Predicted GC-MS Spectrum - GC-MS (5 TMS) - 70eV, Positive (PHUB000633)
Spectrum Details
| PHUB ID: | PHUB000633 |
|---|---|
| Compound Name: | Quinic acid |
| Derivative IUPAC Name: | Not Available |
| Derivative SMILES: | C[Si](C)(C)OC(=O)[C@@]1(O[Si](C)(C)C)CC(O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)C1 |
| Derivative InChIKey: | Not Available |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (5 TMS) - 70eV, Positive |
| Splash Key: | splash10-000i-5101950000-4c2d01cb772e2291e41a |
| 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: | C22H52O6Si5 |
| Molecular Weight (Monoisotopic Mass): | 552.261 Da |
| Derivative Type: | 5 TMS |
Notes
Predicted by CFMID-EI,
Ionization energy 70 eV fully TMS-derivatized (structure: C[Si](C)(C)OC(=O)[C@@]1(O[Si](C)(C)C)CC(O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)C1)
Documentation
Not Available
References
Not Available