Spectrum Details
| Compound Name | |
|---|---|
| Spectrum Type | Predicted GC-MS Spectrum |
| Splash Key | splash10-08fr-3403229000-24ee16f5f1e9c45cb792 |
Spectrum View
Experimental Conditions
| Ionization Mode | Positive |
|---|---|
| Chromatography Type | GC |
| Instrument Type | GC-MS |
| Derivative Type | 3 TMS |
Notes
Predicted by CFMID-EI, Ionization energy 70 eV fully TMS-derivatized (structure: C[C@@H]1C[C@H]2[C@H]3[C@H]([C@@H](O[Si](C)(C)C)C[C@]2(C)[C@@]1(O[Si](C)(C)C)C(=O)CO[Si](C)(C)C)[C@@]1(C)C=CC(=O)C=C1C[C@H]3Cl)
Documentation
| Document Description | Download |
|---|---|
| List of m/z values for the spectrum (TXT) | Download file |
| Generated list of m/z values for the spectrum (TXT) | Download file |
References
- Allen F, Pon A, Greiner R, Wishart D: Computational Prediction of Electron Ionization Mass Spectra to Assist in GC/MS Compound Identification. Anal Chem. 2016 Aug 2;88(15):7689-97. doi: 10.1021/acs.analchem.6b01622. Epub 2016 Jul 21. [PubMed: 27381172]
Structure
