Automated Near Real-Time QC for LC-HRMS.

ABSTRACT:

Rationale

The quality of analytical measurements is typically evaluated after completion of the entire, or possibly multiple, measurement batch(es). Automated, near real-time quality control (QC) during LC-HRMS acquisition can prevent reruns and sample loss by flagging issues as they occur. Functionality was evaluated by retrospective application to 5 years of river-water surveillance.

Methods

We present a modular MATLAB workflow that tracks isotopically labelled internal standards for peak height, retention time and mass error against rolling, method-specific expectations; applies multivariate statistical process control (MSPC; PCA with Hotelling's T² and SPE on intensity/retention time ratios and mass error); issues immediate email alerts; and logs outcomes to a

SUBMITTER: Mohr MJ 

PROVIDER: S-EPMC12933221 | biostudies-literature | 2026 May

REPOSITORIES: biostudies-literature