Formulas of High MW Unknown Compounds from Accurate Mass Differences and Ranking of Best Candidates from First Principles

The number of possible candidate formulas for high molecular weight unknown compounds (e.g., 7000–8000 Da for common 20-mer oligonucleotides) by high-resolution mass spectrometry is in the order of several hundred thousand even at the highest level of experimental accuracy. In demanding analytical a...

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Veröffentlicht in:	Analytical chemistry (Washington) 2024-07, Vol.96 (28), p.11216-11225
1. Verfasser:	Roussis, Stilianos G.
Format:	Artikel
Sprache:	eng
Schlagworte:	Atomic properties Chemical compounds First principles Impurities Mass spectrometry Mass spectroscopy Molecular weight Oligonucleotides Ranking Subtraction
Online-Zugang:	Volltext
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