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No. | Retention time (min) | Molecular formula | Molar mass (Da) | Precursor ion [M-H]−m/z | Main productions MS2m/z | Identification |
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1 | 2.0 | C7H12O6 | 192.2 | 191 | 171 [M-H-H-H-H2O]−,127, [M-H-H2O-HCOOH]−, 85 [M-C3H7O4]− | Quinic acid |
2 | 2.1 | C9H8O4 | 180.2 | 179 | 135 [M-COOH]−, 107 [M-C3H5O2]−, 71 [M-C6H5O2]−, 59 [M-C7H5O2]− | Caffeic acid |
3 | 3.2; 4.8; 28.0 | C16H18O9 | 354.3 | 353 | 191 [M-3H2O-C6H5O2]−, 179 [M-3H2O-C6H4-COOH]−, 135 [M-3H2O-C6H4-C2HO4]− | Chlorogenic acid |
4 | 3.6 | C7H6O5 | 170.1 | 169 | 151 [M-H-H2O]−, 125 [M-H-CO2]−, 107 [M-H-CO2-H2O]−, 83 [M-C3H3O3]− | Gallic acid |
5 | 4.1; 29.6 | C16H18O8 | 339.0 | 337 | 191 [M-C9H7O2]−, 173 [M-H-C9H7O3]−, 163 [M-3 H2O-C7H5O2]−, 119 [M-C8H11O7] | Coumaroylquinic acid |
6 | 6.2; 12.8 | C21H20O11 | 448.3 | 447 | 284 [M-H2O-C6H10O4]−, 255 [M-C6H9O7]−, 179 [M-C15H9O5]− | Kaempferol-3-O-glucoside |
7 | 6.9 | C27H30O15 | 594.5 | 593 | 383 [M-C8H19O6]−, 352 [M-C9H21O7]−, 284 [M-C12H22O9]− | Kaempferol-3-O-rutinoside |
8 | 9.5; 10.4 | C16H18O9 | 432.1 | 431 | 340 [M-H-C3H7O3]−, 311 [M-C4H9O4]−, 179 [M-C15H9O4]− | Apigenin-glucoside |
9 | 11.1 | C27H30O16 | 610.5 | 609 | 300 [M-H-C12H21O9]−, 270 [M-H-C12H21O9-CHO]− | Rutin |
10 | 11.6 | C23H22O13 | 506.4 | 505 | 300 [M-H2O-C6H8O4-COCH3]−, 271 [M-H2O-C6H9O4-COCH3-CHO]−, 255 [M-C6H15O8], 179 [M-C15H7O6-COCH3]− | Quercetin-acetyl-glucoside |
11 | 11.6 | C24H22O15 | 550.4 | 549 | 505 [M-CH2O]−, 300 [M-C9H14O8]−, 463 [M-C3H3O3]− | Quercetin-malonylhexoside |
12 | 12.8 | C21H20O12 | 464.1 | 463 | 300 [M-H2O-C6H10O4]−, 271 [M-H2O-C6H10O4-CHO]−, 179 [M-C15H9O6]− | Isoquercetin |
13 | 13.4 | C23H22O12 | 490.4 | 489 | 284 [M-H2O-C6H9O4-COCH3]−, 254 [M-H2O-C6H10O4-COCH3-CHO]−, 178 [M-H-C15H8O5-COCH3]− | Kaempferol-acetyl-glucoside |
14 | 15.5 | C15H10O7 | 302.2 | 301 | 272 [M-CHO]−, 255 [M-H-CO-H2O]−, 151 [M-C8H7O3]−, 121 [M-C8H5O5]−, 107 [M-C9H5O5]− | Quercetin |
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