Computational Expansion of High-Resolution-MS

Tandem Mass Spectrometry / methods Metabolomics / methods Databases, Factual Ions / chemistry Workflow

Journal

Analytical chemistry
ISSN: 1520-6882
Titre abrégé: Anal Chem
Pays: United States
ID NLM: 0370536

Informations de publication

Date de publication:
28 Nov 2023
Historique:
medline: 29 11 2023
pubmed: 14 11 2023
entrez: 14 11 2023
Statut: ppublish

Résumé

Commonly, in MS-based untargeted metabolomics, some metabolites cannot be confidently identified due to ambiguities in resolving isobars and structurally similar species. To address this, analytical techniques beyond traditional MS

Identifiants

DOI: 10.1021/acs.analchem.3c03343 PMID: 37963318 PMC: PMC10688228
pubmed: 37963318
doi: 10.1021/acs.analchem.3c03343
pmc: PMC10688228
doi:

Substances chimiques

Ions 0

Types de publication

Journal Article

Langues

eng

Sous-ensembles de citation

IM

Pagination

17284-17291

Références

Anal Chem. 2018 Mar 6;90(5):3156-3164
pubmed: 29381867
Nat Biotechnol. 2018 Apr 5;36(4):316-320
pubmed: 29621222
Anal Chem. 2006 Apr 1;78(7):2113-20
pubmed: 16579588
Nat Methods. 2023 Jun;20(6):881-890
pubmed: 37055660
Metabolites. 2018 May 10;8(2):
pubmed: 29748461
J Mass Spectrom. 2014 Jun;49(6):498-508
pubmed: 24913402
J Cheminform. 2016 Feb 01;8:5
pubmed: 26839597
Nat Methods. 2019 Apr;16(4):299-302
pubmed: 30886413
J Mass Spectrom. 2005 Apr;40(4):430-43
pubmed: 15838939
BMC Bioinformatics. 2006 Apr 28;7:234
pubmed: 16646969
J Mass Spectrom. 2010 Jul;45(7):703-14
pubmed: 20623627
J Chem Inf Model. 2013 May 24;53(5):1223-8
pubmed: 23480664
J Comput Biol. 2011 Nov;18(11):1383-97
pubmed: 22035289
Metabolomics. 2007 Sep;3(3):211-221
pubmed: 24039616
Annu Rev Anal Chem (Palo Alto Calif). 2019 Jun 12;12(1):177-199
pubmed: 30883183
BMC Bioinformatics. 2007 Mar 27;8:105
pubmed: 17389044
J Am Soc Mass Spectrom. 1992 Sep;3(6):599-614
pubmed: 24234564
Mass Spectrom Rev. 2008 Nov-Dec;27(6):661-99
pubmed: 18683895
Nat Methods. 2016 Aug 30;13(9):741-8
pubmed: 27575624
J Am Soc Mass Spectrom. 2017 Nov;28(11):2280-2287
pubmed: 28721670
Nat Biotechnol. 2016 Aug 9;34(8):828-837
pubmed: 27504778
Proc Natl Acad Sci U S A. 2015 Oct 13;112(41):12549-50
pubmed: 26430243
J Am Soc Mass Spectrom. 2009 Mar;20(3):370-6
pubmed: 19041260
Rapid Commun Mass Spectrom. 2004;18(13):1447-54
pubmed: 15216504

Auteurs

Brandon Y Lieng (BY)

Terrence Donnelly Centre for Cellular and Biomolecular Research, University of Toronto, Toronto, ON M5S 3E1, Canada.
Department of Molecular Genetics, University of Toronto, Toronto, ON M5S 1A8, Canada.
Institute of Biomedical Engineering, University of Toronto, Toronto, ON M5S 3G9, Canada.
ORCID: 0000-0002-9269-9247

Andrew T Quaile (AT)

Terrence Donnelly Centre for Cellular and Biomolecular Research, University of Toronto, Toronto, ON M5S 3E1, Canada.
Department of Molecular Genetics, University of Toronto, Toronto, ON M5S 1A8, Canada.
Institute of Biomedical Engineering, University of Toronto, Toronto, ON M5S 3G9, Canada.
ORCID: 0000-0002-1194-3712

Xavier Domingo-Almenara (X)

Centre for Omics Sciences, Eurecat─Technology Centre of Catalonia & Rovira i Virgili University Joint Unit, Reus 43204, Catalonia, Spain.
Department of Electrical, Electronic and Control Engineering, Universitat Rovira i Virgili, Tarragona 43007, Catalonia, Spain.
ORCID: 0000-0002-0133-6863

Hannes L Röst (HL)

Terrence Donnelly Centre for Cellular and Biomolecular Research, University of Toronto, Toronto, ON M5S 3E1, Canada.
Department of Molecular Genetics, University of Toronto, Toronto, ON M5S 1A8, Canada.
ORCID: 0000-0003-0990-7488

J Rafael Montenegro-Burke (JR)

Terrence Donnelly Centre for Cellular and Biomolecular Research, University of Toronto, Toronto, ON M5S 3E1, Canada.
Department of Molecular Genetics, University of Toronto, Toronto, ON M5S 1A8, Canada.
Institute of Biomedical Engineering, University of Toronto, Toronto, ON M5S 3G9, Canada.
ORCID: 0000-0001-7787-3414

Articles similaires

Predicting urinary stone recurrence: a joint model analysis of repeated 24-hour urine collections from the MSTONE database.

Zifang Kong, Brett A Johnson, Naim M Maalouf et al.
1.00
Humans Recurrence Male Female Middle Aged

Integrated multi-omics revealed that dysregulated lipid metabolism played an important role in RA patients with metabolic diseases.

Xiaoting Zhu, Wubin Long, Jing Zhang et al.
1.00
Humans Arthritis, Rheumatoid Lipid Metabolism Male Female

Motif mapping during chickpea germination reveals a complex sequential activation of different proteolytic activities.

Indrani Bera, Michael O'Sullivan, Caitriona Scaife et al.
1.00
Cicer Germination Proteolysis Seeds Plant Proteins

Quantitative proteomics and multi-omics analysis identifies potential biomarkers and the underlying pathological molecular networks in Chinese patients with multiple sclerosis.

Fan Yang, Long-You Zhao, Wen-Qi Yang et al.
1.00
Humans Biomarkers Proteomics Multiple Sclerosis Female

Classifications MeSH

questionsmedicales.fr › Techniques d'investigation › Techniques de chimie analytique › Spectrométrie de masse › Spectrométrie de masse en tandem › Computational Expansion of High-Resolution-MS
questionsmedicales.fr › Disciplines des sciences naturelles › Chimie › Biochimie › Métabolomique › Computational Expansion of High-Resolution-MS
questionsmedicales.fr › Sciences de l'information › Mémorisation et recherche des informations › Bases de données comme sujet › Bases de données factuelles › Computational Expansion of High-Resolution-MS
questionsmedicales.fr › Produits chimiques inorganiques › Électrolytes › Ions › Computational Expansion of High-Resolution-MS
questionsmedicales.fr › Sciences de l'information › Analyse des systèmes › Flux de travaux › Computational Expansion of High-Resolution-MS