Generalized Tree Structure to Annotate Untargeted Metabolomics and Stable Isotope Tracing Data.
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DOI: 10.1021/acs.analchem.2c05810
Abstract: In untargeted metabolomics, multiple ions are often measured for each original metabolite, including isotopic forms and in-source modifications, such as adducts and fragments. Without prior knowledge of the chemical identity or formula, computational organization and… read more here.
Keywords: untargeted metabolomics; structure annotate; generalized tree; metabolomics stable ... See more keywords