The Future of GC-MS Data Analysis

We decipher spectra

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

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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.

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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

Technical User Guide

Insight into NXT Spectra

Discover how NXT Spectra works, what the software can do, and what future developments are in the pipeline.

Methodology
Limitations & possibilities
Classification for your use case
Our partners
FAQ

Frequently Asked Questions

Which devices are compatible with NXT Spectra?
Can I use my own databases with NXT Spectra?
Can NXT Spectra separate overlapping spectra through deconvolution?
How accurate is AI identification with NXT Spectra?
Is NXT Spectra also available for LC-MS?
Can NXT Spectra display the names of molecules?
If I know which molecules I am looking for, can I calculate their spectra?
How can I filter results by atoms, molecular formulas, or similar criteria?
I have a lot of knowledge about my sample. Can I specify to the METIS AI which molecular formula, atoms, or functional groups are present?
How can I export my data?
Can I use NXT Spectra with high-resolution mass spectra, e.g., from a ToF mass spectrometer?
In which applications does the software work?
Does the AI learn from my data?
How is the protection of my data guaranteed?
Can I improve the AI with my data or annotations?
Does the software also use retention indices?
I have a somewhat unusual idea or question and cannot find the answer here.