Auto-deconvolution and molecular networking of gas chromatography–mass spectrometry data
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Published:2020-11-09
Issue:2
Volume:39
Page:169-173
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ISSN:1087-0156
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Container-title:Nature Biotechnology
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language:en
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Short-container-title:Nat Biotechnol
Author:
Aksenov Alexander A., Laponogov Ivan, Zhang Zheng, Doran Sophie L. F., Belluomo Ilaria, Veselkov Dennis, Bittremieux WoutORCID, Nothias Louis FelixORCID, Nothias-Esposito Mélissa, Maloney Katherine N.ORCID, Misra Biswapriya B., Melnik Alexey V., Smirnov AleksandrORCID, Du Xiuxia, Jones Kenneth L., Dorrestein Kathleen, Panitchpakdi Morgan, Ernst Madeleine, van der Hooft Justin J. J.ORCID, Gonzalez MabelORCID, Carazzone Chiara, Amézquita Adolfo, Callewaert Chris, Morton James T.ORCID, Quinn Robert A.ORCID, Bouslimani Amina, Orio Andrea Albarracín, Petras Daniel, Smania Andrea M., Couvillion Sneha P., Burnet Meagan C., Nicora Carrie D.ORCID, Zink ErikaORCID, Metz Thomas O.ORCID, Artaev ViatcheslavORCID, Humston-Fulmer Elizabeth, Gregor Rachel, Meijler Michael M., Mizrahi ItzhakORCID, Eyal Stav, Anderson BrookeORCID, Dutton Rachel, Lugan Raphaël, Boulch Pauline Le, Guitton YannORCID, Prevost Stephanie, Poirier Audrey, Dervilly GaudORCID, Le Bizec BrunoORCID, Fait Aaron, Persi Noga Sikron, Song Chao, Gashu Kelem, Coras RoxanaORCID, Guma Monica, Manasson Julia, Scher Jose U., Barupal Dinesh Kumar, Alseekh SalehORCID, Fernie Alisdair R.ORCID, Mirnezami Reza, Vasiliou VasilisORCID, Schmid Robin, Borisov Roman S., Kulikova Larisa N., Knight RobORCID, Wang Mingxun, Hanna George B., Dorrestein Pieter C.ORCID, Veselkov KirillORCID
Publisher
Springer Science and Business Media LLC
Subject
Biomedical Engineering,Molecular Medicine,Applied Microbiology and Biotechnology,Bioengineering,Biotechnology
Reference20 articles.
1. Stein, S. Mass spectral reference libraries: an ever-expanding resource for chemical identification. Anal. Chem. 84, 7274–7282 (2012). 2. Aksenov, A. A., da Silva, R., Knight, R., Lopes, N. P. & Dorrestein, P. C. Global chemical analysis of biology by mass spectrometry. Nat. Rev. Chem. 1, 0054 (2017). 3. Smirnov, A. et al. ADAP-GC 4.0: application of clustering-assisted multivariate curve resolution to spectral deconvolution of gas chromatography–mass spectrometry metabolomics data. Anal. Chem. 91, 9069–9077 (2019). 4. Tsugawa, H. et al. MS-DIAL: data-independent MS/MS deconvolution for comprehensive metabolome analysis. Nat. Methods 12, 523–526 (2015). 5. Amigo, J. M., Skov, T., Bro, R., Coello, J. & Maspoch, S. Solving GC-MS problems with PARAFAC2. Trends Anal. Chem. 27, 714–725 (2008).
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