In 2023, Zhu goup developed a mass spectrum-oriented computational method, namely, Met4DX, for efficiently processing ion mobility-resolved 4D untargeted metabolomics with high coverage (Nature Commun. 2023). With further developments, Met4DX has evolved into is a fast, robust, and convenient mass spectrometry data processing tool for metabolomics and lipidomics. The versatile tool facilitates the processing of both 3-dimensional LC-MS data and 4-dimensional LC-IM-MS data, encompassing main functions such as data conversion, peak detection, retention time correction, peak grouping, assignment of MS/MS spectra, and others.

       Specifically, for peak detection, Met4DX employs a unique mass spectrum-oriented bottom-up assembly algorithm, ensuring the high-sensitive and high-coverage detection of TRUE MS peaks in metabolomics data (both 3D and 4D datasets). Additionally, Met4DX also supports a uniform peak quantification strategy that enhances the accuracy of peak quantitation in large-scale metabolomics analysis. Moreover, Met4DX allows users to export results, enabling further analysis through complementary tools, such as MetDNA for metabolite identification (http://metdna.zhulab.cn/), MetFlow for large-scale data integration (http://metflow.zhulab.cn/), and MetTracer for stable-isotope tracing metabolomics data analysis.

Web Link of Met4DX: http://met4dx.zhulab.cn/

Met4DX publications:

1) M. Luo, Y. Yin, Z. Zhou, H. Zhang, X. Chen, H. Wang, and Z.-J. Zhu*, A Mass Spectrum-oriented Computational Method for Ion Mobility-resolved Untargeted Metabolomics, Nature Communications, 2023, 14: 1813.  Web Link