The DOI matches its Crossref record; 4 of the 4 references it cites were found in a registry or an index.
Ion mobility collision cross-section atlas for known and unknown metabolite annotation in untargeted metabolomics
Open accessAbstract
The metabolome includes not just known but also unknown metabolites; however, metabolite annotation remains the bottleneck in untargeted metabolomics. Ion mobility – mass spectrometry (IM-MS) has emerged as a promising technology by providing multi-dimensional characterizations of metabolites. Here, we curate an ion mobility CCS atlas, namely AllCCS, and develop an integrated strategy for metabolite annotation using known or unknown chemical structures. The AllCCS atlas covers vast chemical structures with >5000 experimental CCS records and ~12 million calculated CCS values for >1.6 million small molecules. We demonstrate the high accuracy and wide applicability of AllCCS with medium relative errors of 0.5–2% for a broad spectrum of small molecules. AllCCS combined with in silico MS/MS spectra facilitates multi-dimensional match and substantially improves the accuracy and coverage of both known and unknown metabolite annotation from biological samples. Together, AllCCS is a versatile resource that enables confident metabolite annotation, revealing comprehensive chemical and metabolic insights towards biological processes.
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DrugBank 5.0: a major update to the DrugBank database for 2018
Wishart, D. S., Feunang, Y. D., Guo, A. C., Lo, E. J., Marcu, A., Grant, J. R., Sajed, T., Johnson, D., Li, C., Sayeeda, Z., et al. (2018) · Nucleic Acids Research · doi:10.1093/nar/gkx1037 · Cited by 8,404
Identification of bioactive metabolites using activity metabolomics
Rinschen, M. M., Ivanisevic, J., Giera, M., & Siuzdak, G. (2019) · Nature Reviews Molecular Cell Biology · doi:10.1038/s41580-019-0108-4 · Cited by 1,008
Recommendations for reporting ion mobility Mass Spectrometry measurements
Gabelica, V., Shvartsburg, A. A., Afonso, C., Barran, P., Benesch, J. L. P., Bleiholder, C., Bowers, M. T., Bilbao, A., Bush, M. F., Campbell, J. L., et al. (2019) · Mass Spectrometry Reviews · doi:10.1002/mas.21585 · Cited by 493
Mass spectrometry searches using MASST
Wang, M., Jarmusch, A. K., Vargas, F., Aksenov, A. A., Gauglitz, J. M., Weldon, K., Petras, D., da Silva, R., Quinn, R., Melnik, A. V., et al. (2020) · Nature Biotechnology · doi:10.1038/s41587-019-0375-9 · Cited by 281
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DrugBank 6.0: the DrugBank Knowledgebase for 2024
Knox, C., Wilson, M., Klinger, C. M., Franklin, M., Oler, E., Wilson, A., Pon, A., Cox, J., Chin, N. E. (., Strawbridge, S. A., et al. (2024) · Nucleic Acids Research · doi:10.1093/nar/gkad976 · Cited by 1,727
Self-citationMetabolomics Reveal Nanoplastic-Induced Mitochondrial Damage in Human Liver and Lung Cells
Lin, S., Zhang, H., Wang, C., Su, X.-L., Song, Y., Wu, P., Yang, Z., Wong, M.-H., Cai, Z., & Zheng, C. (2022) · Environmental Science & Technology · doi:10.1021/acs.est.2c03980 · Cited by 391
Zhou, Z., Luo, M., Zhang, H., Yin, Y., Cai, Y., & Zhu, Z.-J. (2022) · Nature Communications · doi:10.1038/s41467-022-34537-6 · Cited by 339
Self-citationShen, S., Zhan, C., Yang, C., Fernie, A. R., & Luo, J. (2023) · Molecular Plant · doi:10.1016/j.molp.2022.09.007 · Cited by 331
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Metadata
- Authors
- Zhou, Z., Luo, M., Chen, X., Yin, Y., Xiong, X., Wang, R., & Zhu, Z.-J.
- Venue
- Nature Communications
- Published
- 2020-08-28
- Volume
- 11
- Issue
- 1
- Pages
- 4334-4334
- ISSN
- 2041-1723 (ISSN-L)
- OpenAlex
- W3082061703
- Cited by
- 290
- References
- 4
- FWCI
- 11.82
- Type
- journal article
- Language
- en
- Open access
- gold
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- Zhou, Z., Luo, M., Chen, X., Yin, Y., Xiong, X., Wang, R., & Zhu, Z.-J. (2020). Ion mobility collision cross-section atlas for known and unknown metabolite annotation in untargeted metabolomics. Nature Communications. https://doi.org/10.1038/s41467-020-18171-8
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Contains information from the Semantic Scholar Academic Graph Datasets, made available under the ODC Attribution License (ODC-BY 1.0).
Semantic Scholar’s data is described in: Kinney, R., et al. (2023). The Semantic Scholar Open Data Platform. arXiv:2301.10140.
