TABLE 1.
Retention time (min)_Adduct mass (Da/charge) | Measured neutral mass (Da) | Identification | PubChem CID | Adducts | Identification method2 | Product with the highest content | Product causing the highest postprandial response | Postprandial kinetic cluster | Product causing the highest fasting serum concentration after 2 wk of daily intake |
---|---|---|---|---|---|---|---|---|---|
1.11_219.0470 | 196.0578 | Gluconic acid | 10,690 | .+H; +Na | 1,2,4 | Milk* | Milk* | 4 | Milk* |
1.11_179.0550 | 178.0478 | Δ-Gluconolactone | 736 | .+H | 1,4 | Milk* | Milk* | 4 | Milk* |
1.16_138.0528 | 115.0636 | Proline | 145,742 | .+H; .+Na; +2Na-H; .x2+H; .x2+Na | 1,4 | Milk* | Yogurt* | 1 | Yogurt |
0.92_147.1123 | 146.1051 | Lysine | 5962 | .+H; .+Na; .+2Na-H; .+H-H2O | 1,4 | Yogurt* | Yogurt* | 2 | Yogurt |
1.06_164.0290 | 119.0578 | Threonine | 6288 | .+H; .+2Na-H; .+Na | 1,4 | Milk | Yogurt* | 2 | Yogurt |
3.43_166.0861 | 165.0789 | Phenylalanine | 6140 | .+H; .x2+H | 1,4 | Yogurt* | Yogurt* | 2 | Milk |
1.28_174.0868 | 132.0534 | Asparagine | 6267 | .+ACN+H; .+Na; .+H-H2O | 1,4 | nd | Yogurt* | 4 | Milk |
2.31_182.0807 | 181.0734 | Tyrosine | 6057 | .+H; .+Na | 1,4 | Yogurt* | Yogurt* | 2 | Milk |
4.23_205.0972 | 204.0899 | Tryptophan | 6305 | .+H; .+Na | 1,2,3,4 | Yogurt* | Yogurt | — | Milk |
1.07_198.0846 | 175.0954 | Citrulline | 9750 | .+H; .+Na; +2Na-H | 1,4 | nd | Yogurt* | 1 | Yogurt |
1.07_126.0214 | 125.0142 | Taurine | 1123 | .+H; +2Na-H; .+Na; .+H-H2O | 1,4 | Yogurt | Milk* | 4 | Milk |
6.04_206.0807 | 205.0735 | Indole-3-lactic acid | 92,904 | .+H; .+Na | 1,2,3,4 | Yogurt* | Yogurt* | 1 | Yogurt |
6.04_160.0753 | 159.0680 | Indole-3-acetaldehyde | 800 | .+H | 1,2 | Yogurt* | Yogurt* | 1 | Yogurt |
6.67_176.0701 | 175.0629 | Indole-3-acetic acid | 802 | .+H; .+Na | 1,2,3,4 | nd | Milk* | 5 | Milk |
7.26_190.0858 | 189.0785 | 3-Indole propionic acid | 3744 | .+H; .+Na; .+H+H2O | 1,2,4 | nd | Milk* | 4 | Milk* |
9.91_375.2887 | 374.2814 | 3b-Hydroxy-5-cholenoic acid | 92,997 | .+H; .+H-H2O; .+H-2H2O | 1,2,3,4 | nd | Milk* | 5 | Yogurt |
10.10_434.3256 | 392.2920 | (cheno)Deoxycholic acid | 222,528 | .+H; .+Na; .+NH4; .+H-H2O; .+H-2H2O; .x2+H | 1,2,3,4 | nd | Milk* | 5 | Yogurt |
8.46_450.3205 | 449.3132 | Glycoursodeoxycholic acid | 12,310,288 | .+H; .+NH4; .+Na; .x2+H; .x2+Na; .x2+NH4; .+H-H2O; .+H-2H2O | 1,2 | nd | Milk* | 5 | Milk |
7.40_483.3415 | 465.3077 | Glycocholic acid | 10,140 | .+H; .+NH4; .+Na; .+H-H2O; .+H-2H2O | 1,2,4 | nd | Milk* | 5 | Yogurt |
9.51_500.3028 | 499.2956 | Tauroursodeoxycholic acid | 9,848,818 | .+H; .+H-H2O; .+H-2H2O | 1,2,3,4 | nd | Milk* | 5 | Milk |
1*OPLS-DA VIPtot score > 1 or P < 0.05. CID, compound identifier; nd, not detected; OPLS-DA, orthogonal projections to latent structures discriminant analysis; VIPtot, variable importance in projection for the predictive and orthogonal components.
2Identification methods: 1, mass database; 2, theoretical fragmentation; 3, fragment database; 4, standard injection.