MetDIA: Targeted Metabolite Extraction of Multiplexed MS/MS Spectra Generated by Data-Independent Acquisition


Brief introduction: With recent advances in mass spectrometry, there is an increased interest in data-independent acquisition (DIA) techniques for metabolomics. With DIA technique, all metabolite ions are sequentially selected and isolated using a wide window to generate multiplexed MS/MS spectra. Therefore, DIA strategy enables a continuous and unbiased acquisition of all metabolites and increases the data dimensionality, but presents a challenge to data analysis due to the loss of the direct link between precursor ion and fragment ions. Here, we developed a new metabolite-centric approach, namely, MetDIA, to process DIA data. The comparisons of our MetDIA method with data-dependent acquisition (DDA) method demonstrated that MetDIA could significantly detect more metabolites in biological samples, and is more accurate and sensitive for metabolite identifications. The MetDIA program and the metabolite spectral library is freely available on the Internet.


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MetDIA instruction and demo report

MetDIA demo data


Please send email to jiangzhu AT sioc.ac.cn to request a copy of MetDIA

Reference: H. Li, Y. Cai, Y. Guo, F. Chen, and Z.-J. Zhu*(Corresponding author), MetDIA: Targeted Metabolite Extraction of Multiplexed MS/MS Spectra Generated by Data-Independent Acquisition, Analytical Chemistry, 2016. Web Link