Metabolite Analysis

In the field of metabolomics a variety of analytical systems are in use, most prominently mass spectrometry and NMR based systems. At the FGCZ we offer currently the following systems:

UPLC-ESI-MS system consisting of Agilent 1100 CapLC system and a Waters Micromass Q-TOF Ultima hybrid high resolution mass spectrometer

By the use of ultra high performance capillary columns at elevated temperatures (60°), we can achieve a high chromatgraphic resolution at flow rates enabling the unsplitted transfer of the effluent to the MS and thus a high analytical sensitivty. Using a unique feature of the Q-TOF system (aquisition of full scan mass spectra in the MS to the E mode) and a lock mass, we may aquire in one LC-MS run (PI or NI mode) two LC-MS chromatograms, one of the molecular ions and one of the fragmented molecular ions, both with a mass accuracy between 3 and 10ppm (depending on the molecular mass). From the two chromatographic traces we can derive retention times, quantitative information, as well as an exact mass at an accuracy which enables in combination with the isotopic abundance ratios and the fragmentation patterns the assignement of a molecular formula or chemical identity for each detected metabolite.

This system may be used for untargeted as well as targeted metabolome analyses. Currently we have protocols to support the analysis of small polar molecules and lipids on this system.

ESI-FTMS systems consisting of LTQ-ICR-FTMS and LTQ-Orbitrap hybrid high resolution mass spectrometers

This systems may be used mainly for the direct infusion of off line fractionated samples or samples of reduced metabolite complexity.
(Consult the subsection Exact Mass Measurement for more information and an example)

Support Modes

Projects are supported in User lab and Analytical Service mode.

Contacts

Endre Laczko