Simplifies the recognition of metabolites incorporating isotopic labels. isoMETLIN is searchable thanks to 13C, 15N, 2H, and 18O isotopologues based on accurate mass and also includes experimental tandem mass spectrometry (MS/MS) data for several hundred isotopically labeled metabolites that will ease the identification of isotopomers. It can assist extending flux modeling to liquid chromatography coupled mass spectrometry LC/MS analyses.
Department of Chemistry, Washington University in St. Louis, St. Louis, MO, USA; Departments of Genetics and Medicine, Washington University School of Medicine, St. Louis, MO, USA; Scripps Center for Metabolomics and Mass Spectrometry, The Scripps Research Institute, La Jolla, CA, USA
isoMETLIN funding source(s)
Supported by Ron Trolard and Krista Backiel at Cambridge Isotope Laboratories.