Application Example: A Benchtop 1H NMR Workflow on the Fourier 80 (Food, Polymer, & Pharmaceutical Use Cases) Benchtop NMR enables fast, information-rich spectral screening that can support authenticity checks, formulation comparisons, and stability studies across food, polymer, and pharmaceutical workflows. Below is a representative “sample-to-spectrum” process performed on the Fourier 80 Benchtop NMR Spectrometer, showing what the workflow produces and the types of outputs users can export for downstream reporting and chemometric analysis. What This Example Demonstrates This example shows a practical acquisition and analysis flow for routine 1H NMR screening. The workflow begins with experiment setup and acquisition in the GoScan interface, followed by spectral analysis and comparison in TopSpin. The goal is to generate a reproducible spectrum, then extract the common reporting outputs used in comparative testing: Spectrum visualization (full range view and zoomed regions) Peak picking (chemical shift positions for key resonances) Integrations (relative quantitative comparisons across defined regions) Exported datasets for archiving, reporting, or external processing Step 1: Select a Standard Experiment A routine workflow typically begins in the GoScan software by selecting a predefined experiment (e.g., 1H short / 1H long) from the experiment library. This standardization supports repeatability across operators and samples, which is essential for trending and comparisons. As seen here: Step 2: Acquire and Confirm a Finished Dataset After acquisition in GoScan, the dataset details screen confirms experiment name, sample ID, acquisition time, status, and the export destination. This provides traceability for regulated or audit-ready environments and supports consistent data management across sample sets. As seen here: Step 3: Review Peaks and Integrals for Comparative Screening After acquisition, spectra can be opened in TopSpin for detailed spectral analysis. For many screening applications, the most actionable outputs are chemical shift positions (peak picking) and region-based integrals. TopSpin also includes advanced quantitative options such as ERETIC (Electronic Reference To access In vivo Concentrations) tools, which enable reproducible quantification without requiring internal standards. Automated processing routines and analysis scripts in TopSpin can further streamline routine workflows and support high-throughput screening. These outputs are commonly used to compare: Food & beverage: authenticity screening, batch-to-batch consistency, and compositional comparison (e.g., edible oils, beverages) Polymers: residual monomers/solvents, conversion trends, and formulation checks by comparing spectral fingerprints Pharmaceuticals: raw material verification, formulation comparisons, and stability-related fingerprint changes In this workflow example, the spectrum view highlights peak labels and an integral trace for rapid comparison across samples. As seen here: Step 4: Compare Multiple Samples with the Same Method Within TopSpin, multiple spectra can be overlaid or compared using the same acquisition method. This enables users to visually and quantitatively compare fingerprint regions, peak positions, and integral ratios across datasets. A common benchtop NMR use pattern is running the same method across multiple samples and comparing spectral features to answer practical questions such as: Does a new lot match the established spectral fingerprint? Do defined integral ratios shift after storage or processing? Are there new resonances consistent with contamination, adulteration, or degradation? As seen here: Step 5: Export for Reporting, Archiving, or External Analysis Once reviewed, datasets can be exported for documentation, reporting, archiving, or downstream processing. Bruker’s ACP (Analysis and Calculation Package) tools can generate structured reports that summarize spectral results, peak lists, and quantitative metrics in formats that are easy for non-expert users to interpret. This type of report output is particularly useful for quality control environments where analysts or managers may need clear, standardized summaries rather than full spectral interpretation. View Fourier 80 Benchtop NMR Spectrometer Summary This example shows a practical Fourier 80 workflow: selecting a standardized experiment and acquiring data in GoScan, performing spectral analysis and comparison in TopSpin, and exporting results for reporting or further analysis. This style of benchtop 1H NMR process supports rapid decision-making across food, polymer, and pharmaceutical environments where repeatable spectral fingerprints and comparative metrics are valuable. References Rotunda Scientific Technologies – Fourier 80 Benchtop NMR Spectrometer https://www.rotundascitech.com/products/fourier-80-benchtop-nmr-spectrometer Bruker – TopSpin | NMR Data Analysis (software overview) https://www.bruker.com/en/products-and-solutions/mr/nmr-software/topspin.html IUPAC Gold Book – “nuclear magnetic resonance spectrum (NMR spectrum)” https://goldbook.iupac.org/terms/view/08384 Parker, T. et al. (2014) “60 MHz 1H NMR spectroscopy for the analysis of edible oils” (open access, PMC) https://pmc.ncbi.nlm.nih.gov/articles/PMC4024201/ Barison, A. et al. (2010) “Determination of fatty acid composition in edible oils through 1H NMR spectroscopy” (publisher page) https://analyticalsciencejournals.onlinelibrary.wiley.com/doi/abs/10.1002/mrc.2629 This article was written in part with the assistance of AI to help organize and summarize publicly available information.
