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. Author manuscript; available in PMC: 2014 Mar 1.
Published in final edited form as: Toxicol In Vitro. 2012 Nov 23;27(2):662–671. doi: 10.1016/j.tiv.2012.11.013

Table 1.

Predicted mass modifications due to carbamoylation with HDI via GSH

Δ Mass Chemical formula Description
142.11 C7H14N2O HDI*, *2nd NCO hydrolyzed
168.09 C8H12N2O2 HDI, cross-linked
532.19 C20H32N6O9S HDI-GSH (2nd NCO conjugated to γ-glu of GSH, acetylation of GSH's thiol)
674.30 C27H46N8O10S HDI*-HDI-GSH (2 HDI molecules linked via 1 hydrolyzed NCO, conjugated to GSH's γ-glu, acetylation of GSH's thiol)