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. Author manuscript; available in PMC: 2022 Apr 28.
Published in final edited form as: Nat Methods. 2021 Oct 28;18(11):1377–1385. doi: 10.1038/s41592-021-01303-3

Figure 4. NetID discovers mammalian taurine derivatives.

Figure 4.

(A) Subnetwork surrounding taurine from mouse liver extract data. Nodes, connections, and formulae are direct output of NetID. Boxes with structures were manually added. (B) LC-MS chromatogram of N-glucosyl-taurine standard and the putative glucosyl-taurine from liver extract. (C) Top 10 abundant ion peaks in MS2 spectrum of glucosyl-taurine peak from liver extract (top), and synthetic N-glucosyl-taurine standard (bottom). (D) Isotope labeling pattern of putative glucosyl-taurine in mice, infused via jugular vein catheter for 2 h with [U-13C]glucose (n=3). (E) Absolute N-glucosyl-taurine concentration in murine serum and tissues (n=3). Bar represents mean values and error bar indicates s.d. in (D) and s.e. in (E).