Toward automated peak resolution in complete GC × GC-TOFMS chromatograms by PARAFAC

Improvement of ylang-ylang essential oil characterization by GC×GC-TOFMS.

A single fraction of essential oil can often contain hundreds of compounds. Despite of the technical improvements and the enhanced selectivity currently offered by the state-of-the-art gas chromatography (GC) and mass spectrometry (MS) instruments, the complexity of essential oils is frequently underestimated. Comprehensive two-dimensional GC coupled to time-of-flight MS (GC×GC-TOFMS) was used ...

Identification of ester metabolites from petroleum hydrocarbon biodegradation in groundwater using GC×GC-TOFMS.

In an effort to understand the nature and toxicity of petroleum hydrocarbon degradation metabolites, 2-dimensional gas chromatography linked to a time-of-flight mass spectrometer (GC×GC-TOFMS) was used to conduct nontargeted analysis of the extracts of 61 groundwater samples collected from 10 fuel release sites. An unexpected result was the tentative identification of 197 unique esters. Althoug...

Determination of Pesticide Residues in Honey using the GC×GC-TOFMS Technique

In this study, a QuEChERS method and gas chromatography coupled with time-of-flight mass spectrometry (GC×GCTOFMS) was developed for rapid extraction and simultaneous determination of 12 pesticide residues in honey. The GC×GC-TOFMS method was validated according to the SANCO guidance in terms of linearity, selectivity, reproducibility and recovery. Regarding the results, recovery rates ranged b...

Refinement of the Significance Level Used in Determining a Fisher Ratio Threshold for Peak Table Generation of Complex Gc×gc-tofms Data

Disease-Related Changes in the Cerebrospinal Fluid Metabolome in Amyotrophic Lateral Sclerosis Detected by GC/TOFMS

BACKGROUND/AIM The changes in the cerebrospinal fluid (CSF) metabolome associated with the fatal neurodegenerative disease amyotrophic lateral sclerosis (ALS) are poorly understood and earlier smaller studies have shown conflicting results. The metabolomic methodology is suitable for screening large cohorts of samples. Global metabolomics can be used for detecting changes of metabolite concentr...