Reproducible mass spectrometry data processing and compound annotation in MZmine 3.

Autor: Heuckeroth S; University of Münster, Münster, Germany., Damiani T; Institute of Organic Chemistry and Biochemistry of the Czech Academy of Sciences, Prague, Czech Republic., Smirnov A; University of North Carolina at Charlotte, Charlotte, NC, USA., Mokshyna O; Institute of Organic Chemistry and Biochemistry of the Czech Academy of Sciences, Prague, Czech Republic., Brungs C; Institute of Organic Chemistry and Biochemistry of the Czech Academy of Sciences, Prague, Czech Republic., Korf A; Institute of Organic Chemistry and Biochemistry of the Czech Academy of Sciences, Prague, Czech Republic., Smith JD; Institute of Organic Chemistry and Biochemistry of the Czech Academy of Sciences, Prague, Czech Republic.; First Faculty of Medicine, Charles University, Prague, Czech Republic., Stincone P; University of Tuebingen, Tuebingen, Germany., Dreolin N; Waters Corporation, Wilmslow, UK., Nothias LF; University of Geneva, Geneva, Switzerland.; Université Côte d'Azur, CNRS, ICN, Nice, France., Hyötyläinen T; Örebro University, Örebro, Sweden., Orešič M; Örebro University, Örebro, Sweden.; University of Turku and Åbo Akademi University, Turku, Finland., Karst U; University of Münster, Münster, Germany., Dorrestein PC; Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California San Diego, La Jolla, CA, USA., Petras D; University of Tuebingen, Tuebingen, Germany.; University of California Riverside, Riverside, CA, USA., Du X; University of North Carolina at Charlotte, Charlotte, NC, USA., van der Hooft JJJ; Wageningen University & Research, Wageningen, the Netherlands.; University of Johannesburg, Johannesburg, South Africa., Schmid R; University of Münster, Münster, Germany. rschmid1789@gmail.com.; Institute of Organic Chemistry and Biochemistry of the Czech Academy of Sciences, Prague, Czech Republic. rschmid1789@gmail.com.; Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California San Diego, La Jolla, CA, USA. rschmid1789@gmail.com., Pluskal T; Institute of Organic Chemistry and Biochemistry of the Czech Academy of Sciences, Prague, Czech Republic. tomas.pluskal@uochb.cas.cz.

Publikováno v: Nature protocols [Nat Protoc] 2024 Sep; Vol. 19 (9), pp. 2597-2641. Date of Electronic Publication: 2024 May 20.

Integrative analysis of multimodal mass spectrometry data in MZmine 3.

Autor: Schmid R; Collaborative Mass Spectrometry Innovation Center, Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California San Diego, La Jolla, CA, USA.; Institute of Inorganic and Analytical Chemistry, University of Münster, Münster, Germany.; Institute of Organic Chemistry and Biochemistry of the Czech Academy of Sciences, Prague, Czech Republic., Heuckeroth S; Institute of Inorganic and Analytical Chemistry, University of Münster, Münster, Germany., Korf A; Institute of Inorganic and Analytical Chemistry, University of Münster, Münster, Germany., Smirnov A; Department of Bioinformatics and Genomics, University of North Carolina at Charlotte, Charlotte, NC, USA., Myers O; Department of Bioinformatics and Genomics, University of North Carolina at Charlotte, Charlotte, NC, USA., Dyrlund TS; Steno Diabetes Center Copenhagen, Gentofte, Denmark., Bushuiev R; Institute of Organic Chemistry and Biochemistry of the Czech Academy of Sciences, Prague, Czech Republic., Murray KJ; Department of Biochemistry, Molecular Biology, and Biophysics, University of Minnesota - Twin Cities, Minneapolis, MN, USA., Hoffmann N; Institute for Bio- and Geosciences (IBG-5), Forschungszentrum Jülich GmbH, Jülich, Germany., Lu M; School of Engineering, Westlake University, Hangzhou, China., Sarvepalli A; BlockLab, Center for Large Datasystems Research, San Diego Supercomputer Center, La Jolla, CA, USA., Zhang Z; Collaborative Mass Spectrometry Innovation Center, Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California San Diego, La Jolla, CA, USA., Fleischauer M; Chair for Bioinformatics, Friedrich Schiller University Jena, Jena, Germany., Dührkop K; Chair for Bioinformatics, Friedrich Schiller University Jena, Jena, Germany., Wesner M; Institute of Inorganic and Analytical Chemistry, University of Münster, Münster, Germany., Hoogstra SJ; Agriculture and Agri-Food Canada, London Research and Development Centre, London, Ontario, Canada., Rudt E; Institute of Inorganic and Analytical Chemistry, University of Münster, Münster, Germany., Mokshyna O; Institute of Organic Chemistry and Biochemistry of the Czech Academy of Sciences, Prague, Czech Republic., Brungs C; Institute of Organic Chemistry and Biochemistry of the Czech Academy of Sciences, Prague, Czech Republic., Ponomarov K; Institute of Organic Chemistry and Biochemistry of the Czech Academy of Sciences, Prague, Czech Republic., Mutabdžija L; Institute of Organic Chemistry and Biochemistry of the Czech Academy of Sciences, Prague, Czech Republic., Damiani T; Institute of Organic Chemistry and Biochemistry of the Czech Academy of Sciences, Prague, Czech Republic., Pudney CJ; Datacraft Technologies, Mosman Park, Washington, Western Australia, Australia., Earll M; Analytical Solutions Group, Product Technology and Engineering, Jealott's Hill International Research Centre, Bracknell, UK., Helmer PO; Institute of Inorganic and Analytical Chemistry, University of Münster, Münster, Germany., Fallon TR; Center for Marine Biotechnology and Biomedicine, Scripps Institution of Oceanography, University of California San Diego, La Jolla, CA, USA., Schulze T; Department of Effect-Directed Analysis, Helmholtz Centre for Environmental Research - UFZ, Leipzig, Germany., Rivas-Ubach A; Ecology and Forest Genetics, Institute of Forest Sciences (ICIFOR-INIA-CSIC), Madrid, Spain., Bilbao A; Earth and Biological Sciences Directorate, Pacific Northwest National Laboratory, Richland, WA, USA., Richter H; Clinic for Diagnostic Imaging, Diagnostic Imaging Research Unit (DIRU), University of Zurich, Zürich, Switzerland., Nothias LF; School of Pharmaceutical Sciences, University of Geneva, Geneva, Switzerland., Wang M; Department of Computer Science, University of California Riverside, Riverside, CA, USA., Orešič M; School of Medical Sciences, Örebro University, Örebro, Sweden.; Turku Bioscience Centre, University of Turku and Åbo Akademi University, Turku, Finland., Weng JK; Whitehead Institute for Biomedical Research, Cambridge, MA, USA.; Department of Biology, Massachusetts Institute of Technology, Cambridge, MA, USA., Böcker S; Chair for Bioinformatics, Friedrich Schiller University Jena, Jena, Germany., Jeibmann A; Institute of Neuropathology, University Hospital Münster, Münster, Germany., Hayen H; Institute of Inorganic and Analytical Chemistry, University of Münster, Münster, Germany., Karst U; Institute of Inorganic and Analytical Chemistry, University of Münster, Münster, Germany., Dorrestein PC; Collaborative Mass Spectrometry Innovation Center, Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California San Diego, La Jolla, CA, USA., Petras D; CMFI Cluster of Excellence, University of Tuebingen, Tuebingen, Germany., Du X; Department of Bioinformatics and Genomics, University of North Carolina at Charlotte, Charlotte, NC, USA., Pluskal T; Institute of Organic Chemistry and Biochemistry of the Czech Academy of Sciences, Prague, Czech Republic. tomas.pluskal@uochb.cas.cz.

Publikováno v: Nature biotechnology [Nat Biotechnol] 2023 Apr; Vol. 41 (4), pp. 447-449.

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Navigating common pitfalls in metabolite identification and metabolomics bioinformatics.

Autor: Novoa-Del-Toro EM; Toxalim (Research Centre in Food Toxicology), Université de Toulouse, INRAE, ENVT, INP- Purpan, UPS, 180 chemin de Tournefeuille St-Martin-du-Touch, BP 3, Toulouse Cedex, 31931, France., Witting M; Metabolomics and Proteomics Core, Helmholtz Zentrum München, 85764, Neuherberg, Germany. michael.witting@helmholtz-munich.de.; Chair of Analytical Food Chemistry, TUM School of Life Sciences, Technical University of Munich, 85354, Freising-Weihenstephan, Germany. michael.witting@helmholtz-munich.de.

Publikováno v: Metabolomics : Official journal of the Metabolomic Society [Metabolomics] 2024 Sep 21; Vol. 20 (5), pp. 103. Date of Electronic Publication: 2024 Sep 21.

Comparative Analysis of Cyanotoxins in Fishponds in Nigeria and South Africa.

Autor: Bassey, Odo J.¹ (AUTHOR) odojones@gmail.com, Gumbo, Jabulani R.² (AUTHOR) jabulani_gumbo@yahoo.co.uk, Mujuru, Munyaradzi³ (AUTHOR), Adeyemi, Adeeyo² (AUTHOR), Dondofema, Farai¹ (AUTHOR)

Publikováno v: Microbiology Research. Jun2024, Vol. 15 Issue 2, p447-456. 10p.