Reproducible molecular networking of untargeted mass spectrometry data using GNPS

Allegra Aron , Emily Gentry , Kerry Mcphail , Louis-Félix Nothias , Mélissa Nothias-Esposito , Amina Bouslimani (1) , Daniel Petras (2) , Julia Gauglitz , Nicole Sikora , Fernando Vargas , Justin J. J. van Der Hooft (3) , Madeleine Ernst , Kyo Bin Kang , Christine M. Aceves , Andrés Mauricio Caraballo-Rodríguez , Irina Koester , Kelly C. Weldon , Samuel Bertrand , Catherine C Roullier (4) , Kunyang Sun , Richard M. Tehan , Cristopher A. Boya , Christian Martin H. , Marcelino Gutiérrez , Aldo Moreno Ulloa , Javier Andres Tejeda Mora , Randy Mojica-Flores , Johant Lakey-Beitia , Victor Vásquez-Chaves , Angela I. Calderón , Nicole Tayler , Robert A. Keyzers , Fidele Tugizimana , Nombuso Ndlovu , Alexander A. Aksenov , Alan K. Jarmusch , Robin Schmid , Andrew W. Truman , Nuno Bandeira , Mingxun Wang , Pieter Dorrestein

1 IRCM - U1194 Inserm - UM - Institut de Recherche en Cancérologie de Montpellier
2 Süssmuth Institut für Chemie
3 University of Glasgow
4 MMS - Mer, molécules et santé EA 2160

Domaines: Chimie; Sciences du Vivant [q-bio]

Allegra Aron, Emily Gentry, Kerry Mcphail, Louis-Félix Nothias, Mélissa Nothias-Esposito, et al.. Reproducible molecular networking of untargeted mass spectrometry data using GNPS. Nature Protocols, 2020, 15 (6), pp.1954-1991. ⟨10.1038/s41596-020-0317-5⟩. ⟨hal-03015872⟩