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Column switching liquid chromatography dual mass spectrometry system for simultaneous untargeted metabolomics and targeted exposomics
Exposome-wide association studies (ExWAS) require the detection of metabolites and exposures with diverse chemical properties across wide concentration ranges, a task that typically demands multiple analytical methods. To address this challenge, we develop an integrated column-switching two-dimensional liquid chromatog...
X-Align: annotation-independent cross-platform alignment of untargeted metabolomics features
Massive untargeted metabolomics datasets are rapidly accumulating, but cross-study and cross-platform reuse remain limited by poor comparability. This limitation is exacerbated by the low rate of confident structural annotation, which restricts structure-based alignment to only a small fraction of detected metabolic fe...