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. 2023 Mar 6;14:1141147. doi: 10.3389/fphar.2023.1141147

TABLE 4.

List of the identification of potential bio-markers among groups.

No. Rt/min Actual_M Type ppm Proposed compound Formula KEGG ID
1 1.25 137.1312 [M + H]+ 6 Phenylacetic acid C8H8O2 C07086
2 1.78 137.0235 [M-H]- 3 4-Hydroxybenzoic acid C7H6O3 C00156
3 5.50 132.0648 [M + H]+ 4 5-Aminolevulinic acid C5H9NO3 C00430
4 6.90 130.0487 [M + H]+ 8 Pyrroline hydroxycarboxylic acid C5H7NO3 C04281
5 7.16 190.0486 [M + H]+ 6 Kynurenic acid C10H7NO3 C01717
6 10.21 293.2128 [M-H]- 2 9-OxoODE C18H30O3 C14766
7 13.83 397.2251 [M-H]- 3 S-Adenosylmethionine C15H22N6O5S C00019
8 14.58 191.1068 [M-H]- 1 5-Hydroxyindoleacetic acid C10H9NO3 C05635
9 16.35 101.0707 [M + H]+ 5 Methylmalonic acid C4H6O4 C02170
10 16.43 102.0333 [M + H]+ 7 Succinic acid semialdehyde C4H6O3 C00232
11 17.33 88.0755 [M + H]+ 1 4-Aminobutyraldehyde C4H9NO C02903
12 17.45 171.0335 [M + H]+ 5 3, 4- Dihydroxyphenylglycol C8H10O4 C05580