Article

IDSL.UFA assigns high confidence molecular formula annotations for untargeted LC/HRMS datasets in metabolomics and exposomics

2022-02-04

Abstract excerpt

Untargeted LC/HRMS assays in metabolomics and exposomics aim to characterize the small molecule chemical space in a biospecimen. To gain maximum biological insights from these datasets, LC/HRMS peaks should be annotated with chemical and functional information including molecular formula, structure, chemical class and metabolic pathways. Among these, molecular formulas may be assigned to LC/HRMS peaks through matc...

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Literature Corpus work: 58fc6698-903a-5881-b8d0-ba11db3c2a08
DOI: 10.1101/2022.02.02.478834

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