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<strong>补充数据1</strong>：MetDNA1与KGMN（MetDNA2）之间的峰注释评估 <strong>补充数据2</strong>：46种标准混合物（46std_mix）及基于知识的代谢反应网络 <strong>补充数据3</strong>：46std_mix数据集的KGMN分析结果及验证结果 <strong>补充数据4</strong>：NIST尿液数据集的KGMN分析结果及验证结果 <strong>补充数据5</strong>：不同生物样本的KGMN分析结果 <strong>补充数据6</strong>：通过数据库挖掘得到的NIST尿液样本中反复出现的未知代谢物 <strong>补充数据7</strong>：KGMN中加合物、中性丢失及经验规则一览表