Gas chromatography/mass spectrometry based metabolomic study in a murine model of irritable bowel syndrome

Table 1 Assessment of fecal features

Fecal feature	Control	IBS	IBS + C. butyricum
After WAS exposure	6/0	0/6b	0/6b
Normal/Abnormal (n)
After treatment	6/0	0/6a	5/1c
Normal/Abnormal (n)

The presence of semisolid, pasty, or watery stools was considered abnormal.

^bP < 0.01: control vs IBS or IBS + C. butyricum;

^cP < 0.05, IBS vs IBS + C. butyricum;

^aP < 0.05, control vs IBS. C. butyricum: Clostridium butyricum; IBS: Irritable bowel syndrome; WAS: Water avoidance stress.

Table 2 Metabolites distinguishing irritable bowel syndrome mice from control mice

Compound	Formula	Similarity	RT (min)	VIP value	P value	Fold change	Trend compared with controls
N-acetyl-D-galactosamine 1	C8H15NO6	886	17.1523,0	1.167810623	0.002673237	2.665558179	Down
Myristic acid	C14H28O2	878	15.2969,0	1.454697623	0.033949959	2.405282471	Down
Arachidic acid	C20H40O2	837	19.8283,0	2.030221054	0.033823382	0.555519799	Up
1-Hexadecanol	C16H34O	761	16.2434,0	2.137279002	0.03239841	3.735617796	Down
Octadecanol	C18H38O	632	17.7928,0	1.226172539	0.039254153	3.503198671	Down
Phenylethylamine	C8H11N	764	12.6834,0	1.844742352	0.040836128	0.234956253	Up
2-Furoic acid	C5H4O3	710	7.80292,0	1.057850377	0.044324108	1.829643584	Down
4,2',4'-Trihydroxychalcone	C15H12O4	245	22.6862,0	1.871154718	0.049356394	0.502503451	Up
24,25-Dihydrolanosterol	C30H52O	593	25.186,0	2.237217404	0.041969612	0.449343275	Up
Androsterone 1	C19H30O2	476	20.6021,0	1.51415211	0.031210567	2.125877191	Down
Chlorogenic acid 1	C16H18O9	402	23.8786,0	1.950369158	0.016252537	3.264118801	Down
Cysteinylglycine 2	C10H18N4O6S2	393	16.5878,0	2.464379346	0.003149634	11.06227902	Down
Alpha-tocopherol	C29H50O2	305	24.0995,0	1.25237824	0.040967864	0.406678915	Up
4-Hydroxybenzoic acid	C7H6O3	811	13.2781,0	1.348316951	0.0129929	2.36224644	Down

IBS: Irritable bowel syndrome; RT: Retention time; VIP: Variable importance in the projection.

Table 3 Differentially excreted metabolites in response to Clostridium butyricum

Compound	Formula	Similarity	RT (min)	VIP value	P-value	Fold change	Trend compared with IBS mice
Pantothenic acid	C9H17NO5	844	16.4657,0	1.387200939	0.016130158	0.408462268	Up
Cysteinylglycine 2	C10H18N4O6S2	393	16.5878,0	1.498082744	0.047913423	0.166509123	Up
D-Arabitol	C5H12O5	807	14.118,0	2.6949064	0.04068909	2511115.131	Down
Arbutin	C12H16O7	569	20.5587,0	1.693255625	0.019486947	0.467550145	Up
3-Hydroxyphenylacetic acid	C8H8O3	545	13.0677,0	1.462693364	0.014333152	0.467960253	Up
4-Hydroxybenzaldehyde 2	C7H6O2	798	11.9397,0	1.38788733	0.01853018	0.376921771	Up
1-Hexadecanol	C16H34O	761	16.2434,0	2.206799293	0.049776549	0.311045618	Up
Octadecanol	C18H38O	632	17.7928,0	1.352431526	0.033517221	0.308621946	Up
5,6-Dihydrouracil 1	C4H6N2O2	512	11.8596,0	1.260961668	0.022218939	0.600255286	Up
Androsterone 1	C19H30O2	476	20.6021,0	1.62619412	0.04838445	0.494710622	Up

IBS: Irritable bowel syndrome; RT: Retention time; VIP: Variable importance in the projection.