Untargeted Metabolomics Solutions
Deeper and broader analysis for untargeted metabolomics
Untargeted metabolomics compares the relative abundances of all metabolites in multiple samples, often complex, without prior knowledge. Both the separation techniques and the high resolution accurate mass (HRAM) Orbitrap MS must be highly reproducible, have high sensitivity and be capable of measuring a wide dynamic range of compounds ranging from very hydrophilic to hydrophobic metabolites for comprehensive coverage.
Thermo Scientific metabolomics software is specially designed to mine the rich HRAM Orbitrap data to convert large data sets into meaningful insights.
Combined with high resolution IC or LC separations to reduce co-eluting species, the Thermo Scientific Q Exactive HF hybrid quadrupole-Orbitrap mass spectrometer further resolves co-eluting/isobaric species with leading Orbitrap HRAM analyses. With its wide dynamic range and high sensitivity, the Q Exactive MS is the industry leading solution for comprehensive untargeted metabolomics research.
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Experience the combined power of Orbitrap mass analyzer, linear ion trap, and quadrupole technology in the Thermo Scientific Orbitrap ID-X Tribrid mass spectrometer. Confident identification, structural elucidation, and characterization of small molecules occur with Compound Discoverer software, Mass Frontier special interpretation software, available mzCloud spectral libraries, and the mzLogic algorithm, while the system's AquireX Deep Characterization scanning mode enables you to easily find more distinguishable fragmentations.
GC-MS produces reproducible molecular fragmentation patterns, making it an integral tool for metabolite identification. Accurate mass electron ionization (EI) fragment patterns are also suitable for matching against widely available spectral libraries, while offering Orbitrap HRAM for more in-depth characterization.
Metabolomics data analysis consists of component extraction, quantitation, statistical analysis, compound identification and biological interpretation. Thermo Scientific Compound Discoverer small molecule identification software addresses the challenges of turning large and complex biological data sets into usable knowledge. Combined with powerful visualization tools, this software enables you to quickly find and identify the differences that matter.
Metabolite identification is by far the most challenging step in metabolomics research. mzCloud is a state of the art online mass spectral database. It features a freely searchable collection of HRAM spectra using a new third generation spectra correlation algorithm.