Metabolomics Data Processing Using the Asari Toolkit

Asari is a software tool for metabolomics data processing, which is designed from the ground up to address issues in reproducibility, performance and interoperability by introducing new algorithms and data structures. It is significantly faster than other tools and offers qualities that are suitable for large-scale metabolomic and exposomic analyses. The reusable data structures and modular libraries enabled the rapid development of a full-scale pipeline that includes QA/QC, MS/MS integration, annotation, and extension to untargeted stable isotope tracing data. This chapter provides an overview of the key concepts and designs in Asari, step-by-step applications to metabolomics data processing and annotation, and resources related to both LC-MS and GC-MS data.