Quality changes of pasteurised mango juice during storage. Part I: Selecting shelf-life markers by integration of a targeted and untargeted multivariate approach

• Multivariate data analysis allowed selection of quality parameters clearly changing over shelf-life.
• Colour values were clearly changing during storage for all mango juice formulation.
• Several mango juice volatile compounds were selected as shelf-life markers.
• More pronounced terpene oxide formation was detected in acidified mango juice samples.
• Changes in ascorbic acid and furfural were observed in ascorbic acid-enriched samples.

For the first time, a multivariate approach combining targeted and untargeted data was used to obtain insight into quality changes in pasteurised mango juice (cv. ‘Totapuri’) as a function of storage (42 °C for 8 weeks). Mango juice samples were formulated with addition of different potential precursors for different quality-related chemical reactions: ascorbic acid, citric acid and sugars. Control (diluted mango puree with water), ascorbic acid-enriched (AA250 and AA500), citric acid-enriched (CA, CA + AA250 and CA + AA500) and sugar-enriched (S) samples were characterised for a range of targeted quality parameters as well as for a volatile fingerprint (untargeted). Selection of shelf-life markers or quality parameters significantly changing during shelf-life was performed over all formulations as well as per mango juice formulation. Our study showed that a common trend over all formulations was observed for colour values (VID > │0.90│), while specific shelf-life markers were selected for each formulation. In acidified mango juice samples (CA, CA + AA250, CA + AA500), more terpene oxides were selected compared to other formulations. In ascorbic acid-enriched samples (AA250, AA500, CA + AA250, CA + AA500), furfural and ascorbic acid were significantly changing during shelf-life. It seems that the reaction pathways for compounds being formed or degraded upon shelf-life are clearly affected by the acidity level.