High-Throughput Screening Application for the Determination of Enantiomeric Excess Using ESI-MS

Abstract

Methods for the rapid determination of the enantiomeric excess (ee%) of organic substrates, especially for HTS, are often the “bottleneck” in a process. For this purpose, a new process of entirely automated sample preparation and the determination of ee% using electrospray ionization-mass spectrometry (ESI-MS) has been developed. Various substrates and new auxiliaries were explored to enhance the methodical scope. In combination with a very versatile liquid-handling system (HTS-PAL) and a comprehensive processing equipment, a multitude of standardized reaction vessels can be managed with the presented system. As an example of use, the ee% determination of I-phenylethanole via ESI-MS is compared to state-of-the-art GC analysis. In addition, a HTS suitable data processing network was constructed that allows postrun data manipulation and the automated data transfer to analysis and visualization templates with a maximum amount of automation.