Novel Analytical Workflow for Comprehensive Non-targeted Phytochemical Metabolic Profiling

Abstract

The understanding and interpretation of pharmacological properties on a molecular level is of great importance for many different fields of research. Our study provides a novel model work-flow for comprehensive metabolic profiling by structural identification of relevant metabolites not limited to phytochemistry applications. High resolution liquid chromatography mass spectrometry LC-MS/MS data can be directly correlated with pharmacological test results on a molecular level. Thus the understanding and interpretation of pharmacological properties is supported by structural and chemical information.

Keywords

• Mass spectrometry
• Metabolic profiling
• Natural products
• Statistical data analysis
• Structural characterization