No | Rt (min) | Molecular formula | Parent ion (m/z) | Product ion (m/z) (Relative intensity %) | Compound | Distribution among sample | |||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
LEE | LCP | LEP | LHP | SEE | SCP | SEP | SHP | ||||||
1 | 2.3 | C24H44O22 | 683.2281 [M–H]– | 341 (100) [M-C12H22O11]−; 179 (10) [M-H-C6H10O5]− | Tetramer of hexose | – | – |  +  |  +  |  +  |  +  |  +  |  +  |
2 | 2.6 | C7H12O6 | 191.0565 [M–H]– | 173 (42) [M–H–H2O]– | Quinic acid |  +  |  +  |  +  |  +  | – | – | – | – |
3 | 4.2 | C7H6O5 | 169.0133 [M–H]– | 125 (10) [M–COOH]– | Gallic acida |  +  | – |  +  |  +  |  +  |  +  |  +  |  +  |
4 | 12.3 | C20H22O12 | 453.1051 [M-H]− | 169 (100) [gallate moiety]; 124 (85) | Gallic acid derivative | – | – | – | – |  +  | – |  +  | – |
5 | 14.7 | C9H10O5 | 197.0453 [M–H]– | 169 (34) [M–CH2CH3]; 124 (8) [M–COOCH2CH3]– | Ethyl gallate |  +  | – |  +  |  +  | – |  +  |  +  | – |
6 | 18.1 | C26H34O12 | 537.1985 [M–H]– | 271 (14); 211 (29); 169 (83) [gallate moiety]; 151 (14) [galloyl moiety] | Gallic acid derivative |  +  | – |  +  |  +  | – | – | – | – |
7 | 20.5 | C28H24O16 | 615.1001 [M–H]– | 301 (32) [Y0]–; 300 (100) [Y0–H]–; 271 (15) [Y0–CH2O]–; 255 [Y0–CO-H2O]– (9); 169 (8) [gallate moiety] | Quercetin-O-galloyl-hexoside |  +  | – |  +  |  +  | – | – | – | – |
8 | 22.1 | C21H20O12 | 463.0908 [M–H]– | 301 (11) [Y0]–; 300 (37) [Y0–H]–; 271 (100) [Y0–CH2O]–; 255 [Y0–CO-H2O]–; 151 (7) [1,3A0–H]– | Quercetin-O-hexoside (Isoquercitrin) |  +  | – |  +  |  +  | – | – | – | – |
9 | 23.1 | C20H18O11 | 433.0799 [M–H]– | 300 (10) [Y0–H]–; 271 (100) [Y0–CH2O]–; 255 (28) [Y0–CO-H2O]–; | Quercetin-O-pentoside |  +  | – |  +  |  +  | – | – | – | – |
10 | 24.6 | C21H20O11 | 447.0929 [M–H]– | 301 (4) [Y0]–; 300 (18) [Y0–H]–; 271 (100) [Y0–CH2O]–; 255 (54) [Y0–CO-H2O]–; 151 (8) [1,3A0–H]– | Quercetin-O-deoxyhexoside (quercitrin)a |  +  | – |  +  |  +  |  +  |  +  |  +  |  +  |
11 | 25.8 | C21H18O12 | 461.0731 [M–H]– | 315 (37) [Y0–CH2O]–; 299 (100) [Y0–CO-H2O]–; | Isorhamnetin-O-deoxyhexoside | – | – | – | – |  +  |  +  |  +  |  +  |
12 | 26.2 | C21H18O12 | 461.0741 [M–H]– | 313 (66) [M-H-CH3-pentosyl]; 298 (100) [M-H-2CH3-pentosyl]–; 285 (20); 269 (68) | di-O-methyl-O-pentosyl ellagic acid | – | – | – | – | – |  +  |  +  | – |
13 | 31.0 | C16H10O8 | 329.0316 [M–H]– | 270 (79) [M − H − 2CH3 − CO]−, 242 (100); 215 (40); 187 (32); 171 (15); 159 (11); 143 (5) | di-O-methyl ellagic acid | – | – |  +  | – | – |  +  | – | – |
14 | 31.7 | C30H48O6 | 503.3398 [M–H]– | 485 (90) | Triterpene | – | – | – | – | – |  +  | – | – |
15 | 32.1 | C30H48O5 | 487.3452 [M–H]– | – | Triterpene | – | – |  +  | – | – |  +  | – | – |
16 | 32.4 | C16H8O8 | 327.0155 [M–H]– | 255 (28); 212 (21); 200 (56); 184 (49); 172 (36); 156 (80); 144 (31) | Ellagic acid derivative (O-methyl-methylenedioxy ellagic acid) |  +  |  +  |  +  | – | – |  +  | – | – |
17 | 32.9 | C17H12O8 | 343.0465 [M–H]– | 328 (100) [M − H − CH3]−; 313 (17) [M − H − 2CH3]−; 298 (15) [M − H − 3CH3]−; 270 (94) [M − H − CH3 − CO]− | tri-O-methyl ellagic acid |  +  |  +  |  +  | – |  +  |  +  | – | – |
18 | 35.0 | C30H48O4 | 471.3615 [M–H]– | – | Corosolic acida |  +  |  +  |  +  |  +  |  +  |  +  |  +  |  +  |
19 | 35.6 | C30H48O3 | 455.3656 [M–H]– | – | Betulinic acida |  +  | – |  +  | – | – | – | – | – |
20 | 39.4 | C35H36N4O5 | 593.2780 [M + H]+ | 565 (6); 533 (81); 505 (38); 461 (39); 387 (55) | Pheophorbide Ba |  +  |  +  |  +  | – | – | – | – | – |
21 | 40.6 | C37H40N4O5 | 621.3160 [M + H]+ | 593 (8); 561 (100); 533 (51); 505 (28) | Pheophorbide A ethyl estera |  +  |  +  |  +  | – |  +  |  +  | – | – |