Heinrich, Paul and Kohler, Christian and Ellmann, Lisa and Kuerner, Paul and Spang, Rainer and Oefner, Peter J. and 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. ISSN 2045-2322,
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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.
| Item Type: | Article |
|---|---|
| Uncontrolled Keywords: | MASS-SPECTROMETRY; C-13; DISTRIBUTIONS; |
| Subjects: | 600 Technology > 610 Medical sciences Medicine |
| Divisions: | Medicine > Institut für Funktionelle Genomik > Lehrstuhl für Funktionelle Genomik (Prof. Oefner) Medicine > Institut für Funktionelle Genomik > Lehrstuhl für Statistische Bioinformatik (Prof. Spang) |
| Depositing User: | Dr. Gernot Deinzer |
| Date Deposited: | 04 Oct 2019 06:24 |
| Last Modified: | 04 Oct 2019 06:24 |
| URI: | https://pred.uni-regensburg.de/id/eprint/13351 |
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