TABLE 3.

Mass spectrometric identification of ¹⁴C-ACT-1004-1239 and its metabolites in rat urine.

Positive ionization mode
Compound	Retention time (min)	Accurate mass [M + H]+	Calculated/exact mass [M + H]+	Diagnostic fragment ions (MSn)	Identity
ACT-1004-1239	106.5	525.2292	525.2296	390, 336, 299, 216, 136	-
M1	54.4	471.1823	471.1827	336, 216, 136	- C4H6 (oxidative N-dealkylation)
M38	19.9	316.2132	316.2132	299, 216	- C10H3F2NO2 (hydrolysis)
Negative ionization mode
Compound	Retention time (min)	Accurate mass [M-H]-	Calculated/exact mass [M-H]-	Diagnostic fragment ions (MSn)	Identity
M23 a	13.4	182.0302	182.0299	182, 162, 138	- C17H23N5O+ O (hydrolysis)

For all compounds, except M38, the presented data refer to radiolabeled material (e.g., ¹⁴C-ACT-1004-1239).

^aSource fragmentation, the [M-H]- ion was not directly observed, [M-CO₂-H]- was detected instead.