The Future of GC-MS Data Analysis

We decipher spectra

Our chemistry-based AI interprets your spectra into structures. Automatically and effortlessly.

Benefits

We automate your GC-MS workflows

NXT Spectra automates GC-MS data analysis and finds molecules that were previously unknown. With Ultra-large databases, Precise spectrum prediction and AI evaluations.

Structure elucidation beyond databases

NXT Spectra identifies molecular structures directly from EI spectra - even without a databases reference.

More samples in less time

Our intelligent algorithms process your GC-MS data automatically, reliably, and in seconds—from peak detection to reporting.

Compatible with your GC-MS

NXT Spectra fits into your laboratory. It reads raw data from common GC-MS instruments and delivers results without additional steps or specific data formats.

Intuitive & ready to use

Getting started with NXT Spectra couldn't be easier and requires no training. As browser-based software, NXT Spectra runs on any PC without installation.

Challenges

GC-MS data analysis is still too laborious today

Our AI models work accurately in almost any chemical space - supported by smart GC-MS algorithms that deliver clean spectra regardless of the sample, method, or instrument.

Manual steps slow teams down

Peak picking, background subtraction, and noise reduction take time and expertise - we automate everything.

Database coverage is limited

"...For unknowns, you need experts - or our AI.

Interpretation is subjective and error-prone

NXT Spectra delivers reproducible results - with scientific precision.

Book a Demo now

Solution

The platform that understands the unknowns

AI, ultra-large spectral databases, and automated data processing work together to identify substances that were previously hidden.

Faster workflows, same precision

For routine analysis, non-target analytics, reaction monitoring, quality control, or competitive analysis.

Up to +200% more identifications

With measured and AI spectra, NXT Spectra achieves 10x higher coverage than traditional libraries.

Clean spectra, ready to use

Peak picking, denoising, background subtraction - fully automated and hands-free.

Identifies molecules beyond known databases

Our AI interprets spectra directly and suggests structures – even for substances without any reference.

Testimonials

What our customers say

From fragrance and aroma through fine and specialty chemicals to the pharmaceutical industry. From quality control to research.

“

It was super easy to use, and I was able to jump right in. Since then, I've been able to analyse my samples 50% faster.

GC-MS Analysis Specialist

Working on extractables and leachables Analysis

“

It’s amazing! Whenever something is off, NXT Spectra immediately gives us an initial idea of the suspect structure. We can use this to troubleshoot quick and precise.

Lab Lead - Analytical Sciences

Supervises raw material inspection and QC

“

For our samples it finds >99% of all structures correctly. With this, it almost automizes GC-MS data analysis completely.

Analytical Scientist

Leads GC-MS analytics in a medium-sized enterprises (fine-chemicals)

“

With NXT Spectra, I get a better understanding of our by-products which allows me to optimize our reactions more efficiently.

Lab Lead - Research Laboratory

Optimes synthesis protocols for speciality chemicals

“

Metis is an innovative platform that integrates structural proposals into mass-spectrometry workflows, effectively accelerating and widening our workflows in the identification of natural products.

Prof. Dr. Stefan Schulz

Professor @ TU Braunschweig

“

I wish I already had such a powerful tool for unknown elucidation 20 years ago. In one case the AI generated gave the final hint to resolve a natural product structure we worked on for days.

Senior Scientist - Flavour Analysis

Elucidates unknowns in R&D & marketsample analytics

“

Ich war total überrascht, wie zuverlässig die GCMS-Analyse-Ergebnisse von METIS schon in der Probeversion waren. Mit der Nutzung von METIS könnten wir in Zukunft unseren Analyseaufwand auf einen Bruchteil reduzieren.

Julia Einhausen

GC-MS Expertin @ Lothar Streeck GmbH & Co.KG

News

All articles

10+ Million GC-MS Spectra: A Major METIS Update

ChemInnovation is preparing its largest product release to date. Starting September 2025, ultra-large virtual GC-MS spectral libraries with over 10 million AI-curated reference spectra will be fully integrated into the METIS platform, enabling faster and more comprehensive structure elucidation. The release is accompanied by a beta program, a new demo phase, and upcoming event appearances.

AI-Powered GC-MS Analysis: What’s New at ChemInnovation

Artificial intelligence is rapidly changing how GC-MS data is analyzed and interpreted. AtChemInnovation, we develop AI-powered software for automated GC-MS structure elucidation, designed to reduce manual effort and improve analytical clarity.

METIS Product Update: New Features, Community Growth, and What’s Next

Over the past months, we’ve had many conversations with laboratories, partners, and innovators working with GC-MS data. These discussions — especially around daily analytical challenges and the role AI can realistically play — continue to shape how we develop METIS, our AI-powered platform for GC-MS data interpretation.After an eventful first half of 2025, our focus remains clear: making analytical workflows faster, clearer, and more insightful.

Technical User Guide