Untargeted metabolomics profiling of Ajuga L. species (Lamiaceae): Comprehensive workflow and chemodiversity assessment using FTIR, QTRAP LC-MS/MS fingerprinting, and molecular networking

Key Points

• Identification of diverse metabolites highlights the chemodiversity of Ajuga L. species, revealing unique chemotypes.
• Using QTRAP LC-MS/MS fingerprinting, 125 distinct compounds were detected across the species, indicating significant metabolic variation.
• The study employs a comprehensive workflow combining FTIR and molecular networking to assess the untargeted metabolomic profiles.
• The findings may enable advances in pharmacognosy and sustainable plant utilization, underscoring the need for further exploration.