pyOpenMS-viz : streamlining mass spectrometry data visualization with pandas

Source
Journal of proteome research - ISSN 1535-3893- (2025) p.
Author(s)
    Justin Cyril Sing, Joshua Charkow, Axel Walter, Mingxuan Gao, Tom David Müller, Wout Bittremieux, Timo Sachsenberg, Hannes Luc Röst

MS-RT : a method for evaluating MS/MS clustering performance for metabolomics data

Source
Journal of proteome research - ISSN 1535-3893- (2025) p.
Author(s)
    Xianghu Wang, Yasin El Abiead, Deepa D. Acharya, Christopher J. Brown, Ken Clevenger, Jie Hu, Ashley Kretsch, Carla Menegatti, Quanbo Xiong, Wout Bittremieux, Mingxun Wang

Discovery of metabolites prevails amid in-source fragmentation

Source
Nature Metabolism - ISSN 2522-5812- (2025) p.
Author(s)
    Yasin El Abiead, Adriano Rutz, Simone Zuffa, Bashar Amer, Shipei Xing, Corinna Brungs, Robin Schmid, Mario S.P. Correia, Andres Mauricio Caraballo-Rodriguez, Amir Zarrinpar, Helena Mannochio-Russo, Michael Witting, Ipsita Mohanty, Tomáš Pluskal, Wout Bittremieux, Rob Knight, Andrew D. Patterson, Justin J.J. van der Hoofd Hooft, Sebastian Böcker, Warwick B. Dunn, Roger G. Linington, David S. Wishart, Jean-Luc Wolfender, Oliver Fiehn, Nicola Zamboni, Pieter C. Dorrestein

Molecular structure discovery for untargeted metabolomics using biotransformation rules and global molecular networking

Source
Analytical chemistry - ISSN 0003-2700-97:6 (2025) p. 3213-3219
Author(s)