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Unknown compounds analysis by HRMS, soft ionization and AI for GCxGC (Masaaki Ubukata, MDCW 2025)
Presentation | Video

Unknown compounds analysis by HRMS, soft ionization and AI for GCxGC (Masaaki Ubukata, MDCW 2025)

We developed an AI-based EI mass spectral database with 120 million predicted spectra to improve unknown compound identification in GC×GC-MS beyond commercial library limits.
We, 14.5.2025
The Multidimensional Chromatography (MDC) Workshop
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MOSH&MOAH in food ingredients and additives - LC/GC×GC(-FID/TOFMS) (Aleksandra Gorska, MDCW 2025)
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MOSH&MOAH in food ingredients and additives - LC/GC×GC(-FID/TOFMS) (Aleksandra Gorska, MDCW 2025)

LC-GC×GC-FID/TOFMS enhances MOSH/MOAH analysis in food ingredients and additives, helping to resolve coelutions and reduce interpretation errors beyond current ISO 20122:2024 limitations.
We, 7.5.2025
The Multidimensional Chromatography (MDC) Workshop
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The Century Mix as QC for untargeted metabolomics using GCxGC (Anaïs Rodrigues, MDCW 2025)
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The Century Mix as QC for untargeted metabolomics using GCxGC (Anaïs Rodrigues, MDCW 2025)

Using the FDA's Century Mix, we developed a robust QA/QC system for untargeted GC×GC-TOFMS metabolomics, tracking 100 compounds to improve standardization, reproducibility, and long-term performance.
We, 7.5.2025
The Multidimensional Chromatography (MDC) Workshop
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UFP classification, characterization, quantification by DTD-GC×GC-TOFMS (Nadine Gawlitta, MDCW 2025)
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UFP classification, characterization, quantification by DTD-GC×GC-TOFMS (Nadine Gawlitta, MDCW 2025)

Ultrafine particles (UFP) <100 nm pose health risks due to deep lung penetration. This study uses DTD-GC×GC-TOFMS to reveal PAH profiles in ambient air UFP sampled in Augsburg, Germany, in 2023.
We, 30.4.2025
The Multidimensional Chromatography (MDC) Workshop
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Pyrolysis and GC×GC-MS. A hot topic! (Robert Cody, MDCW 2025)
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Pyrolysis and GC×GC-MS. A hot topic! (Robert Cody, MDCW 2025)

TD/PY-GC×GC-MS enables detailed analysis of complex pyrolysis products. Soft ionization reveals high-mass compounds undetectable by GC-MS or GC×GC-MS.
We, 23.4.2025
The Multidimensional Chromatography (MDC) Workshop
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Comparative analysis of GCxGC-TOF data in time and frequency (Michael Sorochan Armstrong, MDCW 2025)
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Comparative analysis of GCxGC-TOF data in time and frequency (Michael Sorochan Armstrong, MDCW 2025)

This talk presents parallel analyses of multidimensional chromatographic data in time and frequency domains using open source tools.
We, 16.4.2025
The Multidimensional Chromatography (MDC) Workshop
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GC×GC-TOFMS metabolomics and exposomics for cannabis exposures (Ryland T. Giebelhaus, MDCW 2025)
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GC×GC-TOFMS metabolomics and exposomics for cannabis exposures (Ryland T. Giebelhaus, MDCW 2025)

Using GC×GC-TOFMS, we assess cannabis exposure in mothers and infants via urine, milk, and passive samplers, identifying metabolites and informing prenatal care.
We, 9.4.2025
The Multidimensional Chromatography (MDC) Workshop
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Application of pearson correlation coefficient to HT-GC×GC-HRMS (Michelle Corbally, MDCW 2025)
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Application of pearson correlation coefficient to HT-GC×GC-HRMS (Michelle Corbally, MDCW 2025)

Using HT-GC×GC-HRMS and Pearson correlation, 18 VGOs were ranked by properties, and key chemical differences were visualized across complex chromatograms.
We, 2.4.2025
The Multidimensional Chromatography (MDC) Workshop
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Dual detection raw data fusion: fingerprinting over large time frames (Andrea Caratti, MDCW 2025)
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Dual detection raw data fusion: fingerprinting over large time frames (Andrea Caratti, MDCW 2025)

A GC×GC-FID/MS fusion workflow boosts template matching, enhancing allergen detection and quantification in food volatilomics and fragrance profiling.
We, 26.3.2025
The Multidimensional Chromatography (MDC) Workshop
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Chromatographic differences for GC and GCxGC output (Katelynn Perrault Uptmor, MDCW 2025)
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Chromatographic differences for GC and GCxGC output (Katelynn Perrault Uptmor, MDCW 2025)

This study explored individuals’ ability to distinguish images, including GC and GC×GC plots, to determine if GC×GC helps or hinders forensic interpretation, finding no clear advantage or drawback.
We, 19.3.2025
The Multidimensional Chromatography (MDC) Workshop
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LabRulez s.r.o. All rights reserved. Content available under a CC BY-SA 4.0 Attribution-ShareAlike