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Two Dimensional Correlation Analysis of Fourier Transform Ion Cyclotron Resonance Mass Spectra of Dissolved Organic Matter: A New Graphical Analysis of Trends
journal contribution
posted on 2013-04-16, 00:00 authored by Hussain
A.N. Abdulla, Rachel L. Sleighter, Patrick G. HatcherTwo-dimensional
(2D) correlation analysis was applied to 20 Fourier
transform ion cyclotron resonance mass spectra (FTICR-MS) of ultrafiltered
dissolved organic matter samples from a salinity transect of the lower
Chesapeake Bay. We were able to investigate the chemical changes in
the dissolved organic matter pool at the molecular level and classify
the individual peaks based on their biogeochemical reactivity. The
power of this technique is its ability to be used on either the presence/absence
of the individual peaks or their normalized magnitudes. The presence
or absence of the peaks are utilized to identify the reactivity and
correlation between peaks that plot in different regions of the van
Krevelen diagram, whereas the normalized magnitudes are used to correlate
the changes among individual peaks. One of the promising advantages
of 2D correlation of FTICR-MS data is the ability to associate the
variations of the individual peaks with the changes in the functional
groups that are measured by other spectroscopic techniques. This approach
takes us one step further from identifying molecular formulas to proposing
chemical structures.
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Fourier Transform Ion Cyclotron Resonance Mass Spectrachemical structuresvan Krevelen diagramNew Graphical Analysiscorrelation analysision cyclotron resonance mass spectrabiogeochemical reactivitymatter pool2 D correlationspectroscopic techniquesDissolved Organic Mattersalinity transect20 Fouriermatter samplesChesapeake BayDimensional Correlation Analysischemical changes
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