Predicted GC-MS Spectrum

Fludrocortisone

Spectrum Details
Compound NameFludrocortisone
Spectrum TypePredicted GC-MS Spectrum
Splash Keysplash10-001i-1931370000-6ab908399e845fb3f5db
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: C[C@]12C[C@H](O[Si](C)(C)C)[C@@]3(F)[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O[Si](C)(C)C)C(=O)CO[Si](C)(C)C)

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]