Peak no. | Rt (min.) | M− | M. Formula | Error (ppm) | MS/MS− | UV (nm) | Identification |
---|---|---|---|---|---|---|---|
1 | 0.66 | 377.0901 | C12H21O ̄ | 3.5 | 341.11, 215 | – | Sugar alcohol |
2 | 8.71 | 179.0351 | C9H7O4 ̄ | 0.5 | 135 | 333 | Caffeic acid |
3 | 8.71 | 353.0871 | C16 H17 O9− | 1.87 | 191, 173, 179, 135 | 327 | 3-O-Caffeoylquinic acid (neochlorogenic acid) |
4 | 9.03 | 707.1814 | C32H36O18 ̄ | 0.127 | 353 | 326 | Dicaffeoylquinic acid dimer |
5 | 9.23 | 353.0856 | C16H17O9̄ | 1.8 | 173, 179, 191 | 327 | 5-O-Caffeoylquinic acid (Chlorogenic acid) |
6 | 9.27 | 431.1522 | C19H27O11 ̄ | 0.283 | 299.11, 131.04 149.05 | 328 | Hexosylpentosyl 2-(p-hydroxyphenyl)ethanol |
7 | 9.54 | 381.0820 | C18H21O9 ̄ | 1.5 | 161, 179, 135 | 328 | Ethyl chlorogenate isomer |
8 | 9.63 | 447.1499 | C18H25O10 ̄ | 2.5 | 401 | 328 | Benzylhexosylpentoside |
9 | 9.72 | 431.1913 | C19H29O8 ̄ | 2.5 | 385, 223, 205, 153 | 332 | Roseoside |
10 | 9.87 | 397.1131 | C18H21O10 ̄ | O.44 | 191,179, 173 | 332 | p-Sinapoylquinic acid |
11 | 9.93 | 367.1027 | C17H19O9 ̄ | 1.14 | 191, 173, 147 | 326 | 5-O-Feruloylquinic acid |
12 | 10.00 | 537.2020 | C26H33O12 ̄ | − 0.56 | 489.12, 375.14, 327.12 | 325 | Hydroxylariciresinol hexoside |
13 | 10.01 | 611.2481 | C26H43O16 ̄ | 0.22 | 431, 251 | 325 | Unknown |
14 | 10.15 | 609.1450 | C27H29O16 ̄ | 0.05 | 463, 447, 301, 300 | 335–369 | Quercetin hexosyl deoxyhexoside Quercetin -3-O-rutinoside (Rutin) |
15 | 10.31 | 447.0925 | C21H19O11 ̄ | 1.369 | 285, 244 | 344 | Luteolin-7-O-glucoside (Cynaroside) |
16 | 10.41 | 515.1184 | C25H23O12̄ | 0.849 | 353, 191, 173 | 329 | 3,4-di-O-Caffeoylquinic acid |
17 | 10.61 | 515.1189 | C25H23O12̄ | 3.061 | 353, 299, 173 | 328 | 4,5-di-O-Caffeoylquinic acid |
18 | 10.92 | 705.3327 | C26H41O9 ̄ | 2.63 | 659, 497 | 308–328 | Unknown |
19 | 11.00 | 677.1502 | C34H29O15 ̄ | − 0.91 | 515, 353, 191 | 329 | 3,4,5-tri-O-Caffeoylquinic acid |
20 | 11.15 | 965.4564 | C44H69O23 ̄ | 0.92 | 803- | nd | Rebaudioside A |
21 | 11.24 | 849.3761 | C39H61O20 ̄ | 0.42 | 641, 803 | nd | Steviol + 2 Hexose + 4-Methylglucuronide |
22 | 11.41 | 787.3744 | C38H59O17 ̄ | 1.65 | 787, 625, 641 | nd | Dulcoside A |
23 | 11.54 | 687.3244 | C33H51O15 ̄ | 0.732 | 641, 623, 479 | nd | Steviol + hexose + 4-methylglucoronid |
24 | 11.55 | 803.3698 | C38H59O18 ̄ | 0.272 | 641, 479, 317 | nd | Stevioside/Rebaudioside B |
25 | 11.58 | 641.3172 | C32H49O13 ̄ | 0.767 | 479, 317 | nd | Steviolbioside/rubusoside |
26 | 11.78 | 359.0766 | C18H15O8 ̄ | 2.18 | 344, 329, 286 | nd | Centaureidin |
27 | 11.89 | 335.2229 | C20H30O3 ̄ | 3.93 | 317 | 289 | Steviol |
28 | 12.15 | 479.2653 | C26H39O8 ̄ | 2.55 | 317.12 | nd | Kaurenoic acid hexoside |
29 | 13.16 | 295.2273 | C18H31O3 ̄ | 2.70 | 277, 195, 171 | nd | Unknown |