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Liquid Chromatography (LC) in combination with triple quadrupole Mass Spectrometry (MS) is more and more a common analysis technique in routine laboratories. Especially when using MS/MS selected reaction monitoring (SRM) for a large number of components data handling can be a bottle neck. This poster will show MS data processing of pesticides in water samples using an already established chromatography data system which is now also capable of processing large quantities of MS data.

DBPs were identified in finished water, tap water, swimming pool water, and hot tub water that were not present in the source water. High Resolution Deconvolution was used effectively to identify a greater number of peaks in the chromatogram than by nominal resolution MS.

The Pegasus series of mass spectrometers are indispensable tools for metabolomics research:
-Throughput
-Discovery
-Confirmation
GC-HRT analyses resulted in confident metabolite identifications:
-Spectral similarity searches
-Formulae for fragment, molecular, and adduct ions

A number of legacy contaminants and other pesticides were identified in the pooled sample. Cl-H mass defect plots are a useful tool for filtering through complex data for the identification of halogenated contaminants. This technique functions as a screening tool for the identification of unknowns, and in the future, may be used as a form of fingerprinting to compare samples.

The data summarized in this presentation dispels myths associated with the utilization of GC-MS for analytes which are critical for metabolomic studies. GC-HRT provides high quality, accurate mass data for:
-Spectral similarity searches (NIST, Wiley, etc.)
-Formula determination (fragment, molecular & adduct ions)
-GC-HRT is an indispensible tool for the analysis of complex biological samples.

Automated identification of lipids using CRF ions and high energy MS/MS fragment ions and novel software.

Automated identification of lipids using CRF ions and high energy MS/MS fragment ions and novel software.

High Resolution GC-TOFMS and GC×GC-TOFMS are useful for a non-target comprehensive characterization of petroleum through a petroleomic approach, and can also provide targeted analysis of chemical markers.

High Resolution GC-TOFMS analysis with high resolution and high mass accuracy is crucial for identification of crude oil and asphaltene pyrolysis products by unequivocal chemical formula assignment, with enhancement of sensitivity and selectivity.

Thermal desorption coupled to GC×GC-TOFMS and GC-HRT were effective tools for enhancing the number of compounds identifiable in suspended sediment without wet chemistry. GC×GC-TOFMS provides high chromatographic resolution for unknown identification with 2D deconvolution and mass spectral library database searching. GC-HRT provides high mass resolution and selectivity for unknown identification with High Resolution Deconvolution™.

Proper sample preparation is critical for the analysis of complex samples. GC-HRT provides high quality, accurate mass data for:
-Spectral similarity searches (NIST, Wiley, etc.)
-Formula determination (fragment, molecular, and adduct ions)