Research Topic

The Tandem of 1H Iterartive Full Spin Analysis and Quantitative 1H NMR for Botanical Analysis


This site provides extended information on the title topic and is related to the following publication:

Napolitano J, Gödecke T, Rodriguez Braso MF, Jaki BU, Chen SN, Lankin D, Pauli GF
The Tandem of Full Spin Analysis and qHNMR for the Quality Control of Botanicals Exemplified with Ginkgo biloba
Journal of Natural Products, 75: in press (2012)

Full Spin Analysis Data Repository (PMS Files) for Botanical Marker Compounds

The following files contain full sets of 1H NMR spin parameters of marker compounds. From this information, the 1H NMR spectrum of each compound can be simulated.

The simulated 1H NMR spectra can be used for various purposes:

The data is in provided as .PMS [NMR parameters] files, which are in clear text format that can be read by any editor or text-based software, but also be directly used in the PERCH software package to simulate the spectrum.

Clicking on the PMS file links will show the files; or you can download them using the "Save As" function of your browser (typically, upon right mouse click or in context menu).

Ginkgo biloba (Ginkgoaceae)


How can I obtain more information? Please feel free to send inquiries to the corresponding author.

Important Note: The authors, in some instance together with other copyright holders, hold a copyright ownership interest in any copyrightable information provided on this website. Files may be downloaded for personal use only. Users are not otherwise permitted to reproduce, republish, redistribute, or sell any of this information, either in whole or in part, in either machine-readable form or any other form without permission from the authors. (c) 2014, UIC, Chicago (IL)