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Category Text Publication
Reference Category Journals
DOI 10.1038/s41587-023-01690-2
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Title (Primary) Integrative analysis of multimodal mass spectrometry data in MZmine 3
Author 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.
Source Titel Nature Biotechnology
Year 2023
Department WANA
Volume 41
Issue 4
Page From 447
Page To 449
Language englisch
Topic T9 Healthy Planet
Keywords Data processing; Metabolomics

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.

Persistent UFZ Identifier
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