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MetaboShiny – interactive processing, analysis and annotation of direct infusion metabolomics data

By Joanna C. Wolthuis, Stefania Magnusdottir, Mia Pras-Raves, Maryam Moshiri, Judith J.M. Jans, Boudewijn Burgering, Saskia van Mil, Jeroen de Ridder

Posted 15 Aug 2019
bioRxiv DOI: 10.1101/734236

Direct infusion untargeted metabolomics, as mass-over-charge values and intensity of ions, allows for rapid insight into a sample’s metabolic activity. However, analysis is often complicated by the large array of detected m/z values and the difficulty to prioritize important m/z and simultaneously annotate their putative identities. To address this challenge, we developed MetaboShiny, a novel R/RShiny-based metabolomics package featuring data analysis, database- and formula-prediction-based annotation and visualization. To demonstrate this, we reproduce and further explore a MetaboLights metabolomics bioinformatics study on lung cancer patient urine samples. MetaboShiny enables rapid and rigorous analysis and interpretation of direct infusion untargeted metabolomics data. ### Competing Interest Statement Jeroen de Ridder is co-founder of Cyclomics BV.

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