MASST: A Web-based Basic Mass Spectrometry Search Tool for Molecules to Search Public Data.

Wang, M.; Jarmusch, A. K.; Vargas, F.; Aksenov, A. A.; Gauglitz, J.; Weldon, K.; Petras, D.; da Silva, R.; Quinn, R.; Melnik, A.; van der Hooft, J. J. J.; Rodriguez, A. M. C.; Nothias, L. F.; Aceves, C. M.; Panitchpakdi, M.; Brown, E.; Di Ottavio, F.; Sikora, N.; Elijah, E. O.; Labarta-Bajo, L.; Gentry, E. G.; Shalapour, S.; Kyle, K. E.; Puckett, S. P.; Watrous, J. D.; Carpenter, C. S.; Bouslimani, A.; Ernst, M.; Swafford, A. D.; Zuniga, E. I.; Balunas, M. J.; Klassen, J. L.; Loomba, R.; Knight, R.; Bandeira, N.; Dorrestein, P. C.

doi:10.1101/591016

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bioRxiv · 10.1101/591016

MASST: A Web-based Basic Mass Spectrometry Search Tool for Molecules to Search Public Data.

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Abstract

CorrespondenceWe introduce a web-enabled small-molecule mass spectrometry (MS) search engine. To date, no tool can query all the public small-molecule tandem MS data in metabolomics repositories, greatly limiting the utility of these resources in clinical, environmental and natural product applications. Therefore, we introduce a Mass Spectrometry Search Tool (MASST) (https://proteosafe-extensions.ucsd.edu/masst/), that enables the discovery of molecular relationships among accessible public metabolomics and natural product tandem mass spectrometry data (MS/MS).

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Wang, M., Jarmusch, A. K., Vargas, F., Aksenov, A. A., Gauglitz, J., Weldon, K., Petras, D., da Silva, R., Quinn, R., Melnik, A., van der Hooft, J. J. J., Rodriguez, A. M. C., Nothias, L. F., Aceves, C. M., Panitchpakdi, M., Brown, E., Di Ottavio, F., Sikora, N., Elijah, E. O., Labarta-Bajo, L., Gentry, E. G., Shalapour, S., Kyle, K. E., Puckett, S. P., Watrous, J. D., Carpenter, C. S., Bouslimani, A., Ernst, M., Swafford, A. D., Zuniga, E. I., Balunas, M. J., Klassen, J. L., Loomba, R., Knight, R., Bandeira, N., Dorrestein, P. C.. 2019-03-28. MASST: A Web-based Basic Mass Spectrometry Search Tool for Molecules to Search Public Data.. https://doi.org/10.1101/591016

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