Table 2.
The Purine Alkaloids, Theanine, and Phenolic Acid Derivatives in Tea Samples
| peak no. | tR (min) | [M + H]+/[M – H] (m/z) | PI/NI aglycone, other ions (m/z) | UV λmax (nm) | identification |
|---|---|---|---|---|---|
| 3 Purine Alkaloids and One Amino Acid | |||||
| 1c | 2.90c | 175/173 | –/– | – | theaninea,b |
| 5 | 4.80 | 181/– | –/– | 274 | theobrominea,b |
| 7 | 6.90 | 181/– | –/– | 274 | theophyllinea,b |
| 11B | 10.88 | 195/– | –/– | 268 | caffeinea,b |
| 15 Phenolic Acid Relatives | |||||
| 2Ad | 3.60 | –/331 | –/169 | 276 | galloylglucose |
| 2B | 3.69 | –/343 | –/191, 169 | 276 | 3-galloylquinic acida |
| 3 | 3.90 | –/343 | –/191, 169 | 276 | 5-galloylquinic acida |
| 4A | 4.38 | –/343 | –/191, 169 | nde | 4-galloylquinic acida |
| 4B | 4.48 | –/169 | –/– | 274 | gallic acida,b |
| 8 | 7.63 | –/353 | –/191, 179 | 240, 326 | 3-caffeoylquinic acida,b |
| 10 | 9.53 | –/483 | –/331, 169 | 276 | 1, 6-digalloylglucose |
| 12A | 11.05 | –/337 | –/191, 163 | – | 3-p-coumaroylquinic acida |
| 12B | 11.10 | –/353 | –/191, 179 | 240, 326 | 5-caffeoyloylquinic acida,b |
| 13 | 12.13 | –/183 | –/169 | 276 | gallic acid methyl ester |
| 14A | 12.52 | –/353 | –/191, 179 | 240, 326 | 4-caffeoylquinic acida,b |
| 17B | 15.50 | –/337 | –/191, 163 | 310 | 5-p-coumaroylquinic acid |
| 20 | 17.40 | –/337 | –/191, 163 | 310 | 4-p-coumaroylquinic acida |
| 22B | 19.14 | –/635 | –/483, 169 | 276 | 1,2,6-trigalloylglucose |
| 45B | 33.10 | –/515 | –/353, 191, 179 | 240, 326 | 3,5-dicaffeoylquinic acida |
a
Previously reported in tea.
b
Positively identified by direct comparison with standard.
c
Not shown in Figure 3, since this peak appeared before 3 min. Its retention time is 4.67 min with 0–10% B in 20 min.
d
T3 contained high concentrations of this compound.
e
nd, not determined.