Fig. 3. De novo annotation of bryophyte metabolites.

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).