Untargeted Metabolomics
Mass spectrometry based untargeted metabolomics using liquid chromatography coupled to mass spectrometry
This platform enables detection and relative quantitation of hydrophilic and semi hydrophilic metabolites. It results in detection of 1000 - 5000 features of which 120-700 metabolites are annotated. Annotation (“identification”) is performed by matching recorded spectral information (mass-to-charge ratio of different ions) and chromatographic information (retention time) to the exact mass and retention time present in-house database (a growing database presently containing information of more than 8000 compounds).
This platform enables detection of polyamines, amino acids, amino acid derivatives, nucleotides, nucleosides and their derivatives, saccharides, coenzymes and precursors (e.g. nicotinic acid, riboflavin, biotin), dipeptides, glutathione, plant and microorganisms’ specific secondary metabolites (flavonoids, alkaloids, phenol, tannins, aflatoxins etc.), neurotransmitters from different chemical groups, semi‐lipophilic compounds like bile acids, acyl-carnitines and saponins.
To increase the number of detected and annotated compounds the measurements are carried out in positive and negative ionization modes.
Untargeted metabolomics can focus on certain groups of compounds, pathways, classes.
Mass spectrometry-based untargeted metabolomics services for comprehensive untargeted detection and annotation of secondary and primary metabolites using single platform or combination of platforms. We perform the analysis using gas chromatography and liquid chromatography coupled to mass spectrometer of Orbitrap Type (from Thermo Fischer Scientific). This solution leads to enhances the annotation level.
Gas chromatography – TOF-Mass spectrometry based untargeted metabolomics
This platform for primary metabolism enables detection of about 70 ‒ 150 metabolites. More than 80% of the detected mass traces are annotated (i.e. match the database). amino acids, nucleotides, nucleosides, mono- and di-saccharides, phosphorylated saccharides, sugar alcohols, coenzymes, organic acids, some fatty acids, cholesterol and some other sterols from plants (campesterol, ß-sitosterol, stigmasterol) and fungi (fucosterol) can be detected, identified and relatively quantified in different samples.
GC-MS results in high coverage of TCA cycle, Glycolysis, Pentose Phosphate Metabolite, amino acids metabolism