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. 2022 Nov 17;16:100515. doi: 10.1016/j.fochx.2022.100515

Table 3.

Identification of MGO-polyphenol adducts by UPLC-qTOF-MS.

RT (min) Molecular formula Polarity Theoretical mass Observed mass Error (ppm) MS/MS fragments Rooibos + MGO
Orientin-MGO adduct-1 13.82 C24H24O13 Positive 521.1295 521.1292 −0.57 503, 485, 467, 449, 437, 407, 383,355, 337, 325 +
Orientin-MGO adduct-2 15.99 C24H24O13 Positive 521.1295 521.1293 −0.38 503, 485, 467, 449, 437, 407, 383,355, 337, 325 +
Isoorientin-MGO adduct-1 14.00 C24H24O13 Positive 521.1295 521.1292 −0.57 503, 485, 467, 449, 437, 407, 383,355, 337, 325 +
Isoorientin-MGO adduct-2 17.09 C24H24O13 Positive 521.1295 521.1293 −0.38 503, 485, 467, 449, 437, 407, 383,355, 337, 325 +
Vitexin-MGO adduct-1 18.92 C24H24O12 Positive 505.1346 505.1342 −0.79 487, 469, 451, 433, 421, 391, 367, 399, 321, 309 tr
Vitexin-MGO adduct-2 20.93 C24H24O12 Positive 505.1346 505.1340 −1.18 487, 469, 451, 433, 421, 391, 367, 399, 321, 309 tr
Isovitexin-MGO adduct-1 20.32 C24H24O12 Positive 505.1346 505.1344 −0.40 487, 469, 451, 433, 421, 391, 367, 399, 321, 309 tr
Isovitexin-MGO adduct-2 24.60 C24H24O12 Positive 505.1346 505.1345 −0.20 487, 469, 451, 433, 421, 391, 367, 399, 321, 309 tr
Aspalathin-MGO adduct 15.83 C24H28O13 Negative 523.1452 523.1452 0.00 505, 451, 433, 403, 385, 361, 331, 263, 235, 221, 209, 167 +

“+”, detected; “tr”, trace amount.