Table 4.

LC-MS metabolomic analysis of methanolic crude extracts of bract, flower, and stem of C. scolymus L.

Ret. Time	m/z	Adduct	Molecular Formula	Deduced Compound	References
Bract
1.38	353	[M-H]−	C16H18O9	chlorogenic acid	[41,42,43,44,45,46,47,48,49]
3.42	472	[M-2H]−	C23H22O11	apigenin-7-O-acetyl-glucoside	[41]
5.74	533	[M-H]−	C24H22O14	Luteolin 7-O-malonylglucoside	[41,47]
6.69	593	[M-2H]−	C27H30O15	luteolin-7-O-rutinoside	[41,49]
7.26	515	[M-H]−	C25H24O12	cynarin	[41,49]
8.01	425	[M-H]−	C21H30O9	cynarascoloside c	[41,50]
8.53	285	[M-H]−	C15H10O6	luteolin	[41,51]
9.33	269	[M-H]−	C15H10O5	apigenin	[41,51]
10.83	329	[M-H]−	C18H34O5	trihydroxyoctadecenoic acid	[41,52]
13.45	345	[M-H]−	C19H22O6	cynaropicrin	[45,53]
14.79	293	[M-H]−	C18H30O3	hydroxy-octadecatrienoic acid	[41]
Flower
1.95	353	[M-H]−	C16H18O9	cryptochlorogenic acid	[53]
2.79	179	[M-H]−	C9H8O4	caffeic acid	[45]
6.70	593	[M-H]−	C27H30O15	luteolin-7-O-rutinoside	[45]
6.88	925	[M-H]−	C47H74O18	Cynarasaponin A	[45]
6.88	925	[M-H]−	C47H74O18	cynarasaponin H	[45]
7.23	515	[M-H]−	C25H24O12	3,5-Di-O-caffeoylquinic acid	[54]
7.51	515	[M-H]−	C25H24O12	cynarin	[45,54]
8.46	285	[M-H]−	C15H10O6	luteolin	[44,45,55]
8.97	779	[M-H]−	C41H64O14	cynarasaponin F	[45]
9.25	269	[M-H]−	C15H10O5	apigenin	[44,45,55]
9.49	809	[M-H]−	C42H66O15	cynarasaponin E	[45]
11.30	307	[M-H]−	C18H28O4	hydroxyoxo-octadecatrienoic acid	[45]
Stem
1.01	353	[M-H]−	C16H18O9	chlorogenic acid	[56]
6.73	593	[M-H]−	C27H30O15	luteolin- 7-O-neohesperidoside	[56]
6.73	593	[M-H]−	C27H30O15	luteolin-7-O-rutinoside	[56]
7.06	461	[M-H]−	C21H18O12	luteolin-7-O-glucuronide	[57]
7.41	515	[M-H]−	C25H24O12	cynarin	[56,57]
8.18	779	[M-H]−	C41H64O14	cynarasaponin F	[52]
8.36	269	[M-H]−	C15H10O5	apigenin	[56]