Predicted GC-MS Spectrum
Spectrum Details
| Compound Name: | Bimatoprost |
|---|---|
| Spectrum Type: | Predicted GC-MS Spectrum |
| Splash Key: | splash10-014i-6231489000-2ec035b55530648dfa88 |
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: CCNC(=O)CCC/C=C\C[C@H]1[C@@H](O[Si](C)(C)C)C[C@@H](O[Si](C)(C)C)[C@@H]1/C=C/[C@H](CCC1=CC=CC=C1)O[Si](C)(C)C)
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
