Publications by authors named "Steffen Neumann"

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Empowering large chemical knowledge bases for exposomics: PubChemLite meets MetFrag.
Emma L Schymanski, Todor Kondić, Steffen Neumann, Paul A Thiessen, Jian Zhang, Evan E Bolton

J Cheminform· March 2021

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in Peak Form: Now Anchoring a Complete Metabolomics Data Preprocessing and Analysis Software Ecosystem.
Philippine Louail, Carl Brunius, Mar Garcia-Aloy, William Kumler, Norman Storz, Steffen Neumann

Anal Chem· December 2025

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mzPeak: Designing a Scalable, Interoperable, and Future-Ready Mass Spectrometry Data Format.
Tim Van Den Bossche, Theodore Alexandrov, Aivett Bilbao, Wout Bittremieux, Federico Ivan Brigante, Steffen Neumann

J Proteome Res· November 2025

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MassBank: an open and FAIR mass spectral data resource.
Steffen Neumann, René Meier, Michael Wenk, Anjana Elapavalore, Takaaki Nishioka

Nucleic Acids Res· November 2025

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Linking Research Data with Physically Preserved Research Materials in Chemistry.
Chia-Lin Lin, Pei-Chi Huang, Simone Gräßle, Christoph Grathwol, Pierre Tremouilhac, Steffen Neumann

Sci Data· January 2025

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The Proteomics Standards Initiative Standardized Formats for Spectral Libraries and Fragment Ion Peak Annotations: mzSpecLib and mzPAF.
Joshua Klein, Henry Lam, Tytus D Mak, Wout Bittremieux, Yasset Perez-Riverol, Steffen Neumann

Anal Chem· November 2024

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Ontologies for increasing the FAIRness of plant research data.
Kathryn Dumschott, Hannah Dörpholz, Marie-Angélique Laporte, Dominik Brilhaus, Andrea Schrader, Steffen Neumann

Front Plant Sci· November 2023

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ELIXIR and Toxicology: a community in development.
Marvin Martens, Rob Stierum, Emma L Schymanski, Chris T Evelo, Reza Aalizadeh, Steffen Neumann

F1000Res· October 2023

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Leaf metabolic traits reveal hidden dimensions of plant form and function.
Tom W N Walker, Franziska Schrodt, Pierre-Marie Allard, Emmanuel Defossez, Vincent E J Jassey, Steffen Neumann

Sci Adv· September 2023

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Impact of in vitro phytohormone treatments on the metabolome of the leafy liverwort Radula complanata (L.) Dumort.
Kaitlyn Blatt-Janmaat, Steffen Neumann, Florian Schmidt, Jörg Ziegler, Yang Qu

Metabolomics· March 2023

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Proteomics Standards Initiative at Twenty Years: Current Activities and Future Work.
Eric W Deutsch, Juan Antonio Vizcaíno, Andrew R Jones, Pierre-Alain Binz, Henry Lam, Steffen Neumann

J Proteome Res· February 2023

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Untargeted Metabolomics for Integrative Taxonomy: Metabolomics, DNA Marker-Based Sequencing, and Phenotype Bioimaging.
Kristian Peters, Kaitlyn L Blatt-Janmaat, Natalia Tkach, Nicole M van Dam, Steffen Neumann

Plants (Basel)· February 2023

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Host Tree and Geography Induce Metabolic Shifts in the Epiphytic Liverwort .
Kaitlyn L Blatt-Janmaat, Steffen Neumann, Jörg Ziegler, Kristian Peters

Plants (Basel)· January 2023

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Minimum Information Standards in Chemistry: A Call for Better Research Data Management Practices.
Sonja Herres-Pawlis, Felix Bach, Ian J Bruno, Stuart J Chalk, Nicole Jung, Steffen Neumann

Angew Chem Int Ed Engl· December 2022

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The community ecology perspective of omics data.
Stephanie D Jurburg, François Buscot, Antonis Chatzinotas, Narendrakumar M Chaudhari, Adam T Clark, Steffen Neumann

Microbiome· December 2022

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Networks and Graphs Discovery in Metabolomics Data Analysis and Interpretation.
Adam Amara, Clément Frainay, Fabien Jourdan, Thomas Naake, Steffen Neumann

Front Mol Biosci· March 2022

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A Modular and Expandable Ecosystem for Metabolomics Data Annotation in R.
Johannes Rainer, Andrea Vicini, Liesa Salzer, Jan Stanstrup, Josep M Badia, Steffen Neumann

Metabolites· February 2022

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Metabolic drift in the aging nervous system is reflected in human cerebrospinal fluid.
Kristian Peters, Stephanie Herman, Payam Emami Khoonsari, Joachim Burman, Steffen Neumann

Sci Rep· September 2021

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Mass spectrometry-based metabolomics: a guide for annotation, quantification and best reporting practices.
Saleh Alseekh, Asaph Aharoni, Yariv Brotman, Kévin Contrepois, John D'Auria, Steffen Neumann

Nat Methods· July 2021

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Modulation of Phosphate Deficiency-Induced Metabolic Changes by Iron Availability in .
Ranju Chutia, Sarah Scharfenberg, Steffen Neumann, Steffen Abel, Jörg Ziegler

Int J Mol Sci· July 2021

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Untargeted In Silico Compound Classification-A Novel Metabolomics Method to Assess the Chemodiversity in Bryophytes.
Kristian Peters, Gerd Balcke, Niklas Kleinenkuhnen, Hendrik Treutler, Steffen Neumann

Int J Mol Sci· March 2021

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LC-MS based plant metabolic profiles of thirteen grassland species grown in diverse neighbourhoods.
Sue Marr, Jos A Hageman, Ron Wehrens, Nicole M van Dam, Helge Bruelheide, Steffen Neumann

Sci Data· February 2021

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Reshaping of the Arabidopsis thaliana Proteome Landscape and Co-regulation of Proteins in Development and Immunity.
Mona Bassal, Mohammad Abukhalaf, Petra Majovsky, Domenika Thieme, Tobias Herr, Steffen Neumann

Mol Plant· December 2020

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Feature-based molecular networking in the GNPS analysis environment.
Louis-Félix Nothias, Daniel Petras, Robin Schmid, Kai Dührkop, Johannes Rainer, Steffen Neumann

Nat Methods· September 2020

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Chemical Diversity and Classification of Secondary Metabolites in Nine Bryophyte Species.
Kristian Peters, Hendrik Treutler, Stefanie Döll, Alida S D Kindt, Thomas Hankemeier, Steffen Neumann

Metabolites· October 2019

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