Extended Data Fig. 4: Analysis of synthetic conjugated bile acid mixtures.
From: Reverse metabolomics for the discovery of chemical structures from humans
a) Comparison of amino acid distributions for MASST searches of Orbitrap (Thermo QE) vs. Q-ToF (Bruker MaXis) data in positive ionization mode. b) Quantification of conjugated bile acids in healthy human fecal samples (n = 15). Boxplots show first (lower) quartile, median, and third (upper) quartile, whiskers extend from the minimum to maximum values and the centre line indicates the median. c) Principal coordinates analysis (PCoA) plot using binary Jaccard distances for sample compositions of synthesized conjugated bile acids, which excludes Gly and Tau amidates.
