Non-targeted LC-MS Metabolite profiling: Contrasting water hydrodistillation and methanol extraction of Rose damascens Mill

Rose damascens essential oil has been highly valued for its pleasant aroma and multiple therapeutic properties such as improving mood and anxiety. However, the industrial waste generated in the essential oil industry, especially wastewater, poses a challenge to sustainability. In this study, a non-targeted LC-MS based metabolomics approach was carried out to reveal the compositions of wastewater during the hydrodistillation of rose essential oil. 1088 different metabolites were detected compared with methanol extract, with prominent concentrations of polyphenols, flavonoids, organic acids, amino acids, dipeptides, fatty acids, small molecule sugars, and vitamins. According to the research based on the Kyoto Encyclopedia of Genes and Genomes (KEGG), 637 metabolites of 1088, including 96 flavonoids and 20 polyphenols, showed enrichment in metabolism-related pathways. Notably, a gradual enrichment and stabilization of metabolites in the industrial wastewater of rose oil extraction. •Non-targeted LC-MS metabolite was designed for rose hydrodistillation water and methanol extract.•Metabolites were encirched in hydrodistillation water.•Total 1088 differential metabolites were identified.•96 flavonoids and 20 polyphenols were enrichment in metabolism-related pathways.