Table 2: Potential biomarkers in response to RA and their metabolic pathways.

ModeNumber /min FormulaIdentificationFolda valueaRelated pathway

11.16104.1076C5H14NOCholineb26.110.000Glycerophospholipid metabolism
21.19162.1129C7H15NO3Carnitineb−0.840.000Fatty acid metabolism, oxidative injury
31.20258.1108C8H21NO6PGlycerophosphocholinec25.390.000Glycerophospholipid metabolism
41.73204.1235C9H17NO4Acetylcarnitinec0.8190.006Fatty acid metabolism, oxidative injury
53.06166.0869C9H11NO2L-Phenylalanineb0.810.005Phenylalanine metabolism
ESI(+)65.07180.0661C9H9NO3Hippuric acidb25.270.007Phenylalanine metabolism
75.30194.0820C10H11NO3Phenylacetylglycinec−0.930.004Phenylalanine metabolism
810.13357.2796C24H36O2DHA ethyl esterc3.190.002Alpha linolenic acid and linoleic acid metabolism
914.89400.3427C23H45NO4Palmitoyl-L-carnitinec0.570.003Fatty acid metabolism
1016.58305.2481C20H32O2Arachidonic acidb0.940.002Arachidonic acid metabolism
1116.79271.2637C17H34O2Palmitic acid methyl esterc4.090.000Fatty acid metabolism

121.24157.0361C4H6N4O3Allantoinb2.130.000Purine metabolism, oxidative injury
131.74167.0207C5H4N4O3Uric acidb−1.160.004Purine metabolism, oxidative injury
142.19219.0775C11H12N2O35-Hydroxy tryptophanb0.990.008Tryptophan metabolism
ESI(−)154.51203.0831C11H12N2O2L-Tryptophanb1.610.003Tryptophan metabolism
168.34212.0025C8H7NO4SIndoxyl sulfatec1.270.003Tryptophan metabolism
176.21464.3024C26H43NO6Glycocholic acidc−0.380.022Bile acid biosynthesis
1810.14391.2855C24H40O4Deoxycholic acidc−0.440.046Bile acid biosynthesis

aFold changes (calculated as log2 (average peak intensity of model group/average peak intensity of normal control group) and value compared with normal control group on day 22.
bMetabolites validated with standards.
cMetabolites putatively annotated.