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. 2013 Mar 28;18(4):3859–3871. doi: 10.3390/molecules18043859

Table 1.

Identifying characteristics of the phenolic compounds and purine alkaloids of beverages from Ilex paraguariensis.

Peak No. RT min λmax * nm [M+H]+ m/z Fragment ions m/z Identification
1 13.9 272 195 Caffeine
2 16.8 326,296sh 355 193,181 3-O-Caffeoylquinic acid
3 19.8 326,296sh 355 193,181 5-O-Caffeoylquinic acid
4 19.8 272 181 Teobromine
5 20.1 326,296sh 355 193,181 4-O-Caffeoylquinic acid
6 24.2 256,354 611 Quercetin-3-rhamnosylglucoside
7 25.0 256,344 465 303 Quercetin-3-O-glucoside
8 25.6 266,342 449 Kaempferol-3-O-glucoside
9 27.4 326,296sh 517 355,193 3,5-Dicaffeoylquinic acid
10 27.8 326,296sh 517 355,193 4,5-Dicaffeoylquinic acid
11 28.5 326,296sh 679 517,181,163 Tricaffeoylquinic acid

* The wavelengths of maximum absorption are in bold; sh, shoulder.