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. 2021 Aug 2;131(15):e148272. doi: 10.1172/JCI148272

Figure 2. Molecular identification of unknown biomarkers in PDE-ALDH7A1 from untargeted metabolomics/NGMS data using IRIS.

Figure 2

Matching overlay of the IR spectra of biomarker A (A, m/z 186.1123 and retention time [RT] 2.33 minutes), biomarker B (B, m/z 186.1123 and RT 2.55 minutes), and biomarker C (C, m/z 144.0652 and RT 3.05 minutes) measured in PDE-ALDH7A1 patient plasma (black traces) and the IR spectra of the protonated 2S,6S-2OPP (A), 2S,6R-2-OPP (B), and 6-oxoPIP (C) ions measured from synthetic reference standards (red traces). Molecular structures of the ions are inlaid in each panel.