Table 2 Significantly differential metabolites in urine of BDE-3 treated mice.
NO. | M/Z | Ion | VIP | HMDB | Metabolite | Formula | aFC(A) | FC(B) | FC(C) | FC(D) | Pathway | |||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
0.0015 | 1.5 | 10 | 30 | |||||||||||
1 | 128.036 | [M−H]− | 0.77 | 0.60 | 1.42 | 0.89 | HMDB0000267 | Pyroglutamic acid | C5H7NO3 | — | — | 2.24† | — | Glutathione metabolism |
2 | 129.021 | [M−H]− | 1.29 | 2.33 | 2.24 | 3.81 | — | Acetylpyruvate | C5H6O4 | — | — | — | 0.62* | |
3 | 130.052 | [M−H]− | 0.59 | 0.23 | 1.30 | 0.22 | HMDB0002113 | 3-Hydroxy-L-proline | C5H9NO3 | — | — | — | 0.78* | |
4 | 132.077 | [M+H]+ | 0.96 | 0.96 | 3.79 | 2.62 | HMDB0000064 | Creatine | C4H9N3O2 | — | 0.33* | — | — | Arginine and proline metabolism |
5 | 132.101 | [M+H]+ | 2.22 | 2.22 | 2.09 | 1.45 | HMDB0000687 | L-Leucine | C6H13NO2 | 0.79* | 0.73* | — | — | Valine, leucine and isoleucine degradation |
6 | 136.039 | [M+H]+ | 1.99 | 1.99 | 1.28 | 1.32 | HMDB0000742 | L-Homocysteine | C4H9NO2S | 1.88† | 2.24† | — | — | Biosynthesis of amino acids |
7 | 137.071 | [M+Na]+ | 0.31 | 0.31 | 1.60 | 1.28 | — | L-Prolinamide | C5H10N2O | — | 2.08* | — | — | |
8 | 139.051 | [M+H]+ | 1.07 | 1.07 | 1.71 | 1.77 | HMDB0002730 | Nicotinamide N-oxide | C6H6N2O2 | — | — | 1.73† | — | |
9 | 145.016 | [M+FA−H]− | 0.40 | 1.21 | 0.69 | 2.32 | HMDB0032523 | Succinic anhydride | C4H4O3 | 0.78* | — | — | — | |
10 | 162.079 | [M+H]+ | 1.11 | 1.11 | 2.65 | 1.74 | — | Alanopine | C6H11NO4 | 0.68‡ | 0.51‡ | — | — | |
11 | 170.043 | [M+Na]+ | 0.94 | 0.94 | 0.96 | 0.59 | — | L-Glutamate | C5H9NO4 | 1.61* | 1.83† | — | — | D-Glutamine and D-glutamate metabolism |
12 | 171.067 | [M+Na]+ | 1.19 | 1.19 | 1.03 | 0.59 | HMDB0000227 | Mevalonic acid | C6H12O4 | — | — | — | 1.35* | Pantothenate and CoA biosynthesis |
13 | 176.039 | [M−H]− | 1.32 | 0.99 | 2.39 | 1.54 | HMDB0001015 | N-Formylmethionine | C6H11NO3S | — | — | 1.61* | — | Cysteine and methionine metabolism |
14 | 189.098 | [M−H]− | 1.45 | 1.43 | 0.26 | 0.38 | — | beta-Hydroxyarginine | C6H14N4O3 | — | — | — | 0.65* | Arginine and proline metabolism |
15 | 190.107 | [M+H]+ | 0.94 | 0.94 | 0.48 | 0.70 | — | Alexine | C8H15NO4 | — | — | 1.72* | 1.89† | |
16 | 204.069 | [M+Na]+ | 1.57 | 1.57 | 0.89 | 0.65 | HMDB0000158 | L-Tyrosine | C9H11NO3 | — | 0.51* | — | — | Tyrosine metabolism |
17 | 206.044 | [M+H]+ | 3.33 | 3.33 | 5.59 | 4.68 | HMDB0000881 | Xanthurenic acid | C10H7NO4 | — | — | 0.15* | — | Tryptophan metabolism |
18 | 226.143 | [M+H]+ | 1.23 | 1.23 | 1.62 | 0.80 | — | Prenalterol | C12H19NO3 | — | — | — | 1.45* | |
19 | 232.117 | [M+H]+ | 1.68 | 1.68 | 2.86 | 3.68 | HMDB0000953 | Suberylglycine | C10H17NO5 | — | — | — | 1.29* | |
20 | 238.022 | [M+FA−H]− | 0.54 | 0.56 | 1.29 | 1.68 | HMDB0041624 | Phosphocreatinine | C4H8N3O4P | — | — | 1.37* | 1.45* | |
21 | 241.093 | [M+Na]+ | 0.73 | 0.73 | 0.99 | 1.19 | HMDB0001238 | N-Acetylserotonin | C12H14N2O2 | — | — | 1.81‡ | — | Tryptophan metabolism |
22 | 245.011 | [M−H]− | 2.68 | 1.28 | 0.86 | 4.32 | — | Phosphatidyl glycerol | C6H15O8P | — | — | 2.97‡ | 3.45† | Glycerophospholipid metabolism |
23 | 245.095 | [M+H]+ | 0.44 | 0.44 | 0.88 | 1.89 | HMDB0000030 | D-Biotin | C10H16N2O3S | 0.66* | — | — | — | Biotin metabolism |
24 | 248.113 | [M+H]+ | 1.60 | 1.60 | 2.00 | 1.89 | HMDB0002095 | Malonylcarnitine | C10H17NO6 | — | — | 1.38* | 1.39* | |
25 | 258.104 | [M+H]+ | 1.18 | 1.18 | 0.67 | 0.60 | HMDB0000982 | 5-Methylcytidine | C10H15N3O5 | — | — | 1.34* | — | |
26 | 268.104 | [M+H]+ | 2.81 | 2.81 | 2.53 | 0.57 | HMDB0000050 | Adenosine | C10H13N5O4 | — | — | 1.30* | — | Purine metabolism |
27 | 274.11 | [M+H]+ | 0.32 | 0.32 | 0.33 | 0.71 | HMDB0000667 | L-Thyronine | C15H15NO4 | — | 0.42† | — | — | |
28 | 283.114 | [M+H]+ | 0.23 | 0.23 | 1.03 | 1.14 | — | 2-Aminoadenosine | C10H14N6O4 | — | — | 1.28* | — | |
29 | 319.184 | [M+H]+ | 1.07 | 1.07 | 1.46 | 1.28 | HMDB0006709 | Ubiquinone (Q2) | C19H26O4 | — | — | 1.76* | — | Oxidative phosphorylation |
30 | 321.044 | [M−H]− | 4.12 | 3.84 | 1.42 | 1.64 | — | dTMP | C10H15N2O8P | 1.33* | 1.36* | — | — | Pyrimidine metabolism |
31 | 348.088 | [M−H]− | 1.13 | 1.09 | 0.16 | 0.91 | HMDB0060507 | S-(Formylmethyl)glutathione | C12H19N3O7S | — | 1.59† | 1.80† | 1.91† | Metabolism of xenobiotics by cytochrome P450 |
32 | 375.131 | [M−H]− | 1.18 | 1.30 | 0.56 | 0.69 | HMDB0000244 | Riboflavin (Vitamin B2) | C17H20N4O6 | — | — | — | 0.54* | Riboflavin metabolism |
33 | 377.145 | [M−H]− | 1.32 | 1.36 | 0.82 | 0.84 | HMDB0001577 | Reduced riboflavin | C17H22N4O6 | 0.87* | — | 0.84* | — | Riboflavin metabolism |
34 | 397.235 | [M+FA-H]- | 2.84 | 2.52 | 0.42 | 0.90 | HMDB0001220 | PGE2 | C20H32O5 | — | — | 0.63* | — | Arachidonic acid metabolism |
35 | 482.361 | [M+H]+ | 0.11 | 0.11 | 1.21 | 0.91 | — | Lyso-PAF C-16 | C24H52NO6P | — | — | 0.68* | — | Ether lipid metabolism |
36 | 496.34 | [M+H]+ | 1.22 | 1.22 | 2.04 | 0.97 | HMDB0010382 | LysoPC(16:0) | C24H50NO7P | — | — | — | 1.20* | Glycerophospholipid metabolism |
37 | 569.333 | [M+FA-H]- | 0.91 | 1.82 | 0.68 | 0.43 | — | PG(P-20:0/0:0) | C26H53O8P | — | 0.75* | 0.58‡ | 0.72† | |
38 | 605.309 | [M+FA-H]- | 0.62 | 1.44 | 0.48 | 0.32 | — | PG(22:4/0:0) | C28H49O9P | 0.80* | 0.61† | 0.77* | — | |
