1. MASST: A Web-based Basic Mass Spectrometry Search Tool for Molecules to Search Public Data
- Author
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Alan K. Jarmusch, Fernando Vargas, Di Ottavio F, Marcy J. Balunas, Carolina S. Carpenter, Alexey V. Melnik, Daniel Petras, Jonathan L. Klassen, Robert A. Quinn, Emily C. Gentry, Caraballo Rodríguez Am, van der Hooft Jj, Morgan Panitchpakdi, Sara P. Puckett, Alexander A. Aksenov, Madeleine Ernst, Pieter C. Dorrestein, Rob Knight, Silva Rd, Christine M. Aceves, Kelly C. Weldon, Louis-Félix Nothias, Nuno Bandeira, Amina Bouslimani, Rohit Loomba, Julia Gauglitz, Elina I. Zuniga, Emmanuel O. Elijah, Mingxun Wang, Austin D. Swafford, Elizabeth Brown, Kathleen E. Kyle, Lara Labarta-Bajo, Nicole Sikora, Jeramie D. Watrous, and Shabnam Shalapour
- Subjects
0303 health sciences ,Information retrieval ,010405 organic chemistry ,Computer science ,business.industry ,Mass spectrometry ,Tandem mass spectrometry ,01 natural sciences ,0104 chemical sciences ,03 medical and health sciences ,Metabolomics ,Web application ,business ,030304 developmental biology - 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 aMassSpectrometrySearchTool (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).
- Published
- 2019
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