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 (AA 250 and AA 500 ), citric acid-enriched (CA, CA+AA 250 and CA+AA 500 ) 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+AA 250 , CA+AA 500 ), more terpene oxides were selected compared to other formulations. In ascorbic acid-enriched samples (AA 250 , AA 500 , CA+AA 250 , CA+AA 500 ), 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.