Adding open spectral data to MassBank and PubChem using open source tools to support non-targeted exposomics of mixtures.

ABSTRACT: The term "exposome" is defined as a comprehensive study of life-course environmental exposures and the associated biological responses. Humans are exposed to many different chemicals, which can pose a major threat to the well-being of humanity. Targeted or non-targeted mass spectrometry techniques are widely used to identify and characterize various environmental stressors when linking exposures to human health. However, identification remains challenging due to the huge chemical space applicable to exposomics, combined with the lack of sufficient relevant entries in spectral libraries. Addressing these challenges requires cheminformatics tools and database resources to share curated open spectral data on chemicals to improve the identification of chemicals in exposomics studies. This arti

SUBMITTER: Elapavalore A 

PROVIDER: S-EPMC10648001 | biostudies-literature | 2023 Nov

REPOSITORIES: biostudies-literature