New Generation of Software Tools for the Identification of Compounds

Addressing the "Identity Crisis" in Small Molecule Compound Identification isn’t easy. Determining the chemical structure of the majority of compounds "identified" in a typical untargeted analysis remains a stubborn challenge and a persistent logjam, holding up important progress in many fields including metabolomics, metabolism studies, contaminant analysis, and extractables & leachables identification.

In this on-demand symposia, you will learn about how you can use Thermo Scientific Mass Frontier software and an integrated software framework to translate high quality mass spectra into more confidently-assigned small molecule structures. Leveraging this fundamental new approach to untargeted small molecule analysis while also involving the Orbitrap ID-X mass spectrometer partnered with powerful new data acquisition strategies to transform small molecule characterization and identification.

About the presenter

Dr. Robert Mistrik, CEO & Founder of HighChem

Dr. Robert Mistrik, CEO & Founder of HighChem

Robert Mistrik, HighChem, earned a master’s degree in chemistry from the Slovak Technical University, Bratislava, Slovakia and a Ph.D. from the University of Vienna, Austria. He held a postdoctoral position at the National Institute of Standards and Technology (NIST), Gaithersburg, MD, USA. He is the creator of Mass Frontier, a software for processing and interpreting mass spectral data in which the spectral tree concept was introduced. In 2009, he was awarded the Head of the Year prize, a national award for exceptional achievements in science and technology. Currently, he is leading the m/z Cloud initiative that is a collaborative effort with Thermo Fisher Scientific to build a comprehensive spectral trees library for identification, confirmation, and quantification of thousands of compounds. The High-Resolution Accurate-Mass MS/MS Spectral Libraries for use with Q Exactive Quadrupole-Orbitrap Mass Spectrometer systems can be continually updated from the ever expanding mzCloud online repository and customized with lab-specific compounds and spectra.

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