Structural Elucidation of an Unknown Compound in the Fatty Acid Methyl Esters (FAMEs) Extract of Avocado Using APGC-HRMS

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Lauren Mullin, Dana Krueger, and Joe Romano
Waters and Krueger Laboratories
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Application Notes
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Application Notes
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Identification of unknowns in foodstuffs is a major challenge for food companies who need to determine whether an unknown compound may be harmful to consumers. In this application note, we describe a FAMEs analysis of an avocado sample that contained a previously unknown constituent resulting from an unexpected chromatographic peak.

Learn how high resolution mass spectrometry (HRMS) and atmospheric pressure chemical ionization following gas chromatography (APGC), the accurate mass of the molecular ion and generated fragments were used to propose an identification of the unknown compound. Other application benefits include:

  • Generation of accurate mass measurements of low- and high-energy spectra across a wide m/z range aided in identification of known FAMEs and elucidation of the unknown compound.
  • “Soft” ionization using APGC resulted in preservation of the molecular ion followed by fragmentation to provide more comprehensive molecular detail.
  • Integrated elucidation tools in the UNIFI Software's Discovery Toolset facilitated the search of hundreds of online databases, facilitating elemental composition and fragment match.

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