Table 2.
Significantly altered metabolites
| Retention time | m/z | Metabolites | Adduction | Adduct mass | Delta ppm | Coefficient of variation (%) |
Comparison |
||
| 3.52 | C vs N | Y vs N | C vs Y | ||||||
| 9.57 | 166.0862 | Phenylalanine | M + H | 166.0863 | 1.00 | 8.36 | D | U | NS |
| 3.49 | 118.0864 | Valine | M + H | 118.0863 | 1.00 | 6.76 | D | NS | NS |
| 6.63 | 132.1019 | Leucine | M + H | 132.1019 | 0.00 | 3.34 | NS | U | NS |
| 3.58 | 116.0708 | Proline | M + H | 116.0706 | 1.00 | 14.23 | D | D | D |
| 5.42 | 182.0811 | Tyrosine | M + H | 182.0812 | 0.00 | 6.12 | NS | U | NS |
| 6.05 | 132.1019 | Isoleucine | M + H | 132.1019 | 0.00 | 3.37 | NS | U | D |
| 4.89 | 150.0583 | Methionine | M + H | 150.0583 | 0.00 | 9.28 | NS | U | NS |
| 3.16 | 156.0766 | Histidine | M + H | 156.0768 | 1.00 | 10.83 | D | U | D |
| 3.44 | 148.0602 | Glutamic acid | M + H | 148.0604 | 2.00 | 6.38 | U | D | U |
| 3.32 | 106.0502 | Serine | M + H | 106.0499 | 3.00 | 2.59 | D | U | D |
| 3.38 | 147.0762 | Glutamine | M + H | 147.0764 | 1.00 | 11.41 | NS | D | D |
| 3.44 | 90.0554 | Alanine | M + H | 90.0550 | 5.00 | 12.28 | D | D | NS |
| 5.43 | 165.0546 | Hydroxycinnamic acid | M + H | 165.0546 | 0.00 | 16.17 | D | NS | D |
| 5.43 | 123.0442 | Benzoic acid | M + H | 123.0441 | 1.00 | 10.11 | D | U | NS |
| 9.57 | 149.0596 | Cinnamic acid | M + H | 149.0597 | 1.00 | 12.29 | D | U | NS |
| 24.40 | 190.0497 | Kynurenic acid | M + H | 190.0499 | 1.00 | 6.51 | D | D | U |
| 26.39 | 169.0495 | Vanillic acid | M + H | 169.0495 | 0.00 | 3.41 | D | D | U |
| 13.83 | 239.0912 | Trimethoxycinnamic acid | M + H | 239.0914 | 1.00 | 5.08 | D | U | NS |
| 18.85 | 279.2318 | Linolenic acid | M + H | 279.2319 | 0.00 | 11.26 | D | NS | D |
| 3.10 | 130.0862 | Pipecolinic acid | M + H | 130.0863 | 0.00 | 10.58 | D | U | NS |
| 29.42 | 494.3235 | LysoPC 16:1 | M + H | 494.3241 | 1.00 | 4.32 | NS | D | D |
| 22.87 | 542.3234 | LysoPC 20:5 | M + H | 542.3241 | 1.00 | 3.09 | NS | D | NS |
| 17.33 | 548.3705 | LysoPC 20:2 | M + H | 548.3711 | 1.00 | 2.31 | D | D | NS |
| 21.65 | 550.3857 | LysoPC 20:1 | M + H | 550.3867 | 2.00 | 5.58 | D | D | NS |
| 23.13 | 468.3078 | LysoPC 14:0 | M + H | 468.3085 | 1.00 | 6.27 | D | D | D |
| 19.25 | 478.2926 | LysoPE 20:1 | M + H | 478.2928 | 0.00 | 8.72 | D | NS | NS |
| 17.58 | 181.0857 | Propylparaben | M + H | 181.0859 | 1.00 | 6.39 | D | NS | NS |
| 5.42 | 136.0756 | Acetylarylamine | M + H | 136.0757 | 0.00 | 2.59 | D | U | D |
| 18.20 | 127.0390 | Trihydroxybenzene | M + H | 127.0390 | 0.00 | 13.83 | D | U | D |
| 22.22 | 191.1428 | Damascenone | M + H | 191.1430 | 1.00 | 10.02 | U | D | NS |
| 10.70 | 181.0718 | Myoinositol | M + H | 181.0707 | 6.00 | 8.55 | D | NS | NS |
| 4.88 | 137.0457 | Hydroxypurine | M + H | 137.0458 | 1.00 | 9.74 | U | D | U |
| 3.48 | 114.0664 | Creatinine | M + H | 114.0662 | 2.00 | 7.83 | D | NS | NS |
| 3.82 | 72.0815 | Pyrrolidine | M + H | 72.0808 | 10.00 | 2.09 | U | U | NS |
| 11.71 | 195.0875 | Methyl lucopyranoside | M + H | 195.0863 | 6.00 | 12.43 | D | NS | NS |
LysoPC: Lysophosphatidyl choline; LysoPE: Lysophosphatidyl ethanolamine; U: Upregulated; D: Decreased; NS: No statistical difference.