2026-10-06T18:37:36Z https://api.figshare.com/v2/oai

oai:figshare.com:article/34034070 2026-09-30T17:58:09Z category_31820 category_31619 category_31817 category_33317 category_33935 portal_1110 item_type_3 month_year_09_2026

Curated Chemicals Reported in Urine Biomonitoring Studies Using Non-Targeted Analyses (NTA) Heather Whitehead (25144911) Troy Ferland (23919060) Anna Boatman (23884686) Analytical chemistry Toxicology (incl. clinical toxicology) Chemical sciences Health and ecological risk assessment Public health Cheminformatics High-resolution mass spectrometry (HRMS) Exposure science NTA Non-targeted analysis Biomonitoring Urine Chemical Exposure CIRI ULRI Safety science Safety research Environmental health <table><tr><td><p dir="ltr">Accurate exposure assessment depends on comprehensive information regarding chemical occurrence and measured concentrations in human biospecimens, which are traditionally generated using targeted approaches. Although these methods provide high-quality qualitative and quantitative data, they are inherently limited to relatively small sets of predefined chemicals and known metabolites. In contrast, non-targeted analysis (NTA) and suspect screening approaches enable substantially broader chemical characterization, providing opportunities to elucidate complex human exposure profiles. Our objectives with this work were to collect data on chemicals reported in human urine biomonitoring media using NTA methods and to harmonize this information into a database. We conducted a literature search and identified 50 relevant publications. For each publication, we manually extracted structural information for chemicals detected in consumer products or their extracts, along with metadata including chromatographic methods and type of consumer product sampled. We then mapped reported chemical identifiers to unambiguous identifiers and harmonized the extracted data into a machine-readable format. A total of 3,733 chemicals were reported across the 50 publications. Of these, 2,587 were able to be mapped to high-confidence chemical identifiers, encompassing 1,783 unique chemicals. An additional 1,146 reported features were unable to be initially mapped and are not shown . Here, we provide the curated dataset of chemicals reported in peer-reviewed NTA studies of human urine biomonitoring media alongside associated metadata.</p></td></tr></table><p></p> 2026-09-30T17:58:09Z Dataset Dataset 10.60752/102376.34034070.v1 https://figshare.com/articles/dataset/Curated_Chemicals_Reported_in_Urine_Biomonitoring_Studies_Using_Non-Targeted_Analyses_NTA_/34034070 CC BY-SA 4.0