Table 3 Chemical metabolites of M. caffra characterized by UPLC-Q-extractive-MS/MS at positive mode.
Identified compound | Rt (min) | Mass (m/z) [M + H]+ | Calculated mass | MS/MS fragment ions (m/z) | Molecular formula | Error (ppm) | References | |
|---|---|---|---|---|---|---|---|---|
Phenolic acids | ||||||||
48 | Gallic acid | 2.837 | 171.0287 | 170.0214 | 141,151,160 | C7H6O5 | 0.53 | |
49 | Quinic acid | 1.023 | 193.0707 | 192.0634 | 174 | C7H12O6 | 0.03 | |
50 | 4-(2-Hydroxypropoxy)-3,5-dimethyl-Phenol | 10.809 | 197.1172 | 196.1099 | – | C11H16O3 | 0.3 | |
51 | 4-p-Coumaroylquinic acid | 8.889 | 339.1072 | 338.1 | – | C16H18O8 | 0.6 | |
Flavonoids | ||||||||
52 | 5,7,20,30—Tetrahydroxyflavone | 11.127 | 287.055 | 286.0477 | 265,275 | C15H10O6 | 0.18 | |
53 | 3,5,7,20,50—Pentahydroxyflavone | 10.696 | 303.05 | 302.0428 | 273,289 | C15H10O7 | − 0.43 | |
54 | Ent-Fisetinidol-4beta-ol | 8.991 | 291.0863 | 290.079 | 262 | C15H14O6 | 0.21 | |
Alkaloids | ||||||||
55 | Gentiatibetine | 4.45 | 166.0861 | 165.0789 | 143,151 | C9H11NO2 | 0.74 | |
Amino acid | ||||||||
56 | l-Tryptophan | 8.313 | 205.0971 | 204.0899 | 188.0708, 146.0603, 118.0654 | C11H12N2O2 | 0.03 | |
Sphingolipids | ||||||||
57 | Dehydrophytosphingosine | 14.313 | 316.2843 | 315.277 | 298,286, 281, 280, 262, 256, 141 | C18H37NO3 | 0.96 | |
58 | Octadecasphinganine | 14.723 | 302.305 | 301.2977 | 285,284, 217 | C18H39NO2 | 1.41 | |
59 | Phytosphingosine | 14.761 | 318.3 | 317.2923 | 300, 282, 264 | C18H39NO3 | 2.08 | |
Miscellaneous | ||||||||
60 | Pyroglutamic acid | 1.58 | 130.0497 | 129.0421 | – | C5H7NO3 | 3.88 | |
61 | Valine | 1.355 | 118.0862 | 117.0789 | 104 | C5H11NO2 | 0.68 | |
62 | 2-Amino-3-methyl-1-butanol | 0.951 | 104.1072 | 103.1 | – | C5H13NO | − 2.46 | |
