All-in-one software for compound identification from non-targeted workflows
MetaboScape® uses a unified workflow to process non-targeted analyses from Bruker’s ESI & MALDI Imaging instruments, simplifying the number of steps and rapidly pinpointing and identifying biomarkers.
MetaboScape® can be used across application areas, including discovery metabolomics, lipidomics, phenomics, foodomics, environmental and pharma and provides users with the flexibility to support workflows ranging from basic ID to advanced statistics.
MetaboScape®’s powerful T-ReX algorithm comprises retention time alignment, deisotoping and feature extraction to ensure robust data processing
Target compounds can be automatically annotated using user defined Analyte Lists
Unknown ID pipeline including library matching and in silico fragmentation to facilitate unknown ID
Visualize relevant information in complex data sets using supervised and non-supervised statistics, including PCA, t-test, ANOVA, PLS and bucket correlation analyses
Annotation Quality (AQ) scoring providing five indicators of data quality
Pathway mapping to set identified metabolites in a biological context, thereby turning data into knowledge
Identification of drug and xenobiotic metabolites using local metabolite prediction
Batch correction to offset sample effects in large sample cohorts
Time series plots to investigate changes in metabolites over time
Dedicated lipidomics annotation tools, including rule based annotation, 4D Kendrick mass defect plot and CCSPredict
To simplify the identification of knowns, MetaboScape® supports the MetaboBASE Personal Library, HMDB Metabolite Library, the Bruker Sumner MetaboBASE Plant Library (including CCS values for >130 compounds), as well as custom libraries
Customized data export to a file format suitable for import in GNPS (Global Natural Products Social Molecular Networking)
Client-server architecture to enable rapid data processing and multiple users to share methods and access shared datasets
Semi-targeted workflows in MetaboScape® go hand in hand with targeted workflows for absolute quantification using TASQ®