Non-Targeted Environmental Toxicology Profiling Applied to LC/QTOF River Water Analysis

User Benefits

- River water samples were measured by direct injection by LC/QTOF mass spectrometry with minimal pretreatment using a non-targeted data independent acquisition (DIA) method. - Non-targeted analysis (NTA) software, LabSolutions Insight Profiler, was applied to perform feature detection, data alignment, statistical analysis and compound identification, successfully detecting contaminants of environmental concern (CECs). - CECs included pharmaceuticals, antibiotics, restricted substances and wider pollutants including HMMM and phthalates.

Introduction

Wastewater-based epidemiological studies have provided valuable insights into wastewater treatment processes and, in recent years, have supported the identification and monitoring of contaminants of environmental concern (CECs). Both targeted and non-targeted analysis (NTA) using full-scan high-resolution mass spectrometry with data-independent acquisition (DIA-MS/MS) have been applied to detect CECs associated with treated and untreated wastewater, including those potentially discharged into receiving waters during storm overflow events. In this study, river water grab samples were collected across tidal and freshwater environmental systems. High-resolution LC/QTOF analysis was performed using a direct-injection reversed-phase method with DIA-MS/MS acquisition. Data were processed using non-targeted profiling software to characterise the detected chemical features and identify differences in their distribution both between and within predefined sample groups.

October 19, 2026 GMT