Metabolic Reaction Network-based Recursive Metabolite Identification for Untargeted Metabolomics

Shen, X.; Xiong, X.; Wang, R.; Yin, Y.; Cai, Y.; Ma, Z.; Liu, N.; Zhu, Z.-J.

doi:10.1101/305201

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bioRxiv · 10.1101/305201

Metabolic Reaction Network-based Recursive Metabolite Identification for Untargeted Metabolomics

Shen, X.·Xiong, X.·Wang, R.·Yin, Y.·Cai, Y.·Ma, Z.·Liu, N.·Zhu, Z.-J.

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Abstract

Metabolite identification is a long-standing challenge in untargeted metabolomics and a major hurdle for functional metabolomics studies. Here, we developed a metabolic reaction network-based recursive algorithm and webserver called MetDNA for the large-scale and unambiguous identification of metabolites (available at http://metdna.zhulab.cn). We showcased the versatility of our workflow using different instrument platforms, data acquisition methods, and biological sample types and demonstrated that over 2,000 metabolites could be identified from one experiment.

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Shen, X., Xiong, X., Wang, R., Yin, Y., Cai, Y., Ma, Z., Liu, N., Zhu, Z.-J.. 2018-04-23. Metabolic Reaction Network-based Recursive Metabolite Identification for Untargeted Metabolomics. https://doi.org/10.1101/305201

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