Biomarkers and Mechanism Analysis for Polygoni Multiflori Radix Preparata-Induced Liver Injury by UHPLC-Q-TOF-MS-Based Metabolomics

Table 1

Biomarker candidates of PMPE-induced liver injury.

	VIP	FC	m/z	Formula	Biomaker	HMDB	KEGG	P-value
Pos	4.98	0.72	188.06905	C11H9NO2	Indoleacrylic acid	HMDB00734	-	5.62E-05
	1.99	0.47	209.09043	C10H12N2O3	Kynurenine	HMDB0000684	C00328	2.84E-04
	1.41	0.79	302.30336	C18H39NO2	Sphinganine	HMDB0000269	C00836	4.11E-02
	1.62	0.76	318.29862	C18H39NO3	Phytosphingosine	HMDB0004610	C12144	3.47E-02
	1.62	1.82	454.29073	C21H44NO7P	LysoPE(0 : 0/16 : 0)	HMDB0011473	-	1.10E-02
	2.62	2.58	468.30649	C22H47NO7P	LysoPC(14 : 0)	HMDB0010379	C04230	2.33E-03
	1.07	1.65	482.32192	C23H48NO7P	LysoPC(15 : 0)	HMDB0010381	C04230	4.79E-03
	3.74	2.35	494.32224	C24H49NO7P	LysoPC(16 : 1(9Z))	HMDB0010383	C04230	4.65E-02
Neg	1.39	0.30	87.00888	C3H4O3	Pyruvate	HMDB0000243	C00022	3.10E-07
	5.7	0.47	89.02465	C3H6O3	Lactic acid	HMDB0000190	C00256	1.02E-02
	2.49	1.54	187.00644	C7H8O4S	p-Cresol sulfate	HMDB11635	C06677	4.23E-02
	2.05	2.38	464.30076	C26H43NO6	Glycocholic acid	HMDB0000138	C01921	1.22E-02
	1.14	2.30	465.30223	C27H46O4S	Cholesterol sulfate	HMDB0000653	C18043	1.42E-02
	2.33	1.80	496.27305	C26H45NO7S	Taurocholic acid	HMDB0000036	C05122	3.02E-02
	3.8	2.23	498.28706	C26H45NO6S	Taurochenodeoxycholic acid	HMDB0000951	C05465	3.30E-02
	1.05	1.50	524.27794	C27H44NO7P	LysoPE (22 : 6/0 : 0)	HMDB0011526	-	6.14E-03

Pos: positive; Neg: negative; FC: fold change; HMDB: human metabolome database; KEGG: Kyoto encyclopedia of genes and genomes. : compared with the reference standards.