Supplementary Data - Metabolite annotation from knowns to unknowns through knowledge-guided multi-layer network

<strong>Supplementary data 1</strong>: Peak annotation evaluation between MetDNA1 and KGMN (MetDNA2) <strong>Supplementary data 2</strong>: 46 standard mixture (46std_mix) and the knowledge-based metabolic reaction network <strong>Supplementary data 3</strong>: KGMN results of 46std_mix data set and validation results <strong>Supplementary data 4</strong>: KGMN results of NIST urine data sets and validation results <strong>Supplementary data 5</strong>: KGMN results of different biological samples <strong>Supplementary data 6</strong>: Recurrent unknowns of NIST urine via repository-mining <strong>Supplementary data 7</strong>: Table of adducts, neutral losses, empirical rules in KGMN