Article

Evaluating Retention Index Score Assumptions to Refine GC-MS Metabolite Identification

2023-01-27

Abstract excerpt

<h4>ABSTRACT</h4> As metabolomics grows into a high-throughput and high demand research field, current metrics for the identification of small molecules in GC-MS still require manual verification. Though steps have been taken to improve scoring metrics by combining spectral similarity (SS) and retention index (RI), the problem persists. A large body of literature has analyzed and refined SS scores, but few studie...

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Literature Corpus work: 875c7ead-1817-51e7-a515-cb1f6c0f5614
DOI: 10.1101/2023.01.26.525730

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