Journal article
SmartPeak Automates Targeted and Quantitative Metabolomics Data Processing
Novo Nordisk Foundation Center for Biosustainability, Technical University of Denmark1
Computational Biology, Novo Nordisk Foundation Center for Biosustainability, Technical University of Denmark2
iLoop, Translational Management, Novo Nordisk Foundation Center for Biosustainability, Technical University of Denmark3
University of Toronto4
University of Tübingen5
National University of Singapore6
Synthetic Biology Tools for Yeast, Novo Nordisk Foundation Center for Biosustainability, Technical University of Denmark7
Quantitative Modeling of Cell Metabolism, Novo Nordisk Foundation Center for Biosustainability, Technical University of Denmark8
Network Reconstruction in Silico Biology, Novo Nordisk Foundation Center for Biosustainability, Technical University of Denmark9
Technological advances in high-resolution mass spectrometry (MS) vastly increased the number of samples that can be processed in a life science experiment, as well as volume and complexity of the generated data. To address the bottleneck of high-throughput data processing, we present SmartPeak (https://github.com/AutoFlowResearch/SmartPeak), an application that encapsulates advanced algorithms to enable fast, accurate, and automated processing of capillary electrophoresis-, gas chromatography-, and liquid chromatography (LC)-MS(/MS) data and high-pressure LC data for targeted and semitargeted metabolomics, lipidomics, and fluxomics experiments.
The application allows for an approximate 100-fold reduction in the data processing time compared to manual processing while enhancing quality and reproducibility of the results.
Language: | English |
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Publisher: | American Chemical Society |
Year: | 2020 |
Pages: | 15968-15974 |
ISSN: | 15206882 , 00032700 and 15204782 |
Types: | Journal article |
DOI: | 10.1021/acs.analchem.0c03421 |
ORCIDs: | 0000-0002-0908-5747 , Colaianni, Pasquale Domenico , 0000-0003-3500-8152 , 0000-0003-1739-4598 , Nielsen, Lars , Schrübbers, Lars , Kristensen, Mette and Herrgård, Markus J |