| 1 | 0.50 | 175.12([M+H]+) | 173.10([M-H]–) | C6H14N4O2 (174) | Arginine |
| 2 | 0.82 | 335.10([M+Na]+) | 311.10([M-H]–), 203.02 | C11H20O10 (312) | Disaccharide |
| 3 | 0.83 | 177.07([M+H]+) | 175.06([M-H]–), 155.04 | C7H12O5 (176) | Isopropylmalic acid isomer |
| 4 | 0.83 | ND | 133.01([M-H]–), 115.00 | C4H6O5 (134) | Malic acid |
| 5 | 1.10 | ND | 191.02([M-H]–), 111.01 | C6H8O7 (192) | Citric acid |
| 6 | 1.82 | 157.05([M+Na]+) | 133.05([M-H]–), 89.02 | C5H10O4 (134) | Deoxyribose |
| 7 | 2.32 | 141.02([M+Na]+) | 117.02([M-H]–), 99.01 | C4H6O4 (118) | Succinic acid |
| 8 | 2.50 | 171.03([M+Na]+) | 147.03([M-H]–), 129.02 | C5H8O5 (148) | Citramalic acid |
| 9 | 3.01 | 149.02([M+Na]+) | 125.02([M-H]–) | C6H6O3 (126) | Pyrogallol |
| 10 | 3.41 | 185.04([M+Na]+) | 161.05([M-H]–), 143.03 | C6H10O5 (162) | Meglutol |
| 11 | 3.76 | 171.03([M+H]+) | 169.01([M-H]–), 125.02 | C7H6O5 (170) | Gallic acid |
| 12 | 4.45 | 169.05([M+Na]+) | 145.05([M-H]–), 101.06 | C6H10O4 (146) | Adipic acid |
| 13 | 4.57 | ND | 131.03([M-H]–), 113.03 | C5H8O4 (132) | Glutaric acid |
| 14 | 4.72 | ND | 147.07([M-H]–), 121.03 | C6H12O4 (148) | Mevalonic acid |
| 15 | 5.46 | ND | 167.03([M-H]), 108.02 | C8H8O4 (168) | Dihydroxyphenylacetic acid |
| 16 | 5.67 | 155.03([M+H]+) | 153.02([M-H]–), 109.03 | C7H6O4 (154) | Protocatechuic acid |
| 17 | 5.82 | 220.12([M+H]+) | 218.10([M-H]–), 146.08 | C9H17NO5 (219) | Pantothenic acid |
| 18 | 5.96 | ND | 117.06([M-H]–), 71.05 | C5H10O3 (118) | Hydroxyisovaleric acid |
| 19 | 6.24 | ND | 109.03([M-H]–), 108.02 | C6H6O2 (110) | Catechol |
| 20 | 6.68 | 205.05([M+Na]+) | 181.05([M-H]–), 163.04 | C9H10O4 (182) | Hydroxyphenyllactate isomer |
| 21 | 7.13 | 155.03([M+H]+) | 153.02([M-H]–), 109.03 | C7H6O4 (154) | 2,5-Dihydroxybenzoic acid |
| 22 | 7.29 | 121.07([M+H]+) | 119.05([M-H]–), 91.05 | C8H8O (120) | Phenylacetaldehyde |
| 23 | 7.33 | 199.06([M+Na]+) | 175.06([M-H]–), 115.04 | C7H12O5 (176) | Isopropylmalic acid isomer |
| 24 | 7.66 | 254.10([M+H]+) | 252.09([M-H]–), 161.08 | C12H15NO5 (253) | Unknown |
| 25 | 7.80 | 183.06([M+H]+) | 181.05([M-H]–), 151.04 | C9H10O4 (182) | Hydroxyphenyllactate isomer |
| 26 | 7.99 | 153.05([M+H]+) | 151.04([M-H]–), 135.04 | C8H8O3 (152) | Unknown |
| 27 | 8.07 | 159.09[M+H]+) | 157.01([M-H]–) | C8H12O6 (204) | Unknown |
| 28 | 8.23 | 181.05([M+H]+) | 179.03([M-H]–), 135.04 | C9H8O4 (180) | Caffeic acid |
| 29 | 8.53 | 133.08([M+H]+) | 131.07([M-H]–), 113.06 | C6H12O3 (132) | Leucic acid isomer |
| 30 | 8.63 | 133.08([M+H]+) | 131.07([M-H]–), 113.06 | C6H12O3 (132) | Leucic acid isomer |
| 31 | 8.78 | 133.08([M+H]+) | 131.07([M-H]–), 113.06 | C6H12O3 (132) | Leucic acid isomer |
| 32 | 8.97 | 243.13([M+H]+) | 241.12([M-H]–), 168.00 | C11H18N2O4 (242) | 3'-Hydroxypentobarbital |
| 33 | 9.05 | 289.08([M+H]+) | 287.07([M-H]–) | C14H12N2O5 (288) | Unknown |
| 34 | 9.34 | 204.12([M+H]+) | 202.11([M-H]–) | C9H17NO4 (203) | Unknown |
| 35 | 9.45 | 174.11([M+H]+) | 172.10([M-H]–), 130.09 | C8H15NO3 (173) | Acetylisoleucine |
| 36 | 9.67 | 399.13([M+H]+) | 397.11([M-H]–), 223.06 | C18H22O10 (398) | Sinapoylquinic acid |
| 37 | 9.76 | 165.05([M+H]+) | 163.04([M-H]–), 119.05 | C9H8O3 (164) | Coumaric acid |
| 38 | 9.83 | 199.06([M+H]+) | 197.05([M-H]–), 124.02 | C9H10O5 (198) | Ethyl gallate |
| 39 | 9.93 | 189.05([M+Na]+) | 165.06([M-H]–), 147.05 | C9H10O3 (166) | Phenyllactic acid |
| 40 | 10.16 | 197.08([M+Na]+) | 173.08([M-H]–), 111.08 | C8H14O4 (174) | Fatty acid ester |
| 41 | 10.36 | 208.10([M+H]+) | 206.08([M-H]–), 164.07 | C11H13NO3 (207) | Acetyl phenylalanine |
| 42 | 10.70 | 269.09([M+Na]+) | 245.09([M-H]–) | C13H14N2O3 (246) | Acetyl tryptophan |
| 43 | 10.77 | 206.08([M+H]+) | 204.07([M-H]–) | C11H11NO3 (205) | Indolelactic acid |
| 44 | 10.90 | 238.11([M+H]+) | 236.09([M-H]–) | C12H15NO4 (237) | Lactoyl phenylalanine |
| 45 | 11.11 | 413.12([M+Na]+) | 389.12([M-H]–), 341.10 | C20H22O8 (390) | Piceid |
| 46 | 11.82 | 139.04([M+H]+) | 137.02([M-H]–), 93.03 | C7H6O3 (138) | 4-Hydroxybenzoic acid |
| 47 | 12.45 | 443.13([M+Na]+) | 419.13([M-H]–) | C21H24O9 (420) | Unknown |
| 48 | 13.24 | 223.10([M+Na]+) | 199.10([M-H]–), 155.11 | C10H16O4 (200) | Camphoric acid |
| 49 | 14.28 | 225.11([M+Na]+) | 201.11([M-H]–), 183.10 | C10H18O4 (202) | Sebacic acid |
| 50 | 14.45 | 303.05([M+H]+) | 301.03([M-H]–), 178.99 | C15H10O7 (302) | Quercetin |
| 51 | 14.57 | 433.11([M+H]+) | 431.10([M-H]–), 285.04 | C21H20O10 (432) | Kaempferol-7-O-rhamnoside |
| 52 | 15.07 | 584.28([M+H]+) | 582.26([M-H]–), 462.20 | C34H37N3O6 (583) | Tricoumaroyl spermidine |
| 53 | 15.33 | 584.28([M+H]+) | 582.26([M-H]–), 462.20 | C34H37N3O6 (583) | Tricoumaroyl spermidine |
| 54 | 16.05 | 607.22([M+Na]+) | 583.22([M-H]–) | C31H36O11 (584) | Lignans |
| 55 | 16.30 | 287.06([M+H]+) | 285.04([M-H]–), 255.03 | C15H10O6 (286) | Kaempferol |
| 56 | 16.73 | 317.07([M+H]+) | 315.05([M-H]–), 300.03 | C16H12O7 (316) | Isorhamnetin |
| 57 | 17.00 | 369.22([M+Na]+) | 345.23([M-H]–) | C18H34O6 (346) | Fatty acids |
| 58 | 17.08 | ND | 227.13([M-H]–) | C12H20O4 (228) | Fatty acids |
| 59 | 17.37 | 287.06([M+H]+) | 331.25([M-H]–), 313.24 | C18H36O5 (332) | Fatty acids |