Annotation of all metabolites

[mar-garcia]

Try to annotate all metabolites detected in our method in order to delete noisy/background peaks in a first step (as well as to customize the processing parameters), and in a second one to reduce the dimension in the dataset getting only variable /metabolite (instead of 1 variable /signal, since each metabolite is associated >1 signal). This will able us to get a cleaner data set to submit for statistical analysis, and will help in the identification process.

References: Blaženović et al. Structure Annotation of All Mass Spectra in Untargeted Metabolomics. Anal Chem. 2019;91(3):2155-61 (https://www.ncbi.nlm.nih.gov/pubmed/30608141).