Metabolic fingerprinting of Leontopodium species (Asteraceae) by means of 1H NMR and HPLC-ESI-MS

► We investigated different Leontopodium species by comparing their metabolic profiles. ► PCA of 1H NMR data revealed two species groups, PCA of LC-MS data three groups. ► Discriminators could be identified as ent-kaurenoic acids and bisabolane derivatives. ► Intraspecific metabolic differences could be observed using a PLS-DA. ► The used techniques helped to assign species to mutual groups.