The DOI matches its Crossref record; 66 of the 66 references it cites were found in a registry or an index.
MetaboAnalystR 4.0: a unified LC-MS workflow for global metabolomics
Open accessAbstract
The wide applications of liquid chromatography - mass spectrometry (LC-MS) in untargeted metabolomics demand an easy-to-use, comprehensive computational workflow to support efficient and reproducible data analysis. However, current tools were primarily developed to perform specific tasks in LC-MS based metabolomics data analysis. Here we introduce MetaboAnalystR 4.0 as a streamlined pipeline covering raw spectra processing, compound identification, statistical analysis, and functional interpretation. The key features of MetaboAnalystR 4.0 includes an auto-optimized feature detection and quantification algorithm for LC-MS1 spectra processing, efficient MS2 spectra deconvolution and compound identification for data-dependent or data-independent acquisition, and more accurate functional interpretation through integrated spectral annotation. Comprehensive validation studies using LC-MS1 and MS2 spectra obtained from standards mixtures, dilution series and clinical metabolomics samples have shown its excellent performance across a wide range of common tasks such as peak picking, spectral deconvolution, and compound identification with good computing efficiency. Together with its existing statistical analysis utilities, MetaboAnalystR 4.0 represents a significant step toward a unified, end-to-end workflow for LC-MS based global metabolomics in the open-source R environment.
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A cross-platform toolkit for mass spectrometry and proteomics
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Self-citationMetaboAnalyst: a web server for metabolomic data analysis and interpretation
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Metadata
- Authors
- Pang, Z., Xu, L., Viau, C., Lu, Y., Salavati, R., Basu, N., & Xia, J.
- Venue
- Nature Communications
- Published
- 2024-05-01
- Volume
- 15
- Issue
- 1
- Pages
- 3675-3675
- ISSN
- 2041-1723 (ISSN-L)
- OpenAlex
- W4396547507
- Cited by
- 284
- References
- 66
- FWCI
- 32.88
- Type
- journal article
- Language
- en
- Open access
- gold
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- Pang, Z., Xu, L., Viau, C., Lu, Y., Salavati, R., Basu, N., & Xia, J. (2024). MetaboAnalystR 4.0: a unified LC-MS workflow for global metabolomics. Nature Communications. https://doi.org/10.1038/s41467-024-48009-6
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