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Analytical Chemistry

Review

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

528

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Analytical Chemistry

Working Paper

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

287

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Agriculture and Food Chemistry

Working Paper

Prolonged 20 h heating of chicken meat in water at 75°C softens the meat, increases the levels of endogenous and degraded metabolites in the stock, but depletes reduced glutathione and glutamine

Yukari Ohta, Romanas Chaleckis, Madoka Katsumata, Koki Yokota, Sonoko Ayabe, Takayuki Oshima, Ken-ichi Kasuya

Version 1 posted 25 August 2022

376

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1

Citations

Analytical Chemistry

Working Paper

Environmental metabolomics characterization of modern stromatolites and annotation of ibhayipeptolides

George Neuhaus, Allegra Aron, Eric Isemonger, Daniel Petras, Samantha Waterworth, Luthando Madonsela, Emily Gentry, Xavier Siwe Noundou, Jarmo-Charles Kalinski, Alexandros Polyzois, Julius Habiyaremye, Margaret Redick, Jason Kwan, Rosemary Dorrington, Pieter Dorrestein, Kerry McPhail

Version 2 posted 17 April 2024

698

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Analytical Chemistry

Working Paper

A Taguchi Design of Experiments Approach for Untargeted Metabolomics Sample Preparation Optimization

Brianna M. Garcia, Goncalo J. Gouveia, Amanda O. Shaver, Ricardo M. Borges, I. Jonathan Amster, Arthur S. Edison, Franklin E. Leach III

Version 1 posted 07 November 2022

297

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Analytical Chemistry

Working Paper

Metabolite Identification Using Infrared Ion Spectroscopy – Novel Biomarkers for Pyridoxine-Dependent Epilepsy

Rianne E. van Outersterp, Udo F. H. Engelke, Jona Merx, Giel Berden, Mathias Paul, Thomas Thomulka, Albrecht Berkessel, Marleen C. D. G. Huigen, Leo A. J. Kluijtmans, Jasmin Mecinović, Floris P. J. T. Rutjes, Clara D.M. van Karnebeek, Ron A. Wevers, Thomas J. Boltje, Karlien L.M. Coene, Jonathan Martens, Jos Oomens

Version 1 posted 29 March 2021

368

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2

Citations

Analytical Chemistry

Working Paper

Validation of an LC-HRMS-based untargeted metabolomics analytical platform for a long-term clinical metabolomics study

Sietske Grijseels, Terje Vasskog, Pia Johansson Heinsvig, Torbjørn Myhre, terkel hansen, Marie Mardal

Version 1 posted 14 February 2024

260

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Analytical Chemistry

Working Paper

Combined LC-MS/MS feature grouping, statistical prioritization, and interactive networking in msFeaST

Kevin Mildau, Christoph Büschl, Jürgen Zanghellini, Justin J.J. van der Hooft

Version 1 posted 18 April 2024

277

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Refine Search

8 results in Untargeted Metabolomics in Keywords: Untargeted Metabolomics

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

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

Prolonged 20 h heating of chicken meat in water at 75°C softens the meat, increases the levels of endogenous and degraded metabolites in the stock, but depletes reduced glutathione and glutamine

Environmental metabolomics characterization of modern stromatolites and annotation of ibhayipeptolides

A Taguchi Design of Experiments Approach for Untargeted Metabolomics Sample Preparation Optimization

Metabolite Identification Using Infrared Ion Spectroscopy – Novel Biomarkers for Pyridoxine-Dependent Epilepsy

Validation of an LC-HRMS-based untargeted metabolomics analytical platform for a long-term clinical metabolomics study

Combined LC-MS/MS feature grouping, statistical prioritization, and interactive networking in msFeaST

8 results in Keywords: Untargeted Metabolomics