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MAGMa
MAGMa is an online application for the automatic chemical annotation of mass spectrometry data.
13
mentions
3
contributors
Cite this software
What MAGMa can do for you
- Supports mass spectrometrists to chemically annotate fragmentation data
- Retrieves and ranks candidate molecules and substructures for parent and product ions
- Provides metabolic reaction rules to generate candidate molecules
- Provides a powerful user interface to interpret the results
Keywords
Programming languages
License
- Apache-2.0
</>Source code
Participating organisations
Mentions
Journal articles
6- 1.MAGMa-Based Mass Spectrum Annotation in CASMI 2014Author(s): Lars RidderPublished in Current Metabolomics by Bentham Science Publishers Ltd. in 2017, page: 18-2410.2174/2213235X04666160620100844
- 2.Enhanced Acylcarnitine Annotation in High-Resolution Mass Spectrometry Data: Fragmentation Analysis for the Classification and Annotation of AcylcarnitinesAuthor(s): Justin J. J. van der Hooft, Lars Ridder, Michael P. Barrett, Karl E. V. BurgessPublished in Frontiers in Bioengineering and Biotechnology by Frontiers Media SA in 201510.3389/fbioe.2015.00026
- 3.Automatic Compound Annotation from Mass Spectrometry Data Using MAGMaAuthor(s): Lars Ridder, Justin J. J. van der Hooft, Stefan VerhoevenPublished in Mass Spectrometry by The Mass Spectrometry Society of Japan in 2014, page: S0033-S003310.5702/massspectrometry.S0033
- 4.<i>In Silico</i> Prediction and Automatic LC–MS<sup><i>n</i></sup> Annotation of Green Tea Metabolites in UrineAuthor(s): Lars Ridder, Justin J. J. van der Hooft, Stefan Verhoeven, Ric C. H. de Vos, Jacques Vervoort, Raoul J. BinoPublished in Analytical Chemistry by American Chemical Society (ACS) in 2014, page: 4767-477410.1021/ac403875b
- 5.Automatic Chemical Structure Annotation of an LC–MS<sup><i>n</i></sup> Based Metabolic Profile from Green TeaAuthor(s): Lars Ridder, Justin J. J. van der Hooft, Stefan Verhoeven, Ric C. H. de Vos, Raoul J. Bino, Jacques VervoortPublished in Analytical Chemistry by American Chemical Society (ACS) in 2013, page: 6033-604010.1021/ac400861a
- 6.Substructure-based annotation of high-resolution multistage MS<i> <sup>n</sup> </i> spectral treesAuthor(s): Lars Ridder, Justin J. J. van der Hooft, Stefan Verhoeven, Ric C. H. de Vos, René van Schaik, Jacques VervoortPublished in Rapid Communications in Mass Spectrometry by Wiley in 2012, page: 2461-247110.1002/rcm.6364
Presentations
4- 1.Automatic Metabolite Annotation In Complex Lc-Ms(N ≥ 2) Data Using MagmaAuthor(s): Lars Ridder, Justin J.J. Van Der Hooft, Stefan Verhoeven, Raoul J. Bino, Jacques VervoortPublished by Zenodo in 201710.5281/zenodo.1043970
- 2.Computer assisted identification of green tea metabolites in human urinePublished in 2014
- 3.Netherlands Metabolomics Centre symposiumPublished in 2012
- 4.MAGMa, metabolite identification at the interface between metabolomics and chemoinformaticsPublished in 2012
Video recordings
1Testimonials
My group has had an excellent run of almost 1 year now running MAGMa as part of our cluster-based compound ID workflow - it is really a great program.
– Lee Ferguson, Department of Civil & Environmental Engineering, Duke University
Contributors
Contact person
Lars Ridder
Netherlands eScience Center
MS
Marijn Sanders
Netherlands eScience Center
Stefan Verhoeven
Netherlands eScience Center
Related projects
Chemical Informatics for Metabolite Identification and Biochemical Network Reconstruction
Chemical informatics for metabolite identification and biochemical network reconstruction
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