Thermo Fisher Scientific has introduced a workflow to overcome key analytical and informatics challenges in metabolomics research.
The workflow integrates application software - including Sieve 2.0 differential expression analysis and Mass Frontier 7.0 structural elucidation software - with high-resolution accurate mass (HRAM) instruments - including the Q Exactive high-performance benchtop quadrupole-Orbitrap LC-MS/MS and the Orbitrap Elite hybrid mass spectrometer.
Sieve software is an automated solution for label-free, semi-quantitative differential expression analysis of proteins, peptides and metabolites.
Using Sieve software to pre-filter the high-quality accurate mass data generated by Thermo Scientific mass spectrometers reduces the number of compounds that need to be identified, increasing the throughput of complex biomarker discovery experiments.
Sieve software has been expanded to address the most time-consuming challenges in metabolomics.
Advanced background subtraction removes chemical noise, eliminating false positives and increasing confidence in results.
Automated spectral interpretation simplifies the data obtained from LC-MS experiments, while streamlined data analyses and interpretation facilitate identification of promising putative components.
New statistical and visualisation tools speed up the analysis of differentially expressed components.
Mass Frontier software offers an MSn spectral data interpretation solution for identifying challenging differentially expressed components in metabolomics studies.
The software includes features including comprehensive spectral data and fragmentation-mechanism knowledge management that aid in confident structural elucidation.
Q Exactive benchtop LC-MS and Orbitrap Elite hybrid mass spectrometers with HRAM capability provide the resolution needed to fully resolve the numerous compounds found in biological matrices and the mass accuracy required to unambiguously identify compounds.
Thermo Fisher Scientific said these systems offer increased sensitivity and dynamic range for the detection of low abundance metabolites in complex samples.