Mass spectrometry-based untargeted metabolomics data analysis

Mass spectrometry-based untargeted metabolomics data analysis Mass-spectrometry coupled with liquid chromatography (LC-MS) is the leading technology for the study of metabolomics. In MS-based untargeted metabolomics, a maximum of compounds is measured and compared across a sample set and then identified using metabolomics databases. Software tools are used for preprocessing, processing, and visualization of MS data, as well as classification, network, enrichment, and integrative analysis.

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Data preprocessing

Data processing

Classification/Clustering

Network analysis

Integrative analysis

Unclassified tools