(C(=O)C=C4C5C[C@@](C)(C(=O)O[Si](C)(C)C)CC[C@]5(C)CC[C@]43C)[C@@]2(C)CC[C@@H]1O[Si](C)(C)C)
Documentation
Not Available
References
Not Available