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

Mingxun Wang; Alan K. Jarmusch; Fernando Vargas; Alexander A. Aksenov; Julia M. Gauglitz; Kelly C. Weldon; Daniel Petras; Ricardo Silva; Robby Quinn; Alexey V. Melnik; Justin J. J. van der Hooft; Andrés Mauricio Caraballo‐Rodríguez; Louis-Félix Nothias-Scaglia; Christine M. Aceves; Morgan W. Panitchpakdi; Elizabeth Brown; Francesca Di Ottavio; Nicole C. Sikora; Emmanuel O. Elijah; Lara Labarta-Bajo; Emily C. Gentry; Shabnam Shalapour; Kathleen E. Kyle; Sara P. Puckett; Jeramie D. Watrous; Carolina S. Carpenter; Amina Bouslimani; Madeleine Ernst; Austin D.-E. Swafford; Elina I. Zúñiga

doi:10.1101/591016

BioinformaticsbioRxivMar 28, 2019

Preprint

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

Mingxun Wang iD, Alan K. Jarmusch iD, Fernando Vargas iD, Alexander A. Aksenov iD, Julia M. Gauglitz iD, Kelly C. Weldon iD, Daniel Petras iD, Ricardo Silva iD, Robby Quinn, Alexey V. Melnik iD, Justin J. J. van der Hooft iD, Andrés Mauricio Caraballo‐Rodríguez iD, Louis-Félix Nothias-Scaglia iD, Christine M. Aceves iD, Morgan W. Panitchpakdi iD, Elizabeth Brown iD, Francesca Di Ottavio, Nicole C. Sikora iD, Emmanuel O. Elijah, Lara Labarta-Bajo iD, Emily C. Gentry iD, Shabnam Shalapour iD, Kathleen E. Kyle iD, Sara P. Puckett iD, Jeramie D. Watrous iD, , Pieter C. Dorrestein iD

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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