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September 10, 2026Journal of the American Society for Mass Spectrometry

Bridging Speed and Confidence in Metabolomics: A Retention Time and MS2-Guided HILIC-Orbitrap Workflow

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Authors

JRJonas RöslerCKConstantin P. KrempeFCFeyza Cansiz

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Overview

Analytical study demonstrates an accelerated HILIC-Orbitrap workflow for complex biological samples, highlighting reduced false-positive annotations in rapid metabolic profiling.

Key Points

  • Develop a rapid and sensitive metabolomics screening workflow that reduces false-positive annotations and analysis time for polar metabolites in complex biological samples.
  • Optimized a superficially porous sulfobetaine hydrophilic interaction liquid chromatography (HILIC) method to resolve polar metabolites in under 9 minutes.
  • Coupled chromatographic separation to a Q-Exactive Plus Orbitrap utilizing an inclusion-list-driven data-dependent acquisition (DDA) full-scan mode.
  • Constructed an open-source retention time database cataloging approximately 400 metabolites across central metabolic pathways.
  • Resolved polar metabolites from complex samples in less than 9 minutes with demonstrated repeatability and sensitivity.
  • Substantially lowered false-positive metabolite annotations through retention time filtering and targeted MS2 acquisition, enabling a streamlined data analysis pipeline.

Cite This Study

Rösler et al. (2026) studied this question.

synapsesocial.com/papers/6aa27b0c58559d80afc74145https://doi.org/10.1021/jasms.6c00203
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