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. Author manuscript; available in PMC: 2017 May 3.

Published in final edited form as: Anal Chem. 2016 Apr 15;88(9):4780–4787. doi: 10.1021/acs.analchem.6b00124

a. EIC and product ion spectra of the adducts at the MS³ scan stage from DNA digest of carcinogen-treated rodent tissues: bladder for 4-ABP adducts; pancreas for PhIP adducts and lung, B[a]P. The m/z of aglycones ([BH₂]⁺ = [M+H-116]⁺) are: G-C8-4-ABP (m/z 319.1), G-C8-PhIP (m/z 374.1), G-N²-B[a]PDE (m/z 454.1) and their internal standards (Δm/z = 5). The signature MS³ fragment ions of each adduct are shown on the right. The positions of ¹³C are indicated by asterisk symbols in red.

b. EIC and product ion spectra of the adducts at the MS³ scan stage from DNA digest of NNK-treated mouse liver. The m/z of aglycones ([BH₂]⁺ = [M+H-116]⁺) are: O⁶-Me-G (m/z 166.1), O⁶-POB-G (m/z 299.1) and their internal standards (m/z 169.1 and 303.1, respectively). The signature MS³ fragment ions of each adduct are shown on the right. The positions of deuterium are highlighted in red.

a. EIC and product ion spectra of the adducts at the MS³ scan stage from DNA digest of carcinogen-treated rodent tissues: bladder for 4-ABP adducts; pancreas for PhIP adducts and lung, B[a]P. The m/z of aglycones ([BH₂]⁺ = [M+H-116]⁺) are: G-C8-4-ABP (m/z 319.1), G-C8-PhIP (m/z 374.1), G-N²-B[a]PDE (m/z 454.1) and their internal standards (Δm/z = 5). The signature MS³ fragment ions of each adduct are shown on the right. The positions of ¹³C are indicated by asterisk symbols in red.

b. EIC and product ion spectra of the adducts at the MS³ scan stage from DNA digest of NNK-treated mouse liver. The m/z of aglycones ([BH₂]⁺ = [M+H-116]⁺) are: O⁶-Me-G (m/z 166.1), O⁶-POB-G (m/z 299.1) and their internal standards (m/z 169.1 and 303.1, respectively). The signature MS³ fragment ions of each adduct are shown on the right. The positions of deuterium are highlighted in red.