A system suitability testing platform for untargeted, high-resolution mass spectrometry.

ABSTRACT: The broad coverage of untargeted metabolomics poses fundamental challenges for the harmonization of measurements along time, even if they originate from the very same instrument. Internal isotopic standards can hardly cover the chemical complexity of study samples. Therefore, they are insufficient for normalizing data a posteriori as done for targeted metabolomics. Instead, it is crucial to verify instrument's performance a priori, that is, before samples are injected. Here, we propose a system suitability testing platform for time-of-flight mass spectrometers independent of liquid chromatography. It includes a chemically defined quality control mixture, a fast acquisition method, software for extracting ca. 3,000 numerical features from profile data, and a simple web service

SUBMITTER: Dmitrenko A 

PROVIDER: S-EPMC9592825 | biostudies-literature | 2022

REPOSITORIES: biostudies-literature