Table 1.

Summary of metabolites of JQ1 in HLM and MLM.

RT (min)	Observed m/z [M + H]+	Calculated m/z [M + H]+	Mass error (ppm)	Predicted molecular formula	Identification	Metabolite ID	Source
12.02	457.1460	457.1459	0.22	C23H26ClN4O2S	JQ1	JQ1	HLM, MLM
10.16	473.1410	473.1409	0.21	C23H26ClN4O3S	O + JQ1	M1	HLM, MLM
10.37	473.1408	473.1409	−0.21	C23H26ClN4O3S	O + JQ1	M2	HLM, MLM
11.38	473.1411	473.1409	0.43	C23H26ClN4O3S	O + JQ1	M3	HLM, MLM
9.32	401.0833	401.0834	−0.25	C19H18ClN4O2S	JQ1 [–C(CH3)3]	M4	HLM, MLM
8.28	489.1359	489.1358	0.20	C23H26ClN4O4S	2O + JQ1	M5	HLM, MLM
9.74	489.1357	489.1358	−0.20	C23H26ClN4O4S	2O + JQ1	M6	HLM, MLM
11.07	471.1255	471.1252	0.64	C23H24ClN4O3S	O + JQ1 (–2H)	M7	HLM, MLM
7.48	417.0781	417.0783	−0.48	C19H18ClN4O3S	O + JQ1 [–C(CH3)3]	M8	HLM, MLM
10.32	487.1202	487.1201	0.20	C23H24ClN4O4S	2O + JQ1 (–2H)	M9	HLM, MLM

JQ1; –C(CH₃)₃, de-tert-butylation; O+, monohydroxylation; 2O+, dihydroxylation; –2H, dehydrogenation; HLM/MLM, human/mouse liver microsomes.