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TargetScreener 4D workflow: Providing solutions in environmental monitoring studies

Thousands of chemicals originating from anthropogenic sources are released daily into the environment. Therefore a comprehensive and systematic environmental monitoring is necessary for the establishment of effective mitigation measures for contaminants with persistent bioaccumulative and toxic characteristics (PBT). In this study, a CCS-aware database was etablished, containing LC-ESI-TIMS-HRMS data of more than 1,000 environmental contaminants, typically found in environmental matrices. The included compounds belonged to several classes, such as pharmaceuticals, personal care products, drugs of abuse, pesticides, as well as their transformation products. As test samples, different environmental matrices were utilized, representing the challenge and needed performance for a comprehensive screening approach. Trapped Ion Mobility Spectrometry (TIMS) coupled to High Resolution Mass Spectrometry (HRMS) were used to enhance the reliable identification of contaminants.