Purple discoloration of the colon found during autopsy: Identification of betanin, its aglycone and metabolites by liquid chromatography–high-resolution.

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Purple discoloration of the colon found during autopsy: Identification of betanin, its aglycone and metabolites by liquid chromatography–high-resolution mass spectrometry Andreas T. Roemmelt, Sabine Franckenberg, Andrea E. Steuer, Thomas Kraemer Forensic Science International Volume 240, Pages e1-e6 (July 2014) DOI: 10.1016/j.forsciint.2014.03.016 Copyright © 2014 Elsevier Ireland Ltd Terms and Conditions

Fig. 1 Chemical structures of important betalains: betanin (a), isobetanin (b), betanidin (c), isobetanidin (d), vulgaxanthin I (e) and vulgaxanthin II (f). Forensic Science International 2014 240, e1-e6DOI: (10.1016/j.forsciint.2014.03.016) Copyright © 2014 Elsevier Ireland Ltd Terms and Conditions

Fig. 2 Different autopsy findings of the colon of the presented case (a, b) and normal findings (c). (a) Outer membrane of the colored colon (red circle); (b) inner membrane of the colored colon (green circle); (c) outer (red circle) and inner (green circle) membrane (not colored). Forensic Science International 2014 240, e1-e6DOI: (10.1016/j.forsciint.2014.03.016) Copyright © 2014 Elsevier Ireland Ltd Terms and Conditions

Fig. 3 LC HRMS results of colon extract. (a) Total ion chromatogram; (b) TOF MS at peak 1; (c) extracted ions of m/z 551±0.01Da (1 and 2) and m/z 389±0.01Da (3). Forensic Science International 2014 240, e1-e6DOI: (10.1016/j.forsciint.2014.03.016) Copyright © 2014 Elsevier Ireland Ltd Terms and Conditions

Fig. 4 Fragment ion spectra of different betanidins. (a) MS/MS spectrum of betanidin; (b) MS/MS spectrum of betanin; (c) MS/MS spectrum of betanidin glucuronide; (d) MS/MS spectrum of betanidin sulfate. Forensic Science International 2014 240, e1-e6DOI: (10.1016/j.forsciint.2014.03.016) Copyright © 2014 Elsevier Ireland Ltd Terms and Conditions

Fig. 5 Postulated fragmentation pathways of betanidin-rest (after loss of the respective glucose, glucuronic acid or sulfate moieties, respectively). Forensic Science International 2014 240, e1-e6DOI: (10.1016/j.forsciint.2014.03.016) Copyright © 2014 Elsevier Ireland Ltd Terms and Conditions