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Heinrich, Paul ; Kohler, Christian ; Ellmann, Lisa ; Kuerner, Paul ; Spang, Rainer ; Oefner, Peter J. ; Dettmer, Katja

Correcting for natural isotope abundance and tracer impurity in MS-, MS/MS- and high-resolution-multiple-tracer-data from stable isotope labeling experiments with IsoCorrectoR

Heinrich, Paul, Kohler, Christian , Ellmann, Lisa, Kuerner, Paul, Spang, Rainer, Oefner, Peter J. und Dettmer, Katja (2018) Correcting for natural isotope abundance and tracer impurity in MS-, MS/MS- and high-resolution-multiple-tracer-data from stable isotope labeling experiments with IsoCorrectoR. Scientific Reports 8 (17910), S. 1-10.

Veröffentlichungsdatum dieses Volltextes: 08 Jan 2019 14:09
Artikel
DOI zum Zitieren dieses Dokuments: 10.5283/epub.38168


Zusammenfassung

Experiments with stable isotope tracers such as C-13 and N-15 are increasingly used to gain insights into metabolism. However, mass spectrometric measurements of stable isotope labeling experiments should be corrected for the presence of naturally occurring stable isotopes and for impurities of the tracer substrate. Here, we analyzed the effect that such correction has on the data: omitting ...

Experiments with stable isotope tracers such as C-13 and N-15 are increasingly used to gain insights into metabolism. However, mass spectrometric measurements of stable isotope labeling experiments should be corrected for the presence of naturally occurring stable isotopes and for impurities of the tracer substrate. Here, we analyzed the effect that such correction has on the data: omitting correction or performing invalid correction can result in largely distorted data, potentially leading to misinterpretation. IsoCorrectoR is the first R-based tool to offer said correction capabilities. It is easy-to-use and comprises all correction features that comparable tools can offer in a single solution: correction of MS and MS/MS data for natural stable isotope abundance and tracer impurity, applicability to any tracer isotope and correction of multiple-tracer data from high-resolution measurements. IsoCorrectoR's correction performance agreed well with manual calculations and other available tools including Python-based IsoCor and Perl-based ICT.



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Details

DokumentenartArtikel
Titel eines Journals oder einer ZeitschriftScientific Reports
Verlag:Nature
Ort der Veröffentlichung:LONDON
Band:8
Nummer des Zeitschriftenheftes oder des Kapitels:17910
Seitenbereich:S. 1-10
Datum19 November 2018
InstitutionenMedizin > Institut für Funktionelle Genomik > Lehrstuhl für Funktionelle Genomik (Prof. Oefner)
Medizin > Institut für Funktionelle Genomik > Lehrstuhl für Statistische Bioinformatik (Prof. Spang)
Informatik und Data Science > Fachbereich Bioinformatik > Lehrstuhl für Statistische Bioinformatik (Prof. Spang)
Identifikationsnummer
WertTyp
30559398PubMed-ID
10.1038/s41598-018-36293-4DOI
Stichwörter / KeywordsMASS-SPECTROMETRY; C-13; DISTRIBUTIONS;
Dewey-Dezimal-Klassifikation600 Technik, Medizin, angewandte Wissenschaften > 610 Medizin
StatusVeröffentlicht
BegutachtetJa, diese Version wurde begutachtet
An der Universität Regensburg entstandenJa
URN der UB Regensburgurn:nbn:de:bvb:355-epub-381682
Dokumenten-ID38168

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