Predicted GC-MS Spectrum

Nitisinone

Spectrum Details
Compound NameNitisinone
Spectrum TypePredicted GC-MS Spectrum
Splash Keysplash10-01ox-9453000000-6678c582428855d7d395
Spectrum View
Experimental Conditions
Ionization ModePositive
Chromatography TypeGC
Instrument TypeGC-MS
Notes

Predicted by CFMID-EI, energy0

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]