Comparative metabolomics of Himalayan crab apple (Malus baccata) with commercially utilized apple (Malus domestica) using UHPLC-QTOF-IMS coupled with multivariate analysis

Abstract

A comprehensive UHPLC-QTOF-IMS based metabolomics investigation in skin and pulp of Malus domestica and Malus baccata was performed. M. domestica fruit parts had higher phenolic contents (25.75-43.05 mg GAE/g) as compared to M. baccata (18.10-28.37 mg GAE/g) and flavonoid content (1.34-9.59 mg RE/g) followed by promising antioxidant activity (MD_Skin _DPPH 119.41 µg/mL and MB_Skin _DPPH 148.24 µg/mL). Targeted metabolomics quantified higher chlorogenic acid in MD_pulp (929.54 mg/100 g) and phloridzin in MD_skin (722.54 mg/100 g). Amino acids, sugars, flavonoids, vitamins, nucleosides, quinones, fatty acids, and derivatives are among the 248 distinctive metabolites identified using non-targeted metabolomics. Multivariate data analysis, VIP projection and pathway interaction studies demonstrated the metabolic changes and differential distribution in both fruits. Using KEGG pathway enrichment analysis, the biosynthesis of flavone and flavonols is the most prevalent in both fruits. The current study found that M. baccata has a comparable metabolite distribution and should be considered for health-beneficial products.

Keywords: Fruits metabolomics; Multivariate analysis and pathway analysis; Pulp; Skin.