| | Peak | λmax (nm) | Molecular ion | MS2 (m/z) | MS3 (m/z) | Tentative identification |
| | 1 | | 191 [M-H | : 173 (74.9), 127 (100), 111 (47.0), 109 (42.9), 85 (70.2) | 163 (30.8), 125 (14.6), 109 (69.7), 99 (100) | Quinic acid | | 2 | 226, 294, 318 | 377 , 683 [2M-H, 719 [2M + Cl, 707 [2M + Na]+ | : 215, 179, 113, 101 | | Caffeic acid hexoside | | 3 | 230, 266 | 533 [M-H | : 191 (100) | | Quinic acid derivative | | 4 | 322 | 309 [M-H | : 193 (100), 291 (45.3), 133 (10.3) | | Feruloyl-L-malic acid | | 5 | 336, 276 | 293 [M-H | | | Apigenin | | 6 | | 133 [M-H | : 115 (100) | | Malic acid | | 7 | 365 | 383 [M-H | | | Rosmarinic acid | | 8 | 241, 300, 324 | 353 [M-H | : 191 (100) | : 173 (22.7), 171 (21.9), 127 (100), 111 (52.4), 109 (28.1), 85 (47.8) | 3-O-Caffeoylquinic acid | | 9 | 242, 300, 325 | 353 [M-H | : 173 (55.2), 127 (100), 109 (65.8), 85 (97.0) | | 5-O-Caffeoylquinic acid-hexoside | | 10 | 324 | 353 [M-H | : 191 (100) | | Chlorogenic acid | | 11 | | 325 [M-H | : 265 (12.2), 187 (43.1), 163 (100), 145 (95.9), 119 (19.2) | | p-Coumaric acid-O-hexoside | | 12 | 355 | 301 [M-H | : 273.0399 (13), 229.0504 (3), 178.9983 (48), 151.0029 (100), 121.0292 (15) | | Quercetin II | | 13 | 326 | 397 [M-H | : 134 (25.3), 175 (21.9), 193 (100), 217 (44.4), 337 (32.6) | | Ferulic acid derivative | | 14 | 304 | | : 191 (100) | : 179 (100), 127 (44.8), 111 (47.2), 93 (85.3), 85 (85.7), 81 (26.4) | Cis-5-O-p-coumaroylquinic acid | | 15 | | | : 311 (25.7), 293 (21), 229 (100), 211 (81.4), 171 (40) | | Trihydroxyoctadecenoic acid | | 16 | | 297 [M-H | | | Galacturonic acid 1-phosphate | | 17 | 328, 298 | 311 [M-H | : 133.0 (100), 115.0 (37) | | Caftaric acid | | 18 | | 327 [M-H | : 291 (56.0), 229 (100), 211 (51.9), 209 (10.8), 171 (62.1), 165 (15.2) | | Oxo-dihydroxy-octadecenoic acid | | 19 | 240 | 441 [M-H | 289, 245, 169, 125 | | (−)-Epicatechin-3-gallate | | 20 | 223 | 934 [M-H | : 915 (53.9), 897 (77.7), 783 (46.9), 633 (71.1), 301 (100) | | Galloyl-bis-HHDP-O-hexoside | | 21 | | 455 [M-H | : 306 (100), 288 (34.8), 272 (11.6), 160 (16.4) | [306 → 254]: 210 (40.6), 179 (100), 161 (43.7), 135 | Caffeic acid derivative | | 22 | 324 | 193 [M-H | : 178 (17.8), 149 (100) | | Ferulic acid | | 23 | | 485 [M-H | | | Kaempferol-3-glucuronide | | 24 | | 425 [M-H | : 327 (100), 209 (21.9) | | Glucaric acid derivative | | 25 | 245 | 175 [M-H | : 115 (100) | | L-Ascorbic acid | | 26 | | 207 [M-H | | | Phosphocholine | | 27 | 327, 300, 268 | 295 [M-H | : 277 (10.0), 179 (76.5), 133 (100), 115 (21.9) | | Caffeoylmalic acid | | 28 | 334, 365 | 209 [M-H | : 191 (100), 85 (25.9) | | Glucaric acid |
|
|
