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. 2021 May 31;10(6):1118. doi: 10.3390/plants10061118

Table 2.

Metabolite profiling of C. aethiopica leaf total methanol extract via HPLC-PDA-ESI-MS/MS in the positive and negative ion mode.

Peak No. tR
(min)		 Name UV
λmax (nm)		 [M − H]+
(m/z)		 [M − H]− (m/z) MS2
(m/z)		 Molecular Formula References
1. 2.59 Quinic acid 274 191 173, 127, 85 C7H12O6 [16]
2. 5.09 Phenyl alanine 252, 275 166 164 147, 119 C9H11NO2 [17]
3. 5.75 Protocatechuic acid 254, 286 153 109 C7H6O4 [18]
4. 7.21 Dicaffeoyl quinic acid 269, 310 515 353, 341, 323, 191, 179 C25H24O12 [19]
5. 7.54 Dicaffeoyl quinic acid isomer 282, 310 515 353, 341, 323, 191, 179 C25H24O12 [19]
6. 7.65 Hydroxy-methoxy acetophenone-O-hexoside 283 327 295, 283, 179, 165,147, 119 C15H20O8 [20]
[21]
7. 8.07 Caffeoylquinic acid 289, 322 353 191, 179, 135 C16H18O9 [22]
8. 9.24 Caffeoylquinic acid isomer 288, 315 353 191, 179, 135 C16H18O9 [22]
9. 9.88 Myricetin-O-coumaroyl- hexoside 270, 316 625 479, 478, 463, 317, 271, 179 C30H26O15 [23]
10. 10.34 Iristectorin A/B
(3′,5,7-Trihydroxy-4′,6-dimethoxy-isoflavone-7-O-hexoside)		 265 491 473, 447, 401, 371, 343, 329, 311, 283, 241, 191, 146, C23H24O12 [24]
[25]
11. 11.12 Myricetin-O-coumaroyl-hexoside 263, 311 625 479, 478, 463, 317, 287, 271 C30H26O15 [23]
12. 11.75 Tricin-O-rhamnoside (Trihydroxy-dimethoxy-flavone-O-rhamnoside) 264, 310 477 475 329, 328, 315, 299 C23H24O11 [26]
13. 13.33 Trihydroxy-dimethoxy-flavone-O-rhamnoside 265, 310 477 475 457, 447, 431, 329, 328, 301, 175, 145 C23H24O11 [26]
14. 14.21 Hexahydroxy-isoflavone-C-hexoside (Irigenol-C-hexoside) 264, 322 479 461, 433, 389, 359, 317, 316, 271, 151 C21H20O13 [27]
15. 14.92 Myricetin-3-O-rhamnoside 255, 346 465 463 317, 316, 287, 271, 262, 179, 151 C21H20O12 [23]
16. 15.36 Myricetin 255, 350 319 319, 301, 273, 263, 165, 179, 153, 109 C15H10O8 [28]
17. 15.87 Tetrahydroxy dimethoxy isoflavone-O-hexoside
(Hydroxy-iristectrigenin-O-hexoside)		 234, 270, 311 509 507 489, 476, 475, 463, 345, 329, 301, 273, 191, 175 C23H24O13 [29]
18. 17.19 6-Hydroxyluteolin 7-O-rhamnoside 316 447 301 C21H20O11 [30]
19. 17.46 6-Hydroxy luteolin 234, 315 303 303, 285, 257, 165, 153, 137 C15H10O7 [30]
20. 17.75 Myricetin-p-coumaroyl-rhamnosyl-hexoside 316 773 771 625, 463, 317 C36H36O19 [31]
21. 23.20 5,4′-Dihydroxy-3′-methoxy-6,7-methylenedioxy isoflavone (Iriflogenin) 276 327 309, 291, 283, 180, 165, 137 C17H12O7 [32]
22. 23.73 Dihydroxy-methoxy-6,7-methylenedioxy isoflavone 276 327 309, 291, 283, 229, 179, 165 C17H12O7 [32]
23. 29.14 Dihydroxy-23-oxo-12-oleanen-28-oic acid-O-pentosyl dihexoside 275 941 779, 617, 485 C48H77O18 [33]
24. 29.41 Dihydroxy-octadecadienoic acid
(Dihydroxy-linoleic acid)		 274 311 293, 267, 171, 153 C18H32O4 [15]
25. 35.93 Hydroxy octadecatrienoic acid
(Hydroxy-linolenic acid)		 276 293 275, 249, 211, 183, 171, 121 C18H30O3 [15]
26. 38.45 Hydroxy octadecadienoic acid
(Hydroxy-linoleic acid)		 277 295 277, 251, 211, 195, 183, 171 C18H32O3 [15]
27. 41.33 Hydroxy octadecenoic acid
(Hydroxy-oleic acid)		 276 297 279, 253, 171 C18H34O3 [15]
28. 48.29 Hydroxyhexadecanoic acid (Hydroxy-palmitic acid) Nd 271 253, 225, 210 C16H32O3 [18]
29. 54.51 Hydroxyoctadecanoic acid (Hydroxy-stearic acid) Nd 299 253 C18H36O3 [18]