ChemInnovation

ChemInnovation's NXT Spectra is a scientific computing tool that automates GC-MS data analysis and identifies unknown molecules using AI. It processes raw data from common GC-MS instruments and provides results without installation.

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At a glance

Pricing

Likely Not Free

Free tier

API

Skill level

Technical

About

What is ChemInnovation?

ChemInnovation's NXT Spectra is an AI-powered software designed to revolutionize GC-MS data analysis for scientists and researchers. It automates the structural elucidation and interpretation of GC-MS data using artificial intelligence and hybrid databases. The tool identifies molecular structures even when no matching database reference exists, significantly increasing identification rates. NXT Spectra is compatible with raw data from all common GC-MS systems (e.g., Agilent, Thermo, Shimadzu, PerkinElmer) and operates as a browser-based software, requiring no installation. It streamlines workflows by automating peak-picking, denoising, and background subtraction, allowing for faster and more precise analysis of samples.

Best used for

Ideal for analytical scientists and lab leads who need to automate GC-MS data analysis, identify unknown compounds, and accelerate their research workflows. Especially valuable for those in aroma, environmental, pharma, and chemical analytics seeking to improve efficiency and accuracy in molecular identification.

Common actions

analyze GC-MS data

identify unknown molecules

automate lab workflows

interpret mass spectra

Capabilities

Key features

AI-powered molecular identification
Automated GC-MS data processing
Hybrid database structure elucidation
Compatible with common GC-MS
Browser-based, no installation
Automated peak-picking/denoising

Target Audience

data scientistresearcheranalytical scientistlab lead

Integrations

Not yet documented

Pricing & Plans

Likely Not Free

Not publicly disclosed. Check cheminnovation.de for current pricing.

FAQs

Which GC-MS instruments are compatible with NXT Spectra?

NXT Spectra is manufacturer-agnostic and works with raw data from all common GC-MS systems, including Agilent, Thermo, Shimadzu, and PerkinElmer. It accepts standard data formats without additional conversion, optimized for low-resolution quadrupole GC-MS.

Can I use my own databases with NXT Spectra?

Yes, you can integrate your own structures or libraries into NXT Spectra. This allows the software to prioritize known molecules or use them as internal references during the analysis process.

Does NXT Spectra's AI learn from my data?

No, your data is not automatically used for training the AI. All data is encrypted during transmission and processing, with no sharing or use for other customers or general training processes. Custom AI models can be developed for specific company needs.

Can NXT Spectra separate overlapping spectra through deconvolution?

Deconvolution is currently under development. Initial internal models show promising results, and these capabilities are planned for gradual integration into the software starting from Q1 2026.

Is NXT Spectra available for LC-MS data analysis?

Currently, NXT Spectra is optimized for EI-based GC-MS data and is not available for LC-MS. The software focuses on providing specialized and accurate analysis for gas chromatography-mass spectrometry applications.

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