This is a preview of subscription content, access via your institution
Relevant articles
Open Access articles citing this article.
-
A spectroscopic test suggests that fragment ion structure annotations in MS/MS libraries are frequently incorrect
Communications Chemistry Open Access 14 February 2024
-
Gut microbiota affects the estrus return of sows by regulating the metabolism of sex steroid hormones
Journal of Animal Science and Biotechnology Open Access 20 December 2023
-
New insight of metabolomics in ocular diseases in the context of 3P medicine
EPMA Journal Open Access 17 February 2023
Access options
Access Nature and 54 other Nature Portfolio journals
Get Nature+, our best-value online-access subscription
$29.99 / 30 days
cancel any time
Subscribe to this journal
Receive 12 print issues and online access
$259.00 per year
only $21.58 per issue
Buy this article
- Purchase on Springer Link
- Instant access to full article PDF
Prices may be subject to local taxes which are calculated during checkout
Data availability
The data in the METLIN database are available at http://metlin.scripps.edu. The data in other databases mentioned in this study were obtained from their websites (accessed in February 2020) or published papers: MoNA (https://mona.fiehnlab.ucdavis.edu/), mzCloud (https://www.mzcloud.org/), GNPS (https://gnps.ucsd.edu/)9, HMDB (https://hmdb.ca/)10 and NIST 17 (https://chemdata.nist.gov/).
References
Guijas, C. et al. Anal. Chem. 90, 3156–3164 (2018).
Tautenhahn, R. et al. Nat. Biotechnol. 30, 826–828 (2012).
Kafader, J. O. et al. Nat. Methods 17, 391–394 (2020).
Benton, H. P., Wong, D. M., Trauger, S. A. & Siuzdak, G. Anal. Chem. 80, 6382–6389 (2008).
Flasch, M. et al. ACS Chem. Biol. 15, 970–981 (2020).
Xue, J. et al. Anal. Chem. 92, 6051–6059 (2020).
Quinn, R. A. et al. Nature 579, 123–129 (2020).
Clayton, T. A., Baker, D., Lindon, J. C., Everett, J. R. & Nicholson, J. K. Proc. Natl Acad. Sci. USA 106, 14728–14733 (2009).
Wang, M. et al. Nat. Biotechnol. 38, 23–26 (2020).
Wishart, D. S. et al. Nucleic Acids Res. 46, D608–D617 (2018). D1.
Acknowledgements
This research was partially funded by US National Institutes of Health grants R35 GM130385 (G.S.), P30 MH062261 (G.S.), P01 DA026146 (G.S.) and U01 CA235493 (G.S.) and by Ecosystems and Networks Integrated with Genes and Molecular Assemblies (ENIGMA), a Scientific Focus Area Program at Lawrence Berkeley National Laboratory for the US Department of Energy, Office of Science, Office of Biological and Environmental Research, under contract number DE-AC02-05CH11231 (G.S.).
Author information
Authors and Affiliations
Contributions
J.X., C.G., H.P.B., B.W. and G.S. contributed to data collection, analysis, and manuscript writing. J.X. and C.G. share first authorship.
Corresponding author
Ethics declarations
Competing interests
The authors declare no competing interests.
Additional information
Editorial note: This article has been peer reviewed.
Source data
Source Data Fig. 1
Statistical Source Data
Rights and permissions
About this article
Cite this article
Xue, J., Guijas, C., Benton, H.P. et al. METLIN MS2 molecular standards database: a broad chemical and biological resource. Nat Methods 17, 953–954 (2020). https://doi.org/10.1038/s41592-020-0942-5
Published:
Issue Date:
DOI: https://doi.org/10.1038/s41592-020-0942-5
This article is cited by
-
A spectroscopic test suggests that fragment ion structure annotations in MS/MS libraries are frequently incorrect
Communications Chemistry (2024)
-
Clinical advances in analytical profiling of signature lipids: implications for severe non-communicable and neurodegenerative diseases
Metabolomics (2024)
-
Molecular insights into sex-specific metabolic alterations in Alzheimer’s mouse brain using multi-omics approach
Alzheimer's Research & Therapy (2023)
-
Gut microbiota affects the estrus return of sows by regulating the metabolism of sex steroid hormones
Journal of Animal Science and Biotechnology (2023)
-
BUDDY: molecular formula discovery via bottom-up MS/MS interrogation
Nature Methods (2023)