Table 2.
Identification of serum metabolites from human subjects controlled by obesity with BSP using UPLC-MS and their fold change analysis.a
| No. | Identity | Exact mass | Actual mass | Mass error | Ms fragments | P value | VIP |
|---|---|---|---|---|---|---|---|
| (M + H) | (M + H) | (mDa) | |||||
| 1 | Aminobutyric acid | 104.0712 | 104.0723 | −1.1 | 104, 87, 58 | 0.04 | 0.66 |
| 2 | l-proline | 116.0712 | 116.0718 | −0.6 | 70 | 0.03 | 3.98 |
| 3 | Betaine | 118.0868 | 118.0878 | −1.0 | 118, 58 | 0.026 | 3.23 |
| 4 | Valine | 118.0868 | 118.0901 | −3.3 | 72 | 0.042 | 0.96 |
| 5 | Benzoic acid | 123.0434 | 123.0462 | −2.8 | 95, 79 | 0.024 | 0.49 |
| 6 | Pyroglutamic acid | 130.0504 | 130.0521 | −1.7 | 84, 72 | 0.021 | 1.81 |
| 7 | Pipecolic acid | 130.0868 | 130.0880 | −1.2 | 105, 91, 84 | 0.042 | 1.54 |
| 8 | Leucine/isoleucine | 132.1025 | 132.1034 | −0.9 | 119, 91, 86, 72, 69 | 0.048 | 2.91 |
| 9 | N-phenylacetamide | 136.0762 | 136.0777 | −1.5 | 119, 107, 91 | 0.011 | 0.30 |
| 10 | Hypoxanthine | 137.0463 | 137.0475 | −1.2 | 119, 110, 94, 82 | 0.036 | 2.29 |
| 11 | Glutamine | 147.0770 | 147.0784 | −1.4 | 130, 101, 84 | 0.028 | 1.17 |
| 12 | l-methionine | 150.0589 | 150.0602 | −1.3 | 133, 104, 87, 74, 61 | 0.039 | 1.07 |
| 13 | 2-phenylglycine | 152.0712 | 152.0719 | −0.7 | 105, 78 | 0.013 | 2.00 |
| 14 | l-carnitine | 162.1130 | 162.1140 | −1.0 | 103, 85, 60 | 0.02 | 1.77 |
| 15 | Phenylpyruvic acid | 165.0552 | 165.0565 | −1.3 | 147, 123, 119, 91.77 | 0.041 | 2.16 |
| 16 | Phenylalanine | 166.0868 | 166.0883 | −1.5 | 121, 120, 103, 93 | 0.045 | 1.58 |
| 17 | Uric acid | 169.0362 | 169.0991 | −62.9 | 169, 152, 141, 126, 70 | 0.02 | 0.49 |
| 18 | Arginine | 175.1195 | 175.1208 | −1.3 | 130, 116, 70, 60 | 0.044 | 0.70 |
| 19 | Tyrosine | 182.0817 | 182.0830 | −1.3 | 165, 136, 123, 91 | 0.01 | 2.58 |
| 20 | Tryptophan | 205.0977 | 205.0994 | −1.7 | 188, 159, 146, 118, 91 | 0.043 | 2.56 |
| 21 | Propionylcarnitine | 218.1392 | 218.1406 | −1.4 | 159, 144, 85, 60 | 0.05 | 1.35 |
| 22 | Butyrylcarnitine | 232.1549 | 232.1564 | −1.5 | 217, 173, 144, 113, 85 | 0.05 | 1.15 |
| 23 | l-hexanoylcarnitine | 260.1858 | 260.1875 | −1.7 | 232, 201, 144, 85 | 0.06 | 0.83 |
| 24 | l-aspartyl-l-phenylalanine | 281.1137 | 281.1152 | −1.5 | 235, 166, 120, 88 | 0.0002 | 1.62 |
| 25 | l-octanoylcarnitine | 288.2170 | 288.2185 | −1.5 | 229, 127, 85 | 0.014 | 2.34 |
| 26 | Palmitoylcarnitine | 400.3427 | 400.3441 | −1.4 | 341, 144, 85 | 0.034 | 0.85 |
| 27 | Linoleylcarnitine | 424.3427 | 424.3433 | −0.6 | 352, 144, 85 | 0.02 | 0.87 |
| 28 | LysoPC (14:0) | 468.3090 | 468.3092 | −0.2 | 450, 357, 285, 184, 104, 86 | 0.045 | 0.99 |
| 29 | LysoPC (P 16:0) | 480.3454 | 480.3424 | 3.0 | 339, 240, 184, 104, 86 | 0.02 | 1.80 |
| 30 | LysoPC (15:0) | 482.3247 | 482.3256 | −0.9 | 385, 299, 184, 104, 86 | 0.012 | 1.95 |
| 31 | LysoPC (16:0) | 496.3403 | 496.3407 | −0.4 | 478, 313, 258, 184, 104, 86 | 0.018 | 12.02 |
| 32 | LysoPC (17:1) | 508.3767 | 508.3429 | 33.8 | 492, 327, 258, 184, 104, 86 | 0.02 | 0.55 |
| 33 | LysoPC (18:2) | 520.3403 | 520.3379 | 2.4 | 502, 337, 258, 184, 104, 86 | 0.045 | 5.48 |
| 34 | LysoPC (18:1) | 522.3560 | 522.3513 | 4.7 | 504, 339, 258, 184, 104, 86 | 0.037 | 3.63 |
| 35 | LysoPC (18:0) | 524.3716 | 524.3672 | 4.4 | 506, 341, 258, 184, 104, 86 | 0.036 | 5.25 |
| 36 | LysoPC (20:4) | 544.3403 | 544.3400 | 0.3 | 361, 184, 104, 86 | 0.03 | 2.48 |
| 37 | LysoPC (20:1) | 550.3873 | 550.3895 | −2.2 | 532, 418, 258, 184, 104, 86 | 0.008 | 0.64 |
| 38 | LysoPC (22:0) | 572.3716 | 572.3731 | −1.5 | 554, 295, 184, 104, 86 | 0.029 | 0.58 |
aNo. was the number of metabolites marked in Figure 2(b), and fold change was calculated by dividing the mean of normalized intensities of each metabolite from 12 weeks after subjects by the mean intensity of the same metabolite from 0 week subjects. P-value was analyzed by independent t-test with the Mann-Whitney U-test. VIP is variable importance in the project and its value of above 1.00 showing high relevance for explaining the differences of sample groups.