| Peak | RT (min) | MF | UV (nm) | Negative ion mode (m/z) | Positive ion mode (m/z) | Compound | MS [M-H]- | MS/MS | MS [M+H]+ | MS/MS |
| 1 | 1.1 | C6H8O7 | — | 191.0202 | — | 215.0163Na | — | Citric acid | 2 | 3.7 | C9H10O5 | 281 | 197.0461 | 179, 151 | 221.0427Na | — | Syringic acid | 3 | 7.7 | C14H20O7 | — | 299.1146 | — | 323.1106Na | 279, 246, 204, 189 | Unknown | 4 | 15.3 | C13H12O7 | 299, 313 | 279.0529 | 163 | 303.0473Na | — | p-Coumaroyl malate | 5 | 18.7 | C22H22O12 | 270, 347 | 477.1053 | 314, 299, 285, 271, 255, 171 | 479.1189 | 317, 302, 191 | O-Hexosyl O-methyl quercetin | 6 | 18.9 | C21H18O12 | 268, 348 | 461.0737 | 285, 257, 241, 175, 151 | 463.0872 | 287 | O-Glucuronyl kaempferol | 7 | 20.3 | C22H30O8 | — | 421.1870 | 325, 308, 267, 195, 163 | 445.1845Na | 385, 367, 309, 225 | Unknown | 8 | 21.2 | C18H16O8 | 299, 328 | 359.0792 | 197, 179, 161 | 361.0916 | — | Rosmarinic acid | 9 | 23.9 | C16H12O7 | 282, 342 | 315.0521 | 300, 271, 243, 202 | 317.0660 | 302, 274, 168 | O-Methyl quercetin | 10 | 24.4 | C19H32O10 | 286, 334 | 421.2082 | 317 | 445.2057 | 333, 275, 229 | Unknown | 11 | 24.8 | C11H12O4 | 299, 325 | 207.0671 | 179, 161 | 209.0809 | 163 | Di-O-methyl caffeic acid | 12 | 25.7 | C15H10O6 | 268, 342 | 285.0410 | 257, 243, 225, 217, 183, 175 | 287.0557 | 269, 241, 153 | Luteolin | 13 | 27.6 | C24H32O9 | — | 463.1985 | — | 465.2129 | 299, 281, 263, 239, 211, 160, 149 | Cyclobutatusin | 14 | 28.75 | C22H20O12 | 286, 334 | 475.0884 | 299, 284 | 477.1053 | 301, 203, 167 | O-Glucuronyl O-methyl scutellarein | 15 | 29.0 | C15H10O5 | 266, 336 | 269.0450 | 227, 202, 182, 171, 151 | 271.0597 | 243, 229, 201, 187, 169, 153 | Apigenin | 16 | 30.4 | C31H32O11 | 330 | 579.1878 | 519, 475, 420, 395, 376, 323 | 581.2026 | 521, 203, 485, 411 393, 375, 367, 323, 309 | Unknown | 17 | 32.9 | C22H28O8 | 280 | 419.1716 | 359, 331, 315, 272 | 421.1853 | 343, 325, 301, 273, 245, 219 | Diterpenoid (coleon H) | 18 | 35.4 | C22H32O5 | — | 375.2180 | 313, 271, 259, 219 | 377.2313 | 299, 271, 217, 175, 161, 149 | Unknown | 19 | 37.1 | C27H46O9 | — | 513.3078 | 317, 277, 209 | 515.3220 | 335, 261, 243, 187 | Unknown |
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