Nontarget screening

We are active in the Expert Committee for Nontarget Screening of the Water Chemical Society (GDCh, Association of German Chemists), in the US working group BP4NTS (benchmarks and publications or non-targeted analysis) initiated from NIST/EPA, and we are developing workflows for NTS measurements and data evaluation.  

NTS Guideline: the expert committee for non-target screening in the Water Chemical Society just finished the Guideline on the “Use of non-target screening by means of LC-ESI-HRMS in water analysis” (download at

  • Merel, S. and Zwiener, C. (2016) Assessing Transformation Products of Chemicals by Non-Target and Suspect Screening Strategies and Suspect Screening − Strategies and Workflows. Drewes, J.E. and Letzel, T. (eds), pp. 3-27, American Chemical Society, Washington, DC.
  • Schymanski, E., Singer, H., Slobodnik, J., Ipolyi, I., Oswald, P., Krauss, M., Schulze, T., Haglund, P., Letzel, T., Grosse, S., Thomaidis, N., Bletsou, A., Zwiener, C., Ibáñez, M., Portolés, T., de Boer, R., Reid, M., Onghena, M., Kunkel, U., Schulz, W., Guillon, A., Noyon, N., Leroy, G., Bados, P., Bogialli, S., Stipaničev, D., Rostkowski, P. and Hollender, J. (2015) Non-target screening with high-resolution mass spectrometry: critical review using a collaborative trial on water analysis. Analytical and Bioanalytical Chemistry 407(21), 6237-6255.   10.1007/s00216-015-8681-7
  • Jobelius, C., Frimmel, F.H. and Zwiener, C. (2014) Mass spectrometric screening and identification of acidic metabolites in fulvic acid fractions of contaminated groundwater. Analytical and Bioanalytical Chemistry 406(14), 3415-3429.   10.1007/s00216-014-7783-y
  • Zedda, M. and Zwiener, C. (2012) Is nontarget screening of emerging contaminants by LC-HRMS successful? A plea for compound libraries and computer tools. Analytical and Bioanalytical Chemistry 403(9), 2493-2502.   10.1007/s00216-012-5893-y