NMR Software

AssureNMR

Integrated Solution for Confident Chemical and Material Specificity, Quantity, and Classification Screening. Running interactively or in full automation: from sample submission to report, GxP compliant

Integrated Solution for Confident Chemical and Material Specificity, Quantity and Classification Screening.

Available with tools for spectra database creation, identification, and quantification of compounds in complex mixtures as well as tools for chemometrics, including multivariate statistics.

New Applications

Well-proven for the qNMR and quality control of small molecule APIs and raw materials, AssureNMR can now efficiently and accurately evaluate complex mixtures such as biologics, biofluids, and cell culture media. Targeted fingerprinting enables identification and quantification of key metabolites of cell culture media to indicate when the material is out of specification required for optimal production. The identification of components is enhanced by access to large, public databases.

Marco Guerrini from Ronzoni Institute, an expert in the analysis of the biologic heparin, said: “AssureNMR increases the analysis speed and is customizable. It allows the skilled NMR user to automate their workflow and make their sophisticated method of NMR acquisition and analysis accessible to any NMR lab, even one without an expert in the field of glycosaminoglycans.”

Anthony Ribeiro, Ph.D., of Duke University Medical Center said: “These features represent major enhancements to the AssureNMR software package for the detailed analysis of biofluid systems.”

(1) L. Poppe et al., Anal. Chem. 2013, 85, 9623−9629; L. Poppe st al., Anal.Chem. 2015, 87, 5539-5524.

 

A Track Record of Reliability

AssureNMR can be used to provide a detailed summary of sample composition and classification of a wide variety of samples, all in complete automation.

Featuring full integration for instrument control, AssureNMR uses Assure-System Suitability Test to verify and optimize the instrument performance. With capacity for use within GMP environments, AssureNMR provides a traceable record of sample analysis and results, ideal for R&D and production environments that need documentation of performance qualification tests.

Choose Your Solution

With new capabilities and product levels, you can choose the one that best fits your screening needs:

  • Launch: offers spectral database building tools with component identity search. Includes AssureSST and CMC-Assist
  • Ascent: enables of all of the above plus automated multi-component identity search, quantification and reporting. Fully customizable. Includes residual solvent SBASE
  • Summit: enables of all of the above plus statistical analysis package, detection of outliers, an additional desktop software license and AMIX

Applications

Industrial Applications & Solutions

  • Aloe Vera quality control
  • Heparin sodium screening
  • Pharmaceutical material validation
  • Identify components within chemical aterials
  • Characterization of polymers and base oils
  • Identity and quality assurance of botanicals
  • Metabolic profiling analysis
  • Material characterization

For use when:

  • Similar analysis is needed on serveral samples
  • SOPs are utilized
  • Searching for specific materials
  • Quantification of components is needed
  • Calculations based on spectral integrations is needed
  • Quality control is required

Technical Details

Mixture and Pure Material Analysis

Component Analysis

  • Component identification
  • Absolute and relative quantification
  • Equation builder tool

Spectral Database (SBASE)

  • SBASE generation tools
  • SBASE matching tools

Material Identity

Chemometric Analysis

  • Quantile Plot
  • SIMCA Outlier Detection
  • Multi-class classification
  • PLS Regression

Instrument Integration

  • Workflow management
  • Data quality check
  • System suitability tests for instrument optimization and verification

Automation

  • Data Acquisition
  • Quantitative and Qualitative Analysis
  • Report Generation

Fully Customizable

GxP Compatible

NMR System Requirements

  • TopSpin 3.5 for Windows 7
  • AVANCE II or newer console
  • NMR probe equipped with ATM and PT-100 or BTO-2000
  • BVT
  • BCU05

Training Videos

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