Table 2. Discriminating serum metabolites.
| RT (min) | MZ (Th) | Identification (shortname)# | VIP (PLS-DA) | FC CHB1vsCon | Ttest CHB1vsCon | FC CHB1vsCHB2 | Ttest CHB1vsCHB2 |
|---|---|---|---|---|---|---|---|
| 7.53 | 297.1674 | 3-Hydroxytetradecanedioic acid (3HTDEA) | 8.26 | 0.42 | 1.15E-09 | 1.54 | >0.05 |
| 8.09 | 274.2736 | C16 Sphinganine | 4.12 | 1.38 | 0.034789 | 1.30 | >0.05 |
| 8.39 | 325.1977 | 9-hydroxy-hexadecan-1,16-dioic acid (9HHDDA) | 3.46 | 0.54 | 0.000274 | 1.75 | >0.05 |
| 8.46 | 437.1942 | Unknown compound 1 | 10.68 | 0.87 | >0.05 | 1.51 | 0.0014 |
| 9.04 | 525.3042 | Unknown compound 2 | 5.13 | 0.53 | 0.000338 | 1.80 | >0.05 |
| 9.47 | 553.3356 | Lithocholate 3-O-glucuronide (LCA-3-O-GCN) | 6.52 | 0.50 | 4.56E-05 | 1.57 | >0.05 |
| 10.08 | 639.4106 | Unknown compound 3 | 7.04 | 0.54 | 0.000191 | 1.39 | >0.05 |
| 10.66 | 520.3403 | LysoPC (18:2)_C26H50NO7P_1* (LysoPC_1) | 2.48 | 1.09 | >0.05 | 0.69 | 0.0004 |
| 10.87 | 566.3216 | PC (0:0/20:4)_C28H50NO7P (PC_1) | 2.45 | 0.95 | >0.05 | 0.82 | 0.0056 |
| 10.93 | 520.3408 | LysoPC (18:2)_C26H50NO7P_2* (LysoPC_2) | 6.06 | 1.32 | 3.88E-06 | 0.85 | 0.0065 |
| 11.14 | 496.3404 | PC (0:0/16:0)_C24H50NO7P (PC_2) | 3.63 | 0.96 | >0.05 | 0.85 | 0.0063 |
| 11.35 | 659.2885 | Unknown compound 4 | 4.34 | 1.48 | 1E-05 | 1.14 | >0.05 |
| 11.44 | 991.6747 | N-acetylneuraminyl-Galactosylceramide (GM4) | 11.08 | 0.85 | 0.016832 | 0.73 | 0.0002 |
| 11.46 | 496.3405 | PC (16:0/0:0)_C24H50NO7P (PC_3) | 7.57 | 1.16 | 3.01E-05 | 0.91 | 0.0178 |
| 11.46 | 497.3427 | 2-Palmitoylglycerophosphocholine (2PGPC) | 5.47 | 1.08 | >0.05 | 0.68 | 9E-05 |
| 11.74 | 544.3385 | LysoPC (20:4)_C28H50NO7P (LysoPC_3) | 3.62 | 1.12 | 0.001982 | 0.91 | 0.0342 |
| 11.88 | 256.2642 | Palmitic amide | 7.43 | 0.19 | 3.18E-22 | 3.55 | 0.0281 |
| 12.21 | 282.2796 | Oleamide | 9.29 | 0.24 | 3.8E-14 | 4.64 | 0.0258 |
| 12.77 | 524.3715 | LysoPC (18:0)_C26H54NO7P (LysoPC_4) | 6.00 | 1.14 | 0.00194 | 0.93 | >0.05 |
| 12.83 | 805.5167 | PI (P-16:0/17:2)_C42H77O12P (PI) | 2.90 | 0.04 | 2.97E-14 | 0.02 | 4E-11 |
| 15.25 | 796.5467 | PS (P-18:0/20:4)_C44H78NO9P (PS) | 4.04 | 4.95 | 5.96E-06 | 0.59 | 0.025 |
| 17.04 | 828.5525 | PC (22:5/18:4)_C48H78NO8P (PC_4) | 3.23 | 1.73 | 0.004687 | 1.85 | 0.001 |
| 17.47 | 808.5877 | PC (20:4/18:1)_C46H82NO8P (PC_5) | 3.15 | 1.40 | 3.88E-07 | 1.43 | 1E-06 |
| 17.52 | 778.0394 | Unknown compound 5 | 2.77 | 0.32 | 4.57E-06 | 0.19 | 1E-10 |
| 18.03 | 760.5857 | PC (19:1/15:0)_C42H82NO8P (PC_6) | 4.81 | 1.45 | 3.78E-11 | 1.18 | 0.005 |
| 18.27 | 786.6019 | PC (18:1/18:1)_C44H84NO8P (PC_7) | 5.92 | 1.49 | 1.02E-16 | 1.17 | 0.0016 |
LysoPC, lysophosphatidylcholine; PC, phosphatidylcholine; PI, phosphatidylinositol; PS, phosphatidylserine.
*These two PC isoforms share exact the same m/z and chemical formula, but were eluted at different RT.