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Key Benefits of Infrared Spectroscopy

IR is Complementary to Mass Spectrometry

Oranges in an OrchardTogether with Mass Spec data, Infrared data gives important structural information that can identify components more quickly and easily than Mass Spec alone. The IR spectrum of an unknown can be compared to the library of known compounds or classified by the functional groups contained within.

In this example, Orange Essential Oil (Citrus Sienensis) was separated and detected by both MS and IR. Although most of the peaks gave unique identifications by either method, the mass of one peak corresponded to three compounds in the MS library.

The three isomers could not be distinguished by mass alone, as their fragments were similar as well. Is Peak #1 γ-Terpinene, α-Pinene, 3-Carene?

MS Chromatogram of peak #1 from orange essential oil

 

IR Chromatogram of peak #1 from orange essential oil

(Illustration Below) - Comparison of the IR Spectrum of Peak #1 to the literature uniquely identified the compound as α-Pinene.

Comparison of Peak 1 to library for alpa-pinene

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