To better understand the effect of different LC-MS setups on metabolite detection, five laboratories analyzed 1298 standard compounds obtained from the MetaSci metabolite standard library, classified as 'Human Endosome' (HE), 'Food Exposome' (FE), 'Chemical Exposome' (CE), 'Microbiota Exposome' (...
Data-independent acquisition mass spectrometry (DIA-MS) is essential for information-rich spectral annotations in untargeted metabolomics. However, the acquired MS2 spectra are highly complex, posing significant annotation challenges. We have developed a correlation-based deconvolution (CorrDec) ...
Lipid Data Analyzer (LDA; http://genome.tugraz.at/lda2) provides automated and reliable annotation of lipid species and their molecular structures in high-throughput data from chromatography-coupled tandem mass spectrometry using embedded rule sets. Using various low- and high-resolution mass spe...