SmartPeak Automates Targeted and Quantitative Metabolomics Data Processing

Author:

Kutuzova Svetlana1ORCID,Colaianni Pasquale1ORCID,Röst Hannes234ORCID,Sachsenberg Timo56,Alka Oliver56,Kohlbacher Oliver5678ORCID,Burla Bo9,Torta Federico10,Schrübbers Lars1,Kristensen Mette1,Nielsen Lars1ORCID,Herrgård Markus J.111,McCloskey Douglas1

Affiliation:

1. Novo Nordisk Foundation Center for Biosustainability, Technical University of Denmark, Kemitorvet 220, Lyngby 2800, Denmark

2. Donnelly Centre for Cellular & Biomolecular Research, University of Toronto, 160 College Street, Toronto, Ontario M5S 3E1, Canada

3. Department of Molecular Genetics, University of Toronto, 1 King’s College Circle, Toronto M5S 1A8, Canada

4. Department of Computer Science, University of Toronto, 40 St. George Street, Toronto M5T 3A1, Canada

5. Applied Bioinformatics, Department of Computer Science, University of Tübingen, Geschwister-Scholl-Platz, Tübingen 72076, Germany

6. Institute for Bioinformatics and Medical Informatics, University of Tübingen, Tübingen 72074, Germany

7. Biomolecular Interactions, MPI for Developmental Biology, Tübingen 72076, Germany

8. Institute for Translational Bioinformatics, University Hospital Tübingen, Tübingen 72076, Germany

9. Singapore Lipidomics Incubator (SLING), Life Sciences Institute, National University of Singapore, 21 Lower Kent Ridge Road, Singapore 117456, Singapore

10. Singapore Lipidomics Incubator (SLING), Department of Biochemistry, Yong Loo Lin School of Medicine, National University of Singapore, 21 Lower Kent Ridge Road, Singapore 117597, Singapore

11. BioInnovation Institute, Ole Maaløes Vej 3, Copenhagen N 2830, Denmark

Funder

Life Sciences Institute

Novo Nordisk Fonden

National University of Singapore

Publisher

American Chemical Society (ACS)

Subject

Analytical Chemistry

Reference22 articles.

1. U.S. FDA. Analytical Procedures and Methods Validation for Drugs and Biologics Guidance for Industry; CDER, 2015; p 18.

2. US Food & Drug Administration; Others. Guidelines for the Validation of Chemical Methods for the FDA FVM Program; Department of Health & Human Services, 2015.

3. Evolution of gene knockout strains of E. coli reveal regulatory architectures governed by metabolism

4. Personalized Whole-Cell Kinetic Models of Metabolism for Discovery in Genomics and Pharmacodynamics

5. From targeted quantification to untargeted metabolomics: Why LC-high-resolution-MS will become a key instrument in clinical labs

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