Ontology highlight
ABSTRACT:
SUBMITTER: Cooper BT
PROVIDER: S-EPMC7299168 | biostudies-literature | 2019 Nov
REPOSITORIES: biostudies-literature
Analytical chemistry 20191022 21
Metabolomics has a critical need for better tools for mass spectral identification. Common metabolites may be identified by searching libraries of tandem mass spectra, which offers important advantages over other approaches to identification. But tandem libraries are not nearly complete enough to represent the full molecular diversity present in complex biological samples. We present a novel hybrid search method that can help identify metabolites not in the library by similarity to compounds tha ...[more]