Table 1.
Number | Mass | Metabolite | i-FITa, elemental composition | Molecular weight | Formula | Trendb | Related pathway |
---|---|---|---|---|---|---|---|
1 | 284.2934 | Octadecanamide | 0.9, C18H38NO | 283.4925 | C18H37NO | ↑** | Fatty acid metabolism |
2 | 282.2779 | Oleamide | 1.2, C18H36NO | 281.2718 | C18H35NO | ↑** | Fatty acid metabolism |
3 | 188.0713 | Tryptophan | 0.9, C11H10N1O2 | 204.2252 | C11H12N2O2 | ↑** | Amino acid metabolism |
4 | 193.1235 | Citric acid | 0.7, C6H9O7 | 192.1243 | C6H8O7 | ↓** | TCA cycle |
5 | 330.0618 | Adenosine 2′,3′-cyclic phosphate | 1.0, C10H13N5O6P | 329.2059 | C10H12N5O6P | ↓** | Purine metabolism |
6 | 393.3002 | Ursodeoxycholic acid | 0.8, C24H41O4 | 392.5720 | C24H40O4 | ↑** | Bile acid metabolism |
7 | 114.0641 | Creatinine | 1.2, C4H8N3O | 113.1179 | C4H7N3O | ↑** | Energy metabolism |
8 | 281.0979 | Ascorbalamic acid | 0.9, C9H17N2O8 | 263.2014 | C9H13NO8 | ↑** | Carbohydrate metabolism |
9 | 259.0913 | 3-Methyluridine | 1.2, C10H15N2O6 | 258.228 | C10H14N2O6 | ↑** | Nucleoside metabolism |
10 | 212.1025 | 3-O-Methyldopa | 1.7, C10H14NO4 | 211.2145 | C10H13NO4 | ↓** | Amino acid metabolism |
11 | 162.1108 | Proline | 0.7, C7H13O3 | 115.1305 | C7H12O3 | ↓** | Amino acid metabolism |
12 | 282.1216 | 1-Methyladenosine | 1.2, C11H16N5O4 | 281.2679 | C11H15N5O4 | ↓** | Nucleoside metabolism |
13 | 162.0538 | Indole-3-carboxylic acid | 0.8, C9H8NO2 | 161.1574 | C9H7NO2 | ↑** | Amino acid metabolism |
14 | 368.1594 | Tryptophyl-tyrosine | 1.2, C20H22N3O4 | 367.3984 | C20H21N3O4 | ↑** | Amino acid metabolism |
15 | 166.0708 | Phenylalanine | 0.9, C9H12NO2 | 165.1891 | C9H11NO2 | ↓** | Amino acid metabolism |
16 | 126.0643 | 5-Methylcytosine | 1.3, C5H8N3O | 125.1286 | C5H7N3O | ↓** | Nucleoside metabolism |
ai-FIT; the i-FIT is the correctness of isotope patterns of elemental composition. The lower i-FIT normalized values mean high precision of the elemental composition; bchange trend of hyperlipidemia rats versus control rats. The potential biomarkers were labeled with (↓) downregulated and (↑) upregulated. *P < 0.05 and **P < 0.01.