Emma Schymanski
Emma Schymanski
PI, Environmental Cheminformatics, LCSB, Uni Luxembourg
Bestätigte E-Mail-Adresse bei uni.lu - Startseite
TitelZitiert vonJahr
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
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
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
MetFrag relaunched: incorporating strategies beyond in silico fragmentation
C Ruttkies, EL Schymanski, S Wolf, J Hollender, S Neumann
Journal of cheminformatics 8 (1), 3, 2016
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
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
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
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
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
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
Thallium (I) complexes with modified poly (pyrazolyl) borate ligands—metal-ligand coordination and crystal packing
E Craven, E Mutlu, D Lundberg, S Temizdemir, S Dechert, H Brombacher, ...
Polyhedron 21 (5-6), 553-562, 2002
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
The use of MS classifiers and structure generation to assist in the identification of unknowns in effect-directed analysis
EL Schymanski, C Meinert, M Meringer, W Brack
Analytica chimica acta 615 (2), 136-147, 2008
Synthesis, Structure and Solution Chemistry of (5, 5′‐Dimethyl‐2, 2′‐bipyridine)(IDA) copper (II) and Structural Comparison With Aqua (IDA)(1, 10‐phenanthroline) copper (II …
E Craven, C Zhang, C Janiak, G Rheinwald, H Lang
Zeitschrift für anorganische und allgemeine Chemie 629 (12‐13), 2282-2290, 2003
Matching structures to mass spectra using fragmentation patterns: are the results as good as they look?
EL Schymanski, M Meringer, W Brack
Analytical chemistry 81 (9), 3608-3617, 2009
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
Consensus structure elucidation combining GC/EI-MS, structure generation, and calculated properties
EL Schymanski, CMJ Gallampois, M Krauss, M Meringer, S Neumann, ...
Analytical chemistry 84 (7), 3287-3295, 2012
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
Integrated analytical and computer tools for structure elucidation in effect-directed analysis
EL Schymanski, M Bataineh, KU Goss, W Brack
TrAC Trends in Analytical Chemistry 28 (5), 550-561, 2009
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
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