Compound identification in metabolomics: a study with the use of two different GC data processing systems
- Authors: Buszewska-Forajta M.1, Kordalewska M.1, Bartosińska E.1, Siluk D.1, Kaliszan R.1
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Affiliations:
- Department of Biopharmaceutics and Pharmacodynamics
- Issue: Vol 71, No 6 (2016)
- Pages: 617-623
- Section: Articles
- URL: https://journals.rcsi.science/1061-9348/article/view/181810
- DOI: https://doi.org/10.1134/S1061934816060046
- ID: 181810
Cite item
Abstract
The present paper reports a comparison study of two data processing procedures in GC–MS metabolome components investigation based on two modern softwares: Automated Mass Spectral Deconvolution and Identification System (AMDIS) and GC–MS Solution Postrun Analysis (GC–MS SPA). GC–MS SPA is intended for manual integration and identification, while AMDIS is proposed as a fast, and automatic data analysis tool. Both methods are based on the same free-access library. In the present study, 12 compounds previously detected in a metabolomic fingerprint of grasshopper abdominal secretion, were tested at three concentration levels: 2.5, 5 and 10 μg/mL. The processing procedures were evaluated by comparison of peak area ratio for each tested concentration. The obtained results proved that processing with the use of AMDIS was more sensitive and enabled the identification of all compounds at the lowest selected concentration. Additionally, the differentiation of structurally similar compounds was possible with the use of AMDIS software.
About the authors
M. Buszewska-Forajta
Department of Biopharmaceutics and Pharmacodynamics
Author for correspondence.
Email: mbuszewska@gumed.edu.pl
Poland, Al. Gen. J. Hallera 107, Gdansk, 80-416
M. Kordalewska
Department of Biopharmaceutics and Pharmacodynamics
Email: mbuszewska@gumed.edu.pl
Poland, Al. Gen. J. Hallera 107, Gdansk, 80-416
E. Bartosińska
Department of Biopharmaceutics and Pharmacodynamics
Email: mbuszewska@gumed.edu.pl
Poland, Al. Gen. J. Hallera 107, Gdansk, 80-416
D. Siluk
Department of Biopharmaceutics and Pharmacodynamics
Email: mbuszewska@gumed.edu.pl
Poland, Al. Gen. J. Hallera 107, Gdansk, 80-416
R. Kaliszan
Department of Biopharmaceutics and Pharmacodynamics
Email: mbuszewska@gumed.edu.pl
Poland, Al. Gen. J. Hallera 107, Gdansk, 80-416