Table 4.
Associations Between Metabolomic Response to Meal Challenge and CMD Status
| Featurea | Monoisotopic mass | Adduct | Adjusted association with interaction term (meal challenge × any CMDs)b | Technical column | |||||
|---|---|---|---|---|---|---|---|---|---|
| β | SE | P | |||||||
| M/Z | RT | Annotation(s) | HMDB | ||||||
| 671.4670 | 275 | PA (34:2) | HMDB07860 | 672.4730 | M-H | 0.54 | 0.23 | 0.02 | C18 |
| 834.5970 | 27 | PC (38:3) c | HMDB08020 c | 811.6091 c | M+Na c | -0.10 | 0.04 | 0.01 | HILIC |
| 246.1697 | 28 | Isovalerylcarnitine, valerylcarnitine | HMDB00688, HMDB13128 | 245.1627 | M+H | -0.19 | 0.06 | <0.01 | HILIC |
| 343.2669 | 23 | Trans-2-dodecenoylcarnitine | HMDB13326 | --- | M+H [+1] | 0.60 | 0.29 | 0.03 | HILIC |
| 364.1367 | 60 | Histidinyl-tryptophan, tryptophyl-histidine | HMDB28896, HMDB29085 | 341.1488 | M+Na | 1.80 | 0.79 | 0.02 | HILIC |
| 386.1198 | 57 | Histidinyl-tryptophan, tryptophyl-histidine | HMDB28896, HMDB29085 | 341.1488 | M+2Na-H | 0.86 | 0.40 | 0.03 | HILIC |
| 159.0652 | 282 | Succinylacetone | HMDB00635 | 158.0579 | M+H | -0.19 | 0.09 | 0.04 | HILIC |
| 292.2369 | 232 | 3b,17b-dihydroxyetiocholane | HMDB00369 | --- | M-H [-1] | 0.73 | 0.35 | 0.04 | C18 |
| 450.3143 | 26 | Chenodeoxycholic acid glycine conjugate, glycoursodeoxycholic acid | HMDB00637, HMDB00708 | --- | M-H [+2] | -0.87 | 0.42 | 0.04 | C18 |
| 144.0454 | 240 | 1H-indole-3-carboxaldehyde | HMDB29737 | 145.0528 | M-H | 0.72 | 0.27 | 0.01 | C18 |
Abbreviations: CMD, cardiometabolic disease; HILIC, hydrophilic interaction liquid chromatography; LC-FT-MS, liquid chromatography–Fourier transform mass spectrometry; m/z, mass-to-charge ratio; OPLS-DA, orthogonal partial least squares–discriminant analysis; PA, phosphatidic acid; PC, phosphatidylcholine; RT, retention time.
a In this table, features were selected in Stage 2B regressions among all participants (n = 349), based on associations with interaction terms between any CMDs and meal challenge (P < 0.05). Among annotated features, those with energy, macronutrient metabolism, excretory or bile acids, and microbiome-derived metabolites included in this table.
b For each feature peak area, a linear model with repeated measurements was utilized (Proc Mixed in SAS; Stage 2B regressions). The model equation was: Y (log2-normalized feature peak area)i,j,t = β 0i,j,t + β 1X1 (timepoint [postprandial, baseline]) i,j,t + β 2X2 (any CMDs)i + β 3X3 (age at study visit)i + β 4X4 (sex)i, + β 5X5 (any CMDs*timepoint)i where each study participant was denoted as i, feature was j, and timepoint was t. In this table, the beta-coefficient, SE, and P value of the interaction term in each regression were included.
c Details regarding other phosphatidylcholines in Supplemental Table 3 [14].