Development of control methods of production steps of 1,2,4-triazol-3-yl-thioacetate acids and salts, potential drugs, on the research and production stage is an important task. Determination of absorption, distribution, metabolism and excretion approaches require the creation analysis. The most universal and selective methods used in these cases is the HPLC-MS.
Purpose of this study was to optimize the mass spectrometric detection for HPLC-MS with the electrospray ionization of 2-((4-(2-methoxyphenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl)thio)acetic acid; 2-((5-(furan-2-yl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)acetic acid; 2-((5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl)thio)acetic acid; 2-((5-(morpholinomethyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)acetic acid; 2-((4-methyl-5-(morpholinomethyl)-4H-1,2,4-triazol-3-yl)thio)acetic acid; 2-((4-ethyl-5-(morpholinomethyl)-4H-1,2,4-triazol-3-yl)thio)acetic acid; 2-((5-(morpholinomethyl)-4H-1,2,4-triazol-3-yl)thio)acetic acid; 2-((5-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)acetic acid; morpholin-4-ium 2-((4-(2-methoxyphenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl)thio)acetate; piperidin-1-ium 2-((5-(furan-2-yl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)acetate; morpholin-4-ium 2-((5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl)thio)acetate; morpholin-4-ium 2-((5-(morpholinomethyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)acetate; morpholin-4-ium 2-((4-ethyl-5-(morpholinomethyl)-4H-1,2,4-triazol-3-yl)thio)acetate; morpholin-4-ium 2-((4-methyl-5-(morpholinomethyl)-4H-1,2,4-triazol-3-yl)thio)acetate; zinc 2-((5-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)acetate by the three factors full factorial design and polynomial regression equations.
Materials and methods. The work was carried out using the technique of direct sample introduction into the ion source on a liquid chromatograph Agilent 1260 Infinity HPLC System with a single quadrupole mass spectrometer Agilent 6120.
Results and discussion. The equations of polynomial regression dependence of the signal intensity mass detector on three important factors: the drying gas temperature, the fragmentation voltage, nebulizer gas pressure for the investigated substances. Based on the location of the maxima of the functions optimal values of these factors were obtained.
Conclusions. Selection of optimal conditions of mass spectrometric detection allows to maximize the signal of the detector and thus to increase the sensitivity and selectivity of determinations.