{"database":"biostudies-literature","file_versions":[],"scores":null,"additional":{"omics_type":["Unknown"],"volume":["7(1)"],"submitter":["Lommen A"],"pubmed_abstract":["A strategy, detailed methodology description and software are given with which the mass accuracy of U-HPLC-Orbitrap data (resolving power 50,000 FWHM) can be enhanced by an order of magnitude to sub-ppm levels. After mass accuracy enhancement all 211 reference masses have mass errors within 0.5 ppm; only 14 of these are outside the 0.2 ppm error margin. Further demonstration of mass accuracy enhancement is shown on a pre-concentrated urine sample in which evidence for 89 (342 ions) potential hydroxylated and glucuronated DHEA-metabolites is found. Although most DHEA metabolites have low-intensity mass signals, only 11 out of 342 are outside the ±1 ppm error envelop; 272 mass signals have errors below 0.5 ppm (142 below 0.2 ppm). The methodology consists of: (a) a multiple internal lock cor"],"journal":["Metabolomics : Official journal of the Metabolomic Society"],"pagination":["15-24"],"full_dataset_link":["https://www.ebi.ac.uk/biostudies/studies/S-EPMC3040356"],"repository":["biostudies-literature"],"pubmed_title":["Ultra-fast searching assists in evaluating sub-ppm mass accuracy enhancement in U-HPLC/Orbitrap MS data."],"pmcid":["PMC3040356"],"pubmed_authors":["Lommen A","Ruiz-Aracama A","Peters RJ","Gerssen A","Oosterink JE","Mol HG","Kools HJ"],"additional_accession":[]},"is_claimable":false,"name":"Ultra-fast searching assists in evaluating sub-ppm mass accuracy enhancement in U-HPLC/Orbitrap MS data.","description":"A strategy, detailed methodology description and software are given with which the mass accuracy of U-HPLC-Orbitrap data (resolving power 50,000 FWHM) can be enhanced by an order of magnitude to sub-ppm levels. After mass accuracy enhancement all 211 reference masses have mass errors within 0.5 ppm; only 14 of these are outside the 0.2 ppm error margin. Further demonstration of mass accuracy enhancement is shown on a pre-concentrated urine sample in which evidence for 89 (342 ions) potential hydroxylated and glucuronated DHEA-metabolites is found. Although most DHEA metabolites have low-intensity mass signals, only 11 out of 342 are outside the ±1 ppm error envelop; 272 mass signals have errors below 0.5 ppm (142 below 0.2 ppm). The methodology consists of: (a) a multiple internal lock cor","dates":{"release":"2011-01-01T00:00:00Z","publication":"2011 Mar","modification":"2025-05-29T20:56:27.184Z","creation":"2025-05-29T20:56:27.184Z"},"accession":"S-EPMC3040356","cross_references":{"pubmed":["21461040"],"doi":["10.1007/s11306-010-0230-y"]}}