FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W3139201112> ?p ?o ?g. }

• W3139201112 endingPage "5036" @default.
• W3139201112 startingPage "5028" @default.
• W3139201112 abstract "LC-HRMS experiments detect thousands of compounds, with only a small fraction of them identified in most studies. Traditional data processing pipelines contain an alignment step to assemble the measurements of overlapping features across samples into a unified table. However, data sets acquired under nonidentical conditions are not amenable to this process, mostly due to significant alterations in chromatographic retention times. Alignment of features between disparately acquired LC-MS metabolomics data could aid collaborative compound identification efforts and enable meta-analyses of expanded data sets. Here, we describe metabCombiner, a new computational pipeline for matching known and unknown features in a pair of untargeted LC-MS data sets and concatenating their abundances into a combined table of intersecting feature measurements. metabCombiner groups features by mass-to-charge (m/z) values to generate a search space of possible feature pair alignments, fits a spline through a set of selected retention time ordered pairs, and ranks alignments by m/z, mapped retention time, and relative abundance similarity. We evaluated this workflow on a pair of plasma metabolomics data sets acquired with different gradient elution methods, achieving a mean absolute retention time prediction error of roughly 0.06 min and a weighted per-compound matching accuracy of approximately 90%. We further demonstrate the utility of this method by comprehensively mapping features in urine and muscle metabolomics data sets acquired from different laboratories. metabCombiner has the potential to bridge the gap between otherwise incompatible metabolomics data sets and is available as an R package at https://github.com/hhabra/metabCombiner and Bioconductor." @default.
• W3139201112 created "2021-03-29" @default.
• W3139201112 creator A5007233450 @default.
• W3139201112 creator A5029884301 @default.
• W3139201112 creator A5045264328 @default.
• W3139201112 creator A5057221073 @default.
• W3139201112 creator A5066104663 @default.
• W3139201112 creator A5068771233 @default.
• W3139201112 date "2021-03-16" @default.
• W3139201112 modified "2023-10-17" @default.
• W3139201112 title "<i>metabCombiner</i>: Paired Untargeted LC-HRMS Metabolomics Feature Matching and Concatenation of Disparately Acquired Data Sets" @default.
• W3139201112 cites W1198650284 @default.
• W3139201112 cites W1611854178 @default.
• W3139201112 cites W1960974681 @default.
• W3139201112 cites W1964010911 @default.
• W3139201112 cites W1989299822 @default.
• W3139201112 cites W1990420052 @default.
• W3139201112 cites W1995314198 @default.
• W3139201112 cites W2005262804 @default.
• W3139201112 cites W2027021033 @default.
• W3139201112 cites W2028421938 @default.
• W3139201112 cites W2036740013 @default.
• W3139201112 cites W2039058260 @default.
• W3139201112 cites W2045117578 @default.
• W3139201112 cites W2053785363 @default.
• W3139201112 cites W2065742004 @default.
• W3139201112 cites W2073470877 @default.
• W3139201112 cites W2101053476 @default.
• W3139201112 cites W2142726269 @default.
• W3139201112 cites W2144157946 @default.
• W3139201112 cites W2150401591 @default.
• W3139201112 cites W2191463419 @default.
• W3139201112 cites W2313125168 @default.
• W3139201112 cites W2383878747 @default.
• W3139201112 cites W2469679323 @default.
• W3139201112 cites W2523233421 @default.
• W3139201112 cites W2548704336 @default.
• W3139201112 cites W2740838806 @default.
• W3139201112 cites W2740856177 @default.
• W3139201112 cites W2745786050 @default.
• W3139201112 cites W2767195265 @default.
• W3139201112 cites W2906914952 @default.
• W3139201112 cites W2951026398 @default.
• W3139201112 cites W2981451636 @default.
• W3139201112 cites W3009456510 @default.
• W3139201112 cites W3015831215 @default.
• W3139201112 cites W3016036651 @default.
• W3139201112 doi "https://doi.org/10.1021/acs.analchem.0c03693" @default.
• W3139201112 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/33724799" @default.
• W3139201112 hasPublicationYear "2021" @default.
• W3139201112 type Work @default.
• W3139201112 sameAs 3139201112 @default.
• W3139201112 citedByCount "12" @default.
• W3139201112 countsByYear W31392011122021 @default.
• W3139201112 countsByYear W31392011122022 @default.
• W3139201112 countsByYear W31392011122023 @default.
• W3139201112 crossrefType "journal-article" @default.
• W3139201112 hasAuthorship W3139201112A5007233450 @default.
• W3139201112 hasAuthorship W3139201112A5029884301 @default.
• W3139201112 hasAuthorship W3139201112A5045264328 @default.
• W3139201112 hasAuthorship W3139201112A5057221073 @default.
• W3139201112 hasAuthorship W3139201112A5066104663 @default.
• W3139201112 hasAuthorship W3139201112A5068771233 @default.
• W3139201112 hasBestOaLocation W31392011121 @default.
• W3139201112 hasConcept C105795698 @default.
• W3139201112 hasConcept C124101348 @default.
• W3139201112 hasConcept C153180895 @default.
• W3139201112 hasConcept C154945302 @default.
• W3139201112 hasConcept C165064840 @default.
• W3139201112 hasConcept C185592680 @default.
• W3139201112 hasConcept C186060115 @default.
• W3139201112 hasConcept C199360897 @default.
• W3139201112 hasConcept C21565614 @default.
• W3139201112 hasConcept C27438332 @default.
• W3139201112 hasConcept C33923547 @default.
• W3139201112 hasConcept C41008148 @default.
• W3139201112 hasConcept C43521106 @default.
• W3139201112 hasConcept C43617362 @default.
• W3139201112 hasConcept C58489278 @default.
• W3139201112 hasConcept C86803240 @default.
• W3139201112 hasConceptScore W3139201112C105795698 @default.
• W3139201112 hasConceptScore W3139201112C124101348 @default.
• W3139201112 hasConceptScore W3139201112C153180895 @default.
• W3139201112 hasConceptScore W3139201112C154945302 @default.
• W3139201112 hasConceptScore W3139201112C165064840 @default.
• W3139201112 hasConceptScore W3139201112C185592680 @default.
• W3139201112 hasConceptScore W3139201112C186060115 @default.
• W3139201112 hasConceptScore W3139201112C199360897 @default.
• W3139201112 hasConceptScore W3139201112C21565614 @default.
• W3139201112 hasConceptScore W3139201112C27438332 @default.
• W3139201112 hasConceptScore W3139201112C33923547 @default.
• W3139201112 hasConceptScore W3139201112C41008148 @default.
• W3139201112 hasConceptScore W3139201112C43521106 @default.
• W3139201112 hasConceptScore W3139201112C43617362 @default.
• W3139201112 hasConceptScore W3139201112C58489278 @default.
• W3139201112 hasConceptScore W3139201112C86803240 @default.
• W3139201112 hasFunder F4320306080 @default.
• W3139201112 hasIssue "12" @default.

• next