Untargeted Metabolomics Workflow
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Corresponding Organization :
Other organizations : University of California, San Diego, University of Montana, Stanford University, Scripps Institution of Oceanography, Sirenas (United States), Universidad Nacional Autónoma de México, Salk Institute for Biological Studies, San Diego State University, Instituto de Investigaciones Científicas y Servicios de Alta Tecnología, City of Knowledge, Lawrence Berkeley National Laboratory, Center for Systems Biology, Université de Rennes, University of Minnesota, Dynamique des Génomes et Adaptation Microbienne, Université de Lorraine, Technical University of Denmark, J. Craig Venter Institute, ETH Zurich, University of Illinois at Chicago, National Sun Yat-sen University, Agricultural Biotechnology Research Center, Academia Sinica, University of Münster, Victoria University of Wellington, University of North Carolina at Chapel Hill, Indiana University Bloomington, Universidade de São Paulo, University of Notre Dame, University of California, Santa Cruz, La Jolla Bioengineering Institute, Oregon State University, University of California, Berkeley, Florida International University, Helmholtz Institute for Pharmaceutical Research Saarland, University of Hawaiʻi at Mānoa, University of Geneva, European Molecular Biology Laboratory, Institut de Chimie des Substances Naturelles, Université Paris-Saclay, Centre National de la Recherche Scientifique, Pacific Northwest National Laboratory, National Institutes of Health, National Center for Advancing Translational Sciences, Chinese Academy of Sciences
Protocol cited in 231 other protocols
Variable analysis
- Compound selection based on theoretical mass and adducts
- MS/MS spectra selection criteria (precursor m/z error < 50 ppm, MS1 precursor intensity > 1E4)
- Putative compound identifications
- Representative MS/MS spectrum quality for each compound
- Centroiding and conversion of raw data to 32-bit uncompressed mzXML format
- Manual inspection and curation of candidate identifications
- Positive control: None mentioned
- Negative control: None mentioned
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