Profiling of Phytochemicals in Tissues from Sclerocarya birrea by HPLC-MS and Their Link with Antioxidant Activity

Table 3

Phytochemicals observed in HPLC-MS analysis of various parts of S. birrea.

Peak nnmber	RT (min)	Proposed compound ID	Empirical formula	Calculated 𝑚/𝑧	Observed 𝑚/𝑧	MS/MS ions
1	1.54	Disaccharide	C12H21O^−11	341.1084	341.1075	179.0, 143.1, 101.0
2	2.02	Gallic acid***	C7H5O5^−	169.0137	169.0126	125.0
3	2.74	Procyanidin dimer B2	C30H25O^−12	577.1346	577.1326	407.1, 289.0, 169.0, 125.0
4**	2.96	Dihydroxy benzoic acid pentoside	C12H13O8^−	285.0610	285.0605	152.1/153.1, 108.1/109.1
5	3.48	Monogalloylated procyanidin dimer B (P2G1)	C37H29O^−16	729.1456	729.1442	577.1, 407.1, 289.1, 169.0
6	3.88	Benzyl alcohol hexoside-pentoside	C18H25O^−10	401.1448	401.1454	301.0, 269.1, 161.1, 101.0
7	4.57	Hexose derivative	C20H31O^−10	431.1917	431.1924	269, 153.1
8	4.66	Digalloylated procyanidin B (P2G2)	C44H33O^−20	881.1565	881.1535	729.2, 559.6, 407.1, 169.0
9	5.60	Megastigmane hexoside	C26H35O^−12	539.2129	539.2111	491.2, 329.2, 165.1
10	6.28	Megastigmane hexoside	C26H35O^−12	539.2129	539.2123	491.2, 329.2, 165.1
11	7.34	Epicatechin 3-O-gallate (P1G1)***	C22H17O^−10	441.0822	441.083	289.1, 169.0
12*	8.20	Quercetin 3-O-β-D-(6′′-galloyl)glucopyranoside	C28H23O^−16	615.0986	615.0982	463.2, 301.1
13*	8.57	Quercetin 3-O-β-D-(6′′-galloyl)galactopyranoside	C28H23O^−16	615.0986	615.0982	463.2, 301.1
14*	9.37	Myricetin 3-O-α-L-rhamnopyranoside	C21H19O^−12	463.0877	463.0877	301.1
15*	9.63	Quercetin 3-O-β-D-glucopyranoside***	C21H19O^−12	463.0877	463.0887	301.1
16**	10.11	Quercetin 3-O-arabinoside***	C20H17O^−11	433.0771	433.0776	301.1
17*	10.53	Kaempferol 3-O-β-D-(6′′-galloyl)glucopyranoside	C28H23O^−15	599.1037	599.1041	447.1, 313.1, 285.1, 169.0
18*	11.03	Quercetin 3-O-α-L-rhamnopyranoside***	C21H19O^−11	447.0928	447.0941	301.1/300.0, 285.1/284.1
19*	11.36	Quercetin 3-O-α-(5′′-galloyl)arabinofuranoside	C27H21O^−15	585.0881	585.0876	433.1, 301.1
20**	11.60	Kaempferol pentoside	C20H17O^−10	417.0822	417.0838	285.1/284.0
21*	12.36	Kaempferol 3-O-α-L-rhamnopyranoside	C21H19O^−10	431.0978	431.0975	285.1
22**	12.61	Hydroxy benzoyl kaempferol-O-hexoside	C28H23O^−13	567.1139	567.1148	447.1, 285.0, 255.0, 137.0
23	12.99	Galloyl hexoside derivative	C26H35O^−11	523.2179	523.2172	361.2, 313.1, 169.0
24	2.38	Pentoside derivative	C20H29O^−12	461.1659	461.1653	329.1, 191.1, 179.1, 149.1
25	2.79	Catechin***	C15H13O6^−	289.0712	289.0700
26	3.12	Galloylepicatechin-epigallocatechin-3-O-gallate	C44H33O^−21	897.1514	897.1510	449.1, 407.1, 289.1, 177.0, 125.1
27	3.35	Epigallocatechin 3-O-gallate***	C22H17O^−11	457.0771	457.0763	305.1
28	3.75	Epicatechin***	C15H13O6^−	289.0712	289.0700
29	4.95	Trigalloylated procyanidin trimer (P3G3)	C66H50O^−30	1321.2309	1321.237	1169.3, 1017.3, 881.1, 577.1, 407.0, 169.0
30	5.47	Unknown	C21H19O^−17	543.0622	543.0618
31	8.04	Epicatechin-O-gallate (P1G1)	C22H17O^−10	441.0822	441.083	289.1, 169.0
32	9.37	Unknown	C13H7O8^−	291.0141	291.015
33	10.49	Digalloylated procyanidin dimer B (P2G2)	C44H33O^−20	881.1565	881.1577	729.2, 559.6, 407.1, 169.0
34	10.84	Unknown	C16H23O^−14	439.1088	439.1078
35	14.67	Unknown	C19H17O7^−	357.0975	357.084
36	3.56	Galloyl derivative	C20H21O^−12	453.1033	453.104	313.0, 169.0

∗Identified based on previous report by Braca et al. 2003 [13].
∗∗Previously unreported in Sclerocarya birrea.
∗∗∗Identification by comparison with standards.