ArticleNature communications2023
A mass spectrum-oriented computational method for ion mobility-resolved untargeted metabolomics.
Article in Nature communications, 2023. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 14 papers.
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Who cites it
14 citing papers in PubMed, 30 citations in OpenAlex.
- DeepMASS v.2: An enhanced deep learning platform for large-scale discovery and structural annotation of unknown plant metabolites.Plant communications · 2026Article
- Regions of interest multivariate curve resolution for liquid chromatography with ion mobility high-resolution tandem mass spectrometry: analysis of plastic additives.Analytical and bioanalytical chemistry · 2026Article
- A One Health Framework for Proteomics Across the Tree of Life to Advance Food Security, Animal Health, and Ecosystem Resilience.Proteomes · 2026Review
- Metabolomics-Driven Precision Prevention and Treatment of Heart Failure with Traditional Chinese Medicine: From Mechanistic Insights to Metabolic Network Regulation.Drug design, development and therapy · 2026Review
- Large-Scale Metabolite Annotation in Untargeted Metabolomics Using MetDNA.Methods in molecular biology (Clifton, N.J.) · 2026Article
- Separative Techniques Coupled to Mass Spectrometry for Metabolomic Analysis.Advances in experimental medicine and biology · 2026Review
- Research on the Mechanism of "Cold Tumor" Formation and Immunotherapy for Its Transformation into "Hot Tumor".Oncology research · 2026Review
- Mechanisms and Applications of Gastrointestinal Microbiota-Metabolite Interactions in Ruminants: A Review.Microorganisms · 2025Review
- Spatial isotope deep tracing deciphers inter-tissue metabolic crosstalk.Nature communications · 2025Article
- Computational and Experimental IM-MS Determination of the Protonated Structures of Antimalarial Drugs.Journal of the American Society for Mass Spectrometry · 2024Article
- The changing metabolic landscape of bile acids - keys to metabolism and immune regulation.Nature reviews. Gastroenterology & hepatology · 2024Review
- Computational tools and algorithms for ion mobility spectrometry-mass spectrometry.Proteomics · 2024Review
- Collision cross section measurement and prediction methods in omics.Journal of mass spectrometry : JMS · 2023Review
- A mass spectrum-oriented computational method for ion mobility-resolved untargeted metabolomics.Nature communications · 2023Article
Corrections and comments
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Authors and funding
7 authors at 2 institutions in 1 country.
Funding
No grant is acknowledged in the PubMed record.
Abstract
Ion mobility (IM) adds a new dimension to liquid chromatography-mass spectrometry-based untargeted metabolomics which significantly enhances coverage, sensitivity, and resolving power for analyzing the metabolome, particularly metabolite isomers. However, the high dimensionality of IM-resolved metabolomics data presents a great challenge to data processing, restricting its widespread applications. Here, we develop a mass spectrum-oriented bottom-up assembly algorithm for IM-resolved metabolomics that utilizes mass spectra to assemble four-dimensional peaks in a reverse order of multidimensional separation. We further develop the end-to-end computational framework Met4DX for peak detection, quantification and identification of metabolites in IM-resolved metabolomics. Benchmarking and validation of Met4DX demonstrates superior performance compared to existing tools with regard to coverage, sensitivity, peak fidelity and quantification precision. Importantly, Met4DX successfully detects and differentiates co-eluted metabolite isomers with small differences in the chromatographic and IM dimensions. Together, Met4DX advances metabolite discovery in biological organisms by deciphering the complex 4D metabolomics data.
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Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.