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The critical role that spectral libraries play in capturing the metabolomics community knowledge

  • Published:2022-11-19 Issue:12 Volume:18 Page:
  • ISSN:1573-3890
  • Container-title:Metabolomics
  • language:en
  • Short-container-title:Metabolomics

Author:

Bittremieux Wout,Wang Mingxun,Dorrestein Pieter C.

Funder

BBSRC-NSF

National Institutes of Health

Publisher

Springer Science and Business Media LLC

Subject

Clinical Biochemistry,Biochemistry,Endocrinology, Diabetes and Metabolism

Reference108 articles.

1. Aksenov, A. A., da Silva, R., Knight, R., Lopes, N. P., & Dorrestein, P. C. (2017). Global chemical analysis of biology by mass spectrometry. Nature Reviews Chemistry, 1(7), 0054. https://doi.org/10.1038/s41570-017-0054

2. Alka, O., Shanthamoorthy, P., Witting, M., Kleigrewe, K., Kohlbacher, O., & Röst, H. L. (2022). DIAMetAlyzer allows automated false-discovery rate-controlled analysis for data-independent acquisition in metabolomics. Nature Communications, 13(1), 1347. https://doi.org/10.1038/s41467-022-29006-z

3. Aron, A. T., Gentry, E. C., McPhail, K. L., Nothias, L.-F., Nothias-Esposito, M., Bouslimani, A., Petras, D., Gauglitz, J. M., Sikora, N., Vargas, F., van der Hooft, J. J. J., Ernst, M., Kang, K. B., Aceves, C. M., Caraballo-Rodríguez, A. M., Koester, I., Weldon, K. C., Bertrand, S., Roullier, C., & Dorrestein, P. C. (2020). Reproducible molecular networking of untargeted mass spectrometry data using GNPS. Nature Protocols, 15(6), 1954–1991. https://doi.org/10.1038/s41596-020-0317-5

4. Bittremieux, W., Avalon, N. E., Thomas, S. P., Kakhkhorov, S. A., Aksenov, A. A., Gomes, P. W. P., Aceves, C. M., Caraballo Rodriguez, A. M., Gauglitz, J. M., Gerwick, W. H., Jarmusch, A. K., Kaddurah-Daouk, R. F., Kang, K. B., Kim, H. W., Kondic, T., Mannochio-Russo, H., Meehan, M. J., Melnik, A., Nothias, L.-F., & Dorrestein, P. C. (2022a). Open access repository-scale propagated nearest neighbor suspect spectral library for untargeted metabolomics. BioRxiv. https://doi.org/10.1101/2022.05.15.490691

5. Bittremieux, W., Laukens, K., & Noble, W. S. (2019). Extremely fast and accurate open modification spectral library searching of high-resolution mass spectra using feature hashing and graphics processing units. Journal of Proteome Research, 18(10), 3792–3799. https://doi.org/10.1021/acs.jproteome.9b00291
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