Metabolomics is an emerging omics field that studies the small molecules from different biological samples obtained via different metabolomics techniques . Metabolomics experiments yield complex data due to chemical diversity, different analytical techniques, heterogeneous laboratory instruments, and subsequent data analysis . An untargeted metabolomics workflow for high-throughput data usually includes sampling and extraction of metabolites, (2) measurements of thousands of features using metabolomics instruments, (3) data processing, (4) statistical analysis, and (5) metabolite annotation and identification . Each workflow step can introduce artefacts to the whole procedure and affect reproducibility .