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Emma Schymanski
Emma Schymanski
Full Prof & PI, Environmental Cheminformatics, LCSB, Uni Luxembourg
Bestätigte E-Mail-Adresse bei uni.lu - Startseite
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Identifying small molecules via high resolution mass spectrometry: communicating confidence
EL Schymanski, J Jeon, R Gulde, K Fenner, M Ruff, HP Singer, ...
Environmental science & technology 48 (4), 2097-2098, 2014
31922014
MetFrag relaunched: incorporating strategies beyond in silico fragmentation
C Ruttkies, EL Schymanski, S Wolf, J Hollender, S Neumann
Journal of cheminformatics 8, 1-16, 2016
9532016
The exposome and health: Where chemistry meets biology
R Vermeulen, EL Schymanski, AL Barabási, GW Miller
Science 367 (6476), 392-396, 2020
7422020
Non-target screening with high-resolution mass spectrometry: critical review using a collaborative trial on water analysis
EL Schymanski, HP Singer, J Slobodnik, IM Ipolyi, P Oswald, M Krauss, ...
Analytical and bioanalytical chemistry 407, 6237-6255, 2015
6872015
Nontarget screening with high resolution mass spectrometry in the environment: ready to go?
J Hollender, EL Schymanski, HP Singer, PL Ferguson
Environmental Science & Technology 51 (20), 11505-11512, 2017
6462017
Mass spectral databases for LC/MS-and GC/MS-based metabolomics: State of the field and future prospects
M Vinaixa, EL Schymanski, S Neumann, M Navarro, RM Salek, O Yanes
TrAC Trends in Analytical Chemistry 78, 23-35, 2016
5632016
Tracking complex mixtures of chemicals in our changing environment
BI Escher, HM Stapleton, EL Schymanski
Science 367 (6476), 388-392, 2020
5622020
Strategies to characterize polar organic contamination in wastewater: exploring the capability of high resolution mass spectrometry
EL Schymanski, HP Singer, P Longrée, M Loos, M Ruff, MA Stravs, ...
Environmental science & technology 48 (3), 1811-1818, 2014
4432014
Effect-directed analysis supporting monitoring of aquatic environments—an in-depth overview
W Brack, S Ait-Aissa, RM Burgess, W Busch, N Creusot, C Di Paolo, ...
Science of the Total Environment 544, 1073-1118, 2016
4242016
Future water quality monitoring—Adapting tools to deal with mixtures of pollutants in water resource management
R Altenburger, S Ait-Aissa, P Antczak, T Backhaus, D Barceló, TB Seiler, ...
Science of the total environment 512, 540-551, 2015
3592015
Extended suspect and non-target strategies to characterize emerging polar organic contaminants in raw wastewater with LC-HRMS/MS
P Gago-Ferrero, EL Schymanski, AA Bletsou, R Aalizadeh, J Hollender, ...
Environmental science & technology 49 (20), 12333-12341, 2015
3582015
Future water quality monitoring: improving the balance between exposure and toxicity assessments of real-world pollutant mixtures
R Altenburger, W Brack, RM Burgess, W Busch, BI Escher, A Focks, ...
Environmental Sciences Europe 31 (1), 1-17, 2019
2572019
Metabolite identification: are you sure? And how do your peers gauge your confidence?
DJ Creek, WB Dunn, O Fiehn, JL Griffin, RD Hall, Z Lei, R Mistrik, ...
Metabolomics 10, 350-353, 2014
2522014
An ecotoxicological view on neurotoxicity assessment
JB Legradi, C Di Paolo, MHS Kraak, HG Van der Geest, EL Schymanski, ...
Environmental Sciences Europe 30, 1-34, 2018
2432018
Critical assessment of small molecule identification 2016: automated methods
EL Schymanski, C Ruttkies, M Krauss, C Brouard, T Kind, K Dührkop, ...
Journal of cheminformatics 9, 1-21, 2017
2002017
Biotransformation of benzotriazoles: insights from transformation product identification and compound-specific isotope analysis
S Huntscha, TB Hofstetter, EL Schymanski, S Spahr, J Hollender
Environmental science & technology 48 (8), 4435-4443, 2014
1442014
Prioritizing unknown transformation products from biologically-treated wastewater using high-resolution mass spectrometry, multivariate statistics, and metabolic logic
JE Schollée, EL Schymanski, SE Avak, M Loos, J Hollender
Analytical chemistry 87 (24), 12121-12129, 2015
1412015
Systematic exploration of biotransformation reactions of amine-containing micropollutants in activated sludge
R Gulde, U Meier, EL Schymanski, HPE Kohler, DE Helbling, S Derrer, ...
Environmental science & technology 50 (6), 2908-2920, 2016
1392016
Dark matter in host-microbiome metabolomics: Tackling the unknowns–A review
L Peisl, EL Schymanski, P Wilmes
Analytica Chimica Acta 1037, 13-27, 2017
1362017
NORMAN digital sample freezing platform: A European virtual platform to exchange liquid chromatography high resolution-mass spectrometry data and screen suspects in “digitally …
NA Alygizakis, P Oswald, NS Thomaidis, EL Schymanski, R Aalizadeh, ...
TrAC Trends in Analytical Chemistry 115, 129-137, 2019
1332019
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