The Potential Mechanism of Zishen Yutai Pills against Threatened Abortion: An Approach Involving Network Pharmacology and Experimental Evidence

Table 3

Chemical constituents identified in ZYP based on UPLC-Q-TOF/MS.

No.	Retention time (min)	Ion species	Measured value (m/z)	Theoretical value (m/z)	^Δppm	Molecular formula	Compound name	MS/MS	Source
1	1.73	[M + H]^+	130.0499	130.0499	0.3	C5H7NO3	L-pyroglutamic acid	130.0499, 84.0415, 56.0468	A
2	2.38	[M − H]^−	243.0618	243.0623	−2.0	C9H12N2O6	Uridine	152.0358, 122.0232, 110.0239, 82.0289, 66.0334	D, I, J
3	2.95	[M − H]^−	389.1085	389.1089	−1.2	C16H22O11	Monotropein	389.1058, 227.0553, 191.0338, 147.0440, 89.0235, 59.0130	G
4	3.63	[M − H]^−	389.1086	389.1089	−1.1	C16H22O11	Scandoside	389.1070, 227.0553, 209.0445, 165.0551, 137.0598, 59.0130	G
5	4.19	[M − H]^−	169.0144	169.0142	0.7	C7H6O5	Gallic acid	169.0114, 125.0235, 79.0181, 59.0231	E, F, M
6	6.52	[M − H]^−	389.1091	389.1089	0.2	C16H22O11	Deacetylasperulosidic acid	389.1080, 227.0552, 209.0441, 183.0658, 165.0549, 89.0235	G, M
7	6.57	[M + H]^+	268.1556	268.1543	4.2	C14H21NO4	Codonopsine	161.0500, 121.0556, 88.0678, 58.0577	J
8	6.81	[M + H]^+	127.0396	127.0390	4.7	C6H6O3	Maltol	127.0388, 109.0228, 81.0336, 53.0383	A
9	8.12	[M − H]^−	515.1407	515.1406	0.1	C22H28O14	3-O-(3′-O-caffeoyl glucosyl) quinic acid or isomer	515.1393, 341.0864, 179.0343, 135.0440	K, B, M
10	8.22	[M + H]^+	247.1445	247.1441	1.6	C14H18N2O2	Hypaphorine	188.0704, 170.0598, 146.0602, 118.0654, 91.0535, 60.0808	F
11	8.66	[M − H]^−	353.0881	353.0878	0.4	C16H18O9	Neochlorogenic acid	353.0864, 191.0556, 179.0342, 135.0445, 85.0286	K, B, M, L, I, H, J
12	9.66	[M − H]^−	375.1299	375.1297	0.3	C16H24O10	8-Epiloganic acid	375.1289, 213.0764, 169.0860, 113.0237, 69.0340	D
13	10.47	[M − H]^−	515.1408	515.1406	−0.1	C22H28O14	5-O-(3′-O-caffeoyl glucosyl)quinic acidor isomer	515.1392, 353.0869, 191.0558, 179.0338, 93.0337	K, B, M
14	10.80	[M − H]^−	515.1403	515.1406	−0.7	C22H28O14	4-O-(3′-O-caffeoyl glucosyl)quinic acidor isomer	515.1389, 353.0866, 341.0866, 191.0558, 179.0343, 173.0448	K, B, M
15	12.20	[M − H]^−	353.0884	353.0878	1.5	C16H18O9	Chlorogenic acid	191.0557, 179.0344, 173.0450, 135.0446	K, B, M, L, I, H, J, E
16	12.37	[M + HCOO]^−	403.1249	403.1246	0.3	C16H22O9	Sweroside	403.1249, 357.1125, 195.0654, 125.0237, 59.0129	L
17	12.52	[M − H]^−	353.0883	353.0878	1.1	C16H18O9	Cryptochlorogenic acid	191.0562, 161.0236, 85.0286	K, B, M, L, I, H
18	13.31	[M + HCOO]^−	435.1505	435.1508	−0.9	C17H26O10	Loganin	435.1505, 227.0910, 195.0637, 161.0388, 101.0235	L
19	14.00	[M + H]^+	634.2981	634.2970	1.4	C31H43N3O11	N1-dihydrocaffeoyl-N3-caffeoyl-spermidine-hexoside or isomer	634.2974, 472.2448, 382.1493, 310.2123, 220.0960, 163.0382	K
20	16.09	[M + Cl]^−	717.2164	717.2167	−0.5	C32H42O16	Pinoresinoldiglucoside	717.2159, 681.2358, 519.1862, 357.1341, 199.0189	M
21	17.34	[M − H]^−	563.1399	563.1406	−1.3	C26H28O14	Schaftoside	563.1400, 545.1725, 473.1082, 443.0978, 383.0765, 353.0650	H
22	17.56	[M − H]^−	563.1402	563.1406	−0.9	C26H28O14	Isoschaftoside	563.1399, 545.1281, 473.1076, 443.0976, 383.0767, 353.0660	H
23	19.68	[M − H]^−	405.1192	405.1191	−0.2	C20H22O9	2,3,5,4′-tetrahydroxystilbene-2-O-β-D-glucoside	243.0659, 225.0542, 173.0592, 137.0236, 93.0338	F
24	20.06	[M − H]^−	463.0876	463.0882	−1.3	C21H20O12	Hyperoside	463.0868, 300.0269, 271.0233, 151.0023	E, B, M, K, A, M
25	22.93	[M − H]^−	515.1199	515.1195	0.3	C25H24O12	Isochlorogenic acid B	515.1184, 353.0873, 191.0554, 173.0451, 135.0444	L, B, H
26	24.11	[M − H]^−	447.0928	447.0933	−1.0	C21H20O11	Quercitrin	447.0919, 300.0268, 271.0238, 178.9975, 151.0025	E, B, C
27	24.66	[M − H]^−	515.1194	515.1195	−0.6	C25H24O12	Isochlorogenic acid A	353.0872, 335.0758, 191.0553, 179.0342, 135.0445	L, B, M, H
28	25.00	[M − H]^−	269.0926	269.0932	−2.1	C15H14N2O3	Cuscutamine	269.0923, 225.1024, 183.0917, 156.0811	B
29	27.16	[M − H]^−	515.1199	515.1195	0.3	C25H24O12	Isochlorogenic acid C	515.1185, 353.0875, 191.0556, 173.0450, 135.0440	L, B, M, H
30	29.45	[M + Cl]^−	835.4603	835.4616	1.9	C42H72O14	Ginsenoside Rg1	835.4606, 799.4823, 179.0554,	A
31	37.14	[M − H]^−	1235.6083	1235.6066	1.13	C59H96O27	Macranthoidin A	1235.6083, 1173.5550, 911.5005, 603.3802	L
32	38.16	[M + NH4]^+	946.5404	946.537	3.2	C47H76O18	Asperosaponin VI	946.5390, 786.9318, 455.3521, 437.3412, 295.1022,	L
33	38.79	[M − H]^−	329.2329	329.2333	−1.4	C18H34O5	9,10,11-Trihydroxy-12-octadecanoic acidor isomer	329.2327, 293.2096, 211.1332, 171.1018, 139.1114	L, J
34	39.31	[M + Cl]^−	833.3948	833.3943	0.1	C37H66O18	Cus 3	833.3939, 633.3480, 407.1564, 243.1952	B
35	39.89	[M + Cl]^−	833.3947	833.3943	0.1	C37H66O18	Cus 3isomer	833.3944, 633.3471, 407.1524, 243.1960	B
36	41.43	[M − H]^−	1163.5875	1163.5855	1.6	C56H92O25	Malonylginsenoside Rb2 or Malonylginsenoside Rb3	1163.5863, 1119.5967, 1077.5869, 1059.5734	A
37	41.73	[M + Cl]^−	875.4042	875.4049	−0.3	C39H68O19	Cus 1	875.4053, 633.3469, 407.1535, 243.1955	B
38	42.69	[M + Cl]^−	875.4042	875.4049	−0.3	C39H68O19	Cus 1 isomer	875.4053, 633.3469, 407.1535, 243.1955	B
39	42.69	[M + Cl]^−	875.4042	875.4049	−0.3	C39H68O19	Cus 1 isomer	875.4053, 633.3469, 407.1535, 243.1955	B
40	43.08	[M + H]^+	345.0979	345.0969	2.5	C18H16O7	Eupatilin	345.0970, 330.0735, 315.0493, 269.0444, 169.0128	H
41	45.25	[M + Cl]^−	639.3664	639.3669	−0.7	C35H56O8	Cauloside A	639.3660, 603.3887	L
42	45.74	[M + H]^+	233.1536	233.1536	0.2	C15H20O2	Atractylenolide II	215.1427, 187.1480, 159.0801, 131.0852, 105.0696	I, J

A: Renshen; B: Tusizi; C: Sharen; D: Shudihuang; E: Sangjisheng; F: Show; G: Bajitian; H: Aiye; I: Baizhu; J: Dangshen; K: Gouqizi; L: Xuduan; M-Du Zhong.