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

Table 2

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

Rt (min)	Compounds	Formula	[M − H]^experimental	[M − H]^calculated	Error (ppm)	MS/MS
7.68	Butalbital	C11H16N2O3	223.109	223.1088	0.8	180, 153
31.13	6-(3-Hydroxypentan-3-yl)-2,2,6-trimethyloxane-3-carboxylic acid	C14H26O4	257.1759	257.1758	0.3	239, 195
57.88	Stearic acid	C18H36O2	283.2641	283.2643	−0.50	265
7.68	3′-Azido-2′,3′-dideoxyguanosine	C10H12N8O3	291.0962	291.096	0.8	291, 223, 180
18.24	[6]-Gingerol	C17H26O4	293.1762	293.1758	1.30	236, 221, 205, 192, 177
39.1	Unknown	C14H24N6O2	307.1892	307.1888	1.3	259, 239, 102
7.66	2-({5-Chloro-2-[(2-fluorobenzyl)oxy]benzyl}amino)ethanol	C16H17NO2FCl	308.0863	308.0859	1.3	223, 180
51.95	Unknown	C14H26N6O2	309.2045	309.2044	0.2	241, 104
44.5	Octadecanedioic acid	C18H34O4	313.2385	313.2384	0.2	295, 251
47.53	2-Dodecylbenzenesulfonic acid	C18H30O3S	325.1843	325.1843	0	293, 183
27.82	12-[2-(3-Carboxypropoxy)phenoxy]dodecanoic acid	C22H34O6	393.2282	393.2283	−0.2	257, 231
37.12	Glycodeoxycholic acid	C26H43NO5	448.3062	448.3068	−1.4	404, 74
29.67	Glycocholic acid	C26H43NO6	464.3013	464.3018	−1	402, 74
4.19	Unknown	C19H34N6O10	505.2261	505.2264	3.00	306, 241, 207
60.82	2-Deoxy-4-O-[(2E,4R,6E,8E,10S,11R,12S)-11-hydroxy-2,4,6,8,10,12-hexamethyl-5-oxo-2,6,8-docosatrienoyl]-D-erythro-pentonic acid	C33H56O8	579.3901	579.3902	−0.2	403, 175, 113
46.14	Unknown	C26H48N7O9P	632.3177	632.3178	−0.2	504, 279, 112
61.95	Galactosylceramide	C40H77NO8	698.558	698.5576	0.5	536, 426, 290, 179, 89
45.06	Unknown	C28H59N3O13P4	768.2929	768.2926	0.4	248, 180, 112