THE DEVELOPMENT OF THE SOFTWARE MODULE FOR THE IDENTIFICATION OF LOW-MOLECULAR COMPOUNDS BY MALDI MASS SPECTROMETRY
The article discusses the use of mass spectral data libraries for the analysis of chemical compounds using the MALDI mass spectrometry. The results of the development of a software module that allows the identification of low-molecular compounds based on the analysis of MALDI mass spectrometric data are presented. Software module was developed in visual programming environment «Lazarus» with using data access technology «ActiveX Data Objects». Storage of initial information is implemented using the Microsoft Access database management system. Module makes it possible to automate the data processing of MALDI mass spectrometry results by graphical analysis and scaling of mass spectrum. Identification of low-molecular compounds is realized of compare experimental peak spectrum mass with spectrum of chemical compound mass in database with given quantity of data error. For each chemical compound replaced in database is present chemical name, molecular weight, gross-formula and comment. If necessary, it is possible to update the database of chemical compounds with information about the components of interest. The result of the application of the program is to increase the efficiency of the process of identifying an unknown low-molecular chemical compound with a detailed presentation of information about the components of the mass spectrum.