Emma Schymanski - Dissemin

Papers authored by Emma Schymanski

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2014 Sebastian Huntscha, Thomas B. Hofstetter

, Emma L. Schymanski

Biotransformation of Benzotriazoles: Insights from Transformation Product Identification and Compound-Specific Isotope Analysis

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Emma L. Schymanski

, Junho Jeon, Rebekka Gulde, Kathrin Fenner, Matthias Ruff, Heinz P. Singer, Juliane Hollender

Identifying Small Molecules via High Resolution Mass Spectrometry: Communicating Confidence

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Emma L. Schymanski

, Heinz P. Singer, Philipp Longrée, Martin Loos, Matthias Ruff, Michael A. Stravs, Cristina Ripollés Vidal, Juliane Hollender

Strategies to Characterize Polar Organic Contamination in Wastewater: Exploring the Capability of High Resolution Mass Spectrometry

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Emma L. Schymanski

, Michael Gerlich, Christoph Ruttkies, Steffen Neumann

Solving CASMI 2013 with MetFrag, MetFusion and MOLGEN-MS/MS

Download from www.jstage.jst.go.jp

2013 Adalbert Kerber, Reinhard Laue, Markus Meringer, Christoph Rücker, Emma Schymanski

Mathematical Chemistry and Chemoinformatics. Structure Generation, Elucidation and Quantitative Structure-Property Relationships.

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Christine M. J. Gallampois, Emma L. Schymanski

, Mahmoud Bataineh, Sebastian Buchinger, Martin Krauss, Georg Reifferscheid, Werner Brack

Integrated biological–chemical approach for the isolation and selection of polyaromatic mutagens in surface waters

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Emma Schymanski

, Steffen Neumann

The Critical Assessment of Small Molecule Identification (CASMI): Challenges and Solutions

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Markus Meringer, Emma L. Schymanski

Small Molecule Identification with MOLGEN and Mass Spectrometry

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Emma Louise Schymanski

, Steffen Neumann

CASMI: and the winner is…

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2012 Emma L. Schymanski

, Christine M. J. Gallampois, Martin Krauss, Markus Meringer, Steffen Neumann, Tobias Schulze, Sebastian Wolf, Werner Brack

Consensus Structure Elucidation Combining GC/EI-MS, Structure Generation, and Calculated Properties.

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2011 El Schymanski

, Markus Meringer, Werner Brack

Automated strategies to identify compounds on the basis of GC/EI-MS and calculated properties.

Download from mediatum.ub.tum.de

Emma Schymanski

, Tobias Schulze, Jos Hermans, Werner Brack

Computer Tools for Structure Elucidation in Effect-Directed Analysis

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2010 Tobias Schulze, Sara Weiss, Emma Schymanski

, Peter Carsten von der Ohe, Mechthild Schmitt-Jansen, Rolf Altenburger, Georg Streck, Werner Brack

Identification of a phytotoxic photo-transformation product of diclofenac using effect-directed analysis

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Cornelia Meinert, Emma Schymanski

, Eberhard Küster, Ralph Kühne, Gerrit Schüürmann, Werner Brack

Application of preparative capillary gas chromatography (pcGC), automated structure generation and mutagenicity prediction to improve effect-directed analysis of genotoxicants in a contaminated groundwater

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2009 Emma L. Schymanski

, Markus Meringer, Werner Brack

Matching Structures to Mass Spectra Using Fragmentation Patterns: Are the Results As Good As They Look?

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E. L. Schymanski

, M. Bataineh, K.-U. Goss, W. Brack

Integrated analytical and computer tools for structure elucidation in effect-directed analysis

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2008 Emma L. Schymanski

, Cornelia Meinert, Markus Meringer, Werner Brack

The use of MS classifiers and structure generation to assist in the identification of unknowns in effect-directed analysis

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Werner Brack, Mechthild Schmitt-Jansen, Miroslav Machala, Rikke Brix, Damià Barceló, Emma Schymanski

, Georg Streck, Tobias Schulze

How to confirm identified toxicants in effect-directed analysis

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Papers authored by Emma Schymanski