Advancing untargeted metabolomics using data-independent acquisition mass spectrometry technology.

ABSTRACT

Metabolomics quantitatively measures metabolites in a given biological system and facilitates the understanding of physiological and pathological activities. With the recent advancement of mass spectrometry (MS) technology, liquid chromatography-mass spectrometry (LC-MS) with data-independent acquisition (DIA) has been emerged as a powerful technology for untargeted metabolomics due to its capability to acquire all MS2 spectra and high quantitative accuracy. In this trend article, we first introduced the basic principles of several common DIA techniques including MSE, all ion fragmentation (AIF), SWATH, and MSX. Then, we summarized and compared the data analysis strategies to process DIA-based untargeted metabolomics data, including metabolite identification and quantification. We think the advantages of the DIA technique will enable its broad application in untargeted metabolomics.