TABLE 1

Mass spectrometric data obtained on timolol and timolol metabolites M1 to M4


Compound

m/z

Identification

Measured Accurate Mass

Calculated Accurate Mass

Labile Protons
Da
Timolol 317.15 [M + H]+ = [C13H24O3N4S + H]+ 317.1647 317.1652 2
261.1 [M + H - C4H8]+ 261.1014 261.1021
244.1 [M + H - C4H11N]+ 244.0775 244.0756
188.1 [M + H - C7H14NOH]+ 188.0527 188.0493
M1 333.15 [M + H]+ = [C13H24O4N4S + H]+ 333.1596 333.1596 3
315.13 [M + H - H2O]+ *
259.1 [M + H - H2O - C4H8]+ 259.0867 259.0865
242.1 [M + H - H2O - C4H11N]+ *
186.0 [M + H - H2O - C7H14NOH]+ 186.0371 186.0337
M2 335.15 [M + H]+ = [C13H26O4N4S + H]+ 335.1741 335.1753 3 or 4
279.1 [M + H - C4H8]+ 279.1132 279.1127
206.1 [M + H - C7H14NOH]+ 206.0637 206.0599
M3 349.15 [M + H]+ = [C13H24O5N4S + H]+ 349.1566 349.1545 4
293.1 [M + H - C4H8]+ *
220.1 [M + H - C7H14NOH]+ 220.0437 220.0392
M4 315.15 [M + H]+ = [C13H22O3N4S + H]+ 315.1450 315.1491 2
259.1 [M + H - C4H8]+ *

186.0
[M + H - C7H14NOH]+
*


  • * Too low a count for exact mass measurement.