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Journal Abstract Search

557 related items for PubMed ID: 28225587

  • 1. compMS2Miner: An Automatable Metabolite Identification, Visualization, and Data-Sharing R Package for High-Resolution LC-MS Data Sets.
    Edmands WM, Petrick L, Barupal DK, Scalbert A, Wilson MJ, Wickliffe JK, Rappaport SM.
    Anal Chem; 2017 Apr 04; 89(7):3919-3928. PubMed ID: 28225587
    [Abstract] [Full Text] [Related]

  • 2. MetMSLine: an automated and fully integrated pipeline for rapid processing of high-resolution LC-MS metabolomic datasets.
    Edmands WM, Barupal DK, Scalbert A.
    Bioinformatics; 2015 Mar 01; 31(5):788-90. PubMed ID: 25348215
    [Abstract] [Full Text] [Related]

  • 3. [A novel method for efficient screening and annotation of important pathway-associated metabolites based on the modified metabolome and probe molecules].
    Li Z, Zheng F, Xia Y, Zhang X, Wang X, Zhao C, Zhao X, Lu X, Xu G.
    Se Pu; 2022 Sep 01; 40(9):788-796. PubMed ID: 36156625
    [Abstract] [Full Text] [Related]

  • 4. MAW: the reproducible Metabolome Annotation Workflow for untargeted tandem mass spectrometry.
    Zulfiqar M, Gadelha L, Steinbeck C, Sorokina M, Peters K.
    J Cheminform; 2023 Mar 04; 15(1):32. PubMed ID: 36871033
    [Abstract] [Full Text] [Related]

  • 5. Metabolomic spectral libraries for data-independent SWATH liquid chromatography mass spectrometry acquisition.
    Bruderer T, Varesio E, Hidasi AO, Duchoslav E, Burton L, Bonner R, Hopfgartner G.
    Anal Bioanal Chem; 2018 Mar 04; 410(7):1873-1884. PubMed ID: 29411086
    [Abstract] [Full Text] [Related]

  • 6. Automated Annotation of Untargeted All-Ion Fragmentation LC-MS Metabolomics Data with MetaboAnnotatoR.
    Graça G, Cai Y, Lau CE, Vorkas PA, Lewis MR, Want EJ, Herrington D, Ebbels TMD.
    Anal Chem; 2022 Mar 01; 94(8):3446-3455. PubMed ID: 35180347
    [Abstract] [Full Text] [Related]

  • 7. peakPantheR, an R package for large-scale targeted extraction and integration of annotated metabolic features in LC-MS profiling datasets.
    Wolfer AM, D S Correia G, Sands CJ, Camuzeaux S, Yuen AHY, Chekmeneva E, Takáts Z, Pearce JTM, Lewis MR.
    Bioinformatics; 2021 Dec 11; 37(24):4886-4888. PubMed ID: 34125879
    [Abstract] [Full Text] [Related]

  • 8. metID: an R package for automatable compound annotation for LC-MS-based data.
    Shen X, Wu S, Liang L, Chen S, Contrepois K, Zhu ZJ, Snyder M.
    Bioinformatics; 2022 Jan 03; 38(2):568-569. PubMed ID: 34432001
    [Abstract] [Full Text] [Related]

  • 9. IDSL.CSA: Composite Spectra Analysis for Chemical Annotation of Untargeted Metabolomics Datasets.
    Baygi SF, Kumar Y, Barupal DK.
    bioRxiv; 2023 May 31. PubMed ID: 36798308
    [Abstract] [Full Text] [Related]

  • 10. CluMSID: an R package for similarity-based clustering of tandem mass spectra to aid feature annotation in metabolomics.
    Depke T, Franke R, Brönstrup M.
    Bioinformatics; 2019 Sep 01; 35(17):3196-3198. PubMed ID: 30649189
    [Abstract] [Full Text] [Related]

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  • 15. Implementation of a semi-automated strategy for the annotation of metabolomic fingerprints generated by liquid chromatography-high resolution mass spectrometry from biological samples.
    Courant F, Royer AL, Chéreau S, Morvan ML, Monteau F, Antignac JP, Le Bizec B.
    Analyst; 2012 Nov 07; 137(21):4958-67. PubMed ID: 22970429
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  • 19. Novel Method for Comprehensive Annotation of Plant Glycosides Based on Untargeted LC-HRMS/MS Metabolomics.
    Zhang X, Zheng F, Zhao C, Li Z, Li C, Xia Y, Zheng S, Wang X, Sun X, Zhao X, Lin X, Lu X, Xu G.
    Anal Chem; 2022 Dec 06; 94(48):16604-16613. PubMed ID: 36472119
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  • 20. Deciphering complex metabolite mixtures by unsupervised and supervised substructure discovery and semi-automated annotation from MS/MS spectra.
    Rogers S, Ong CW, Wandy J, Ernst M, Ridder L, van der Hooft JJJ.
    Faraday Discuss; 2019 Aug 15; 218(0):284-302. PubMed ID: 31120050
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