Differential Analysis of Serum Principal Components Treated with Compound Sophora Decoction and Related Compounds Based on High-Resolution Mass Spectrometry (HRMS)

Table 1

Details of the differential compounds between FFKST and M in the negative ion mode.

Rt (min)	Compounds	Formula	[M −H]^experimental	[M − H]^calculated	Error (ppm)	MS/MS
2.71	Unknown	C9H10O3	165.0559	165.0557	1.10	121, 96
3.23	4-Methoxybenzenesulfonic acid	C7H8O4S	187.0072	187.0071	0.80	107, 79
4.87	2-(4-Hydroxybutyl)succinic acid	C8H14O5	189.0770	189.0768	0.80	145, 129, 127, 99
10.65	N-Boc-4-piperidineethanol	C12H23NO3	228.1607	228.1605	0.80	211, 167
3.42	4-Methylcatechol-O,O-diacetic acid	C11H12O6	239.0559	239.0561	−0.90	179, 177, 149
50.09	Palmitelaidic acid	C16H30O2	253.2169	253.2173	−1.60	235
2.01	Piscidic acid	C11H12O7	255.0505	255.051	−2.10	175, 165, 149, 135, 93
4.20	Benzyl D-glucopyranuronate	C13H16O7	283.0820	283.0823	−1.20	107, 87
18.17	[6]-Gingerol	C17H26O4	293.1753	293.1758	−1.80	236, 221, 205, 192, 177
42.04	Ricinoleic acid	C18H34O3	297.2427	297.2435	−2.80	279, 183
36.27	Hexanedioic acid, dihexyl ester	C18H34O4	313.2375	313.2384	−3.00	295, 277, 213, 201, 171, 000
50.09	Unknown	C15H26N6O2	321.2040	321.2044	−1.40	253, 235
59.35	Unknown	C18H36N6	335.2926	335.2929	−0.80	130, 97
56.21	Unknown	C15H33N3O7	366.2240	366.2246	−1.60	281
27.85	12-[2-(3-Carboxypropoxy)phenoxy]dodecanoic acid	C22H34O6	393.2287	393.2296	−2.30	257, 231
7.62	Unknown	C17H17N8O6P	459.0916	459.0936	−4.30	283, 255, 240
23.78	Unknown	C25H32O8	459.2023	459.2024	−0.30	323, 254, 186
43.02	Unknown	C16H33N8O6P	463.2189	463.2188	0.20	378, 163, 78
29.71	Glycocholic acid	C26H43NO6	464.3017	464.3018	−0.10	402, 74
23.57	Unknown	C22H38N2O9	473.2503	473.2505	−0.30	405, 361
40.70	Unknown	C21H39N3O9	476.2610	476.2614	−0.70	391, 251
58.36	3,6,9,12,15-Pentaoxaheptacos-1-yl-hydrogen sulfate	C22H46O9S	485.2792	485.279	0.50	469, 421, 280
24.86	Unknown	C23H44NO6PS	492.2560	492.2554	1.20	407
6.61	Unknown	C19H10N10O8	505.0612	505.061	0.30	329, 314, 298
61.95	Unknown	C31H37N3O4	514.2716	514.2711	0.90	485, 470, 116
40.71	Unknown	C21H31N13O5	544.2482	544.2498	−3.00	476, 391, 129