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. Author manuscript; available in PMC: 2013 Sep 17.
Published in final edited form as: Chem Res Toxicol. 2012 Jul 3;25(9):1842–1861. doi: 10.1021/tx3000494

Scheme 8.

Scheme 8

Postulated fragmentation pathways for the MS3 fragmentation of the y2 fragment ions of the following products: 5-h-Gly[αC] (m/z are black colored), 5-d-Gly[αC] (m/z are blue colored), 7-h-Gly[αC] (m/z are red colored). The red-colored atoms indicate the position of 15N and 13C when GSH* is used to explain the fragmentation mechanism. The blue-colored atoms indicate either the use of a protonated acetyl radical (X=H) or a deuterated acetyl radical (X=D).