Spectrum Details
| Compound Name | Tiagabine |
|---|---|
| Spectrum Type | Predicted GC-MS Spectrum |
| Splash Key | splash10-00e9-9141000000-ad3f282e81f21efc67a4 |
Spectrum View
Experimental Conditions
| Ionization Mode | Positive |
|---|---|
| Chromatography Type | GC |
| Instrument Type | GC-MS |
| Derivative Type | 1 TMS |
Notes
Predicted by CFMID-EI, Ionization energy 70 eV fully TMS-derivatized (structure: CC1=C(C(=CCCN2CCC[C@@H](C(=O)O[Si](C)(C)C)C2)C2=C(C)C=CS2)SC=C1)
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
