Table 2.
No.1) | Identity | Actual mass (M+H) | Exact mass (M+H) | Mass error (mDa) | Mass fragments | p-valueb) | VIP3) | |
---|---|---|---|---|---|---|---|---|
| ||||||||
Serum | 1 | Nicotinamide | 123.0569 | 123.0558 | 1.1 | 106, 96, 80 | 1.01E-06 | 1.03 |
2 | Isoleucine | 132.1032 | 132.1025 | 0.7 | 86 | 0.0493 | 1.65 | |
3 | Uric acid | 169.0374 | 169.0350 | 2.4 | 152, 141, 126, 98 | 0.0307 | 1.10 | |
4 | Sphingosine | 300.2909 | 300.2903 | 0.1 | 282, 252 | 0.0207 | 1.87 | |
5 | Corticosterone | 347.2229 | 347.2222 | 0.7 | 329, 121, 97 | 0.0431 | 0.61 | |
6 | Tetradecanoylcarnitine | 372.3093 | 372.3114 | -2.1 | 313, 211, 144, 85 | 0.0003 | 0.70 | |
7 | Linolenylcarnitine | 424.3431 | 424.3427 | 0.4 | 343, 245, 144, 85 | 0.0070 | 0.63 | |
8 | Vaccenylcarnitine | 426.3581 | 426.3583 | -0.2 | 367, 309, 144, 85 | 0.0355 | 0.77 | |
9 | lysoPC (C15:0) | 482.3246 | 482.3232 | 1.4 | 464, 184, 104, 86 | 0.0164 | 0.96 | |
10 | lysoPC (C18:1) | 506.3618 | 506.3550 | 6.8 | 488, 184, 104, 86 | 0.0025 | 0.66 | |
11 | lysoPC (C18:3) | 518.3245 | 518.3247 | -0.2 | 500, 184, 104, 86 | 0.0023 | 1.46 | |
12 | lysoPC (C20:5) | 542.3212 | 542.3232 | -2.0 | 524, 184, 104, 86 | 0.0319 | 2.77 | |
Liver | 1 | Cytidine | 244.0947 | 244.0933 | 1.4 | 112 | 0.0116 | 0.80 |
2 | lysoPc (C15:0) | 482.3586 | 482.3232 | 35.4 | 464, 184, 104, 86 | 0.0500 | 0.62 | |
3 | lysoPc (C17:1) | 508.3769 | 508.3457 | 31.2 | 490, 184, 104, 86 | 0.0506 | 0.78 | |
4 | lysoPc (C18:0) | 524.3701 | 524.3716 | -1.5 | 506, 184, 104, 86 | 0.03362 | 2.94 |
M, mass; VIP, variable importance in the projection; lysoPC, lysophosphatidylcholine.
1) The number of metabolites marked in Fig. 2
2)p-value was obtained from t-test.
3)Its value of above 1.0 showing high relevance for explaining the differences of sample groups.