The METLIN metabolite database is a repository of metabolite information and tandem mass spectrometry data designed to facilitate metabolite identification in metabolomics. We are especially grateful to Winnie Uritboonthai and Kevin Y. Cho for bringing it (in the last ten years) to its current stage of development.
METLIN also represents a data management system designed to assist in a broad array of metabolite research by providing comprehensive MS/MS metabolite data. Each metabolite is conveniently linked to outside resources such as the the Kyoto Encyclopedia of Genes and Genomes (KEGG) for further reference. MS/MS data is also available on many of the metabolites, the list is expanding continuously as more data is being collected. MS/MS Data is obtained on a 6510 Q-TOF (Agilent Technologies) operated in positive (ESI+) and negative (ESI-) electrospray ionization mode using four different collision energies (0, 10, 20 and 40V).