Expert Insight: How to Identify Unknown Compounds in Body Fluids with Spectroscopic Techniques

Attend this free expert webinar to learn about the applications of spectroscopy in clinical research

10 Jul 2019


An upcoming SelectScience webinar will look at how to use a combination of statistical and spectroscopic techniques to identify unknowns in body fluids.

During the webinar on Wednesday, July 17, Professor Elaine Holmes, Head of the Division of Computational and Systems Medicine at Imperial College London, UK, and Professor of Computational Medicine at Murdoch University in Perth, Australia, and Dr. Markus Godejohann, senior application scientist at Bruker BioSpin, will explore the following applications:

Application of statistical spectroscopy in metabolite identification: A tool for clinical and nutritional studies

Metabolic profiling of biological samples provides a molecular window on multiple disease and physiological processes and is increasingly used in the characterization of multiple pathologies and therapeutic interventions including nutritional management. A major bottleneck in defining the metabolic consequences of biological processes is the lack of automated annotation and standardized methods for structure elucidation of candidate biomarkers. In this webinar, we draw together multiple methods to describe:

  • A robust integrated protocol for identification of molecular species derived from nuclear magnetic resonance (NMR) spectroscopy-based metabolic phenotyping studies.
  • A statistical pipeline that is efficient, cost-effective and offers increased chemical space coverage of the metabolome resulting in faster and more accurate assignment of NMR-generated biomarkers arising from metabolic phenotyping studies.

Application of hyphenated techniques to identify or elucidate the structures of unknowns in body fluids

The evaluation of spectroscopic data obtained from body fluids often points to signals of compounds that cannot be identified readily, e.g. by comparison to spectra in libraries or databases. If the signal belongs to a potential biomarker, it is of fundamental importance to solve the identity of this compound. In the webinar, Dr. Godejohann will discuss:

  • The use of statistical hetero correlation spectroscopy (SHY) to correlate molecular mass information to signals in the NMR spectrum of the sample of interest.
  • The chromatographic isolation and structure elucidation after acquiring NMR data.

Watch this webinar to learn:

  • How to use a combination of statistical and spectroscopic techniques to identify unknowns in body fluids
  • How to isolate unknowns with chromatographic techniques including a brief description of the hardware required
  • How to elucidate the structure of unknowns from spectroscopic data

Who should attend:

This webinar will interest scientists involved in the isolation, identification and structure elucidation of unknowns in body fluids. It is also relevant for academics and scientists working in the field of fast natural product de-replication and structure elucidation of unknowns.

The live webinar takes place in two sessions on Wednesday, July 17, 2019, at:

  • Session 1: 10:00 CEST/ 09:00 BST/ 04:00 EDT/ 01:00 PDT
  • Session 2: 17:00 CEST/16:00 BST/ 11:00 EDT/ 08:00 PDT

Scheduling conflict? No matter, register to receive an on-demand link to watch later>>