NXT Spectra Software Suite

NXT Spectra represents the next generation of GC-MS analysis, enabling laboratories to evaluate complex data faster, more reliably and more efficiently. The software automates the identification of unknown compounds and significantly reduces manual interpretation effort – from aroma and flavor analysis to reaction elucidation and quality control.

In daily laboratory work, this translates into higher sample throughput, reduced dependency on individual expertise, and a substantially increased identification rate – even for true unknowns. NXT Spectra provides particular value where classical library matching reaches its limits and manual data evaluation becomes time-consuming and uncertain.

Today, NXT Spectra is already used across a wide range of application areas, including aroma and fragrance analysis, extractables and leachables, metabolomics, basic and fine chemicals, as well as incoming goods inspection and quality control. The software supports both exploratory tasks in research and development and reproducible analyses in routine laboratory environments.

At the core of NXT Spectra are two AI models specifically developed for GC-MS data analysis:

1. METIS supports the automated structure elucidation of unknown compounds by directly evaluating spectra and existing fragmentation patterns, enabling the identification of previously unseen substances.
2. IRIS validates these predictions by generating realistic mass spectra based on proposed molecular structures and likely bond cleavages.

These models are complemented by one of the world’s largest reference databases, containing more than 10 million spectra. For users, this results in clear benefits: reliable structure proposals, transparent results and a significantly improved basis for confident decision-making.

The software is vendor-agnostic, optimized for common GC-MS systems and ready for immediate use. Its intuitive, browser-based interface allows a fast start without extensive training or complex IT requirements. NXT Spectra integrates seamlessly into existing workflows and supports laboratories in sustainably digitalizing their GC-MS analytics and preparing for future analytical challenges.