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GNPS Feature-Based Molecular Networking results for Rhodococcus strains under variable temperature conditions

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Figshare2026-02-06 更新2026-04-28 收录
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https://figshare.com/articles/dataset/GNPS_Feature-Based_Molecular_Networking_results_for_i_Rhodococcus_i_strains_under_variable_temperature_conditions/29291156
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This dataset contains the output files generated from the Feature-Based Molecular Networking (FBMN) workflow performed on the GNPS platform (https://gnps.ucsd.edu) for all Rhodococcus strains analysed in this study. Strains were grown at three temperatures (20 °C, 25 °C, and 30 °C), and LC-HRMS/MS data were processed using MZmine 2 and submitted to GNPS for MS/MS-based network generation.Contents of the archive:network.graphml – molecular network file for visualisation in Cytoscape.node_attributes.tsv – includes metadata for each feature (m/z, RT, sample group, GNPS library hits, etc.).clusterinfo_summary.tsv – summarises molecular families.quantification_table.tsv – feature intensities across all samples.library_hits.tsv – known compound matches from GNPS spectral libraries.These results were used to generate the molecular network shown in Figure 3 and Supplementary Figure S2, S3, and S4 presented in the manuscript.
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2026-02-06
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