. 2020 Apr 22;2020:1874065. doi: 10.1155/2020/1874065

Table 2.

Potential biomarkers of ulcerative colitis.

Metabolite	RT (min)	Actual mass	Formula	KEGG
m-Methylhippuric acid	3.70	193.1992	C₁₀H₁₁NO₃	—
5-Hydroxyindoleacetic acid	3.47	191.1834	C₁₀H₉NO₃	C05635
1,2,3-Propanetricarboxylic acid	0.99	176.1241	C₆H₈O₆	C19806
Ethanolamine	1.21	61.0831	C₂H₇NO	C00189
Adipic acid	1.05	146.1412	C₆H₁₀O₄	C06104
L-isoleucine	1.02	131.1729	C₆H₁₃NO₂	C00407
Pyroglutamic acid	0.87	129.114	C₅H₇NO₃	C01879
L-histidine	13.52	155.1546	C₆H₉N₃O₂	C00135
4-Hydroxyproline	0.93	131.1299	C₅H₉NO₃	C01157
Sarcosine	0.87	89.0932	C₃H₇NO₂	C00213
3-Methylhistidine	1.66	169.1811	C₇H₁₁N₃O₂	C01152
Gamma-aminobutyric acid	0.96	103.1198	C₄H₉NO₂	C00334
Linoleic acid	9.48	280.4455	C₁₈H₃₂O₂	C01595
L-valine	1.02	117.1463	C₅H₁₁NO₂	C00183
Creatine	1.02	131.1332	C₄H₉N₃O₂	C00300
Cholesterol sulfate	8.43	466.717	C₂₇H₄₆O₄S	C18043
Arachidonic acid	9.16	304.4669	C₂₀H₃₂O₂	C00219
L-tyrosine	7.4	181.1885	C₉H₁₁NO₃	C00082
Palmitoleic acid	9.5	254.4082	C₁₆H₃₀O₂	C08362
Alpha-linolenic acid	9.44	278.4296	C₁₈H₃₀O₂	C06427
Oleic acid	9.55	282.4614	C₁₈H₃₄O₂	C00712
Biotin	3.61	244.311	C₁₀H₁₆N₂O₃S	C00120
L-proline	0.99	115.1305	C₅H₉NO₂	C00148
L-leucine	1.35	131.1729	C₆H₁₃NO₂	C00123
Glycine	3.72	75.0666	C₂H₅NO₂	C00037
D-glucose	0.99	180.1559	C₆H₁₂O₆	C00031
L-Serine	14.76	105.0926	C₃H₇NO₃	C00065
4-Hydroxyphenylacetic acid	1.95	152.1473	C₈H₈O₃	C00642