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Updated: Nov 29, 2025

The Identification of Sea Lamprey Pheromones Using Bioassay-Guided Fractionation
Published on: July 17, 2018
Applying NMR compound identification using NMRfilter to match predicted to experimental data
Stefan Kuhn1, Simon Colreavy-Donnelly1, Lucas Eliseu de Andrade Silva Quaresma2
1School of Computer Science and Informatics, De Montfort University, The Gateway, Leicester, LE1 9BH, UK.
Introduction:
Metabolomics is the approach of choice to guide the understanding of biological systems and its molecular intricacies, but compound identification is yet a bottleneck to be overcome.
Objective:
To assay the use of NMRfilter for confidence compound identification based on chemical shift predictions for different datasets.
Results:
We found comparable results using the lead tool COLMAR and NMRfilter. Then, we successfully assayed the use of HMBC to add confidence to the identified compounds.
Conclusions:
NMRfilter is currently under development to become a stand-alone interactive software for high-confidence NMR compound identification and this communication gathers part of its application capabilities.
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