Chemometrics-based LC-UV-ESIMS analyses of 50 Salvia species for detecting their antioxidant constituents.

Iran is one of the main hubs for sage's diversity in Asia. Generally, prediction and characterization of the chemical structures of the specialized metabolites that have significant role in the bioactivity of a plant remains a significant challenge. In this study, 50 different accessions of 32 Salvia species in 2015 and 2017 were collected and extracted for their phenolics, using 80 % methanol. LC-PDA-ESIMS analyses was coupled with multivariate analysis to identify the specific metabolites in the plant extracts, responsible for the antioxidant activity. Based on the variable importance in projection (VIP) method on the Genetic algorithm combined with PLS (GA-PLS) models, eighteen peaks were detected as multifunctional compounds. The putative phenolic compounds were attributed to apigenin-O-diglucoside, rutin, cynaroside, luteolin-7-O-glucoronide, apigenin-7-O-glucoside, apigenin-7-O-glucuronide, hispidulin-7-O-glucuronide, hispidulin-7-O-glucoside, rosmarinic acid, salvianolic acid B derivative, cirsimaritin, eupatorin, and carnosol. This investigation showed that the Salvia's extract can facilitate an opportunity for rapid detection, isolation and development of antioxidant agents.