Fig. 3: De novo annotation of bryophyte metabolites.
From: MSNovelist: de novo structure generation from mass spectra
a, Scores of best MSNovelist candidates versus best database scores for 232 spectra; the solid line represents a 1:1, and the dashed line represents \({\mathrm{ModPlatt}}_{{\mathrm{MSNovelist}}} = {\mathrm{ModPlatt}}_{{\mathrm{DB} }} + 50\); labels indicate spectrum ID. b, MS2 spectrum of feature 377. c, Proposed spectrum interpretation for structure 377a (MSNovelist) and 377b (database).
