Publication Details |
| Category | Text Publication |
| Reference Category | Journals |
| DOI | 10.1038/s41587-023-01690-2 |
| Document | Shareable Link |
| 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.
; 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. |
| Journal | Nature Biotechnology |
| Year | 2023 |
| Department | WANA |
| Volume | 41 |
| Issue | 4 |
| Page From | 447 |
| Page To | 449 |
| Language | 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. |
| Persistent UFZ Identifier | 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 |
|