Emma L Schymanski

Publication Activity (10 Years)

Years Active: 2017-2024
Publications (10 Years): 65

Top Topics

Mass Spectrometry

High Resolution

Gas Chromatography

Top Venues

Environmental science & technology

Journal of cheminformatics

Nature communications

ACS environmental Au

This page only lists publications with an associated author ORCID identifier.

Publications

Amy L Foreman, Benedikt Warth, Ellen V S Hessel, Elliott J Price, Emma L Schymanski, Gaia Cantelli, Helen Parkinson, Helge Hecht, Jana Klánová, Jelle Vlaanderen, Klara Hilscherova, Martine Vrijheid, Paolo Vineis, Rita Araujo, Robert Barouki, Roel C H Vermeulen, Sophie Lanone, Søren Brunak, Sylvain Sebert, Tuomo Karjalainen
Adopting Mechanistic Molecular Biology Approaches in Exposome Research for Causal Understanding. Environmental science & technology 58 (17) (2024)
Amy L Foreman, Benedikt Warth, Ellen V S Hessel, Elliott J Price, Emma L Schymanski, Gaia Cantelli, Helen Parkinson, Helge Hecht, Jana Klánová, Jelle Vlaanderen, Klara Hilscherova, Martine Vrijheid, Paolo Vineis, Rita Araujo, Robert Barouki, Roel C H Vermeulen, Sophie Lanone, Søren Brunak, Sylvain Sebert, Tuomo Karjalainen
Adopting Mechanistic Molecular Biology Approaches in Exposome Research for Causal Understanding. Environmental science & technology 58 (17) (2024)
Daniel Zahn, Hans Peter H Arp, Kathrin Fenner, Anett Georgi, Jasmin Hafner, Sarah E Hale, Juliane Hollender, Thomas Letzel, Emma L Schymanski, Gabriel Sigmund, Thorsten Reemtsma
Should Transformation Products Change the Way We Manage Chemicals? Environmental science & technology (2024)
Begoña Talavera Andújar, Arnaud Mary, Carmen Venegas, Tiejun Cheng, Leonid Zaslavsky, Evan E Bolton, Michael T Heneka, Emma L Schymanski
Can Small Molecules Provide Clues on Disease Progression in Cerebrospinal Fluid from Mild Cognitive Impairment and Alzheimer's Disease Patients? Environmental science & technology 58 (9) (2024)
Daniel Zahn, Hans Peter H Arp, Kathrin Fenner, Anett Georgi, Jasmin Hafner, Sarah E Hale, Juliane Hollender, Thomas Letzel, Emma L Schymanski, Gabriel Sigmund, Thorsten Reemtsma
Should Transformation Products Change the Way We Manage Chemicals? Environmental science & technology 58 (18) (2024)
Parviel Chirsir, Emma H Palm, Sivani Baskaran, Emma L Schymanski, Zhanyun Wang, Raoul Wolf, Sarah E Hale, Hans Peter H Arp
Grouping strategies for assessing and managing persistent and mobile substances. Environmental sciences Europe 36 (1) (2024)
Begoña Talavera Andújar, Arnaud Mary, Carmen Venegas, Tiejun Cheng, Leonid Zaslavsky, Evan E Bolton, Michael T Heneka, Emma L Schymanski
Can Small Molecules Provide Clues on Disease Progression in Cerebrospinal Fluid from Mild Cognitive Impairment and Alzheimer's Disease Patients? Environmental science & technology (2024)
Ursula Heins-Marroquin, Randolph Reyes Singh, Simon Perathoner, Floriane Gavotto, Carla Merino Ruiz, Myrto Patraskaki, Gemma Gomez-Giro, Felix Kleine Borgmann, Melanie Meyer, Anaïs Carpentier, Marc O Warmoes, Christian Jäger, Michel Mittelbronn, Jens Christian Schwamborn, Maria Lorena Cordero-Maldonado, Alexander D Crawford, Emma L Schymanski, Carole L Linster
CLN3 deficiency leads to neurological and metabolic perturbations during early development. Life science alliance 7 (3) (2024)
Ursula Heins-Marroquin, Randolph Reyes Singh, Simon Perathoner, Floriane Gavotto, Carla Merino Ruiz, Myrto Patraskaki, Gemma Gomez-Giro, Felix Kleine Borgmann, Melanie Meyer, Anaïs Carpentier, Marc O Warmoes, Christian Jäger, Michel Mittelbronn, Jens Christian Schwamborn, Maria Lorena Cordero-Maldonado, Alexander D Crawford, Emma L Schymanski, Carole L Linster
CLN3 deficiency leads to neurological and metabolic perturbations during early development. Life science alliance 7 (3) (2024)
Ursula Heins-Marroquin, Randolph Reyes Singh, Simon Perathoner, Floriane Gavotto, Carla Merino Ruiz, Myrto Patraskaki, Gemma Gomez-Giro, Felix Kleine Borgmann, Melanie Meyer, Anaïs Carpentier, Marc O Warmoes, Christian Jäger, Michel Mittelbronn, Jens Christian Schwamborn, Maria Lorena Cordero-Maldonado, Alexander D Crawford, Emma L Schymanski, Carole L Linster
CLN3 deficiency leads to neurological and metabolic perturbations during early development. Life science alliance 7 (3) (2024)
Amy L Foreman, Benedikt Warth, Ellen V S Hessel, Elliott J Price, Emma L Schymanski, Gaia Cantelli, Helen Parkinson, Helge Hecht, Jana Klánová, Jelle Vlaanderen, Klara Hilscherova, Martine Vrijheid, Paolo Vineis, Rita Araujo, Robert Barouki, Roel C H Vermeulen, Sophie Lanone, Søren Brunak, Sylvain Sebert, Tuomo Karjalainen
Adopting Mechanistic Molecular Biology Approaches in Exposome Research for Causal Understanding. Environmental science & technology 58 (17) (2024)
Amy L Foreman, Benedikt Warth, Ellen V S Hessel, Elliott J Price, Emma L Schymanski, Gaia Cantelli, Helen Parkinson, Helge Hecht, Jana Klánová, Jelle Vlaanderen, Klara Hilscherova, Martine Vrijheid, Paolo Vineis, Rita Araujo, Robert Barouki, Roel C H Vermeulen, Sophie Lanone, Søren Brunak, Sylvain Sebert, Tuomo Karjalainen
Adopting Mechanistic Molecular Biology Approaches in Exposome Research for Causal Understanding. Environmental science & technology 58 (17) (2024)
Begoña Talavera Andújar, Arnaud Mary, Carmen Venegas, Tiejun Cheng, Leonid Zaslavsky, Evan E Bolton, Michael T Heneka, Emma L Schymanski
Can Small Molecules Provide Clues on Disease Progression in Cerebrospinal Fluid from Mild Cognitive Impairment and Alzheimer's Disease Patients? Environmental science & technology 58 (9) (2024)
Parviel Chirsir, Emma H Palm, Sivani Baskaran, Emma L Schymanski, Zhanyun Wang, Raoul Wolf, Sarah E Hale, Hans Peter H Arp
Grouping strategies for assessing and managing persistent and mobile substances. Environmental sciences Europe 36 (1) (2024)
Daniel Zahn, Hans Peter H Arp, Kathrin Fenner, Anett Georgi, Jasmin Hafner, Sarah E Hale, Juliane Hollender, Thomas Letzel, Emma L Schymanski, Gabriel Sigmund, Thorsten Reemtsma
Should Transformation Products Change the Way We Manage Chemicals? Environmental science & technology 58 (18) (2024)
Daniel Zahn, Hans Peter H Arp, Kathrin Fenner, Anett Georgi, Jasmin Hafner, Sarah E Hale, Juliane Hollender, Thomas Letzel, Emma L Schymanski, Gabriel Sigmund, Thorsten Reemtsma
Should Transformation Products Change the Way We Manage Chemicals? Environmental science & technology 58 (18) (2024)
Daniel Zahn, Hans Peter H Arp, Kathrin Fenner, Anett Georgi, Jasmin Hafner, Sarah E Hale, Juliane Hollender, Thomas Letzel, Emma L Schymanski, Gabriel Sigmund, Thorsten Reemtsma
Should Transformation Products Change the Way We Manage Chemicals? Environmental science & technology 58 (18) (2024)
Amy L Foreman, Benedikt Warth, Ellen V S Hessel, Elliott J Price, Emma L Schymanski, Gaia Cantelli, Helen Parkinson, Helge Hecht, Jana Klánová, Jelle Vlaanderen, Klara Hilscherova, Martine Vrijheid, Paolo Vineis, Rita Araujo, Robert Barouki, Roel C H Vermeulen, Sophie Lanone, Søren Brunak, Sylvain Sebert, Tuomo Karjalainen
Adopting Mechanistic Molecular Biology Approaches in Exposome Research for Causal Understanding. Environmental science & technology 58 (17) (2024)
Amy L Foreman, Benedikt Warth, Ellen V S Hessel, Elliott J Price, Emma L Schymanski, Gaia Cantelli, Helen Parkinson, Helge Hecht, Jana Klánová, Jelle Vlaanderen, Klara Hilscherova, Martine Vrijheid, Paolo Vineis, Rita Araujo, Robert Barouki, Roel C H Vermeulen, Sophie Lanone, Søren Brunak, Sylvain Sebert, Tuomo Karjalainen
Adopting Mechanistic Molecular Biology Approaches in Exposome Research for Causal Understanding. Environmental science & technology (2024)
Begoña Talavera Andújar, Arnaud Mary, Carmen Venegas, Tiejun Cheng, Leonid Zaslavsky, Evan E Bolton, Michael T Heneka, Emma L Schymanski
Can Small Molecules Provide Clues on Disease Progression in Cerebrospinal Fluid from Mild Cognitive Impairment and Alzheimer's Disease Patients? Environmental science & technology 58 (9) (2024)
Begoña Talavera Andújar, Arnaud Mary, Carmen Venegas, Tiejun Cheng, Leonid Zaslavsky, Evan E Bolton, Michael T Heneka, Emma L Schymanski
Can Small Molecules Provide Clues on Disease Progression in Cerebrospinal Fluid from Mild Cognitive Impairment and Alzheimer's Disease Patients? Environmental science & technology 58 (9) (2024)
Ursula Heins-Marroquin, Randolph Reyes Singh, Simon Perathoner, Floriane Gavotto, Carla Merino Ruiz, Myrto Patraskaki, Gemma Gomez-Giro, Felix Kleine Borgmann, Melanie Meyer, Anaïs Carpentier, Marc O Warmoes, Christian Jäger, Michel Mittelbronn, Jens Christian Schwamborn, Maria Lorena Cordero-Maldonado, Alexander D Crawford, Emma L Schymanski, Carole L Linster
CLN3 deficiency leads to neurological and metabolic perturbations during early development. Life science alliance 7 (3) (2024)
Lorenzo Favilli, Corey M Griffith, Emma L Schymanski, Carole L Linster
High-throughput Saccharomyces cerevisiae cultivation method for credentialing-based untargeted metabolomics. Analytical and bioanalytical chemistry (2023)
Anjana Elapavalore, Todor Kondić, Randolph Reyes Singh, Benjamin A Shoemaker, Paul A Thiessen, Jian Zhang, Evan E Bolton, Emma L Schymanski
Adding open spectral data to MassBank and PubChem using open source tools to support non-targeted exposomics of mixtures. Environmental science. Processes & impacts (2023)
Wout Bittremieux, Nicole E Avalon, Sydney P Thomas, Sarvar A Kakhkhorov, Alexander A Aksenov, Paulo Wender Portal Gomes, Christine M Aceves, Andrés Mauricio Caraballo-Rodríguez, Julia M Gauglitz, William H Gerwick, Tao Huan, Alan K Jarmusch, Rima F Kaddurah-Daouk, Kyo-Bin Kang, Hyun Woo Kim, Todor Kondić, Helena M Russo, Michael J Meehan, Alexey V Melnik, Louis-Felix Nothias, Claire O'Donovan, Morgan Panitchpakdi, Daniel Petras, Robin Schmid, Emma L Schymanski, Justin Johan Jozias van der Hooft, Kelly C Weldon, Heejung Yang, Shipei Xing, Jasmine Zemlin, Mingxun Wang, Pieter C Dorrestein
Open access repository-scale propagated nearest neighbor suspect spectral library for untargeted metabolomics. Nature communications 14 (1) (2023)
Wout Bittremieux, Nicole E Avalon, Sydney P Thomas, Sarvar A Kakhkhorov, Alexander A Aksenov, Paulo Wender Portal Gomes, Christine M Aceves, Andrés Mauricio Caraballo-Rodríguez, Julia M Gauglitz, William H Gerwick, Tao Huan, Alan K Jarmusch, Rima F Kaddurah-Daouk, Kyo-Bin Kang, Hyun Woo Kim, Todor Kondić, Helena M Russo, Michael J Meehan, Alexey V Melnik, Louis-Felix Nothias, Claire O'Donovan, Morgan Panitchpakdi, Daniel Petras, Robin Schmid, Emma L Schymanski, Justin Johan Jozias van der Hooft, Kelly C Weldon, Heejung Yang, Shipei Xing, Jasmine Zemlin, Mingxun Wang, Pieter C Dorrestein
Open access repository-scale propagated nearest neighbor suspect spectral library for untargeted metabolomics. Nature communications 14 (1) (2023)
Wout Bittremieux, Nicole E Avalon, Sydney P Thomas, Sarvar A Kakhkhorov, Alexander A Aksenov, Paulo Wender Portal Gomes, Christine M Aceves, Andrés Mauricio Caraballo-Rodríguez, Julia M Gauglitz, William H Gerwick, Tao Huan, Alan K Jarmusch, Rima F Kaddurah-Daouk, Kyo-Bin Kang, Hyun Woo Kim, Todor Kondić, Helena M Russo, Michael J Meehan, Alexey V Melnik, Louis-Felix Nothias, Claire O'Donovan, Morgan Panitchpakdi, Daniel Petras, Robin Schmid, Emma L Schymanski, Justin Johan Jozias van der Hooft, Kelly C Weldon, Heejung Yang, Shipei Xing, Jasmine Zemlin, Mingxun Wang, Pieter C Dorrestein
Open access repository-scale propagated nearest neighbor suspect spectral library for untargeted metabolomics. Nature communications 14 (1) (2023)
Wout Bittremieux, Nicole E Avalon, Sydney P Thomas, Sarvar A Kakhkhorov, Alexander A Aksenov, Paulo Wender Portal Gomes, Christine M Aceves, Andrés Mauricio Caraballo-Rodríguez, Julia M Gauglitz, William H Gerwick, Tao Huan, Alan K Jarmusch, Rima F Kaddurah-Daouk, Kyo-Bin Kang, Hyun Woo Kim, Todor Kondić, Helena M Russo, Michael J Meehan, Alexey V Melnik, Louis-Felix Nothias, Claire O'Donovan, Morgan Panitchpakdi, Daniel Petras, Robin Schmid, Emma L Schymanski, Justin Johan Jozias van der Hooft, Kelly C Weldon, Heejung Yang, Shipei Xing, Jasmine Zemlin, Mingxun Wang, Pieter C Dorrestein
Open access repository-scale propagated nearest neighbor suspect spectral library for untargeted metabolomics. Nature communications 14 (1) (2023)
Marvin Martens, Rob Stierum, Emma L Schymanski, Chris T A Evelo, Reza Aalizadeh, Hristo Aladjov, Katarzyna Arturi, Karine Audouze, Pavel Babica, Karel Berka, Jos Bessems, Ludek Blaha, Evan E Bolton, Montserrat Cases, Dimitrios E Damalas, Kirtan Dave, Marco Dilger, Thomas Exner, Daan P Geerke, Roland Grafström, Alasdair Gray, John M Hancock, Henner Hollert, Nina Jeliazkova, Danyel G J Jennen, Fabien Jourdan, Pascal Kahlem, Jana Klanova, Jos Kleinjans, Todor Kondic, Boï Kone, Iseult Lynch, Uko Maran, Sergio Martinez Cuesta, Hervé Ménager, Steffen Neumann, Penny Nymark, Herbert Oberacher, Noelia Ramirez, Sylvie Remy, Philippe Rocca-Serra, Reza M Salek, Brett Sallach, Susanna-Assunta Sansone, Ferran Sanz, Haralambos Sarimveis, Sirarat Sarntivijai, Tobias Schulze, Jaroslav Slobodnik, Ola Spjuth, Jonathan Tedds, Nikolaos Thomaidis, Ralf J M Weber, Gerard van Westen, Craig E Wheelock, Antony J Williams, Hilda Witters, Barbara Zdrazil, Anze Zupanic, Egon L Wilighagen
ELIXIR and Toxicology: a community in development. F1000Research 10 (2023)
Hans Peter H Arp, Dagny Aurich, Emma L Schymanski, Kerry Sims, Sarah E Hale
Avoiding the Next Silent Spring: Our Chemical Past, Present, and Future. Environmental science & technology (2023)
Emma H Palm, Parviel Chirsir, Jessy Krier, Paul A Thiessen, Jian Zhang, Evan E Bolton, Emma L Schymanski
ShinyTPs: Curating Transformation Products from Text Mining Results. Environmental science & technology letters 10 (10) (2023)
Wout Bittremieux, Nicole E Avalon, Sydney P Thomas, Sarvar A Kakhkhorov, Alexander A Aksenov, Paulo Wender Portal Gomes, Christine M Aceves, Andrés Mauricio Caraballo-Rodríguez, Julia M Gauglitz, William H Gerwick, Tao Huan, Alan K Jarmusch, Rima F Kaddurah-Daouk, Kyo-Bin Kang, Hyun Woo Kim, Todor Kondić, Helena M Russo, Michael J Meehan, Alexey V Melnik, Louis-Felix Nothias, Claire O'Donovan, Morgan Panitchpakdi, Daniel Petras, Robin Schmid, Emma L Schymanski, Justin Johan Jozias van der Hooft, Kelly C Weldon, Heejung Yang, Shipei Xing, Jasmine Zemlin, Mingxun Wang, Pieter C Dorrestein
Open access repository-scale propagated nearest neighbor suspect spectral library for untargeted metabolomics. Nature communications 14 (1) (2023)
Emma L Schymanski, Jian Zhang, Paul A Thiessen, Parviel Chirsir, Todor Kondic, Evan E Bolton
Per- and Polyfluoroalkyl Substances (PFAS) in PubChem: 7 Million and Growing. Environmental science & technology (2023)
Adelene Lai, Alex M Clark, Beate I Escher, Marc Fernandez, Leah R McEwen, Zhenyu Tian, Zhanyun Wang, Emma L Schymanski
The Next Frontier of Environmental Unknowns: Substances of Unknown or Variable Composition, Complex Reaction Products, or Biological Materials (UVCBs). Environmental science & technology 56 (12) (2022)
Hiba Mohammed Taha, Reza Aalizadeh, Nikiforos A Alygizakis, Jean-Philippe Antignac, Hans Peter H Arp, Richard Bade, Nancy C Baker, Lidia Belova, Lubertus Bijlsma, Evan E Bolton, Werner Brack, Alberto Celma, Wen-Ling Chen, Tiejun Cheng, Parviel Chirsir, Ľuboš Čirka, Lisa A D'Agostino, Yannick Djoumbou Feunang, Valeria Dulio, Stellan Fischer, Pablo Gago-Ferrero, Aikaterini Galani, Birgit Geueke, Natalia Głowacka, Juliane Glüge, Ksenia J Groh, Sylvia Grosse, Peter Haglund, Pertti J Hakkinen, Sarah E Hale, Félix Hernandez, Elisabeth M L Janssen, Tim J H Jonkers, Karin Kiefer, Michal Kirchner, Jan Koschorreck, Martin Krauss, Jessy Krier, Marja H Lamoree, Marion Letzel, Thomas Letzel, Qingliang Li, James Little, Yanna Liu, David M Lunderberg, Jonathan W Martin, Andrew D McEachran, John A McLean, Christiane Meier, Jeroen Meijer, Frank Menger, Carla Merino, Jane Muncke, Matthias Muschket, Michael Neumann, Vanessa Neveu, Kelsey Ng, Herbert Oberacher, Jake William O'Brien, Peter Oswald, Martina Oswaldova, Jaqueline A Picache, Cristina Postigo, Noelia Ramírez, Thorsten Reemtsma, Justin B Renaud, Pawel Rostkowski, Heinz Rüdel, Reza M Salek, Saer Samanipour, Martin Scheringer, Ivo Schliebner, Wolfgang Schulz, Tobias Schulze, Manfred Sengl, Benjamin A Shoemaker, Kerry Sims, Heinz P Singer, Randolph Reyes Singh, Mark W Sumarah, Paul A Thiessen, Kevin V Thomas, Sònia Torres, Xenia Trier, Annemarie P van Wezel, Roel C H Vermeulen, Jelle J Vlaanderen, Peter Carsten von der Ohe, Zhanyun Wang, Antony J Williams, Egon L Wilighagen, David Scott Wishart, Jian Zhang, Νikolaos S Τhomaidis, Juliane Hollender, Jaroslav Slobodnik, Emma L Schymanski
The NORMAN Suspect List Exchange (NORMAN-SLE): facilitating European and worldwide collaboration on suspect screening in high resolution mass spectrometry. Environmental sciences Europe 34 (1) (2022)
Adelene Lai, Jonas Schaub, Christoph Steinbeck, Emma L Schymanski
An algorithm to classify homologous series within compound datasets. Journal of cheminformatics 14 (1) (2022)
Adelene Lai, Jonas Schaub, Christoph Steinbeck, Emma L Schymanski
An algorithm to classify homologous series within compound datasets. Journal of cheminformatics 14 (1) (2022)
Norberto Sánchez-Cruz, Emma L Schymanski
Paths to Cheminformatics: Q&A with Norberto Sánchez-Cruz and Emma Schymanski. Journal of cheminformatics 14 (1) (2022)
Adelene Lai, Jonas Schaub, Christoph Steinbeck, Emma L Schymanski
An algorithm to classify homologous series within compound datasets. Journal of cheminformatics 14 (1) (2022)
Begoña Talavera Andújar, Dagny Aurich, Velma T E Aho, Randolph Reyes Singh, Tiejun Cheng, Leonid Zaslavsky, Evan E Bolton, Brit Mollenhauer, Paul Wilmes, Emma L Schymanski
Studying the Parkinson's disease metabolome and exposome in biological samples through different analytical and cheminformatics approaches: a pilot study. Analytical and bioanalytical chemistry 414 (25) (2022)
Emma L Schymanski
Global Challenges: Opening up Chemistry, Pandemics, and Air Pollution. ACS environmental Au 2 (4) (2022)
Emma L Schymanski
Global Challenges: Opening up Chemistry, Pandemics, and Air Pollution. ACS environmental Au 2 (4) (2022)
Gianfranco Frigerio, Camilla Moruzzi, Rosa Mercadante, Emma L Schymanski, Silvia Fustinoni
Development and Application of an LC-MS/MS Untargeted Exposomics Method with a Separated Pooled Quality Control Strategy. Molecules (Basel, Switzerland) 27 (8) (2022)
Joseph A Charbonnet, Carrie A McDonough, Feng Xiao, Trever Schwichtenberg, Dunping Cao, Sarit Leat Kaserzon, Kevin V Thomas, Pradeep Dewapriya, Benjamin J Place, Emma L Schymanski, Jennifer A Field, Damian E Helbling, Christopher P Higgins
Communicating Confidence of Per- and Polyfluoroalkyl Substance Identification via High-Resolution Mass Spectrometry. Environmental science & technology letters 9 (6) (2022)
Reza Aalizadeh, Nikiforos A Alygizakis, Emma L Schymanski, Martin Krauss, Tobias Schulze, Maria Ibañez, Andrew D McEachran, Alex Chao, Antony J Williams, Pablo Gago-Ferrero, Adrian Covaci, Christoph Moschet, Thomas M Young, Juliane Hollender, Jaroslav Slobodnik, Νikolaos S Τhomaidis
Development and Application of Liquid Chromatographic Retention Time Indices in HRMS-Based Suspect and Nontarget Screening. Analytical chemistry 93 (33) (2021)
Emma L Schymanski, Todor Kondić, Steffen Neumann, Paul A Thiessen, Jian Zhang, Evan E Bolton
Empowering large chemical knowledge bases for exposomics: PubChemLite meets MetFrag. Journal of cheminformatics 13 (1) (2021)
Randolph Reyes Singh, Adelene Lai, Jessy Krier, Todor Kondić, Philippe Diderich, Emma L Schymanski
Occurrence and Distribution of Pharmaceuticals and Their Transformation Products in Luxembourgish Surface Waters. ACS environmental Au 1 (1) (2021)
Emma L Schymanski, Evan E Bolton
FAIR chemical structures in the Journal of Cheminformatics. Journal of cheminformatics 13 (1) (2021)
Rick Helmus, Thomas L Ter Laak, Annemarie P van Wezel, Pim De Voogt, Emma L Schymanski
patRoon: open source software platform for environmental mass spectrometry based non-target screening. Journal of cheminformatics 13 (1) (2021)
Randolph Reyes Singh, Adelene Lai, Jessy Krier, Todor Kondić, Philippe Diderich, Emma L Schymanski
Occurrence and Distribution of Pharmaceuticals and Their Transformation Products in Luxembourgish Surface Waters. ACS environmental Au 1 (1) (2021)
Roel C H Vermeulen, Emma L Schymanski, Albert-László Barabási, Gary W Miller
The exposome and health: Where chemistry meets biology. Science (New York, N.Y.) 367 (6476) (2020)
Beate I Escher, Heather M Stapleton, Emma L Schymanski
Tracking complex mixtures of chemicals in our changing environment. Science (New York, N.Y.) 367 (6476) (2020)
Marcus Ludwig, Corey D Broeckling, Pieter C Dorrestein, Kai Dührkop, Emma L Schymanski, Sebastian Böcker, Louis-Felix Nothias
Studying Charge Migration Fragmentation of Sodiated Precursor Ions in Collision-Induced Dissociation at the Library Scale. Journal of the American Society for Mass Spectrometry 32 (1) (2020)
Alberto Celma, Juan V Sancho, Emma L Schymanski, David Fabregat-Safont, Maria Ibañez, Jeff Goshawk, Gitte Barknowitz, Félix Hernandez, Lubertus Bijlsma
Improving Target and Suspect Screening High-Resolution Mass Spectrometry Workflows in Environmental Analysis by Ion Mobility Separation. Environmental science & technology 54 (23) (2020)
Gert Wohlgemuth, Sajjan S Mehta, Ramon F Mejia, Steffen Neumann, Diego Pedrosa, Tomáš Pluskal, Emma L Schymanski, Egon L Wilighagen, Michael Wilson, David S Wishart, Masanori Arita, Pieter C Dorrestein, Nuno Bandeira, Mingxun Wang, Tobias Schulze, Reza M Salek, Christoph Steinbeck, Venkata Chandrasekhar Nainala, Robert Mistrik, Takaaki Nishioka, Oliver Fiehn
SPLASH, a hashed identifier for mass spectra. Nature biotechnology 34 (11) (2019)
Jan Stanstrup, Corey D Broeckling, Rick Helmus, Nils Hoffmann, Ewy A Math, Thomas Naake, Luca Nicolotti, Kristian Peters, Johannes Rainer, Reza M Salek, Tobias Schulze, Emma L Schymanski, Michael A Stravs, Etienne A Thévenot, Hendrik Treutler, Ralf J M Weber, Egon L Wilighagen, Michael Witting, Steffen Neumann
The metaRbolomics Toolbox in Bioconductor and beyond. Metabolites 9 (10) (2019)
Vittorio Albergamo, Jennifer E Schollée, Emma L Schymanski, Rick Helmus, Harrie Timmer, Juliane Hollender, Pim De Voogt
Nontarget Screening Reveals Time Trends of Polar Micropollutants in a Riverbank Filtration System. Environmental science & technology 53 (13) (2019)
Bo Sha, Emma L Schymanski, Christoph Ruttkies, Ian T Cousins, Zhanyun Wang
Exploring open cheminformatics approaches for categorizing per- and polyfluoroalkyl substances (PFASs). Environmental science. Processes & impacts 21 (11) (2019)
Christoph Ruttkies, Emma L Schymanski, Nadine Strehmel, Juliane Hollender, Steffen Neumann, Antony J Williams, Martin Krauss
Supporting non-target identification by adding hydrogen deuterium exchange MS/MS capabilities to MetFrag. Analytical and bioanalytical chemistry 411 (19) (2019)
Eric W Deutsch, Yasset Perez Riverol, Robert J Chalkley, Mathias Wilhelm, Stephen Tate, Timo Sachsenberg, Mathias Walzer, Lukas Käll, Bernard Delanghe, Sebastian Böcker, Emma L Schymanski, Paul Wilmes, Viktoria Dorfer, Bernhard Kuster, Pieter-Jan Volders, Nico Jehmlich, Johannes P C Vissers, Dennis W Wolan, Ana Y Wang, Luis Mendoza, Jim Shofstahl, Andrew W Dowsey, Johannes Griss, Reza M Salek, Steffen Neumann, Pierre-Alain Binz, Henry H N Lam, Juan Antonio Vizcaino, Nuno Bandeira, Hannes L Röst
Expanding the Use of Spectral Libraries in Proteomics. Journal of proteome research 17 (12) (2018)
Nikiforos A Alygizakis, Saer Samanipour, Juliane Hollender, María Ibáñez, Sarit Kaserzon, Varvara Kokkali, Jan A van Leerdam, Jochen F Mueller, Martijn Pijnappels, Malcolm J Reid, Emma L Schymanski, Jaroslav Slobodnik, Νikolaos S Τhomaidis, Kevin V Thomas
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 & technology 52 (9) (2018)
Herbert Oberacher, Vera Reinstadler, Marco Kreidl, Michael A Stravs, Juliane Hollender, Emma L Schymanski
Annotating Nontargeted LC-HRMS/MS Data with Two Complementary Tandem Mass Spectral Libraries. Metabolites 9 (1) (2018)
Emma L Schymanski, Antony J Williams
Open Science for Identifying "Known Unknown" Chemicals. Environmental science & technology 51 (10) (2017)
Juliane Hollender, Emma L Schymanski, Heinz P Singer, P Lee Ferguson
Nontarget Screening with High Resolution Mass Spectrometry in the Environment: Ready to Go? Environmental science & technology 51 (20) (2017)
Emma L Schymanski, Christoph Ruttkies, Martin Krauss, Céline Brouard, Tobias Kind, Kai Dührkop, Felicity Allen, Arpana Vaniya, Dries Verdegem, Sebastian Böcker, Juho Rousu, Huibin Shen, Hiroshi Tsugawa, Tanvir Sajed, Oliver Fiehn, Bart Ghesquière, Steffen Neumann
Critical Assessment of Small Molecule Identification 2016: automated methods. Journal of cheminformatics 9 (1) (2017)