Emma Schymanski
Emma Schymanski
Assoc. Prof & PI, Environmental Cheminformatics, LCSB, Uni Luxembourg
Bestätigte E-Mail-Adresse bei uni.lu - Startseite
Titel
Zitiert von
Zitiert von
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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
11212014
MetFrag relaunched: incorporating strategies beyond in silico fragmentation
C Ruttkies, EL Schymanski, S Wolf, J Hollender, S Neumann
Journal of cheminformatics 8 (1), 1-16, 2016
4432016
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 (21), 6237-6255, 2015
3552015
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
3022016
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
2952014
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
2542017
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
2492016
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
2332015
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
2022015
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 (3), 350-353, 2014
1832014
The exposome and health: Where chemistry meets biology
R Vermeulen, EL Schymanski, AL Barabási, GW Miller
Science 367 (6476), 392-396, 2020
1272020
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), 1-21, 2017
1092017
How to confirm identified toxicants in effect-directed analysis
W Brack, M Schmitt-Jansen, M Machala, R Brix, D Barceló, E Schymanski, ...
Analytical and bioanalytical chemistry 390 (8), 1959-1973, 2008
1082008
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
972014
Tracking complex mixtures of chemicals in our changing environment
BI Escher, HM Stapleton, EL Schymanski
Science 367 (6476), 388-392, 2020
892020
Suspect and nontarget screening approaches to identify organic contaminant records in lake sediments
AC Chiaia-Hernandez, EL Schymanski, P Kumar, HP Singer, J Hollender
Analytical and bioanalytical chemistry 406 (28), 7323-7335, 2014
892014
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
862019
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
852015
Automatic recalibration and processing of tandem mass spectra using formula annotation
MA Stravs, EL Schymanski, HP Singer, J Hollender
Journal of Mass Spectrometry 48 (1), 89-99, 2013
852013
Identification of a phytotoxic photo-transformation product of diclofenac using effect-directed analysis
T Schulze, S Weiss, E Schymanski, PC von der Ohe, M Schmitt-Jansen, ...
Environmental Pollution 158 (5), 1461-1466, 2010
832010
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