Table 3 Putative metabolites observed using accurate mass after one-hour incubation with recombinant human MAO-A, 2D6 with retention times (rt), observed m/z and transitions
Putative Metabolite (2D6) | Formula | m/z | ppm | rt (min) | Peak Area | % Area |
|---|---|---|---|---|---|---|
Demethylation and Ketone formation | C14H17N3O2 | 260.139 | 0.1 | 0.74 | 5.26E + 04 | 0.7 |
Demethylation and Ketone formation | C14H17N3O2 | 260.139 | −0.1 | 0.93 | 5.71E + 04 | 0.7 |
Demethylation and Ketone formation | C14H17N3O2 | 260.14 | 1.6 | 1.25 | 3.26E + 05 | 4.1 |
Di-Oxidation and Ketone Formation | C15H19N3O4 | 306.145 | −0.1 | 1.31 | 3.19E + 03 | 0 |
Loss of CH2 + Oxidation | C14H19N3O2 | 262.155 | −1 | 1.33 | 2.64E + 04 | 0.3 |
Loss of C5H12N2 + Di-Oxidation and Ketone Formation | C10H7NO4 | 206.045 | −1.1 | 1.45 | 1.48E + 04 | 0.2 |
Oxidation | C15H21N3O2 | 276.171 | 0.6 | 1.96 | 8.10E + 04 | 1 |
Loss of CH2 | C14H19N3O | 246.16 | −0.8 | 2.14 | 1.50E + 04 | 0.2 |
Oxidation | C15H21N3O2 | 276.171 | 2.6 | 2.17 | 4.40E + 05 | 5.5 |
Loss of CH2 | C14H19N3O | 246.161 | 1.6 | 2.52 | 1.46E + 05 | 1.8 |
Oxidation | C15H21N3O2 | 276.171 | 0.4 | 3.51 | 1.56E + 04 | 0.2 |
Oxidation & Ketone | C15H19N3O3 | 290.15 | 1.3 | 3.66 | 1.91E + 04 | 0.2 |
Oxidation | C15H21N3O2 | 276.171 | 1.4 | 3.68 | 7.90E + 04 | 1 |
Oxidation & Ketone | C15H19N3O3 | 290.151 | 2.5 | 3.85 | 2.27E + 03 | 0 |
Oxidation | C15H21N3O2 | 276.171 | 1 | 3.97 | 4.60E + 03 | 0.1 |
Oxidative Deamination to Ketone | C15H18N2O2 | 259.144 | 0.4 | 4.2 | 6.08E + 03 | 0.1 |
Oxidation | C15H21N3O2 | 276.171 | 1.3 | 4.21 | 6.32E + 04 | 0.8 |
Oxidative Deamination to Alcohol | C15H20N2O2 | 261.16 | 0.1 | 7.14 | 6.85E + 04 | 0.9 |
Putative Metabolite (MAO-A) | Formula | m/z | ppm | rt (min) | Peak Area | % Area |
Loss of NH + Desaturation | C15H18N2O | 243.15 | 1.5 | 4.2 | 4.15E + 03 | 0 |
Oxidative Deamination to Alcohol | C15C20N2O2 | 261.16 | 2.3 | 7.14 | 1.62E + 06 | 14.2 |