Structural elucidation tools to enhance organic synthesis productivity

66th ASMS Conference on Mass Spectrometry and Allied Topics, San Diego (United States of America) … 06 June 2018 


The majority of organic synthesis workflows end up with the synthesis of at least few milligrams of pure compound, which structure is corroborated by Nuclear Magnetic Resonance spectroscopy.  Therefore, it needs first to use relatively large quantities of initial materials and purify the reaction crude before knowing if the desired compound has been obtained. The chemist uses LCMS prior purification to identify if a peak with the expected mass was formed. Nowadays there are Mass Spectrometry techniques that with the aid of computational algorithms can determine if the desired compound was obtained, as well as if there were other interesting compounds formed with minimal amount of sample and without the need of purification, making the synthetic process more time/cost effective.