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. Author manuscript; available in PMC: 2019 Aug 15.
Published in final edited form as: Science. 2019 Feb 15;363(6428):eaar7785. doi: 10.1126/science.aar7785

Fig. 3. Comparing DNA adducts generated in vivo with a synthetic standard confirms their chemical structures.

Fig. 3.

(A) In vitro DNA alkylation reaction used to generate a synthetic standard of adducts 1 and 2. ctDNA = calf-thymus DNA; PLE = pig liver esterase. (B) Chemical structures of diastereomeric DNA adducts 6 and 7 showing key 2D-NMR correlations that support the hemiaminal and N3-adenine assignments. (C) EICs of the L-[1-13C]Cys-labeled in vivo adducts 1 and 2 (m/z 541.1805), co-injection of synthetic standard (m/z 540.1772) with in vivo adducts 1 and 2 (m/z 541.1805 and residual unlabeled m/z 540.1772), and synthetic standard (m/z 540.1772).