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DDA LC-MS/MS of reference human plasma and urine samples

ABSTRACT: Brief description of the data submitted: Three LC-MS/MS files acquired using Data Dependent Acquisition (DDA) for (1) NIST 1950 Frozen Human Plasma standard reference material subjected to reversed-phase chromatographic (RPC) metabolomic assay tailored for complex lipid separation; (2) plasma Long-Term Reference (LTR) sample, routinely integrated in profiling studies at the National Phenome Centre for study-independent monitoring of precision, analysed by hydrophilic interaction liquid chromatography (HILIC) metabolomic assay tailored for small molecule polar metabolites; (3) pooled Long-Term Reference (LTR) urine sample, routinely integrated in profiling studies at the National Phenome Centre for study-independent monitoring of precision, analysed by reversed-phase chromatographic (RPC) metabolomic assay tailored for small molecule metabolites. Paper title: MS2Query: Reliable and Scalable MS2 Mass Spectral-based Analogue Search Author list: Niek F. de Jonge, Joris R. Louwen, Elena Chekmeneva, Stephane Camuzeaux, Femke J. Vermeir, Robert S. Jansen, Florian Huber, Justin J.J. van der Hooft Citation: bioRxiv 2022.07.22.501125; doi: https://doi.org/10.1101/2022.07.22.501125

INSTRUMENT(S): Xevo G2-S Tof

ORGANISM(S): Homo Sapiens (ncbitaxon:9606)

SUBMITTER: Elena Chekmeneva

PROVIDER: MSV000090642 | MassIVE | Fri Nov 04 03:38:00 GMT 2022

REPOSITORIES: MassIVE

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