TABLE 1.
MS/MS Verified Metabolites in Murine Serum and Urine
| Validated metabolite | FDR-corrected
P value |
|||||||
|---|---|---|---|---|---|---|---|---|
| Day 1 | Day 7 | m/z observed | m/z expected | ppm error | Retention time | Adduct | ||
| Serum | ||||||||
| 1 | 2-Hydroxybutyric acid | NS | 0.04 | 103.0396 | 103.0401 | 4.85 | 0.48 | [M − H] − |
| 2 | Azelaic acid (nonanedioic acid) | NS | 0.03 | 187.0965 | 187.0976 | 5.88 | 4.22 | [M − H] − |
| 3 | Docosahexaenoic acid | NS | 0.03 | 327.2326 | 327.233 | 1.22 | 8.2 | [M − H] − |
| 4 | Taurine | NS | 0.004 | 124.0065 | 124.0074 | 7.26 | 0.32 | [M − H] − |
| 5 | Acetylcarnitine | 0.04 | NS | 204.1237 | 204.123 | 3.43 | 0.33 | [M + H]+ |
| 6 | L-carnitine | 0.05 | NS | 162.1131 | 162.1125 | 3.70 | 0.33 | |
| 7 | Creatine | 0.001 | 0.004 | 132.0772 | 132.0768 | 3.03 | 0.32 | [M + H]+ |
| 8 | Eicosapentaenoic | NS | 0.04 | 303.2326 | 303.2319 | 2.31 | 8.04 | [M + H]+ |
| 9 | acid Glucose | 0.05 | 0.03 | 203.0533 | 203.0526 | 3.45 | 0.3 | [M + H]+ |
| 10 | Guanosine | 0.05 | NS | 306.0814 | 306.0809 | 1.63 | 0.38 | [M+Na]+ |
| 11 | Linoleylcarnitine | NS | 0.004 | 424.3424 | 424.3421 | 0.71 | 7.13 | [M + H]+ |
| 12 | Oleoylcarnitine | NS | 0.03 | 426.3579 | 426.3579 | 0.00 | 7.35 | [M + H]+ |
| 13 | Palmitoylcarnitine | NS | 0.004 | 400.3422 | 400.3421 | 0.25 | 7.27 | [M + H]+ |
| 14 | L-Phenylalanine | NS | 0.00 | 166.08473 | 166.0863 | 9.45 | 0.3 | [M + H]+ |
| 15 | Phytosphingosine | 1.46E–06 | 0.02 | 318.3006 | 318.3003 | 0.94 | 6.74 | [M + H]+ |
| 16 | Tetradecanoylcarnitine | NS | 0.01 | 372.3114 | 372.3108 | 1.61 | 6.91 | [M + H]+ |
| 17 | L-valine | NS | 0.04 | 140.0688 | 140.0682 | 4.28 | 0.3 | [M+Na]+ |
| 18 | Xanthine | 0.02 | 0.002 | 153.0415 | 153.0407 | 5.23 | 0.38 | [M + H]+ |
| Urine | ||||||||
| 1 | 4-Pyridoxic acid | NS | 0.0003 | 182.045 | 182.0459 | 0.67 | 0.45 | [M − H] − |
| 2 | cis-Aconitic acid | NS | 0.01 | 173.0082 | 173.0092 | 0.62 | 0.38 | [M − H] − |
| 3 | Erythronic acid | NS | 0.002 | 135.029 | 135.0299 | 0.57 | 0.33 | [M − H] − |
| 4 | L-glutamic acid | 0.02 | NS | 146.045 | 146.0459 | 0.59 | 0.35 | [M − H] − |
| 5 | L-lysine | 0.04 | NS | 145.0973 | 145.0983 | 0.55 | 0.3 | [M − H] − |
| 6 | Uridine | NS | 0.0005 | 243.0612 | 243.0623 | 0.57 | 0.33 | [M − H] − |
| 7 | Xanthosine | NS | 0.03 | 283.0675 | 283.0684 | 0.69 | 0.47 | [M − H] − |
| 8 | L-pipecolic acid | 0.01 | 0.01 | 130.0869 | 130.0863 | 4.61 | 0.35 | [M + H]+ |
| 9 | Nicotinic acid | 7.64E–06 | NS | 124.04 | 124.0393 | 5.64 | 0.74 | [M + H]+ |
| 10 | Pantothenic acid | 0.002 | 0.01 | 220.1186 | 220.1179 | 3.18 | 0.74 | [M + H]+ |
| 11 | Pyridoxal (vitamin B6) | 0.02 | 0.01 | 168.0643 | 168.0655 | 7.14 | 0.66 | [M + H]+ |
| 12 | Thymidine | NS | 0.01 | 265.0814 | 265.0795 | 7.17 | 0.55 | [M+Na]+ |
| 13 | Thymine | NS | 0.003 | 127.0508 | 127.0502 | 4.72 | 0.35 | [M + H]+ |
NS = not significant.