Predicted GC-MS Spectrum

Fluvastatin

Spectrum Details
Compound NameFluvastatin
Spectrum TypePredicted GC-MS Spectrum
Splash Keysplash10-03g0-9113255000-bbcec21c7d8450380f53
Spectrum View
Experimental Conditions
Ionization ModePositive
Chromatography TypeGC
Instrument TypeGC-MS
Derivative Type3 TMS
Notes

Predicted by CFMID-EI, Ionization energy 70 eV fully TMS-derivatized (structure: CC(C)N1C(/C=C/[C@@H](C[C@@H](CC(=O)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)=C(C2=CC=C(F)C=C2)C2=CC=CC=C21)

Documentation
Document DescriptionDownload
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]