Table 2.
MS-annotated lipids (rt_m/z) with statistically significant associations with serum TAG levels.
| rt_m/z | Coefficient TAG | Adj.P. Value | Annotation | Mass Error (ppm) | Matched Fragments | Annotation Confidence Level * |
|---|---|---|---|---|---|---|
| 2.82_720.5891 m/z | −0.01 | 0.00 | PC 32:0 | −1.43 | 537.5244 a | 2 |
| 0.70_495.3337 n | 0.01 | 0.02 | PC 16:0 | 2.49 | 184.0744 a | 2 |
| 2.33_747.5641 m/z | −0.02 | 0.00 | SM 34:1;O2 | −2.35 | 687.5428 a | 2 |
| 2.33_766.5372 m/z | 0.01 | 0.02 | PE 38:4 | −2.59 | 303.2329 b | 2 |
| 2.33_826.5580 m/z | 0.01 | 0.01 | PC 36:4 | −3.02 | 766.5370 a | 2 |
| 2.55_835.5318 m/z | 0.01 | 0.03 | PI 34:1 | −2.93 | 581.3099/241.0119 a | 2 |
| 2.56_885.5479 m/z | 0.02 | 0.00 | PI 38:4 | −2.19 | 581.3092/241.0119 a | 2 |
| 2.57_734.5702 m/z | −0.01 | 0.01 | PEth 35:1 | 1.03 | 383.3521 a | 2 |
| 2.67_801.6098 m/z | −0.01 | 0.01 | SM 38:2;O2 | −3.93 | 741.5892 a | 2 |
| 2.74_766.5376 m/z | 0.02 | 0.00 | PE 38:4 | −2.13 | 303.2329 b | 2 |
| 2.78_774.5420 m/z | −0.01 | 0.02 | PE 40:7 | −2.99 | 305.2482 b | 2 |
| 3.47_638.5728 m/z | 0.01 | 0.01 | Cer 38:1;O2 | −0.14 | 592.5703 a | 2 |
| 3.50_664.5877 m/z | 0.01 | 0.03 | Cer 40:2;O2 | −1.43 | 618.5831 a | 2 |
| 3.76_678.6035 m/z | 0.01 | 0.02 | Cer 41:2;O2 | −1.16 | 632.6000 a | 2 |
| 3.95_692.6179 m/z | 0.01 | 0.02 | Cer 42:2;O2 | −2.99 | 646.6137 a | 2 |
| 4.01_666.6029 m/z | 0.01 | 0.01 | Cer 40:1;O2 | −2.03 | 620.5986 a | 2 |
| 5.37_774.6727 n | 0.01 | 0.00 | TAG 46:2 | −1.33 | 521.4569/519.4422 a | 2 |
| 5.58_776.6897 n | 0.01 | 0.00 | TAG 46:1 | 0.34 | 523.4730/521.4577 a | 2 |
| 5.59_802.7060 n | 0.01 | 0.00 | TAG 48:2 | 1.15 | 549.4890/547.4738 a | 2 |
| 5.79_830.7374 n | 0.01 | 0.00 | TAG 50:2 | 1.23 | 577.5199/549.4895 a | 2 |
| 6.02_858.7692 n | 0.01 | 0.00 | TAG 52:2 | 1.77 | 603.5365/577.5206 a | 2 |
| 6.25_886.7993 n | 0.01 | 0.00 | TAG 54:2 | 0.44 | 631.5711/605.5506 a | 2 |
| 6.26_860.7828 n | 0.01 | 0.04 | TAG 52:1 | −0.59 | 605.5506/579.5338 a | 2 |
| 6.27_834.7655 n | 0.01 | 0.01 | TAG 50:0 | −2.59 | 579.5338 a | 2 |
Legend: * Annotation confidence level [26]. (1) Reference standard confirmed structure; (2) exact mass, isotopic pattern, retention time and MS/MS spectrum matched to an in-house spectral database or literature spectra; (3) putative ID assignment based only on elemental formula match with exact mass and isotopic pattern; and (4) unknown compound. a Annotation based on exact mass measurements of precursors and fragments using a high-resolution mass spectrometer. b Annotation requires the detection of FA-chain-specific fragments [27]. rt_m/z: feature label using retention time and mass-to-charge ratios. TAG: coefficient for TAG in the limma model; adj.P.Val: FDR-adjusted p-values; ppm: parts per million.