Profiling a spectrum (i.e "targeted profiling") can be a subtle and potentially complex task. You can choose the compounds that you profile in a particular spectrum to suit a variety of timeframes, research goals, or other requirements. However, one of the most important aspects of your approach to profiling a spectrum should be maintaining a consistent profiling strategy, as this gives you more consistent and more easily-interpreted results.
For more details on specific profiling techniques and how to apply them to your spectra, please see “Tutorial and Sample Files”.
To profile a spectrum using targeted profiling
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Process the spectrum (see “Processing a Spectrum”).
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(Optional) Create a compound set containing the compounds that you would like to analyze (see “Compound Set Tools”).
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Open the spectrum in Profiler (see “Opening Files”).
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(Optional) Select a compound set containing compounds appropriate for the sample. If you created a compound set above, select the compound set that you created. Otherwise, a default set containing compounds from the Chenomx Reference Library is selected for you.
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Identify and profile prominent signals in the spectrum (see “Identifying Compounds”).
Some compounds in the spectrum are very easy to pick out, including CSI compounds like DSS or TSP and pH indicators like imidazole, creatinine or DFTMP. Depending on the type of sample that you are analyzing, there may be other compounds that also stand out.
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Systematically review the remaining signals in the spectrum; identify and profile as needed.
You can use information and external links from the Reference Panel (see “Reference Card Panel (Sidebar)”) to help establish the presence of particular compounds in the samples that you are analyzing.