Metabolic Profiling by UPLC–Orbitrap–MS/MS of Liver from C57BL/6 Mice with DSS-Induced Inflammatory Bowel Disease

Table 1

The twenty significant metabolites in liver of control group, DSS group, CA group, and GA group.

No.	Name	tR(min)	HMDB	KEGG	VIP>1	Relative intensity
						Control	DSS	CA	GA
1	Propionyl carnitine	2.31	HMDB0000824	C03017	∆^a	384.21 ± 98.64	5700.72 ± 2028.84^c	588.66 ± 375.78	847.76 ± 530.07
2	Arachidonic acid	14.09	HMDB0001043	C00219	∆	5997.26 ± 1389.78	2527.74 ± 396.91^c	3919.27 ± 744.50^e	4579.15 ± 951.61
3	Hypotaurine	1.23	HMDB0000965	C00519	∆	284.55 ± 70.53	4235.41 ± 2659.97^c	358.70 ± 289.65	606.52 ± 428.58^f
4	D-maltose	1.21	HMDB0000163	C00208	∆	1779.42 ± 483.21	1155.87 ± 283.50^b	1747.31 ± 317.29	1807.18 ± 343.14
5	4-Pyridoxic acid	2.02	HMDB0000017	C00847	∆	144.45 ± 66.08	65.88 ± 29.11^b	131.24 ± 19.31	164.84 ± 46.90
6	Cortisol	8.62	HMDB0000063	C00735	∆	11.69 ± 9.99	506.20 ± 352.53^c	21.59 ± 20.54	73.07 ± 52.63^g
7	Guanine	1.34	HMDB0000132	C00242	∆	187.17 ± 47.36	336.74 ± 109.82^c	245.23 ± 58.58	263.57 ± 57.07^f
8	Uracil	1.35	HMDB0000300	C00106	∆	4359.67 ± 764.58	2963.04 ± 608.96^b	5243.61 ± 1162.11	3965.74 ± 1520.60
9	L-Carnitine	1.24	HMDB0000062	C00318	∆	17807.48 ± 3512.00	38793.25 ± 6811.27^c	20469.79 ± 5089.24	23672.54 ± 7816.16
10	β-Cortolone	8.32	HMDB0013221	C05481	∆	18.50 ± 12.94	234.38 ± 106.55^c	5.97 ± 4.67	28.75 ± 24.15^f
11	Corticosterone	8.08	HMDB0001547	C02140	∆	3.72 ± 2.15	73.06 ± 37.02^c	2.27 ± 0.84	37.94 ± 30.86
12	Andrographolide	9.62	Na	NA	∆	2.31 ± 0.62	42.36 ± 22.28^c	4.05 ± 3.04	8.07 ± 5.67
13	Glycylproline	1.70	HMDB0000721	NA	∆	116.59 ± 19.36	213.04 ± 45.74^c	164.62 ± 29.84^d	154.76 ± 49.39
14	Thiamine	1.18	HMDB0000235	C00378	∆	1213.24 ± 172.57	721.46 ± 104.90^c	1244.25 ± 330.44	936.37 ± 77.03^g
15	Glutathione	1.33	HMDB0000125	C00051	—	39617.25 ± 6036.10	22513.56 ± 4980.63^c	34831.89 ± 6374.22	34240.51 ± 8982.61
16	N6-acetyl-L-lysine	1.28	HMDB0000206	C02727	∆	265.83 ± 37.06	507.29 ± 141.26^c	309.20 ± 95.39	350.36 ± 83.69^f
17	L-Kynurenine	3.25	HMDB0000684	C00328	∆	654.22 ± 129.20	2302.36 ± 1173.26^c	1233.12 ± 1104.86	1653.55 ± 699.91^g
18	2-Hydroxypropyl methacrylate	6.68	NA	NA	—	13422.12 ± 3602.44	10060.25 ± 2172.58^c	11174.65 ± 1769.03	8035.20 ± 2318.02^g
19	Palmitoyl carnitine	11.76	HMDB0000222	C02990	∆	39.64 ± 15.63	131.29 ± 32.20^c	39.09 ± 24.66	87.65 ± 56.63
20	Cortisone	8.38	HMDB0002802	C00762	∆	1.81 ± 0.46	33.18 ± 27.09^b	2.02 ± 0.92	10.02 ± 8.24^f

NA means not available. ^a∆ means VIP>1 in OPLS-DA. ^bDSS group compared with control group, .^cDSS group compared with control group, .^dCA group compared with control group, .^eCA group compared with control group, . ^fGA group compared with control group, . ^gGA group compared with control group, .