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Spectral library

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3 results in Keywords: Spectral library

Analytical Chemistry

Efficient generation of open multi-stage fragmentation mass spectral libraries

Corinna Brungs, Robin Schmid, Steffen Heuckeroth, Aninda Mazumdar, Matúš Drexler, Pavel Šácha, Pieter C. Dorrestein, Daniel Petras, Louis-Felix Nothias, Václav Veverka, Radim Nencka, Zdeněk Kameník, Tomáš Pluskal

Version 3 posted 25 March 2025

2,261

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Analytical Chemistry

An in silico infrared spectral library of molecular ions for metabolite identification

Kas J. Houthuijs, Giel Berden, Udo F. H. Engelke, Vasuk Gautam, David S. Wishart, Ron A. Wevers, Jonathan Martens, Jos Oomens

Version 1 posted 09 March 2023

327

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Analytical Chemistry

The critical role that spectral libraries play in capturing the metabolomics community knowledge

Wout Bittremieux, Mingxun Wang, Pieter C. Dorrestein

Version 1 posted 11 October 2022

591

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