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MetaboScape is providing a new layer of insight into Metabolomics

The metabolome is the final manifestation of the biochemical pathways that govern life. Ultimately, temporal and spatial changes in the identity and levels of thousands of metabolites reflect the final outcome (phenotype) of interactions at the genomic, transcriptomic and proteomic levels. Thus, studying the metabolome is the cornerstone to gain deeper insights.

The aim of discovery metabolomics is the global profiling of small molecule biomarkers that are characteristic for a particular physiological state and that change in response to internal or external perturbations. A major requirement is to quickly pinpoint and identify compounds that change as a result of perturbation or disease, and use pathway mapping to set them in a biological context. By enabling this workflow MetaboScape turns complementary data from Brukers LC-QTOF-MS/MS, GC-APCI-QTOF-MS and MRMS into knowledge.

Together with Bruker Compass® TASQTM software, both targeted validation and non-targeted experiments are  supported. Get twice the answers by performing biochemical pathway driven targeted analysis on the same data set used for a parallel discovery workflow. 

Deeper insights by combining non-targeted and targeted metabolomics workflows
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Comprehensive LC-QTOF-MS data evaluation workflow for discovery Metabolomics

Make the most of your data via Time aligned Region complete eXtraction (T-ReX 3D). By addressing the “missing value problem “, this parameter-free retention time alignment and region complete feature extraction algorithm increases the analyst's confidence in statistical analysis.

Compound identification is the basis for the biological interpretation of observed changes in metabolite profiles. Boost confidence in compound identification by automatically matching retention time, accurate mass, isotopic pattern information, and MS/MS spectral library spectra according to user definable threshold levels and graphical representation of the achieved “Annotation Quality” scoring . MetaboScape queries runs on local PCs, supporting complementary Bruker HMDB Metabolite Library, Bruker MetaboBASE Personal Library, Bruker MetaboBASE Plant Library, as well as custom libraries.
Seamlessly annotate unknown analytes via automated formula generation and MetFrag in-silico fragmentation of structure candidates. Understand the biological context via pathway mapping.

DI-MRMS ‘MetaboTyping’

Break new ground with the LC free MRMS workflow which provides higher sample throughput by omitting time consuming chromatography in phenomics research. Access compounds not readily detectable by LC-MS analysis and simultaneously analyze known and unknown metabolites.
Powerful data extraction by T-ReX 2D in MetaboScape provides confidence in automatic annotation by mass resolution >1 million; <0.2 ppm mass accuracy and isotopic fine structure fidelity.

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