Abstract
SmartPeak is an application that encapsulates advanced algorithms to enable fast, accurate, and automated processing of CE-, GC- and LC-MS(/MS) data, and HPLC data for targeted and semi-targeted metabolomics, lipidomics, and fluxomics experiments.
Highlights
Novel algorithms for retention time alignment, calibration curve fitting, and peak integration
Enables reproducibility by reducing operator bias and ensuring high QC/QA
Automated pipeline for high throughput targeted and/or quantitative metabolomics, lipidomics, and fluxomics data processing from multiple analytical instruments
Manually curated data set of LC-MS/MS, GC-MS, and HPLC integrated peaks for further algorithm development and benchmarking
Competing Interest Statement
The authors have declared no competing interest.
