Retention Time Trajectory Matching for Peak Identification in Chromatographic Analysis.

ABSTRACT: Retention time drift caused by fluctuations in physical factors such as temperature ramping rate and carrier gas flow rate is ubiquitous in chromatographic measurements. Proper peak matching and identification across different chromatograms is critical prior to any subsequent analysis but is challenging without using mass spectrometry. The purpose of this work was to describe and validate a peak matching and identification method called retention time trajectory (RTT) matching that can be used in targeted analyses free of mass spectrometry. This method uses chromatographic retention times as the only input and identifies peaks associated with any subset of a predefined set of target compounds. An RTT is a two-dimensional (2D) curve formed uniquely by the retention times of the chromatograp

SUBMITTER: Zang W 

PROVIDER: S-EPMC10347159 | biostudies-literature | 2023 Jun

REPOSITORIES: biostudies-literature