GNPS Retrospective Non-target Analysis to Support Regulatory Water Monitoring of Swiss Wastewater

Paper title: Retrospective Non-target Analysis to Support Regulatory Water Monitoring: from Masses of Interest to Recommendations via in silico workflows

Author List: Adelene Lai, Randolph R. Singh, Lubomira Kovalova, Oliver Jaeggi, Todor Kondic, Emma L. Schymanski

Brief description of the data submitted: Processed spectrum files in mzML format of Swiss wastewater samples measured using liquid-chromatography high-resolution tandem mass spectrometry (HR-MS/MS). Retrospective non-target analyses were performed on these data to tentatively identify chemical unknowns prioritised in regulatory monitoring.