| Exploring the potential of a global emerging contaminant early warning network through the use of retrospective suspect screening with high-resolution mass spectrometry
Alygizakis, N. A., Samanipour, S., Hollender, J., Ibáñez, M., Kaserzon, S., Kokkali, V., … Thomas, K. V. (2018). Exploring the potential of a global emerging contaminant early warning network through the use of retrospective suspect screening with high-resolution mass spectrometry. Environmental Science and Technology, 52(9), 5135-5144. https://doi.org/10.1021/acs.est.8b00365 |
| Nontarget screening with high resolution mass spectrometry in the environment: ready to go?
Hollender, J., Schymanski, E. L., Singer, H. P., & Ferguson, P. L. (2017). Nontarget screening with high resolution mass spectrometry in the environment: ready to go? Environmental Science and Technology, 51(20), 11505-11512. https://doi.org/10.1021/acs.est.7b02184 |
| Similarity of high-resolution tandem mass spectrometry spectra of structurally related micropollutants and transformation products
Schollée, J. E., Schymanski, E. L., Stravs, M. A., Gulde, R., Thomaidis, N. S., & Hollender, J. (2017). Similarity of high-resolution tandem mass spectrometry spectra of structurally related micropollutants and transformation products. Journal of the American Society for Mass Spectrometry, 28(12), 2692-2704. https://doi.org/10.1007/s13361-017-1797-6 |
| Effect-directed analysis supporting monitoring of aquatic environments — an in-depth overview
Brack, W., Ait-Aissa, S., Burgess, R. M., Busch, W., Creusot, N., Di Paolo, C., … Krauss, M. (2016). Effect-directed analysis supporting monitoring of aquatic environments — an in-depth overview. Science of the Total Environment, 544, 1073-1118. https://doi.org/10.1016/j.scitotenv.2015.11.102 |
| Nontarget analysis of environmental samples based on liquid chromatography coupled to high resolution mass spectrometry (LC-HRMS)
Gago-Ferrero, P., Schymanski, E. L., Hollender, J., & Thomaidis, N. S. (2016). Nontarget analysis of environmental samples based on liquid chromatography coupled to high resolution mass spectrometry (LC-HRMS). In S. Pérez, P. Eichhorn, & D. Barceló (Eds.), Comprehensive analytical chemistry: Vol. 71. Applications of time-of-flight and orbitrap mass spectrometry in environmental, food, doping, and forensic analysis (pp. 381-403). https://doi.org/10.1016/bs.coac.2016.01.012 |
| Temporal trend analysis on LC-HRMS measurements of lake sediments to prioritize organic contaminants
Günthardt, B. F. (2016). Temporal trend analysis on LC-HRMS measurements of lake sediments to prioritize organic contaminants [Master thesis]. |
| MetFrag relaunched: incorporating strategies beyond <I>in silico</I> fragmentation
Ruttkies, C., Schymanski, E. L., Wolf, S., Hollender, J., & Neumann, S. (2016). MetFrag relaunched: incorporating strategies beyond in silico fragmentation. Journal of Cheminformatics, 8, 3 (16 pp.). https://doi.org/10.1186/s13321-016-0115-9 |
| Statistical approaches for LC-HRMS data to characterize, prioritize, and identify transformation products from water treatment processes
Schollée, J. E., Schymanski, E. L., & Hollender, J. (2016). Statistical approaches for LC-HRMS data to characterize, prioritize, and identify transformation products from water treatment processes. In J. E. Drewes & T. Letzel (Eds.), ACS symposium series: Vol. 1241. Assessing transformation products of chemicals by non-target and suspect screening - strategies and workflows. Volume 1 (pp. 45-65). https://doi.org/10.1021/bk-2016-1241.ch004 |
| Retention projection enables accurate calculation of liquid chromatographic retention times across labs and methods
Abate-Pella, D., Freund, D. M., Ma, Y., Simón-Manso, Y., Hollender, J., Broeckling, C. D., … Boswell, P. G. (2015). Retention projection enables accurate calculation of liquid chromatographic retention times across labs and methods. Journal of Chromatography A, 1412, 43-51. https://doi.org/10.1016/j.chroma.2015.07.108 |
| Future water quality monitoring - adapting tools to deal with mixtures of pollutants in water resource management
Ait-Aissa, S., Altenburger, R., Antczak, P., Backhaus, T., Barceló, D., Seiler, T. B., … Brack, W. (2015). Future water quality monitoring - adapting tools to deal with mixtures of pollutants in water resource management. Science of the Total Environment, 512-513, 540-551. https://doi.org/10.1016/j.scitotenv.2014.12.057 |
| Extended suspect and non-target strategies to characterize emerging polar organic contaminants in raw wastewater with LC-HRMS/MS
Gago-Ferrero, P., Schymanski, E. L., Bletsou, A. A., Aalizadeh, R., Hollender, J., & Thomaidis, N. S. (2015). Extended suspect and non-target strategies to characterize emerging polar organic contaminants in raw wastewater with LC-HRMS/MS. Environmental Science and Technology, 49(20), 12333-12341. https://doi.org/10.1021/acs.est.5b03454 |
| Prioritizing unknown transformationproducts from biologically-treated wastewater using high-resolution mass spectrometry, multivariate statistics, and metabolic logic
Schollée, J. E., Schymanski, E. L., Avak, S. E., Loos, M., & Hollender, J. (2015). Prioritizing unknown transformationproducts from biologically-treated wastewater using high-resolution mass spectrometry, multivariate statistics, and metabolic logic. Analytical Chemistry, 87(24), 12121-12129. https://doi.org/10.1021/acs.analchem.5b02905 |
| Non-target screening with high-resolution mass spectrometry: critical review using a collaborative trial on water analysis
Schymanski, E. L., Singer, H. P., Slobodnik, J., Ipolyi, I. M., Oswald, P., Krauss, M., … 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. https://doi.org/10.1007/s00216-015-8681-7 |
| Suspect and nontarget screening approaches to identify organic contaminant records in lake sediments
Chiaia-Hernandez, A. C., Schymanski, E. L., Kumar, P., Singer, H. P., & Hollender, J. (2014). Suspect and nontarget screening approaches to identify organic contaminant records in lake sediments. Analytical and Bioanalytical Chemistry, 406(28), 7323-7335. https://doi.org/10.1007/s00216-014-8166-0 |
| Exploring the behaviour of emerging contaminants in the water cycle using the capabilities of high resolution mass spectrometry
Hollender, J., Bourgin, M., Fenner, K. B., Longrée, P., Mcardell, C. S., Moschet, C., … Singer, H. P. (2014). Exploring the behaviour of emerging contaminants in the water cycle using the capabilities of high resolution mass spectrometry. Chimia, 68(11), 793-798. https://doi.org/10.2533/chimia.2014.793 |
| Biotransformation of benzotriazoles: insights from transformation product identification and compound-specific isotope analysis
Huntscha, S., Hofstetter, T. B., Schymanski, E. L., Spahr, S., & Hollender, J. (2014). Biotransformation of benzotriazoles: insights from transformation product identification and compound-specific isotope analysis. Environmental Science and Technology, 48(8), 4435-4443. https://doi.org/10.1021/es405694z |
| Identifying small molecules via high resolution mass spectrometry: communicating confidence
Schymanski, E. L., Jeon, J., Gulde, R., Fenner, K., Ruff, M., Singer, H. P., & Hollender, J. (2014). Identifying small molecules via high resolution mass spectrometry: communicating confidence. Environmental Science and Technology, 48(4), 2097-2098. https://doi.org/10.1021/es5002105 |
| Strategies to characterize polar organic contamination in wastewater: exploring the capability of high resolution mass spectrometry
Schymanski, E. L., Singer, H. P., Longrée, P., Loos, M., Ruff, M., Stravs, M. A., … Hollender, J. (2014). Strategies to characterize polar organic contamination in wastewater: exploring the capability of high resolution mass spectrometry. Environmental Science and Technology, 48(3), 1811-1818. https://doi.org/10.1021/es4044374 |
| Automatic recalibration and processing of tandem mass spectra using formula annotation
Stravs, M. A., Schymanski, E. L., Singer, H. P., & Hollender, J. (2013). Automatic recalibration and processing of tandem mass spectra using formula annotation. Journal of Mass Spectrometry, 48(1), 89-99. https://doi.org/10.1002/jms.3131 |