Details zur Publikation

Kategorie Textpublikation
Referenztyp Zeitschriften
DOI 10.1038/s41587-023-01690-2
Volltext Shareable Link
Titel (primär) Integrative analysis of multimodal mass spectrometry data in MZmine 3
Autor Schmid, R.; Heuckeroth, S.; Korf, A.; Smirnov, A.; Myers, O.; Dyrlund, T.S.; Bushuiev, R.; Murray, K.J.; Hoffmann, N.; Lu, M.; Sarvepalli, A.; Zhang, Z.; Fleischauer, M.; Dührkop, K.; Wesner, M.; Hoogstra, S.J.; Rudt, E.; Mokshyna, O.; Brungs, C.; Ponomarov, K.; Mutabdžija, L.; Damiani, T.; Pudney, C.J.; Earll, M.; Helmer, P.O.; Fallon, T.R.; Schulze, T. ORCID logo ; Rivas-Ubach, A.; Bilbao, A.; Richter, H.; Nothias, L.-F.; Wang, M.; Orešič, M.; Weng, J.-K.; Böcker, S.; Jeibmann, A.; Hayen, H.; Karst, U.; Dorrestein, P.C.; Petras, D.; Du, X.; Pluskal, T.
Quelle Nature Biotechnology
Erscheinungsjahr 2023
Department WANA
Band/Volume 41
Heft 4
Seite von 447
Seite bis 449
Sprache englisch
Topic T9 Healthy Planet
Supplements https://static-content.springer.com/esm/art%3A10.1038%2Fs41587-023-01690-2/MediaObjects/41587_2023_1690_MOESM1_ESM.pdf
https://static-content.springer.com/esm/art%3A10.1038%2Fs41587-023-01690-2/MediaObjects/41587_2023_1690_MOESM2_ESM.zip
Keywords Data processing; Metabolomics
Abstract

Innovation in mass spectrometry (MS) and the rapidly increasing throughput and sensitivity of MS instrumentation require adaptations and innovations in data processing tools. Here, we introduce MZmine 3, a scalable MS data analysis platform that supports hybrid datasets from various instrumental setups, including liquid and gas chromatography (LC and GC)–MS, ion mobility spectrometry (IMS)–MS and MS imaging. In particular, the integration of IMS–MS imaging and LC–IMS–MS datasets provides opportunities for spatial metabolomics analyses with increased annotation confidence.

dauerhafte UFZ-Verlinkung https://www.ufz.de/index.php?en=20939&ufzPublicationIdentifier=24212
Schmid, R., Heuckeroth, S., Korf, A., Smirnov, A., Myers, O., Dyrlund, T.S., Bushuiev, R., Murray, K.J., Hoffmann, N., Lu, M., Sarvepalli, A., Zhang, Z., Fleischauer, M., Dührkop, K., Wesner, M., Hoogstra, S.J., Rudt, E., Mokshyna, O., Brungs, C., Ponomarov, K., Mutabdžija, L., Damiani, T., Pudney, C.J., Earll, M., Helmer, P.O., Fallon, T.R., Schulze, T., Rivas-Ubach, A., Bilbao, A., Richter, H., Nothias, L.-F., Wang, M., Orešič, M., Weng, J.-K., Böcker, S., Jeibmann, A., Hayen, H., Karst, U., Dorrestein, P.C., Petras, D., Du, X., Pluskal, T. (2023):
Integrative analysis of multimodal mass spectrometry data in MZmine 3
Nat. Biotechnol. 41 (4), 447 - 449 10.1038/s41587-023-01690-2