一种用于微生物代谢组学数据的基于分类学信息的质谱搜索工具。
A Taxonomically-informed Mass Spectrometry Search Tool for Microbial Metabolomics Data.
作者信息
Zuffa Simone, Schmid Robin, Bauermeister Anelize, Gomes Paulo Wender P, Caraballo-Rodriguez Andres M, Abiead Yasin El, Aron Allegra T, Gentry Emily C, Zemlin Jasmine, Meehan Michael J, Avalon Nicole E, Cichewicz Robert H, Buzun Ekaterina, Terrazas Marvic Carrillo, Hsu Chia-Yun, Oles Renee, Ayala Adriana Vasquez, Zhao Jiaqi, Chu Hiutung, Kuijpers Mirte C M, Jackrel Sara L, Tugizimana Fidele, Nephali Lerato Pertunia, Dubery Ian A, Madala Ntakadzeni Edwin, Moreira Eduarda Antunes, Costa-Lotufo Leticia Veras, Lopes Norberto Peporine, Rezende-Teixeira Paula, Jimenez Paula C, Rimal Bipin, Patterson Andrew D, Traxler Matthew F, de Cassia Pessotti Rita, Alvarado-Villalobos Daniel, Tamayo-Castillo Giselle, Chaverri Priscila, Escudero-Leyva Efrain, Quiros-Guerrero Luis-Manuel, Bory Alexandre Jean, Joubert Juliette, Rutz Adriano, Wolfender Jean-Luc, Allard Pierre-Marie, Sichert Andreas, Pontrelli Sammy, Pullman Benjamin S, Bandeira Nuno, Gerwick William H, Gindro Katia, Massana-Codina Josep, Wagner Berenike C, Forchhammer Karl, Petras Daniel, Aiosa Nicole, Garg Neha, Liebeke Manuel, Bourceau Patric, Kang Kyo Bin, Gadhavi Henna, de Carvalho Luiz Pedro Sorio, Dos Santos Mariana Silva, Pérez-Lorente Alicia Isabel, Molina-Santiago Carlos, Romero Diego, Franke Raimo, Brönstrup Mark, de León Arturo Vera Ponce, Pope Phillip Byron, Rosa Sabina Leanti La, Barbera Giorgia La, Roager Henrik M, Laursen Martin Frederik, Hammerle Fabian, Siewert Bianka, Peintner Ursula, Licona-Cassani Cuauhtemoc, Rodriguez-Orduña Lorena, Rampler Evelyn, Hildebrand Felina, Koellensperger Gunda, Schoeny Harald, Hohenwallner Katharina, Panzenboeck Lisa, Gregor Rachel, O'Neill Ellis Charles, Roxborough Eve Tallulah, Odoi Jane, Bale Nicole J, Ding Su, Sinninghe Damsté Jaap S, Guan Xueli Li, Cui Jerry J, Ju Kou-San, Silva Denise Brentan, Silva Fernanda Motta Ribeiro, da Silva Gilvan Ferreira, Koolen Hector H F, Grundmann Carlismari, Clement Jason A, Mohimani Hosein, Broders Kirk, McPhail Kerry L, Ober-Singleton Sidnee E, Rath Christopher M, McDonald Daniel, Knight Rob, Wang Mingxun, Dorrestein Pieter C
机构信息
Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California San Diego, 9500 Gilman Dr., San Diego, CA, 92093, United States.
Collaborative Mass Spectrometry Innovation Center, Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California San Diego, 9500 Gilman Dr., San Diego, CA, 92093, United States.
出版信息
Res Sq. 2023 Aug 3:rs.3.rs-3189768. doi: 10.21203/rs.3.rs-3189768/v1.
MicrobeMASST, a taxonomically-informed mass spectrometry (MS) search tool, tackles limited microbial metabolite annotation in untargeted metabolomics experiments. Leveraging a curated database of >60,000 microbial monocultures, users can search known and unknown MS/MS spectra and link them to their respective microbial producers via MS/MS fragmentation patterns. Identification of microbial-derived metabolites and relative producers, without knowledge, will vastly enhance the understanding of microorganisms' role in ecology and human health.
MicrobeMASST是一种基于分类学信息的质谱（MS）搜索工具，用于解决非靶向代谢组学实验中微生物代谢物注释有限的问题。利用一个精心策划的包含超过60000种微生物单培养物的数据库，用户可以搜索已知和未知的MS/MS谱，并通过MS/MS碎片模式将它们与其各自的微生物生产者联系起来。在无需先验知识的情况下识别微生物衍生的代谢物及其相关生产者，将极大地增进我们对微生物在生态和人类健康中作用的理解。
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