Automated Annotation of Untargeted All-Ion Fragmentation LC–MS Metabolomics Data with MetaboAnnotatoR

Author:

Graça Gonçalo1ORCID,Cai Yuheng1,Lau Chung-Ho E.2,Vorkas Panagiotis A.34,Lewis Matthew R.5ORCID,Want Elizabeth J.3ORCID,Herrington David6,Ebbels Timothy M. D.1ORCID

Affiliation:

1. Section of Bioinformatics, Division of Systems Medicine, Department of Metabolism, Digestion and Reproduction, Imperial College London, South Kensington Campus, Sir Alexander Fleming Building, London SW7 2AZ, U.K.

2. Department of Epidemiology and Biostatistics, School of Public Health, Imperial College London, London W2 1PG, U.K.

3. Section of Biomolecular Medicine, Division of Systems Medicine, Department of Metabolism, Digestion and Reproduction, Imperial College London, South Kensington Campus, Sir Alexander Fleming Building, London SW7 2AZ, U.K.

4. Institute of Applied Biosciences, Centre for Research and Technology Hellas, Thessaloniki 57001, Greece

5. Section of Bioanalytical Chemistry and National Phenome Centre, Division of Systems Medicine, Department of Metabolism, Digestion and Reproduction, Imperial College London, Hammersmith Campus, IRDB Building, London W12 0NN, U.K.

6. Section on Cardiovascular Medicine, Wake Forest School of Medicine, Winston-Salem, North Carolina 27157, United States

Funder

Imperial College London

FP7 Health

National Heart, Lung, and Blood Institute

National Institute for Health Research

Biotechnology and Biological Sciences Research Council

Imperial College Healthcare NHS Trust

Publisher

American Chemical Society (ACS)

Subject

Analytical Chemistry

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