The next generation of GC-MS data analysis

NXT Spectra automatically handles all steps of data processing — from peak detection and spectrum refinement to the complete structural elucidation.

METIS

Molecules from ElecTron Ionization Spectra

METIS interprets fragmentation patterns directly. This allows it to identify structures even without reference data.

Eigenschaften

Unbekannten Aufklärung

Direkte Interpretation

Anwendungsunabhängig

Konfidenz Score

IRIS

Intelligent Reconstruction of Ionization Spectra

IRIS follows chemical principles to generate realistic EI spectra for known and novel structures.

Eigenschaften

Spektren Vorhersage

Virtuelle Datenbanken

Struktur Validierung

Experimentelle Genauigkeit

AI-Assisted Analysis

Automated Workflows

Quick Results

Excellent Precision

Intelligent Preprocessing

Scalable technology

Stabile Resultate

Seamless Integration

API-Driven Architecture

Dynamic Content Generation

Customizable Solutions

Efficient Automation

Enhanced User Experience

Software Architecture

Everything works together

NXT Spectra features several modules that seamlessly work together to fully automate GC-MS data analysis:

Our process

How to work with us

Understanding

We analyze your question and assess whether NXTSpectra is suitable for your application.

Termin vereinbaren

Short conversation, no preparation

Experience

We will show you NXT Spectra in action and explain the workflow, technology, and use cases.

NXT Spectra kennenlernen

Live demo · 45–60 minutes · incl. Q&A

Testing

We will set up your account and guide you through testing with your own GC-MS data.

Mit eigenen Daten testen

Welcome Kit · 4 weeks · 5 samples

Decide

Based on the results, together we find the right solution for your work routines.

Nächste Schritte besprechen

Based on your data

Mission

Our journey to revolutionizing GC-MS data analysis

How we are building the smart solution for structure elucidation - deciphering unknowns for responsible chemistry.

Q1 2026

Naming of Molecules

Structures within NXT Spectra now have their names attached to them. Obtain IUPAC, trivial and alternative names for more than 100 Mio. compounds and add your own identifiers.

Vendor Formats

NXT Spectra can now read raw data formats for most quadrupole GC-MS machines. Supported formats will include Agilent, Shimadzu, Thermo Fischer, Bruker and various open file types.

Q2 2026

Reporting

A reporting procedure now allows to export relevant information for internal and external partners. Report your results as accessible PDF- or data rich CSV-file.

Deconvolution

Overlapping and superimposed peaks will now be deconvoluted automatically with precision. Obtain clear spectra and accurate results even for crowed measurements and complex samples.

Q3 2026

Retentions Indices

With this improvement retention indices become available for every peak, structure and different columns. Add your reference data and NXT Specta will automatically improve your results.

Workflows

Manually coping or marking correct results is tedious. Select the target of your analysis and the NXT Spectra workflow will guide you. Save and adjust predictions towards the optimal result.

Q4 2026

METIS AI 2.0

After two years of optimization AI spectrum interpretations will now be scientifically more accurate. With this improvement unknown elucidation will become easier than every before.

Q1 2027

Smart Filters

Our knowledge of a sample is not just GC-MS but its application and chemistry. Smart filters supply NXT Specta with chemical and analytical information to automatically improve your results.

Performance Optimization

Our AI-models, algorithms and filters are resource hungry. To ensure you can get results as quickly as possible we will optimize every module of NXT Spectra.

Q2 2027

Explainable AI-Results

Accurate results are great but sometimes we need to understand the reason behind it. Now NXT Spectra will inform you about how compounds fragment were and why a prediction was made.

Stereochemistry

While diastereomers usually yield similar spectra, they show differences in intensities and retention time. We cannot promise to give you the correct diastereomer, but we will try

Technical User Guide