The urine samples were analysed in 60 µL aliquots using ultra-high performance liquid chromatography coupled to high resolution mass spectrometry (UHPLC-HRMS) using the protocol detailed in Additional file 1. All samples were analysed in a single analytical run with inclusion of pooled quality control (QC) samples. The chemical identity of selected urinary metabolites was confirmed by fragmentation analysis using ion-trap mass spectrometry and comparison with authentic standards (Additional file 1).
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