Elemental composition determination based on MSn.
Bioinformatics (2011)
- PubMed: 21757467
Available from
Piotr Kasper's profile on Mendeley.
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Abstract
Identification of metabolites is essential for its use as biomarkers, for research in systems biology and for drug discovery. The first step before a structure can be elucidated is to determine its elemental composition. High-resolution mass spectrometry, which provides the exact mass, together with common constraint rules, for rejecting false proposed elemental compositions, cannot always provide one unique elemental composition solution.
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