Isotope tracing-based metabolite identificationfor mass spectrometry metabolomics
Deniz Seçi̇lmi̇ş, Arjana Begzati, Nina Grankvist, Irena Roçi, Jeramie D. Watrous, Amit R. Majithia, Gordon Ian Smith, Samuel Klein, Mohit Jain, Roland Nilsson
This paper introduces a method using isotope tracing and mass isotopomer distributions to identify novel metabolites in mass spectrometry data, achieving 62% identification of unknown peaks.
bioRxiv · Apr 7, 2025 · PreprintBiochemistry