MassTRIX: mass translator into pathways

Recent technical advances in mass spectrometry (MS) have brought the field of metabolomics to a point where large numbers of metabolites from numerous prokaryotic and eukaryotic organisms can now be easily and precisely detected. The challenge today lies in the correct annotation of these metabolite...

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Detalles Bibliográficos
Autores principales: Suhre, Karsten, Schmitt-Kopplin, Philippe
Formato: Texto
Lenguaje:English
Publicado: Oxford University Press 2008
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2447776/
https://www.ncbi.nlm.nih.gov/pubmed/18442993
http://dx.doi.org/10.1093/nar/gkn194
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author Suhre, Karsten
Schmitt-Kopplin, Philippe
author_facet Suhre, Karsten
Schmitt-Kopplin, Philippe
author_sort Suhre, Karsten
collection PubMed
description Recent technical advances in mass spectrometry (MS) have brought the field of metabolomics to a point where large numbers of metabolites from numerous prokaryotic and eukaryotic organisms can now be easily and precisely detected. The challenge today lies in the correct annotation of these metabolites on the basis of their accurate measured masses. Assignment of bulk chemical formula is generally possible, but without consideration of the biological and genomic context, concrete metabolite annotations remain difficult and uncertain. MassTRIX responds to this challenge by providing a hypothesis-driven approach to high precision MS data annotation. It presents the identified chemical compounds in their genomic context as differentially colored objects on KEGG pathway maps. Information on gene transcription or differences in the gene complement (e.g. samples from different bacterial strains) can be easily added. The user can thus interpret the metabolic state of the organism in the context of its potential and, in the case of submitted transcriptomics data, real enzymatic capacities. The MassTRIX web server is freely accessible at http://masstrix.org
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spelling pubmed-24477762008-07-09 MassTRIX: mass translator into pathways Suhre, Karsten Schmitt-Kopplin, Philippe Nucleic Acids Res Articles Recent technical advances in mass spectrometry (MS) have brought the field of metabolomics to a point where large numbers of metabolites from numerous prokaryotic and eukaryotic organisms can now be easily and precisely detected. The challenge today lies in the correct annotation of these metabolites on the basis of their accurate measured masses. Assignment of bulk chemical formula is generally possible, but without consideration of the biological and genomic context, concrete metabolite annotations remain difficult and uncertain. MassTRIX responds to this challenge by providing a hypothesis-driven approach to high precision MS data annotation. It presents the identified chemical compounds in their genomic context as differentially colored objects on KEGG pathway maps. Information on gene transcription or differences in the gene complement (e.g. samples from different bacterial strains) can be easily added. The user can thus interpret the metabolic state of the organism in the context of its potential and, in the case of submitted transcriptomics data, real enzymatic capacities. The MassTRIX web server is freely accessible at http://masstrix.org Oxford University Press 2008-07-01 2008-04-28 /pmc/articles/PMC2447776/ /pubmed/18442993 http://dx.doi.org/10.1093/nar/gkn194 Text en © 2008 The Author(s) http://creativecommons.org/licenses/by-nc/2.0/uk/ This is an Open Access article distributed under the terms of the Creative Commons Attribution Non-Commercial License (http://creativecommons.org/licenses/by-nc/2.0/uk/) which permits unrestricted non-commercial use, distribution, and reproduction in any medium, provided the original work is properly cited.
spellingShingle Articles
Suhre, Karsten
Schmitt-Kopplin, Philippe
MassTRIX: mass translator into pathways
title MassTRIX: mass translator into pathways
title_full MassTRIX: mass translator into pathways
title_fullStr MassTRIX: mass translator into pathways
title_full_unstemmed MassTRIX: mass translator into pathways
title_short MassTRIX: mass translator into pathways
title_sort masstrix: mass translator into pathways
topic Articles
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2447776/
https://www.ncbi.nlm.nih.gov/pubmed/18442993
http://dx.doi.org/10.1093/nar/gkn194
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