Our Infrastructure

Analytical Infrastructure

NTS Analytica is a spinout from the Analytical Chemistry Group at the University of Copenhagen and has access to its chromatographic and mass spectrometric infrastructure through established collaboration agreements. This gives us access to a broad range of GC, LC, SFC, GC×GC and LC×LC platforms coupled with high-resolution mass spectrometry.

The Separation Stage

Chromatography: The Power of Separation

Before compounds can be identified by mass spectrometry, they must be separated. Complex matrices require modern chromatographic methods.

Liquid Chromatography (LC)

UHPLC systems optimized for rapid, high-resolution separation of polar and semi-polar chemical species.

Gas Chromatography (GC)

Modern GC systems utilizing capillary columns for volatile and semi-volatile contaminant analysis.

Supercritical Fluid Chromatography (SFC)

SFC providing orthogonal separation power for chiral mixtures and very polar compounds.

Multidimensional (2D)

LC×LC and GC×GC coupling two orthogonal separation phases to resolve co-eluting peaks in highly complex biological and environmental matrices.

High-Resolution Detection

Mass Spectrometry: Confident Elucidation

The core of NTS Analytica's NTS engine lies in accurate mass analysis. We toggle between technologies based on analytical needs.

Quadrupole Time-of-Flight

Q-TOF: Speed, Selectivity, and Isotopic Accuracy

Q-TOF platforms offer rapid spectral acquisition rates (up to 50 Hz) and high dynamic range, making them the gold standard for high-throughput screening and differential sample comparison. By resolving isotopic patterns with high mass accuracy (< 3 ppm), they facilitate fast verification of molecular formulas against large suspect lists.

✓ High acquisition speeds suitable for narrow peaks in UHPLC and LC×LC.
✓ Full scan MS and data-dependent MS/MS acquisition for retrospection.
✓ Mass accuracy supporting empirical formula confirmation.

Fourier Transform Mass Spectrometry

Orbitrap: Ultra-High Resolution Structure Elucidation

When dealing with complex isobaric matrices (different compounds sharing the same nominal mass) or requiring absolute confirmation of a chemical structure, we deploy Orbitrap systems. Delivering ultra-high resolutions (up to 240,000 FWHM – Full Width at Half Maximum, or higher), these systems separate overlapping features and resolve fine isotopic signatures (such as nitrogen/carbon isotopes), removing all ambiguity in formula assignments.

✓ Resolution power that easily distinguishes compounds differing by less than 1 mDa.
✓ Intricate MSn fragmentation trees to map chemical structure step-by-step.
✓ Ideal for definitive structural elucidation of true chemical unknowns.

Our Method

Technical Process & Pipeline

For research partners and advanced stakeholders: a detailed mapping of how we process mass spectral data into confidence-based chemical identifications.

1

Sample Prep & HRMS Acquisition

We utilize optimized extraction protocols designed to preserve maximum chemical diversity. Samples are analyzed via LC, SFC or GC coupled to high-resolution mass spectrometers to generate high-precision mass data.

2

Data Processing & Feature Detection

Raw files are processed using optimized algorithms for peak alignment, deconvolution, and chemical noise filtering. We compile thousands of signals into a clean list of unique molecular features characterized by exact mass, isotope ratios, and retention time.

3

Identification (Suspect & NTS)

We perform rapid screening against extensive local and public spectral databases for suspect compounds. For true unknowns, structural elucidation is conducted via in-silico fragmentation, isotopic fine structure analysis, and retention time modeling.

4

Confidence-Based Reporting

We value scientific integrity. Every identified or proposed compound is annotated according to the Schymanski Scale of Confidence (Levels 1 to 5), ensuring you know the precise level of validation behind every result.