Accuracy, linearity, and statistical differences in comparative quantification in untargeted plant metabolomics using LC-ESI-Orbitrap-MS.

ABSTRACT: High-resolution mass spectrometers, particularly when paired with liquid chromatography, are the instrument of choice for untargeted metabolomics approaches. Instruments, such as the Orbitrap, offer high sensitivity, selectivity, and exceptional mass accuracy, though they pose certain technical challenges, complicating absolute and comparative quantification. Consequently, method validation is crucial to ensure reliable results, as untargeted metabolomics approaches require the detection and quantification of a large number of metabolites in a broad dynamic range. Methods can be assessed using performance characteristics like accuracy and linearity to ensure analytical reliability. This study evaluates the suitability of untargeted metabolomics methods for discovery-based investigations. A

SUBMITTER: Maisl C 

PROVIDER: S-EPMC11996957 | biostudies-literature | 2025 May

REPOSITORIES: biostudies-literature