GNPSapplication/xmlftp://massive-ftp.ucsd.edu/v03/MSV000086631/primaryOK2000000MetabolomicsEmma SchymanskiQ ExactiveNone.https://massive.ucsd.edu/ProteoSAFe/dataset.jsp?task=14f51e6ec99a42329e7a0eeaad0e5824emma.schymanski@uni.luLuxembourg Centre for Systems BiomedicineGNPS146MS:1002864 - No post-translational-modifications are included in the identified peptides of this dataset0falseGNPS 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. Tue Dec 22 11:07:00 GMT 2020MSV00008663132644