xMSanalyzer: automated pipeline for improved feature detection and downstream analysis of large-scale, non-targeted metabolomics data

Table 4 xMSanalyzer doubles the number of features detected in human patient population

Dialysis patients are highly susceptible to environmental chemicals due to repeated exposures to pharmaceuticals, water, and plastics during dialysis sessions. A dataset from 10 plasma samples collected in dialysis patients, each with 2 analytical replicates, were analyzed by xMSanalyzer (at min.exp = 2) and resulted in a >2-fold increase in feature detection (from 6538 to 15955 features on the AE column), in which most m/z are unmatched in the metabolomics database MMCD.

ISSN: 1471-2105