Table 1.
No. | Retention Time (min) |
Molecular Formula | Molar Mass (Da) |
Precursor Ion m/z |
Main Product Ions MS2 m/z |
Identification | EAE | GCE | KTE |
---|---|---|---|---|---|---|---|---|---|
1 | 1.6 | C7H12O6 | 192.2 | 191 [M-H]− | 127 [M-H-H2O-HCOOH]−, 85 [M-C3H7O4]−, 59 [M-C5H9O4]− | Quinic acid | x | x | x |
2 | 2.1 | C7H6O5 | 170.1 | 169 [M-H]− | 151 [M-H-H2O]−, 125 [M-H-CO2]−, 107 [M-H-CO2-H2O]−, 83 [M-C3H3O3]− |
Gallic acid | x | - | - |
3 | 2.8 | C16H18O9 | 354.3 | 353 [M-H]− | 191 [M-3H2O-C6H5O2]−, 179 [M-3H2O-C6H4-COOH]− | 5-Caffeoylquinic acid | x | x | - |
4 | 4.2 | C16H18O9 | 354.3 | 353 [M-H]− | 191 [M-3H2O-C6H5O2]−, 179 [M-3H2O-C6H4-COOH]− | 3-Caffeoylquinic acid | x | x | - |
5 | 5.1 | C9H8O4 | 180.2 | 179 [M-H]− | 135 [M-COOH]−, 107 [M-C3H5O2]−, 71 [M-C6H5O2]−, 59 [M-C7H5O2]− |
Caffeic acid | x | x | x |
6 | 6.8 | C27H30O16 | 610.5 | 609 [M-H]− | 300 [M-H-C12H21O9]−, | Rutin | - | - | x |
7 | 7.5 | C27H30O15 | 594.5 | 593 [M-H]− | 383 [M-C8H19O6]−, 352 [M-C9H21O7]−, 284 [M-C12H22O9]− | Kaempferol-3-O-rutinoside | - | - | x |
8 | 7.5 | C25H24O12 | 516.4 | 515 [M-H]− | 353 [M-C9H7O3]−, 335 [M-C9H9O4]−, 179 [M-C16H17O8]− | 3,4-Dicaffeoylquinic acid | x | - | - |
9 | 8.0 | C15H10O7 | 302.2 | 301 [M-H]− | 272 [M-CHO]−, 255 [M-H-CO-H2O]−, 151 [M-C8H7O3]−, 121 [M-C8H5O5]−, 107 [M-C9H5O5]− |
Quercetin | x | x | x |
10 | 9.9 | C23H22O13 | 506.4 | 505 [M-H]− | 300 [M-H2O-C6H8O4-COCH3]−, 271 [M-H2O-C6H9O4-COCH3-CHO]−, 255 [M-C6H15O8], 179 [M-C15H7O6-COCH3] |
Quercetin-acetyl-glucoside | x | x | x |
11 | 11.3 | C21H20O11 | 448.3 | 447 [M-H]− | 284 [M-H2O-C6H10O4]−, 255 [M-C6H9O7]−, 179 [M-C15H9O5]− |
Kaempferol-3-O-glucoside | x | x | x |