Investigation of Chemical Profiles of Different Parts of Morus alba Using a Combination of Molecular Networking Methods with Mass Spectral Data from Two Ionization Modes of LC/MS

Abstract

Plants produce numerous secondary metabolites with diverse physicochemical properties. Because different parts of a single plant produce various components, several spectroscopic methods are necessary to inspect their chemical profiles. Mass spectral data are recognized as one of the most useful tools for analyzing components with a wide range of polarities. However, interpreting mass spectral data generated from positive and negative ionization modes is a challenging task because of the diverse chemical profiles of secondary metabolites. Herein, we combine and analyze mass spectral data generated in two ionization modes to detect as many metabolites as possible using the molecular networking approach. We selected different parts of a single plant, Morus alba (Moraceae), which are used in the functional food and medicinal herb industries. The mass spectral data generated from two ionization modes were combined and analyzed using various molecular networking workflows. We confirmed that our approach could be applied to simultaneously analyze the different types of secondary metabolites with different physicochemical properties.