MS-DIAL: data-independent MS/MS deconvolution for comprehensive metabolome analysis.
Hiroshi Tsugawa,Tomas Cajka,Tobias Kind,Yan Ma,Brendan T. Higgins,Kazutaka Ikeda,Mitsuhiro Kanazawa,Jean S. VanderGheynst,Oliver Fiehn,Masanori Arita +9 more
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For a reversed-phase LC-MS/MS analysis of nine algal strains, MS-DIAL using an enriched LipidBlast library identified 1,023 lipid compounds, highlighting the chemotaxonomic relationships between theAlgal strains.Abstract:
Data-independent acquisition (DIA) in liquid chromatography (LC) coupled to tandem mass spectrometry (MS/MS) provides comprehensive untargeted acquisition of molecular data. We provide an open-source software pipeline, which we call MS-DIAL, for DIA-based identification and quantification of small molecules by mass spectral deconvolution. For a reversed-phase LC-MS/MS analysis of nine algal strains, MS-DIAL using an enriched LipidBlast library identified 1,023 lipid compounds, highlighting the chemotaxonomic relationships between the algal strains.read more
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Using MetaboAnalyst 4.0 for Comprehensive and Integrative Metabolomics Data Analysis.
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Using MetaboAnalyst 3.0 for Comprehensive Metabolomics Data Analysis.
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SIRIUS 4: a rapid tool for turning tandem mass spectra into metabolite structure information.
Kai Dührkop,Markus Fleischauer,Marcus Ludwig,Alexander A. Aksenov,Alexey V. Melnik,Marvin Meusel,Marvin Meusel,Pieter C. Dorrestein,Juho Rousu,Sebastian Böcker +9 more
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Toward Merging Untargeted and Targeted Methods in Mass Spectrometry-Based Metabolomics and Lipidomics.
TL;DR: This work focuses on the application of mass spectrometry to the treatment of metabolomics and Lipidomics with a focus on the characterization of the role of phosphorous in the biosynthetic pathway.
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“Bioinformatics” 특집을 내면서
TL;DR: Assessment of medical technology in the context of commercialization with Bioentrepreneur course, which addresses many issues unique to biomedical products.
Journal ArticleDOI
Gut flora metabolism of phosphatidylcholine promotes cardiovascular disease
Zeneng Wang,Elizabeth Klipfell,Brian J. Bennett,Robert A. Koeth,Bruce S. Levison,Brandon DuGar,Ariel E. Feldstein,Earl B. Britt,Xiaoming Fu,Yoon-Mi Chung,Yuping Wu,Phil Schauer,Jonathan D. Smith,Hooman Allayee,W.H. Wilson Tang,Joseph A. DiDonato,Aldons J. Lusis,Stanley L. Hazen +17 more
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Proposed minimum reporting standards for chemical analysis
Lloyd W. Sumner,Alexander Amberg,Dave Barrett,Michael H. Beale,Richard D. Beger,Clare A. Daykin,Teresa W.-M. Fan,Oliver Fiehn,Royston Goodacre,Julian L. Griffin,Thomas Hankemeier,Nigel Hardy,James M. Harnly,Richard M. Higashi,Joachim Kopka,Andrew N. Lane,John C. Lindon,Philip J. Marriott,Andrew W. Nicholls,Michael D. Reily,John J. Thaden,Mark R. Viant +21 more
TL;DR: This article proposes the minimum reporting standards related to the chemical analysis aspects of metabolomics experiments including: sample preparation, experimental analysis, quality control, metabolite identification, and data pre-processing.
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