ProfileAnalyzer is an integrated data processing tool within AnalyzerPro which automates chromatographic matching for the analysis and identification of complex mixtures. It can be used in areas from clinical applications such as identifying inherited metabolomic disorders like urinary organic acidurias including phenylketonuria (PKU) to flavour and fragrance analysis where it can be used for product authentication or to detect counterfeit or adulterated products. ProfileAnalyzer turns found components over a chromatographic range into a spectragram which can be compared objectively against a library of spectragrams to provide an accurate assessment of one sample’s similarity to another.
A spectragram is created by taking the deconvolved components or components based on a targeted library and turning them into a spectrum-like display where the x-axis is either retention time, retention index or in the case of a targeted approach the name of the target component. The y-axis represents either the area or the height of the component. The unknown spectragram is compared against the best match or a specifically selected spectragram. A single spectragram is identical to the typical AnalyzerPro chromatographic display. For example:
Figure 1. Typical spectragram
After processing, ProfileAnalyzer graphically shows the comparison of the unknown sample against the entries in the spectragram library which it was searched against. A subsection of a fire debris analysis is shown using a targeted approach.
Figure 2. Spectragram comparison
In this instance, the top match shows a 73% confidence that our unknown sample matches the profile / spectragram of Gas 90. This is consistent with findings from an expert assessment of the sample. Below are the top ten results of the unknown compared against the fire debris spectragram library.
Table 1. Results from Unknown1.swx
|Spectragram Library||Confidence %|
|1||Gasoline, 90% evaporated||73.02|
|2||Gasoline, 95% evaporated||66.14|
|3||Gasoline, 80% evaporated||65.79|
|4||Premium gasoline, 90% evaporated||61.49|
|5||Premium gasoline, 50% evaporated||60.79|
|6||Premium gasoline, 75% evaporated||59.18|
|7||Aromatic - Floquil Dio-Sol Thinner||58.93|
|8||Mixture: Gasoline, 90% evaporated and kerosene||56.10|
|9||Aromatic - STA-BIL Fuel Stabilizer||54.83|
|10||Mixture: Gasoline and diesel fuel||51.14|