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Accurate determination of molecular formulae using tandem mass spectrometry - Nature Methods

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Accurate determination of molecular formulae using tandem mass spectrometry - Nature Methods

We highlight the BUDDY software, which was developed to accurately determine the molecular formulae of unknown chemicals in mass spectrometry data. BUDDY is a bottom-up approach that shows superior annotation performance on reference spectra and experimental datasets. Incorporation of global peak annotation could enable BUDDY to refine formula annotations and reveal feature interrelationships.

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Accurate determination of molecular formulae using tandem mass spectrometry - Nature Methods

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Accurate determination of molecular formulae using tandem mass spectrometry - Nature Methods

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