Structural elucidation using GCxGC-TOFMS and machine learning for unknown metabolites in HeLa cell

The Multidimensional Chromatography Workshop 2025 Development of Unknown Compounds Analysis Method combining High-Resolution Mass Spectrometry, Soft Ionization Technique and AI Technology for Comprehensive 2-Dimensional Gas Chromatography JEOL Ltd. MS Business Unit, MS Application Group Masaaki Ubukata, Ph. D. Outlines •…

ANALYSIS OF AROMA COMPOUNDS IN SPICES BY COMPREHENSIVE TWO-DIMENSIONAL GAS CHROMATOGRAPHY/TIME-OF-FLIGHT MASS SPECTROMETRY WITH MACHINE LEARNING-BASED STRUCTURE ELUCIDATION AND MOLECULAR FORMULA ESTIMATION Azusa Kubota, Ayumi Kubo, Masaaki Ubukata [JEOL Ltd., Tokyo, Japan] 1. Introduction 3. Results 3-2. Why Compound A…

ESSENTIAL SEPARATIONS: ANALYSIS OF AROMA OILS BY ONE-DIMENSIONAL AND TWODIMENSIONAL GAS CHROMATOGRAPHY AND MASS SPECTROMETRY Multidimensional Chromatography Workshop Los Angeles, CA January 2024 Robert (Chip) Cody JEOL mass spectrometers used for this study Q1600GC UltraQuad SQ-Zeta GC-MS (Single Quadrupole) Ionization…

Metabolomics of Opiate-Induced Changes in Murine Brain by GC/Q-TOF Application Note Metabolomics Authors Abstract Manhong Wu, Ming Zheng, A study was performed to elucidate opiate-induced metabolic changes in murine David Clark, and Gary Peltz brain. The EI MS, EI MS/MS,…