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Table 1 Mass spectrometry metabolite databases for identification of environmental exposures

From: Beyond genomics: understanding exposotypes through metabolomics

Database name Description URL
Human metabolome database (HMDB) 114,113 xenobiotic and endogenous metabolites with chemical, biochemical, and clinical information. [33]
Toxic exposome database (T3DB) 3767 toxic compounds, targets and gene expression data, part of the HMDB suite. [28]
METLIN 961,829 xenobiotic and endogenous metabolites with chemical information. Contains information from DSSTox. [34]
Exposome-Explorer 692 dietary and pollutant biomarkers, with concentration values measured from biospecimens with intra class correlation coefficients. [32]
Madison-Qingdao Metabolomics Consortium Database 20,300 xenobiotics and endogenous metabolites, with chemical information [35]
Drugbank 10,513 drug entries with drug target information, part of the HMDB suite [36]
PubChem 93,977,784 compounds, xenobiotic and endogenous metabolites but also peptides, and chemically altered macromolecules. Data is derived from hundreds of sources. [37]
CompTox Chemistry Dashboard 758,000 xenobiotics with chemical information compiled from multiple sources; PubChem, and US EPA’s DSSTox, ACToR, ToxCast, EDSP21, and CPCat. [38]