Chemical Components and Hepatoprotective Mechanism of Xwak Granule in Mice Treated with Acute Alcohol

Table 1

Identification of extracts from Xwak using UHPLC-Q-Orbitrap MS.

No.	Retention time (min)	Exact mass (m/z)	Molecular formula	Error (ppm)	MS^2 data (m/z)	Identification
1	2.74	195.05034	C6H12O7	2.10	129(20), 75(100)	Gluconic acid
2	2.89	341.10883	C12H22O11	2.89	179(5), 113(20), 89(40), 71(70), 59(100)	Caffeic acid-glucoside
3	2.92	191.05537	C7H12O6	1.88	93(20), 85(100)	Quinic acid
4	3.36	133.01324	C4H6O5	0.67	115(80), 71(100)	Malic acid
5	4.47	191.01901	C6H8O7	2.01	129(10), 111(100)	Critic acid
6	5.41	343.06739	C14H16O10	4.29	191(80), 169(70), 125(95), 107(100)	Galloyle-quinic acid
7	5.87	481.06250	C20H17O14	2.54	301(100), 275(60), 257(30), 229(40), 185(20)	HHDP-glucoside
8	5.91	331.0674	C13H16O10	3.93	169(80), 125(100)	Galloyle-glucoside
9	8.78	169.01338	C7H6O5	1.36	125(100)	Gallic acid
10	9.21	343.10367	C14H16O10	3.49	191(100), 169(70), 125(85), 107(90)	Galloyle-quinic acid
11	9.29	483.07867	C20H20O14	3.60	331(10), 169(60), 125(100), 107(30)	Digalloyl-glucoside
12	12.05	483.07825	C20H20O14	2.73	331(10), 169(60), 125(100), 107(20)	Digalloyl-glucoside
13	13.63	483.07828	C20H20O14	2.79	331(15), 169(60), 125(100), 107(20)	Digalloyl-glucoside
14	15.44	153.01847	C7H6O4	1.52	109(100)	2,3-Dihydroxybenzoic acid
15	17.98	353.08796	C16H18O9	3.53	191(80), 179(30), 161(10), 135(100), 85(30)	5-O-caffeoylquinic acid
17	18.01	483.07819	C20H20O14	2.31	313(25), 169(80), 125(100), 107(30)	Digalloyl-glucoside
18	22.76	339.07232	C15H16O9	3.72	177(100), 133(30), 105(20), 89(20)	Esculin hydrate
19	35.40	177.01860	C9H6O4	2.06	149(20), 133(90), 105(50), 89(40)	Esculetin
20	35.94	353.08795	C16H18O9	3.47	191(100), 161(5), 127(5), 93(15), 85(30)	3-O-caffeoyl quinic acid
21	38.64	353.08807	C16H18O9	3.86	191(40), 179(30), 173(50), 161(5), 135(100), 127(5), 93(50)	4-O-caffeoyl quinic acid
22	64.99	367.1045	C17H20O9	2.97	191(100), 193(20), 173(10), 155(5), 134(60), 93(80)	Feruloylquinic acid
23	65.23	515.11951	C25H24O12	1.97	353(10), 191(95), 179(50), 161(15), 135(100), 85 (20)	1,3-Di-O-caffeoyl quinic acid
24	65.24	635.08911	C27H24O18	1.92	465(50), 313,(40), 169(95), 125(100), 107(20)	Tri-O-galloyl-glucoside
25	66.52	469.0049	C21H30O15	1.80	300(100), 271(20), 229(30), 185(10)	Ellagic acid blactone
26	97.66	300.99887	C14H6O8	3.24	284(10), 245(20), 229(30), 185(10)	Ellagic acid
27	98.11	463.08832	C21H20O12	2.41	301(100)175(20), 151(50), 107(30)	Quercetin-7-O-glucoside
28	102.55	463.08832	C21H20O12	2.63	300(70), 271(100), 255(50), 243(40), 227(20), 151(20)	Hyperoside
29	103.47	609.14618	C27H30O16	1.92	300(90), 271(100), 255(50), 243(30), 227(10), 151(20)	Rutin
30	106.13	447.0934	C21H20O11	2.89	285(100), 256(20), 227(20), 133(30)	Luteolin-O-glucoside
31	106.41	477.06766	C21H18O13	2.71	301(100), 255(30), 227(10) , 179(35), 151(60), 107(30)	Quercetin-3-O-glucuronide
32	107.45	463.08844	C21H20O12	2.89	300(90), 271(100), 255(50), 243 (30), 227(20), 151(10)	Quercetin-3-O-glucoside
33	107.37	681.13068	C29H30O16	1.36	351(40), 299(60), 193(40), 113(80)	Tricin-7-O-diglucuronide
34	108.05	463.08847	C21H20O12	2.95	300(80), 271(100), 255(50), 243(30), 227(20), 151(15)	Quercetin-3′-O-glucoside
35	115.70	433.07784	C20H18O11		300(90), 271(100), 255(50), 243(30), 227(20), 151(15)	Quercetin-3-O-arabinoside
36	116.39	515.11957	C25H24O12	2.27	353(10), 191(50), 179(50), 173(55), 161(25), 135(100), 93(40)	3,4-Di-O-caffeoyl quinic acid
37	120.79	515.11963	C25H24O12	2.38	353(10), 191(50), 179(50), 173(55), 161(25), 135(100)	3,5-Di-O-caffeoyl quinic acid
38	129.63	447.09344	C21H20O11	2.80	284(50), 255(90), 227(100), 183(20), 151(5)	Kampferol-O-glucoside
39	130.18	447.09344	C21H20O11	2.81	300(85), 271(100), 255(55), 243(30), 227(15), 179(10), 151(20)	Quercetin-3-O-rhahmanoside
40	136.16	515.11938	C25H24O12	1.90	353(20), 191(40), 179(45), 173(70), 161(20), 135(100)	4,5-Di-O-caffeoyl quinic acid
41	140.94	431.09863	C21H20O10	3.15	284(50), 255(100), 227(90), 211(20), 183(10)	Kampferol-O-rhamnoside
42	141.43	417.11948	C21H22O9	3.51	255(100), 180(80), 153(30), 148(70), 135(80), 119(95), 108(50), 91(100)	Isoliquiritigenin-O-glucoside
43	145.43	529.13531	C26H26O12	2.38	367(5), 193(20), 179(5), 173(100), 161(20), 134(50), 93(70)	4-O-feruloyl, 5-O-caffeoy quinic acid
44	149.76	285.04050	C15H10O6	3.98	257(5), 243(5), 217(5), 131(100)	Luteolin
45	150.45	253.05049	C15H10O4	3.77	225(100), 210(10), 181(5)	Daidzein
46	150.53	431.09839	C21H20O10	2.59	269(100), 240(10), 225(40), 181(10)	Apigenin-O-gucoside
47	155.98	247.13373	C15H20O3	3.47	231(5), 203(100), 188(10), 163(20), 109(30)	Rupestonic acid
48	157.41	299.05627	C16H12O6	4.21	284(100), 256(80), 151(10)	Diosmetin