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Batch variation of large scale LC-MS metabolomics analysis of human plasma samples

ABSTRACT: Metabolomics holds the promise to measure and quantify small molecules comprehensively in biological systems, and LC-MS (liquid chromatography coupled mass spectrometry) has become the leading technology in the field. Significant challenges still exist in the computational processing of data from LC-MS metabolomic experiments into metabolite features, including provenance and reproducibility of the current software tools. Current dataset, named HZV029, comprises of 268 data files, from two QC (human pooled plasma) samples that were analyzed repeatedly over 17 batches, on a Thermo Scientific Orbitrap ID-X Tribrid mass spectrometer, coupled with dual liquid chromatography via a Transcend LX-2 System. It provides a unique opportunity to be used as a benchmark dataset to evaluate reproducibility via available choices of different processing tools without knowing the ground truth about these QC samples.

ORGANISM(S): Human Homo Sapiens

TISSUE(S): Blood

SUBMITTER: Amnah Siddiqa

PROVIDER: ST002233 | MetabolomicsWorkbench | Mon Apr 11 00:00:00 BST 2022

REPOSITORIES: MetabolomicsWorkbench

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Batch variation of large scale LC-MS metabolomics analysis of human plasma samples

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