Waters UNIFI Scientific Information System encompasses data acquisition, processing, visualization, reporting, and other tools within a networked laboratory environment. Prior MassChemSite 3.0, data providing from UNIFI specific instruments, like VION or the latest BioAccord LC-MS System. In this talk we will show how to configure and use a UNIFI connection to process your data in MassChemSite.
Waters UNIFI Scientific Information System encompasses data acquisition, processing, visualization, reporting, and other tools within a networked laboratory environment. Prior MassChemSite 3.0, data providing from UNIFI specific instruments, like VION or the latest BioAccord LC-MS System. In this talk we will show how to configure and use a UNIFI connection to process your data in MassChemSite.
In complicated chemical reactions, like synthesis of PROTACs, the accidental generation of undesired byproducts can occur even if the conditions are well controlled (i.e. the unexpected degradation of one of the products, the interaction of solvent, catalysts and impurities with reactants, etc.). Reaction Tracking workflow from MassChemSite can help to identify those undesired byproducts formed along the synthesis to let the chemist redress the reaction conditions and increase the yield of the final product. In this talk we will show the capabilities of MassChemSite to find byproducts in the reaction crude of PROTACs synthesis.
Forced degradation studies are aimed to foresee the possible degradants and impurities that can be formed during storage of the chemical under study. Regulatory agencies had been made efforts in the definition of protocols for stability testing, being one of them the “International Conference on Harmonization (ICH) guidelines, which does not just provide information on potential degradants, but also accounts the monitorization of the degradation pathways of chemicals. In this talk we will present the targeted and untargeted approaches of MassChemSite to detect the known degradants and identify new ones.
Late Stage Functionalization studies aims to synthetize chemical analogs without the need of using intermediate functional groups. In most cases, conditions to synthetize the desired product should be tuned and the analysis of all the obtained data can be quite time consuming. MassChemSite and WebChembase tandem offers a solution to speed up the process by automatizing the data processing and summarizing the extracted information. In this talk we will show an example of C-H late stage functionalization using a set of catalysts and solvents to synthesize halogenation analogs.