Artificial intelligence is rapidly changing how GC-MS data is analyzed and interpreted. At NXT Spectra, we develop AI-powered software for automated GC-MS structure elucidation, designed to reduce manual effort and improve analytical clarity.
Artificial intelligence is rapidly changing how GC-MS data is analyzed and interpreted. At NXT Spectra, we develop AI-powered software for automated GC-MS structure elucidation, designed to reduce manual effort and improve analytical clarity.
In this product update, we share upcoming features in METIS, our AI-based GC-MS analysis platform, recent developments, and opportunities to connect with our team.
Starting in September 2025, NXT Spectra will introduce automated EI mass spectra prediction as part of the GC-MS workflow.
Based on AI-generated structure proposals, METIS simulates EI spectra and enables direct comparison with experimental GC-MS data. This allows users to
This feature is particularly relevant for applications in food and flavor analysis, fine chemicals, pharmaceuticals, and environmental analytics, where unknown compounds are common.
We are releasing a new METIS frontend focused on usability, performance, and clarity.
There designed interface allows users to
The goal is to support routine GC-MS workflows without adding complexity.
Using AI-driven prediction models, NXT Spectra has generated more than 15 virtual EI spectral libraries, covering over 10 million predicted mass spectra.
These libraries span chemical domains such as
Virtual libraries enable users to explore chemical space beyond static databases and support large-scale comparison and hypothesis-driven analysis.
Our teamwill attend ChemSpec Europe on June 4, 2025, in Cologne. We look forward to discussing challenges in GC-MS analytics, AI-based data interpretation, and structure elucidation with peers from industry and research.
ChemInnovation has been selected as a finalist for the OUT OF THE BOX.NRW Award.
On June 5, 2025, we will pitch live at Hinterland of Things 2025in Bielefeld alongside startups working on industrial innovation, AI, and deeptech.
With our blog and updates, we aim to share practical insights into AI-driven analytical chemistry, including:
We regularly offer guided demo periods for laboratories interested inAI-based GC-MS analysis.
Upcoming demo window:
The next demo period will run from September 1–30, 2025.
If you are interested in testing AI-powered GC-MS structure elucidation, feel free to contact us for further details.
This is only the beginning. We will continue to expand METIS with new AI models, workflows, and features to support automated, reproducible, and scalableGC-MS analysis.
Stay tuned for future updates.
