AI‑Driven Tools for Rapid Structure Elucidation of Unknown Compounds Using GC‑HRTOFMS

Release Date: 2026/03/08

This webinar introduces an advanced qualitative workflow that integrates the JEOL JMS‑T2000GC GC‑HRTOFMS with msFineAnalysis AI to significantly accelerate structural elucidation of unknown compounds. Conventional GC/MS workflows depend on EI library matching, yet many real‑world analytes are not represented in commercial databases. The T2000GC provides high‑resolution and soft‑ionization data (FI/PI/CI) essential for determining accurate molecular formulas, forming a reliable foundation for downstream structural analysis.
Building on these data, msFineAnalysis AI offers an integrated workflow that combines EI and soft‑ionization spectra, deconvolution, retention‑index prediction, molecular‑formula estimation, and an extensive AI‑generated library of over 200 million predicted EI spectra. This allows users to efficiently narrow down structural candidates and evaluate them with higher confidence, especially in metabolomics, polymer pyrolysis, GC×GC aroma analysis, and other applications involving complex mixtures.
Through multiple case studies, the webinar will illustrate how this combined approach enhances speed, consistency, and analytical depth in modern GC‑MS–based structural elucidation.

This seminar will be delivered online in an on-demand format, available for a limited time. Enjoy the flexibility to view the content anytime, anywhere during the designated period.

By attending this webinar you will learn…

• How GC‑HRTOFMS and soft‑ionization data strengthen molecular‑formula determination and support structural elucidation.

• How msFineAnalysis AI uses EI/SI data, RI prediction, and a large AI spectral library to narrow down structural candidates efficiently.

• How integrated workflows (GC×GC, differential analysis, AI tools) help interpret complex mixtures more quickly and consistently.

Who should attend?

• Metabolomics, food‑aroma, and life‑science researchers needing deeper structural insight into unknown components.

• Polymer/materials scientists working with pyrolysis GC‑MS.

• Environmental and non‑target screening analysts requiring faster structural‑elucidation workflows.

Related Products

JMS-T2000GC AccuTOF™ GC-Alpha 2.0 Gas Chromatograph - Time-of-Flight Mass Spectrometer

msFineAnalysis AI Ver. 3 Unknown Compounds Structure Analysis Software

Presenter	Masaaki Ubukata MS Business Unit SI Business Operations JEOL Ltd.
On-Demand Viewing Period	May 13 (Wed) to May 15 (Fri), 2026 Please note that the dates are based on Japan Standard Time (JST). Kindly check your local time zone when accessing the content.
Fee	Free
Presentation Materials	You can download these materials after completing the post-presentation survey.
Recording	The recording of the webinar will be posted on the "Webinar Archive" page at a later date. We will notify you via our e-newsletter and social media once it becomes available.
Q&A Session	There will be no Q&A session following the presentation.
Contacts	E-mail：sales1[at]jeol.co.jp Demand Generation Div. JEOL Ltd. please use @ for [at]

Registration

Please register here.

• For those who have registered, we will send you information on how to access the video viewing page approximately three days before the scheduled start date. We kindly ask for your patience until then.
• Please note that we may not be able to accept registrations from other companies in the same industry.