Metabolite Profiling of Meridianin C In Vivo of Rat by UHPLC/Q-TOF MS

Table 2

UHPLC/Q-TOF MS analysis MC and its metabolites in rat plasma, bile, urine, and feces.

RT (min)	No.	Calculated mass	Observed mass (Da) fragment ions^a	Error (mDa)^b	Metabolite name	Formula	Matrix^c
2.49	M1	481.0359	481.0365/483.03, 305.00/307.00, 226.09, 185.07	−0.6	Hydroxylation + glucuronide	C18H17BrN4O7	P, B, U, F
2.97	M2	384.9606	384.9613/386.96, 305.00/307.00, 226.09, 209.06, 197.08, 185.07	−0.7	Hydroxylation + sulfation	C12H9BrN4O4S	P, B, U, F
3.24	M3	305.0038	305.0118/307.01, 289.01, 226.09, 185.07	−8.0	Hydroxylation	C12H9BrN4O	P, U, F
3.33	M4	465.0410	465.0421/467.0406	−1.1	Glucuronide conjugation	C18H17BrN4O6	P, U, F
3.38	M5	465.0410	465.0416, 305.00/307.00, 226.08, 210.09, 185.07, 169.08	−0.6	Glucuronide conjugation	C18H17BrN4O6	P, B, U, F
3.61	M6	305.0038	305.0043/307.00, 289.01/291.01	−0.5	Hydroxylation	C12H9BrN4O	F
3.75	M7	465.0410	465.0408, 289.01/291.01, 210.09, 169.08	0.2	Glucuronide conjugation	C18H17BrN4O6	U, F
3.78	M8	320.9987	320.9985/322.9968	0.2	2x Hydroxylation	C12H9BrN4O2	P, U, F
3.85	M9	481.0359	481.0359/483.03, 305.00/307.00, 226.09, 209.06, 198.09, 143.06	0.0	Hydroxylation + glucuronide	C18H17BrN4O7	P, B, U, F
4.22	M10	289.0089	289.0089/291.01, 209.08, 169.08, 140.05	0.0	Parent	C12H9BrN4	P, B, U, F
4.37	M11	384.9606	384.9608/386.96, 305.00/307.00, 226.09, 209.06, 198.09, 185.07, 143.06	−0.2	Hydroxylation + sulfation	C12H9BrN4O4S	P, B, U, F
4.47	M12	305.0038	305.0041/307.00, 289.01/291.01, 169.08	−0.3	Hydroxylation	C12H9BrN4O	B, F
4.63	M13	336.9936	334.9955/336.9951, 318.97, 320.97	−1.9	3x hydroxylation	C12H9BrN4O3	F
6.06	M14	445.0148	443.0180/445.0161, 288.00/290.00, 246.99/248.99, 208.07, 168.07	−1.3	Hydration + glucuronide conjugation + 2× alcohols dehydration	C18H13BrN4O5	P, F

^aOnly characteristic fragment ions were shown. ^bThe mass error of molecular ions. ^cU, urine samples; B, bile samples; P, plasma samples; F, fecal samples.