Infant formula (IF), rich in essential nutrients such as polyunsaturated fatty acids crucial for infant growth, is susceptible to quality deterioration due to fatty acid oxidation. This study aimed to analyze nutritional changes and off-flavors in commercially available one-stage IFs. Specifically, the study assessed the content of protein, lipid, and lactose. Headspace solid-phase microextraction-gas chromatography/mass spectrometry (HS-SPME-GC/MS) was then used to analyze volatile compounds. Using Principal Component Analysis (PCA) and Partial Least Squares Discriminant Analysis (PLS-DA), the four samples can be distinctly separated. Odor activity values (OAVs) and variable importance in projection (VIP) were calculated to identify key odorant components. Subsequent recombinant/omission experiments confirmed pentanal, (E,E)-2,4-decadienal, hexanal, (E)-2-nonenal, and 1-penten-3-one as key contributors to off-flavors in IF. These findings provide a scientific basis for preventing the formation of undesirable flavors and preserving the nutritional integrity of one-stage IF during commercialization.
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