Using MetaboAnalyst 6.0 for exposomics data analysis – from LC-MS/MS spectra processing to dose response modeling and causal estimate v1
Year: 2026
Type: preprint
Abstract: Exposomics is an emerging field of research that aims to comprehensively investigate individuals’ environmental exposures and how these exposures relate to health outcomes. Liquid chromatography-tandem mass spectrometry (LC-MS/MS) is widely used in exposomics studies. MetaboAnalyst (https://www.metaboanalyst.ca/) is a widely used platform for statistical and functional analysis of metabolomics data. The recent MetaboAnalyst 6.0 release incorporates updates designed to address the unique analytical requirements arising from exposomics studies focusing on identification and characterization of exposures and their biological impacts. This protocol extends our 2022 Nature Protocol by providing step-by-step instructions on how to use MetaboAnalyst 6.0 for exposomics data analysis, including: LC-MS/MS spectra processing and compound identification (Stage 1); exposomics data processing and exploratory analysis (Stage 2); dose-response modeling to study metabolic responses to exposure levels (Stage 3); and leveraging known genetic associations for causal inference (Stage 4). We demonstrate Stages 1-3 using data from a recent blood exposomics study concerning electronic waste exposure. Stage 4 is illustrated through an investigation of the potential causal link between L-Isoleucine and type 2 diabetes. Stage 1 may take approximately two hours to complete depending on server load, and the remaining stages may be executed in a total of approximately 90 minutes.
Institution: McGill University
Language: English
Subfield: Molecular Biology
Domain: Life Sciences
Open Access status: green
OpenAlex ID: W7155531027