Background: The annotation or identification of small molecules during metabolomics studies is a difficult task that requires robustness in the process and reporting of the results and methods applied. The Critical Assessment of Small Molecule Identification (CASMI) contest was designed as a medium for researchers to exchange ideas and best practices related to how best to annotate and structurally identify small molecules based on mass spectrometric data.
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Nikolić et al. (2016) studied this question.
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