Investigating the pharmaceutical substances and action mechanisms of Changmaxifeng granules against tic disorders

Table 1 Chemical composition information of Changmaxifeng granules

No.	tR (minute)	Ion mode	Deviation (ppm)	Fragment; ions	Theoretical value	Molecular formula	Ingredient name	Source
1	0.81	[M-H]- 215.0348	1.86	149.0428	216.0423	C12H8O4	1-furan-2-yl-2-(4-hydroxy-phenyl)ethane-1,2-dione	TM
2	0.82	[M+H]+ 175.1197	1.14	116.0725; 158.0872	174.1117	C6H14N4O2	Arginine	BS
3	0.84	[M-H]- 165.039	-5.45	131.0469	166.0477	C5H10O6	Arabic acid	TM
4	0.85	[M-H]- 195.0492	-6.66	165.0399; 179.0583; 129.0202	195.0583	C6H12O7	Gluconic acid	BS/TM
5	1.03	[M-H]- 133.0139	1.5	71.0096; 115.0034	134.0215	C4H6O5	D-(+)-malic acid	TM
6	1.05	[M-H]- 115.0034	2.61	71.0133	116.011	C4H4O4	Fumaric acid	TM
7	1.37	[M-H]- 128.035	1.56	96.9606	129.0426	C5H7NO3	L-pyroglutamic acid	TM
8	1.49	[M-H]- 191.0206	7.33	111.0066	192.027	C6H8O7	Citric acid	BS/TM
9	1.49	[M-H]- 173.0096	5.78	111.0066; 129.0202	174.0164	C6H6O6	Trans-aconitic acid or its isomer	BS
10	1.71	[M-H]- 188.0566	3.72	128.035; 144.0627; 173.0038	189.0637	C7H11NO5	N-acetylglutamic acid	TM
11	1.72	[M-H]- 343.0668	0.87	191.0206	344.0743	C14H16O10	5-galloylquinic acid	BS
12	1.8	[M-H]- 243.0642	-6.17	107.0534	244.0736	C14H12O4	Gastrodibenzin B/C	TM
13	1.9	[M-H]- 375.1257	-9.06	341.1122; 300.9911	376.1369	C16H24O10	8-debenzoylpaeoniflorin	BS
14	1.95	[M-H]- 493.1178	-3.04	169.0121; 313.0574	494.1272	C19H26O15	6'-O-galloylsucrose or its isomer	BS
15	2.13	[M+H]+ 268.1019	-10.01	119.0341; 136.0614; 268.1090	267.0968	C10H13N5O4	Adenosine	BS
16	2.13	[M+H]+ 136.0614	-6.61	91.0423; 119.0389	135.0545	C5H5N5	AdenIne	TM
17	2.15	[M-H]- 331.0651	-4.23	316.1480; 271.4559	332.0743	C13H16O10	6-O-galloylglucose or its isomer	BS
18	2.28	[M-H]- 493.1178	-3.04	169.0121; 313.0574	494.1272	C19H26O15	6'-O-galloylsucrose or its isomer	BS
19	2.37	[M-H]- 282.0842	1.42	133.0139; 150.0412	283.0917	C10H13N5O5	Guanosine	BS/TM
201	2.46	[M-H]- 169.0121	-9.47	125.0238; 107.0082	170.0215	C7H6O5	Gallic acid	BS/TM
21	2.46	[M-H]- 125.0238	-0.8	81.0333	126.0317	C6H6O3	Maltol	BS
22	2.48	[M-H]- 125.0238	-0.8	107.7866; 95.0097; 77.0962	126.0317	C6H6O3	Pyrogallol	BS
23	2.62	[M-H]- 331.1049	6.04	313.0575	332.1107	C14H20O9	Mudanoside A	BS
241	2.62	[M-H]- 285.0993	6.66	268.0276	286.1053	C13H18O7	Gastrodin	TM
25	2.79	[M-H]- 359.1365	6.4	329.0024; 271.0459	360.142	C16H24O9	1-O-β-D-glucopyranosyl-paeoniflorin	BS
26	3.03	[M-H]- 493.1178	-3.04	169.0121; 313.0574	494.1272	C19H26O15	6'-O-galloylsucrose or its isomer	BS
27	3.14	[M-H]- 164.0698	-8.53	103.0476; 131.0419	165.079	C9H11NO2	L-phenylalanine	TM/ZZM
28	3.15	[M-H]- 331.0651	-4.23	313.0497; 271.0459	332.0743	C13H16O10	6-O-galloylglucose or its isomer	BS
29	3.24	[M-H]- 493.1178	-3.04	169.0121; 313.0574	494.1272	C19H26O15	6'-O-galloylsucrose or its isomer	BS
30	3.27	[M-H]- 313.0574	4.47	113.0234; 137.0263	314.0638	C13H14O9	2-carboxyphenyl-α-D-glucopyranuronic acid	TM
31	3.44	[M-H]- 447.1514	2.46	89.0203; 341.0718; 389.0217	448.1581	C19H28O12	Gastrodin A	TM
32	3.85	[M-H]- 527.1414	2.47	479.0424	528.1479	C23H28O14	Galloyl desbenzoylpaeoniflorin	BS
33	3.98	[M-H]- 589.1218	-1.53	167.0366; 259.0247	590.1305	C24H30O15S	Paeoniflorin E sulfite	BS
34	4	[M+H]+ 385.1481	-4.67	323.103	384.142	C18H24O9	Tenuifoliside D	YZ
35	4.01	[M-H]- 361.1504	1.38	315.0695	362.1577	C16H26O9	6-O-copyranosyl-lactinlide	BS
36	4.24	[M-H]- 343.1396	0.87	310.0282	343.1393	C16H24O8	Mudanpioside F/mudanpioside G	BS
37	4.24	[M-H]- 459.1151	2.61	401.1037	460.1217	C19H24O13	Parishin E/parishin G	TM
38	4.24	[M-H]- 173.0096	5.78	125.0287; 137.0071	174.0164	C6H6O6	Trans-aconitic acid or its isomer	TM
39	4.33	[M-H]- 633.0732	7.58	555.1772	634.0806	C27H22O18	Strictinin	BS
40	4.37	[M-H]- 461.129	-1.08	93.0323; 137.0225	462.1373	C19H26O13	Sibiricose A3	YZ
41	4.41	[M-H]- 705.1734	4.68	543.1223; 259.0247; 121.0279	706.1779	C29H38O18S	Isomaltopaeoniflorinsulfite or its isomer	BS
42	4.48	[M-H]- 451.1218	-4.88	169.0065; 245.0836; 289.0727	452.1319	C21H24O11	Catechin glucoside	BS
43	4.5	[M-H]- 203.0833	5.91	116.0501; 159.0521	204.0899	C11H12N2O2	Tryptophan	SCP
44	4.54	[M-H]- 459.1151	2.61	400.9901	460.1217	C19H24O13	Parishin E/parishin G	TM
45	4.54	[M-H]- 421.0773	0.47	259.0247	422.0849	C19H18O11	Isomangiferin	TM
46	4.55	[M-H]- 543.1121	-9.39	121.0279; 259.0247	544.1251	C23H28O13S	Paeoniflorin sulfite	BS
47	4.56	[M+H]+ 579.1458	-7.77	409.1026	578.1424	C30H26O12	Procyanidin B1/B2	BS
48	4.69	[M-H]- 483.0744	-6.42	125.0189; 151.0002; 169.0121	484.0853	C20H20O14	Paeoniflorin sulfite	BS
49	4.76	[M-H]- 577.1319	-4.68	289.0727	578.1424	C30H26O12	Procyanidin B1/B2	BS
50	4.79	[M-H]- 495.1466	-7.47	465.1419; 137.0225	496.1581	C23H28O12	Oxypaeoniflorin or its isomer	BS
51	4.81	[M+H]+ 414.1312	-5.55	162.0233; 308.0806	413.1257	C17H23N3O7S	Sulfur-(4-hydroxybenzyl)-glutathione	TM
52	4.81	[M+H]+ 576.1881	3.12	320.0902	575.1785	C23H33N3O12S	S-gastrodin-glutathione	TM
53	4.82	[M-H]- 175.0605	-0.57	161.0244	176.0685	C7H12O5	2-Isopropylmalic acid	TM
54	4.92	[M-H]- 635.0884	4.41	169.0121; 313.0574	636.0963	C27H24O18	1,3,6-Tri-O-galloyl-β-D-glucose	BS
55	4.95	[M-H]- 517.1526	-5.99	160.0174; 175.0432; 193.0479	518.1636	C22H30O14	Sibiricose A5	YZ
56	4.97	[M+H]+ 139.0400	3.6	77.0374	138.0317	C7H6O3	Salicylic acid	TM/YZ/SCP
57	4.98	[M+H]+ 291.0884	5.15	247.0267; 263.1024	290.079	C15H14O6	Catechin	BS
58	4.99	[M-H]- 245.0836	8.98	190.026	246.0892	C14H14O4	Peonol	BS
59	5	[M-H]- 289.0727	5.19	123.0444; 205.0483	290.079	C15H14O6	Epicatechin	BS
60	5	[M-H]- 183.0303	5.46	78.0115; 124.0151; 168.0370	184.0372	C8H8O5	Methyl gallate	BS
61	5	[M-H]- 547.1702	7.13	205.0483	548.1741	C23H32O15	Sibiricose A1	YZ
62	5.19	[M-H]- 205.0359	5.36	111.0112	206.0427	C7H10O7	3-Hydroxy-3-(methoxycarbonyl) pentan	TM
63	5.36	[M-H]- 785.0837	0	125.0279	786.0916	C34H26O22	Tellimagrandin I	BS
64	5.36	[M-H]- 889.2623	1.01	85.0282; 111.0066; 780.1116	890.2692	C38H50O24	Parishin V	TM
65	5.39	[M+H]+ 374.1462	-0.53	136.0614	373.1386	C17H19N5O5	N-(4-hydroxypheny) adenosine	TM
66	5.43	[M-H]- 727.2141	7.56	129.0202	728.2164	C32H40O19	Parishin B	TM
67	5.57	[M-H]- 757.2173	-2.38	71.0133; 453.0717	758.2269	C33H42O20	Parishin M	TM
68	5.63	[M-H]- 687.2103	-4.8	635.0635; 165.0502; 121.0279	688.2215	C30H40O18	6'-O-β-D-glucopyranosylalbiflorin	BS
69	5.66	[M+H]+ 342.1699	-1.75	237.0880; 297.0598	341.1627	C20H23NO4	N-Methylhernagine	BS/TM
701	5.71	[M-H]- 479.1568	2.09	525.1579	480.1632	C23H28O11	Albiflorin	BS
71	5.71	[M-H]- 525.158	-5.33	165.0558; 167.0309; 327.1120; 363.1698	526.1686	C24H30O13	Mudanpioside E	BS
72	5.72	[M-H]- 727.2141	7.56	111.0066; 161.0465	728.2164	C32H40O19	Parishin C	TM
73	5.72	[M+H]+ 319.1151	-9.71	301.1047	318.1103	C17H18O6	Evofolin B	SCP
74	5.73	[M+H]+ 197.0822	4.06	151.078; 179.0684	196.0736	C10H12O4	Paeonilactone B	BS
75	5.73	[M+H]+ 133.0648	-3.76	77.0374; 105.0681; 115.0545	132.0575	C9H8O	Cinnamaldehyde	BS/SCP
76	5.98	[M+H]+ 539.1373	-5.19	503.1316	538.1323	C24H26O14	Sibiricaxanthone A	YZ
77	6.00	[M-H]- 285.0404	1.75	257.0396; 268.0276	286.0477	C15H10O6	Kaempferol	BS/TM
78	6.00	[M-H]- 537.1243	-0.19	315.0464; 387.0604	538.1323	C24H26O14	Sibiricaxanthone B	YZ
79	6.08	[M+H]+ 463.1623	4.1	151.0780; 179.0684	462.1526	C23H26O10	Lactiflorin	BS
801	6.09	[M-H]- 479.1568	2.09	77.0387; 121.0329; 165.0607; 327.1063; 449.1483; 959.3233	480.1632	C23H28O11	Paeoniflorin	BS
81	6.09	[M-H]- 121.0279	-9.09	77.0387	122.0368	C7H6O2	4-hydroxybenzaldehyde	TM
82	6.1	[M-H]- 165.0558	3.64	121.0279; 77.0387	166.063	C9H10O3	Paeonol	BS
83	6.16	[M-H]- 431.1373	7.19	327.1041	432.142	C22H24O9	Heptemthoxyflavone	BS
84	6.23	[M-H]- 567.1356	1.06	345.0594; 315.0541; 272.0318	568.1428	C25H28O15	Polygalaxanthone VIII	YZ
85	6.42	[M-H]- 495.1466	-7.47	427.1026; 137.0225	496.1581	C23H28O12	Oxypaeoniflorin or its isomer	BS
86	6.48	[M-H]- 787.104	5.84	169.0121; 456.0666; 617.0786	788.1072	C34H28O22	1,3,4,6-tetragalloylglucose	BS
87	6.55	[M+H]+ 199.0596	-5.02	163.0358; 153.0205	198.0528	C9H10O5	Ethyl gallate	BS
88	6.64	[M-H]- 995.3086	5.43	423.0960; 728.2154	996.3111	C45H56O25	Parishin A	TM
89	6.69	[M-H]- 433.1162	6.23	111.0020; 271.0603; 397.1084	434.1213	C21H22O10	Dihydroxyflavone-glucoside	BS
90	6.73	[M-H]- 300.9986	0.66	271.0603; 245.9800	302.0063	C14H6O8	Ellagic acid	BS
91	6.89	[M+H]+ 271.0762	-0.37	147.0451; 153.0151; 273.0834	272.0685	C15H12O5	Naringenin	BS
92	6.9	[M-H]- 667.1871	-0.45	205.0483; 461.1384	668.1952	C30H36O17	Tenuifoliside B	YZ
93	6.92	[M-H]- 433.1162	6.23	119.0471; 151.0002; 271.0603	434.1213	C21H22O10	Isosalipurposide	BS
94	6.94	[M-H]- 223.0618	5.38	93.0365; 121.0279	224.0685	C11H12O5	Sinapinic acid	TM
95	7.18	[M-H]- 631.1628	-5.55	465.1419; 313.1419; 271.0459; 169.0121	632.1741	C30H32O15	Galloylpaeoniflorin or its isomer	BS
96	7.25	[M-H]- 631.1628	-5.55	465.1419; 313.1419; 271.0459; 169.0121	632.1741	C30H32O15	Galloylpaeoniflorin or its isomer	BS
971	7.44	[M-H]- 939.1152	5.11	769.0880; 617.0786; 447.0591; 169.0121	940.1182	C41H32O26	1,2,3,4,6-pentagalloylglucose	BS
98	7.71	[M-H]- 631.1628	-5.55	465.1419; 313.1419; 271.0459; 169.0121	632.1741	C30H32O15	Galloylpaeoniflorin or its isomer	BS
99	7.81	[M-H]- 611.1589	-3.76	465.1042; 287.0197	612.169	C27H32O16	Polygalaxanthone VII	YZ
1001	7.82	[M-H]- 753.2277	-4.65	205.0518; 223.0675; 367.1056; 529.1638; 547.1773	754.232	C34H42O19	3,6′-disinapoyl sucrose	YZ
101	7.97	[M-H]- 631.1628	-5.55	465.1419; 313.1419; 271.0459; 169.0121	632.1741	C30H32O15	Galloylpaeoniflorin or its isomer	BS
102	8.13	[M-H]- 631.1628	-5.55	465.1419; 313.1419; 271.0459; 169.0121	632.1741	C30H32O15	Galloylpaeoniflorin or its isomer	BS
103	8.2	[M-H]- 723.2156	2.77	631.1628	724.2215	C33H40O18	Arillanin A	YZ
104	8.5	[M+H]+ 481.1678	-6.65	105.0323; 436.1096	480.1632	C23H28O11	Mudanpioside I	BS
105	8.52	[M-H]- 503.1763	-0.4	209.0763; 485.1499	504.1843	C22H32O13	Polygalatenosides E	YZ
106	8.64	[M-H]- 651.1879	-7.06	137.0225; 281.0656; 443.1159	652.2003	C30H36O16	Tenuifoliside-652	YZ
107	8.7	[M-H]- 1453.4358	-6.81	145.0315; 1039.3169; 1119.3817; 1161.3540	1454.4535	C65H82O37	Tenuifoliose Q	YZ
108	8.74	[M-H]- 509.1694	6.87	479.1472; 169.0121; 121.0279	510.1737	C24H30O12	Mudanpioside D	BS
109	8.78	[M+H]+ 481.1678	-6.65	77.0374	480.1632	C23H28O11	Albiflorin R1	BS
110	8.79	[M-H]- 647.1489	8.34	121.0279; 213.0223; 259.0247; 525.0979	648.1513	C30H32O14S	Benzoylpaeoniflorin sulfonate	BS
111	8.81	[M-H]- 283.0826	2.83	255.8088	284.0894	C13H16O7	Benzyl glucoside	BS
112	9.18	[M-H]-783.1761	-1.53	169.0121; 465.1325; 631.1519	784.1851	C37H36O19	3’-6’-D-O-galloylpaeoniflorin	BS
113	9.25	[M-H]- 681.2019	-1.76	179.0349; 281.0656; 443.1159	682.2109	C31H38O17	Tenuifoliside A	YZ
114	9.61	[M+H]+ 271.0609	1.11	95.0152; 207.0684	270.0528	C15H10O5	Galangin	SCP
115	9.65	[M-H]- 269.0438	-4.46	251.0329	270.0528	C15H10O5	Baicalein	BS
116	9.66	[M-H]- 599.1808	7.18	137.0276	600.1843	C30H32O13	Benzoyloxypaeoniflorin	BS
117	9.71	[M-H]- 1525.4702	2.23	1379.4265	1526.4746	C68H86O39	Tenuifoliose F	YZ
118	9.74	[M-H]- 1495.4609	3.14	1161.3540; 1203.3713; 1349.4047	1496.4641	C67H84O38	Tenuifoliose L	YZ
119	9.82	[M-H]- 1253.3766	-0.48	753.2396; 809.2495; 955.3134; 1077.3359	1254.385	C56H70O32	Tenuifoliose T	YZ
120	9.85	[M+H]+ 314.1379	-4.14	93.0645	313.1314	C18H19NO4	N-trans-Feruloyltyramine	TM
121	9.88	[M-H]- 312.1232	-1.28	281.2414	313.1314	C18H19NO4	Feruloyl tyramine	SCP
122	10.01	[M-H]- 447.2253	5.14	59.0121; 89.0244	448.2308	C21H36O10	Geraniol-primeveroside	BS
123	10.12	[M-H]- 767.2444	5.87	223.0672; 237.0764; 529.1638	768.2477	C35H44O19	Tenuifoliside C	YZ
124	10.17	[M-H]- 1223.3766	8.17	145.0315; 307.0751; 955.2988; 1077.3217; 1101.3361	1224.3745	C55H68O31	Tenuifoliose S	YZ
125	10.43	[M-H]- 1295.3929	3.94	997.3134; 1119.3524	1296.3956	C58H72O33	Tenuifoliose C/tenuifoliose E	YZ
126	10.57	[M-H]- 237.0761	-0.84	206.0752; 222.0520	238.0841	C12H14O5	4-hydroxy-3,5-dimethoxylcinnamate	YZ
127	10.67	[M-H]- 1397.621	-1.07	-	1398.6303	C64H102O33	Arillatanoside C	YZ
128	10.79	[M-H]- 445.2051	-5.17	311.0902	446.2152	C21H34O10	Β-pinen-10-yl-β-vicianoside	BS
129	10.83	[M-H]- 1307.3984	8.11	307.0827; 653.1922; 1161.3689	1308.3956	C59H72O33	Tenuifoliose J/tenuifoliose I	YZ
130	10.88	[M-H]- 1265.5903	7.9	425.3125; 455.3217; 499.1701; 585.1967; 1235.5663	1266.5881	C59H94O29	Desacylsenegasaponin B	YZ
131	10.96	[M-H]- 1541.6667	-8.63	425.3125; 1317.3502	1542.6879	C74H110O34	Onjisaponin H	YZ
132	10.98	[M-H]- 1411.6322	-4.25	-	1412.646	C65H104O33	Desacylsenegasaponin III	YZ
133	11.2	[M-H]- 1235.5818	9.79	337.1186; 455.3217; 555.1955	1236.5775	C58H92O28	Arillatanoside A	YZ
134	11.29	[M-H]- 1381.6334	4.2	701.1796; 1157.5767; 1351.6196	1382.6354	C64H102O32	Polygalasaponin XIX	YZ
135	11.36	[M-H]- 711.2166	4.22	694.1769	712.2215	C32H40O18	Telephiose C	SCP
136	11.47	[M-H]- 1249.5913	4.8	425.3125; 455.3217; 1025.5084; 1219.5607	1250.5932	C59H94O28	Onjisaponin Tf	YZ
137	11.5	[M-H]- 1525.6748	3.21	1157.5618; 1351.6196; 1463.7104	1526.6777	C70H110O36	Onjisaponin Te	YZ
138	11.53	[M-H]- 1379.6213	6.81	425.3125; 455.3217; 1235.5817	1380.6198	C64H100O32	Onjisaponin TG	YZ
139	11.54	[M-H]- 1103.5229	-4.08	455.3146	1104.5353	C53H84O24	Polygalasaponin XXVIII	YZ
140	11.55	[M-H]- 1307.3984	8.11	307.0827; 653.1922; 1161.3689	1308.3956	C59H72O33	Tenuifoliose J/tenuifoliose I	YZ
141	11.71	[M-H]- 741.2241	-0.13	179.0583; 684.2599	742.232	C33H42O19	Parishin K	TM
142	11.9	[M-H]- 1367.4008	-5.92	1027.3135; 1191.3721	1368.4167	C61H76O35	Tenuifoliose O	YZ
143	11.91	[M-H]- 1265.3884	8.85	631.1901; 753.2276; 1143.3408; 1223.3461	1266.385	C57H70O32	Tenuifoliose K	YZ
144	11.97	[M-H]- 1349.4048	4.82	1039.3309; 1161.3689; 1203.3713	1350.4061	C61H74O34	Tenuifoliose H	YZ
145	12.18	[M-H]- 583.1800	-2.74	553.1725; 121.0279	584.1894	C30H32O12	Benzoylpaeoniflorin	BS
146	12.18	[M-H]- 629.1896	4.13	121.0279	630.1949	C31H34O14	Mudanpioside B/mudanpioside J	BS
147	12.19	[M-H]- 1379.4103	1.01	347.0917; 1161.3540	1380.4167	C62H76O35	Tenuifoliose A	YZ
148	12.22	[M-H]- 1409.418	-1.06	825.3434; 1069.3090; 1111.3448; 1173.3512; 1191.3871	1410.4273	C63H78O36	Tenuifoliose N	YZ
149	12.22	[M-H]- 1325.3993	0.75	661.2083; 1149.3740; 1203.3866	1326.4061	C59H74O34	Senegose B/C	YZ
150	12.38	[M+H]+ 585.1997	4.27	77.0375; 105.0323	584.1894	C30H32O12	Benzoylalbiflorin	BS
151	12.4	[M-H]- 629.1896	4.13	121.0279	630.1949	C31H34O14	Mudanpioside B/mudanpioside J	BS
152	12.46	[M-H]- 1307.3984	8.11	307.0827; 653.1922; 1161.3689	1308.3956	C59H72O33	Tenuifoliose J/tenuifoliose I	YZ
153	12.51	[M-H]- 327.2147	-7.33	171.1021	328.225	C18H32O5	(12Z, 15Z) -9,10,11-trihydroxy-12,15-octadecadienoic acid	TM
154	12.62	[M+H]+ 303.0843	-8.58	245.0417; 261.0185	302.079	C16H14O6	Onjixanthone I	YZ
155	12.76	[M-H]- 677.355	1.92	629.0362	678.3615	C36H54O12	Sibiricasaponin A	YZ
156	12.83	[M-H]- 679.3682	-1.77	425.3086; 455.3146	680.3772	C36H56O12	Tenuifolin	YZ
157	12.89	[M+H]+ 295.2275	0.68	221.0807	294.2195	C18H30O3	13(S)-HOTrE	BS
158	12.9	[M-H]- 329.2322	-1.82	171.1021; 211.1272; 229.1422	330.2406	C18H34O5	9,12,13-TriHOME	BS
159	13	[M-H]- 1703.7188	-8.22	157.1910; 1479.7279	1704.7407	C80H120O39	Onjisaponin A	YZ
160	13.09	[M-H]- 1631.7034	-5.09	425.3125; 455.3123; 567.1970; 1601.6403	1632.7195	C77H116O37	Onjisaponin O	YZ
161	13.18	[M-H]- 1571.6836	-4.45	567.1865; 1347.6085; 1541.6838	1572.6984	C75H112O35	Onjisaponin B/onjisaponin D	YZ
162	13.23	[M-H]- 1617.6907	-3.34	425.3035; 455.3123; 1393.8030	1618.7039	C76H114O37	Polygalasaponin XLIV	YZ
163	13.26	[M-H]- 1673.7109	-6.81	425.3035; 1617.6730	1674.7301	C79H118O38	Z-polygalasaponin XXXII	YZ
164	13.26	[M+H]+ 347.1114	-4.9	289.0669; 331.1214	346.1053	C18H18O7	1,2,3,6,7-pentamethoxyxanthone	YZ
165	13.33	[M-H]- 1469.6482	3.13	1439.6489	1470.6515	C67H106O35	Polygalasaponin XXXXII	YZ
166	13.34	[M-H]- 1469.6482	-7.28	405.1388	1470.6667	C71H106O32	Onjisaponin Z	YZ
167	13.42	[M-H]- 1485.6475	-4.24	425.3125; 1455.6677	1486.6616	C71H106O33	Onjisaponin E	YZ
168	13.45	[M-H]- 1409.6310	-4.82	425.3125; 455.3217; 1185.6506; 1379.6375	1410.6456	C69H102O30	Onjisaponin Y	YZ
169	13.52	[M-H]- 1587.6880	1.57	155.3035; 583.1805; 1455.6344	1588.6933	C75H112O36	Onjisaponin F	YZ
170	13.52	[M-H]- 1455.6344	-6.05	237.0832; 425.3125; 455.3123; 1425.36638	1456.6511	C70H104O32	Onjisaponin G/onjisaponin J	YZ
171	13.58	[M-H]- 1733.7567	7.67	455.3217; 669.2285	1734.7512	C81H122O40	Onjisaponin S	YZ
172	13.62	[M-H]- 1599.6833	-1.38	1455.6344; 1537.7080	1600.6933	C76H112O36	Onjisaponin Gg/onjisaponin K	YZ
173	13.66	[M-H]- 1425.6309	-1.26	425.3035; 455.3123; 1395.6298; 1426.6205	1426.6405	C69H102O31	Senegasaponin B	YZ
174	13.72	[M-H]- 1323.6033	1.74	425.3035; 455.3217; 1293.5858	1324.6088	C65H96O28	Onjisaponin TH	YZ
175	13.99	[M-H]- 1263.5869	5.54	425.3125; 455.3123; 1233.6174	1264.5877	C63H92O26	Onjisaponin MF	YZ
176	14.31	[M-H]- 317.0649	-3.78	259.0338	318.074	C16H14O7	6,8-dihydroxy-1,2,4-trimethyoxyxanthone	YZ
177	15.66	[M-H]- 455.3146	-3.29	441.2885; 427.2561	456.324	C29H44O4	30-demethylated hederagenin	BS
178	16.3	[M+H]+ 373.2014	-0.27	331.0904	372.1937	C22H28O5	Pyrethrin II	BS
179	16.57	[M-H]- 471.3503	6.15	393.3143	472.3553	C30H48O4	Hederagenin or its isomer	BS
180	16.65	[M+H]+ 520.3367	-6.92	86.0983; 184.0721	519.3325	C26H50NO7P	2-dioleoyl-sn-glycero-3-phosphocholine	TM
181	16.99	[M-H]- 471.3503	6.15	393.3143	472.3553	C30H48O4	23-hydroxybetulinic acid	BS
182	17.29	[M-H]- 233.1523	-8.15	218.8748; 197.9078	234.162	C15H22O2	Acoronene	SCP
183	18.5	[M+H]+ 301.1426	8.63	127.0094; 132.9692	300.1321	C13H20N2O6	5-butyluridine	SCP
184	18.69	[M-H]- 293.1782	9.89	245.8978	294.1831	C17H26O4	6-gingerol	TM
185	20.34	[M+H]+ 297.2404	-8.75	253.1753; 261.0256	296.2351	C18H32O3	13-HODE	TM
186	20.57	[M-H]- 455.3519	-1.32	441.7197; 355.7012	456.3603	C30H48O3	Oleanolic acid or its isomer	BS
187	21.12	[M-H]- 455.3519	-1.32	441.7197; 355.7012	456.3603	C30H48O3	Oleanolic acid or its isomer	BS

¹Identification by comparison with reference material.

TM: Tianma; BS: Baishao; ZZM: Zhenzhumu; YZ: Yuanzhi; SCP: Shichangpu.