Computational Expansion of High-Resolution-MSn Spectral Libraries

Commonly, in MS-based untargeted metabolomics, some metabolites cannot be confidently identified due to ambiguities in resolving isobars and structurally similar species. To address this, analytical techniques beyond traditional MS2 analysis, such as MSn fragmentation, can be applied to probe metabo...

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Veröffentlicht in:	Analytical chemistry (Washington) 2023-11, Vol.95 (47), p.17284-17291
Hauptverfasser:	Lieng, Brandon Y, Quaile, Andrew T, Domingo-Almenara, Xavier, Röst, Hannes L, Montenegro-Burke, J Rafael
Format:	Artikel
Sprache:	eng
Schlagworte:	Computer applications Fragmentation High resolution Ions Isobars Libraries Metabolites Metabolomics Precursors Spectra
Online-Zugang:	Volltext
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