patRoon 2.0: Improved non-target analysis workflows including automated transformation product screening

Submitted 03 December 2021 • Published 12 March 2022
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Editor: @KristinaRiemer (all papers)
Reviewers: @wesleyburr (all reviews), @hechth (all reviews)

Authors

Rick Helmus (0000-0001-9401-3133), Bas van de Velde (0000-0003-1292-3251), Andrea M. Brunner (0000-0002-2801-1751), Thomas L. ter Laak (0000-0002-6182-6004), Annemarie P. van Wezel (0000-0002-6875-957X), Emma L. Schymanski (0000-0001-6868-8145)

Citation

Helmus et al., (2022). patRoon 2.0: Improved non-target analysis workflows including automated transformation product screening. Journal of Open Source Software, 7(71), 4029, https://doi.org/10.21105/joss.04029

@article{Helmus2022, doi = {10.21105/joss.04029}, url = {https://doi.org/10.21105/joss.04029}, year = {2022}, publisher = {The Open Journal}, volume = {7}, number = {71}, pages = {4029}, author = {Rick Helmus and Bas van de Velde and Andrea M. Brunner and Thomas L. ter Laak and Annemarie P. van Wezel and Emma L. Schymanski}, title = {patRoon 2.0: Improved non-target analysis workflows including automated transformation product screening}, journal = {Journal of Open Source Software} }
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R non-target screening transformation products high resolution mass spectrometry

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