Table 1.
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.