Effect of Tong Xie Yao Fang on endogenous metabolites in urine of irritable bowel syndrome model rats

Table 1 Information of potential biomarkers in urine of irritable bowel syndrome model

No.	HMDB ID	Retention time/min	M/Z	Chemical formula	VIP	Select the ions	Common name	Expression trend
								M vs K	G vs M	Z vs M	D vs M
1	HMDB00187	3.854	105.04	C3H7NO3	2.00494	[M + H]+	L-serine	↑	↓	↓	↓
2	HMDB13198	8.663	184.04	C8H8O5	4.85675	[M-H] +	4-methylgallic acid	↑	↓	↓	↓
3	HMDB00167	3.204	119.06	C4H9NO3	3.76891	[M + H]-	L-threonine	↓	↑	↑	↑
4	HMDB00635	2.915	158.06	C7H10O4	8.66271	[M-H]-	Succinylacetone	↑	↓	↓	↓
5	HMDB29018	1.084	228.11	C10H16N2O4	5.22312	[M + H]+	Prolyl-hydroxyproline	↑	↓	↓	↓
6	HMDB29136	4.445	204.11	C8H16N2O4	4.11234	[M + H]-	Valyl-serine	↓	↑	↑	↑
7	HMDB59808	4.954	232.02	C8H8O8	2.23843	[M + H]+	Acetyl citrate	↓	↑	↑	↑
8	HMDB41413	7.827	554.20	C26H24O13	9.34210	[M + H]+	Marmesin rutinoside	↑	↓	↓	↓
9	HMDB00472	1.213	220.08	C11H12N2O3	5.13710	[M + H]-	5-hydroxy-L-tryptophan	↑	↓	↓	↓

VIP: Variable importance in projection; HMDB: Human metabolic group database.