Fig. 4.

IC/BPS participants exhibit urinary sulfometabolomic shifts. (a) Representative MS–MS scan of Etio-S indicates loss of a sulfate group at m/z 97. Using this information, a precursor scan was designed to yield a metabolomic dataset selective for sulfoconjugated metabolites. (b) The characteristic m/z 97 loss, generated by sulfoconjugated aliphatic alcohols. (c) A PCA-DA plot comparing the differences in sulfoconjugated metabolites from IC/BPS and control urines shows the distinct differences in the urinary sulfometabolome of IC/BPS subjects. (d) The distribution of values from the loading plot arising from shifts in multiple sulfoconjugated molecules. These results were confirmed in three independent experiments.