qNMR Spinsolve Software Module 

Fully automated quantification in regulated environments with benchtop NMR 

(주)비케이인스트루먼트는 Magritek사의 독점대리점으로 Benchtop NMR Spectrometer 장비를 보다 합리적인 가격으로 제공합니다! 

저희 (주)비케이인스트루먼트에서 보유하고 있는 Spinsolve 데모 장비를 통해 NMR Sample 측정도 가능합니다. 

샘플 측정과 관련하여 온라인 문의 게시판으로 문의 주시면 자세하게 안내 도와 드리겠습니다! 

Check out our video: 

qNMR Spinsolve Software Module

Magritek is pleased to present the qNMR module that is available in the Spinsolve software to automate the measurement, data processing, and report generation.

The user interface is especially useful when these measurements are required for quality control at the production site, where typically non-NMR experts need single click solutions.

For further studies please read our corresponding blogposts:

· Blogpost Fully automated quantification in regulated environments with the Spinsolve benchtop NMR

 

· Blogpost Benchtop qNMR evaluation

 

· Blogpost qNMR on samples from the production plant – Quantify multiple analytes without sample preparation in the presence of protonated solvents with a single measurement.

 

· Blogpost Quantitative NMR with internal standard on a Spinsolve benchtop NMR spectrometer

Description

The Spinsolve qNMR software module has been designed to allow for a quick and easy set-up of qNMR methods, while offering flexible processing functions to accommodate the 

different types of applications. Methods using internal or external standards can be generated through a graphical user interface where a variety of graphical data visualization and 

statistical tools are available. Moreover, the qNMR plug-in is fully integrated with the Spinsolve audit module to provide user management as well as full traceability of all 

measurement and processing steps.  This feature is particularly required in GxP regulated environments.

To demonstrate how easy it is to work with the qNMR module, we took as example the implementation of the assay determination of diclofop methyl, which was discussed in an 

earlier blog post. As described there, the assay of a substance can be determined by using the following equation:

Figure 1: The user input parameter, data display and results panels of the qNMR module which also allows for a complete automatic report generation 

Administrators who have configuration access can set up new methods or modify existing methods and do have access to all acquisition, processing, and analysis parameters via 

the graphical user interface. In addition to the standard one-pulse proton experiment, qNMR methods can be set up with more advanced pulse programs including heteronuclear 

decoupling or solvent suppression. Moreover, different nuclei like 19F, 31P, 7Li or 23Na can be also used for the quantification.

List of protocols available for automated qNMR measurements:

1D EXTENDED+
1D PROTON FDEC
1D PROTON CDEC
1D PROTON PDEC
1D PRESAT
1D PRESAT MULTI
1D FLUORINE+
1D FLUORINE HDEC
1D CARBON+
WALTZ
1D CARBON HFDEC
APT WALTZ
1D PHOSPHORUS + WALTZ
1D LITHIUM+ WALTZ
1D SODIUM+ WALTZ 

Figure 1: The user input parameter, data display and results panels of the qNMR module which also allows for a complete automatic report generation 

Figure 3: An external qNMR method with three calibration measurements loaded which are set to be the default calibration for this method.

To allow simple integration in GLP/GMP regulated environments, the qNMR module is fully embedded in the user management and audit module of the 

Spinsolve software. In this way, all steps are fully traceable with the audit trail functionalities.