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NTFD—a stand-alone application for the non-targeted detection of stable isotope-labeled compounds in GC/MS data

Summary: Most current stable isotope-based methodologies are targeted and focus only on the well-described aspects of metabolic networks. Here, we present NTFD (non-targeted tracer fate detection), a software for the non-targeted analysis of all detectable compounds derived from a stable isotope-lab...

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Autores principales: Hiller, Karsten, Wegner, André, Weindl, Daniel, Cordes, Thekla, Metallo, Christian M., Kelleher, Joanne K., Stephanopoulos, Gregory
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Oxford University Press 2013
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3634188/
https://www.ncbi.nlm.nih.gov/pubmed/23479350
http://dx.doi.org/10.1093/bioinformatics/btt119
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author Hiller, Karsten
Wegner, André
Weindl, Daniel
Cordes, Thekla
Metallo, Christian M.
Kelleher, Joanne K.
Stephanopoulos, Gregory
author_facet Hiller, Karsten
Wegner, André
Weindl, Daniel
Cordes, Thekla
Metallo, Christian M.
Kelleher, Joanne K.
Stephanopoulos, Gregory
author_sort Hiller, Karsten
collection PubMed
description Summary: Most current stable isotope-based methodologies are targeted and focus only on the well-described aspects of metabolic networks. Here, we present NTFD (non-targeted tracer fate detection), a software for the non-targeted analysis of all detectable compounds derived from a stable isotope-labeled tracer present in a GC/MS dataset. In contrast to traditional metabolic flux analysis approaches, NTFD does not depend on any a priori knowledge or library information. To obtain dynamic information on metabolic pathway activity, NTFD determines mass isotopomer distributions for all detected and labeled compounds. These data provide information on relative fluxes in a metabolic network. The graphical user interface allows users to import GC/MS data in netCDF format and export all information into a tab-separated format. Availability: NTFD is C++- and Qt4-based, and it is freely available under an open-source license. Pre-compiled packages for the installation on Debian- and Redhat-based Linux distributions, as well as Windows operating systems, along with example data, are provided for download at http://ntfd.mit.edu/. Contact: gregstep@mit.edu
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spelling pubmed-36341882013-04-24 NTFD—a stand-alone application for the non-targeted detection of stable isotope-labeled compounds in GC/MS data Hiller, Karsten Wegner, André Weindl, Daniel Cordes, Thekla Metallo, Christian M. Kelleher, Joanne K. Stephanopoulos, Gregory Bioinformatics Applications Notes Summary: Most current stable isotope-based methodologies are targeted and focus only on the well-described aspects of metabolic networks. Here, we present NTFD (non-targeted tracer fate detection), a software for the non-targeted analysis of all detectable compounds derived from a stable isotope-labeled tracer present in a GC/MS dataset. In contrast to traditional metabolic flux analysis approaches, NTFD does not depend on any a priori knowledge or library information. To obtain dynamic information on metabolic pathway activity, NTFD determines mass isotopomer distributions for all detected and labeled compounds. These data provide information on relative fluxes in a metabolic network. The graphical user interface allows users to import GC/MS data in netCDF format and export all information into a tab-separated format. Availability: NTFD is C++- and Qt4-based, and it is freely available under an open-source license. Pre-compiled packages for the installation on Debian- and Redhat-based Linux distributions, as well as Windows operating systems, along with example data, are provided for download at http://ntfd.mit.edu/. Contact: gregstep@mit.edu Oxford University Press 2013-05-01 2013-03-11 /pmc/articles/PMC3634188/ /pubmed/23479350 http://dx.doi.org/10.1093/bioinformatics/btt119 Text en © The Author 2013. Published by Oxford University Press. http://creativecommons.org/licenses/by/3.0/ This is an Open Access article distributed under the terms of the Creative Commons Attribution License (http://creativecommons.org/licenses/by/3.0/), which permits unrestricted reuse, distribution, and reproduction in any medium, provided the original work is properly cited.
spellingShingle Applications Notes
Hiller, Karsten
Wegner, André
Weindl, Daniel
Cordes, Thekla
Metallo, Christian M.
Kelleher, Joanne K.
Stephanopoulos, Gregory
NTFD—a stand-alone application for the non-targeted detection of stable isotope-labeled compounds in GC/MS data
title NTFD—a stand-alone application for the non-targeted detection of stable isotope-labeled compounds in GC/MS data
title_full NTFD—a stand-alone application for the non-targeted detection of stable isotope-labeled compounds in GC/MS data
title_fullStr NTFD—a stand-alone application for the non-targeted detection of stable isotope-labeled compounds in GC/MS data
title_full_unstemmed NTFD—a stand-alone application for the non-targeted detection of stable isotope-labeled compounds in GC/MS data
title_short NTFD—a stand-alone application for the non-targeted detection of stable isotope-labeled compounds in GC/MS data
title_sort ntfd—a stand-alone application for the non-targeted detection of stable isotope-labeled compounds in gc/ms data
topic Applications Notes
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3634188/
https://www.ncbi.nlm.nih.gov/pubmed/23479350
http://dx.doi.org/10.1093/bioinformatics/btt119
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