Metabolite Retention time (min) Molecular Ion Structure Samples metabolite is found in
B1 6.4-6.8 min d0- m/z 266 d3- m/z 269 d4- mz/ 269 image 3MC RLM
SD RLM
Pb RLM
Fisher RLM
Dex RLM
H. CYP1A1
B2 7.5-9.0 min d0- m/z 266 d3- m/z 268 d4- m/z 270 image SD RLM
Pb RLM
Fisher RLM
Dex RLM
3MC RLM
HLM
H. CYP1A1
H. CYP1A2
H. CYP1B1
R. CYP1A1
R. CYP1A2
Dog- hepatocytes
3MC RLM+GSH
HLM+GSH
B3 9.1 min d0- m/z 266 d3- m/z 269 d4- mz/ 270 image 3MC RLM
B4 10.5-11.5 min d0- m/z 266 Unknown H. CYP1A1
H. CYP1B1
R. CYP1A1
R. CYP1A2
3MC Rat+GSH
B5 3.0-3.7 min d0- m/z 282
d3- m/z 284
d4- mz/ 286
image HLM3MC RLM
R. CYP1A1
H. CYP1A1
H. CYP 1B1
3MC RLM+GSH
HLM+GSH
B6 4.8-6.3 min d0- m/z 282
d3- m/z 284
d4- mz/ 286
image 3MC RLM
H. CYP1A1
N1 11.2-12.2 min d0- m/z308 d3- m/z311 d4- m/z312 image 3MC RLM
H. CYP1A1
H. CYP1A2
R. CYP1A1
R. hepatocytes
N2 13.0-14.0 min d0- m/z308 d3- m/z310 d4- m/z312 image 3MC RLM
H. CYP1A1
R. CYP1A1
R. CYP1A2
R. hepatocytes
D. hepatocytes
3MC RLM+GSH
HLM+GSH
N3 16.5-18 min d0- m/z308 d3- m/z311 d4- m/z312 image 3MC RLM
H. CYP1A1
R. CYP1A1 3MC RLM+GSH
N4 3.5-4.4 min d0- m/z324 d3- m/z326 d4- m/z328 image 3MC RLM
H. CYP1A1
H. hepatocytes
Table 1: Proposed Structures for BAT and NAB oxidative (Phase I) metabolites.