Skip to main content

Thank you for visiting nature.com. You are using a browser version with limited support for CSS. To obtain the best experience, we recommend you use a more up to date browser (or turn off compatibility mode in Internet Explorer). In the meantime, to ensure continued support, we are displaying the site without styles and JavaScript.

METLIN MS2 molecular standards database: a broad chemical and biological resource

Access options

Rent or Buy article

Get time limited or full article access on ReadCube.

from$8.99

All prices are NET prices.

Fig. 1: The METLIN MS2 database.

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

  1. 1.

    Guijas, C. et al. Anal. Chem. 90, 3156–3164 (2018).

    CAS  Article  Google Scholar 

  2. 2.

    Tautenhahn, R. et al. Nat. Biotechnol. 30, 826–828 (2012).

    CAS  Article  Google Scholar 

  3. 3.

    Kafader, J. O. et al. Nat. Methods 17, 391–394 (2020).

    CAS  Article  Google Scholar 

  4. 4.

    Benton, H. P., Wong, D. M., Trauger, S. A. & Siuzdak, G. Anal. Chem. 80, 6382–6389 (2008).

    CAS  Article  Google Scholar 

  5. 5.

    Flasch, M. et al. ACS Chem. Biol. 15, 970–981 (2020).

    CAS  Article  Google Scholar 

  6. 6.

    Xue, J. et al. Anal. Chem. 92, 6051–6059 (2020).

    CAS  Article  Google Scholar 

  7. 7.

    Quinn, R. A. et al. Nature 579, 123–129 (2020).

    CAS  Article  Google Scholar 

  8. 8.

    Clayton, T. A., Baker, D., Lindon, J. C., Everett, J. R. & Nicholson, J. K. Proc. Natl Acad. Sci. USA 106, 14728–14733 (2009).

    CAS  Article  Google Scholar 

  9. 9.

    Wang, M. et al. Nat. Biotechnol. 38, 23–26 (2020).

    CAS  Article  Google Scholar 

  10. 10.

    Wishart, D. S. et al. Nucleic Acids Res. 46, D608–D617 (2018). D1.

    CAS  Article  Google Scholar 

Download references

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

Affiliations

Authors

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

Correspondence to Gary Siuzdak.

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

Reprints and Permissions

About this article

Verify currency and authenticity via CrossMark

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

Download citation

Further reading

Search

Quick links

Nature Briefing

Sign up for the Nature Briefing newsletter — what matters in science, free to your inbox daily.

Get the most important science stories of the day, free in your inbox. Sign up for Nature Briefing