Journal article
Accurate mass–time tag library for LC/MS-based metabolite profiling of medicinal plants
Phytochemistry (Oxford), Vol.91, pp.187-197
07/2013
Handle:
https://hdl.handle.net/2376/104310
PMCID: PMC3697863
PMID: 23597491
Abstract
We report the development and testing of an accurate mass–time tag library for plant natural product profiling. [Display omitted]
► The development of an accurate mass–time tag approach for the identification of plant natural products is reported. ► LC/MS and MS/MS data sets were integrated into online spectral search tools and repositories. ► The utility was demonstrated by the detection of active principles in 27 medicinal plant species.
We report the development and testing of an accurate mass–time (AMT) tag approach for the LC/MS-based identification of plant natural products (PNPs) in complex extracts. An AMT tag library was developed for approximately 500 PNPs with diverse chemical structures, detected in electrospray and atmospheric pressure chemical ionization modes (both positive and negative polarities). In addition, to enable peak annotations with high confidence, MS/MS spectra were acquired with three different fragmentation energies. The LC/MS and MS/MS data sets were integrated into online spectral search tools and repositories (Spektraris and MassBank), thus allowing users to interrogate their own data sets for the potential presence of PNPs. The utility of the AMT tag library approach is demonstrated by the detection and annotation of active principles in 27 different medicinal plant species with diverse chemical constituents.
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Details
- Title
- Accurate mass–time tag library for LC/MS-based metabolite profiling of medicinal plants
- Creators
- Daniel J Cuthbertson - Institute of Biological Chemistry and M.J. Murdock Metabolomics Laboratory, Washington State University, Pullman, WA 99164-6340, USASean R Johnson - Institute of Biological Chemistry and M.J. Murdock Metabolomics Laboratory, Washington State University, Pullman, WA 99164-6340, USAJasenka Piljac-Žegarac - Institute of Biological Chemistry and M.J. Murdock Metabolomics Laboratory, Washington State University, Pullman, WA 99164-6340, USAJulia Kappel - Institute of Biological Chemistry and M.J. Murdock Metabolomics Laboratory, Washington State University, Pullman, WA 99164-6340, USASarah Schäfer - Institute of Biological Chemistry and M.J. Murdock Metabolomics Laboratory, Washington State University, Pullman, WA 99164-6340, USAMatthias Wüst - Institute of Nutrition and Food Sciences, University of Bonn, Endenicher Allee 11-13, 53115 Bonn, GermanyRaymond E.B Ketchum - Institute of Biological Chemistry and M.J. Murdock Metabolomics Laboratory, Washington State University, Pullman, WA 99164-6340, USARodney B Croteau - Institute of Biological Chemistry and M.J. Murdock Metabolomics Laboratory, Washington State University, Pullman, WA 99164-6340, USAJoaquim V Marques - Institute of Biological Chemistry and M.J. Murdock Metabolomics Laboratory, Washington State University, Pullman, WA 99164-6340, USALaurence B Davin - Institute of Biological Chemistry and M.J. Murdock Metabolomics Laboratory, Washington State University, Pullman, WA 99164-6340, USANorman G Lewis - Institute of Biological Chemistry and M.J. Murdock Metabolomics Laboratory, Washington State University, Pullman, WA 99164-6340, USAMegan Rolf - Donald Danforth Plant Science Center, 975 N. Warson Road, St. Louis, MO 63132, USAToni M Kutchan - Donald Danforth Plant Science Center, 975 N. Warson Road, St. Louis, MO 63132, USAD. Doel Soejarto - Department of Medicinal Chemistry and Pharmacognosy, College of Pharmacy, University of Illinois at Chicago, 833 S. Wood St. (M/C 781), Chicago, IL 60612, USAB. Markus Lange - Institute of Biological Chemistry and M.J. Murdock Metabolomics Laboratory, Washington State University, Pullman, WA 99164-6340, USA
- Publication Details
- Phytochemistry (Oxford), Vol.91, pp.187-197
- Academic Unit
- Biological Chemistry, Institute of
- Publisher
- Elsevier Ltd
- Identifiers
- 99900546758501842
- Language
- English
- Resource Type
- Journal article