Results 261 to 270 of about 488,672 (293)

Using MetaboAnalyst 5.0 for LC–HRMS spectra processing, multi-omics integration and covariate adjustment of global metabolomics data

Nature Protocols, 2022
Zhiqiang Pang, Jessica Ewald, Le Chang
exaly  

Direct antimicrobial resistance prediction from clinical MALDI-TOF mass spectra using machine learning

Nature Medicine, 2022
Caroline, Aline Cuénod, Bastian Rieck
exaly  

Mass Spectra and NMR Spectra of Gangliosides Containing Fucose

1980
Two gangliosides containing fucose, prepared from minipig posterior root ganglion, were analyzed as methylated, methylated-reduced and methylated-reduced-trimethylsilylated derivatives by mass spectrometry and NMR spectroscopy and shown to have the following structures:Fuc alpha 1 leads to Hex beta 1 leads to 3HexNac (comes from NeuAc) beta 1 leads to ...
openaire   +2 more sources

17O NMR spectra of alpha-diesters.

Magnetic resonance in chemistry : MRC, 2006
17O NMR spectra of title compounds were measured at natural abundance in acetonitrile solutions. Intercarbonyl dihedral angles have been estimated by molecular mechanics, which show invariance except in one case. Because of this invariance, contrary to other alpha-dicarbonyl compounds, a correlation between chemical shifts and dihedral intercarbonyl ...
CERIONI, GIOVANNI, G. UCCHEDDU
openaire   +2 more sources

Oxygen K-edge X-ray Absorption Spectra

Chemical Reviews, 2020
Federica Frati, Myrtille O J Y Hunault, Frank M F De Groot   +2 more
exaly  

Oxygen-17 NMR Spectra

1986
Oxygen has a paradoxical position in analytical chemistry: it is present in many classes of compound, yet few methods can detect its presence directly (rather than by inference or difference). Its position in NMR analysis is also difficult, because the only naturally occurring magnetic isotope is 17O, with an abundance of 0.037% and an over all ...
openaire   +1 more source

Systematic classification of unknown metabolites using high-resolution fragmentation mass spectra

Nature Biotechnology, 2020
Kai Dührkop, Louis-Felix Nothias, Markus Fleischauer   +2 more
exaly  

NMR spectra of pyrimidines

Chemistry of Heterocyclic Compounds, 1978
O. P. Shkurko, V. P. Mamaev
openaire   +1 more source

Software: Simulating NMR spectra

Analytical Chemistry, 1997
Dallas L. Rabenstein, Andreas Kaerner
openaire   +1 more source

Interpretation of europium(III) spectra

Coordination Chemistry Reviews, 2015
Koen Binnemans
exaly