Data for ST001827
| Metabolite structure | All data | F1 | F2 | F3 | F4 | F5 | F6 | F7 | F8 | F9 | F10 | F11 | F12 | F13 | F14 | F15 | F16 | F17 | F18 | F19 | F20 | F21 | F22 | F23 | F24 | F25 | F26 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 10-heptadecenoate (17:1n7) | - | 0.36 | 1.85 | 0.95 | - | 1.09 | 0.93 | 0.57 | - | - | - | - | - | - | - | 0.08 | 0.09 | 0.05 | - | 0.26 | 0.12 | 0.38 | 0.11 | 0.58 | 0.03 | 1.33 | |
| 10-nonadecenoate (19:1n9) | - | 0.40 | 1.80 | 1.08 | - | 0.92 | 0.86 | 0.45 | 0.04 | - | - | - | 0.07 | - | - | 0.20 | 0.11 | 0.05 | 0.02 | 0.31 | - | 0.26 | - | 0.44 | - | 1.04 | |
| 10-undecenoate (11:1n1) | 0.76 | 0.80 | 1.16 | 0.40 | - | 0.53 | 0.58 | 0.06 | 0.20 | 0.18 | - | - | 0.34 | - | - | - | - | 0.27 | - | 0.01 | - | 0.16 | - | 0.22 | 0.15 | - | |
| 11beta-hydroxyandrosterone glucuronide | 1.45 | 0.87 | 0.32 | - | - | 0.15 | - | 1.04 | 0.07 | - | 0.31 | 0.12 | 0.25 | 0.25 | - | 0.00 | 0.15 | - | - | - | - | - | - | - | - | 0.22 | |
| 1-(1-enyl-oleoyl)-GPE (P-18:1)* | 0.01 | 0.54 | 0.42 | 1.24 | 0.14 | - | 2.06 | 0.90 | - | 0.61 | 0.33 | 0.37 | - | 0.24 | 0.12 | - | - | - | - | - | - | - | - | - | 0.08 | 0.29 | |
| 1-(1-enyl-palmitoyl)-2-arachidonoyl-GPC (P-16:0/20:4)* | 0.01 | 0.52 | 1.14 | 1.95 | - | 0.49 | 0.84 | 0.80 | - | 0.33 | 0.56 | 0.23 | 0.14 | 0.13 | 0.28 | - | - | 0.09 | - | - | - | - | - | - | - | - | |
| 1-(1-enyl-palmitoyl)-2-arachidonoyl-GPE (P-16:0/20:4)* | - | 1.41 | 0.27 | 1.24 | - | 0.73 | - | 0.15 | - | 0.22 | 0.36 | 0.16 | - | - | 0.46 | - | - | - | - | - | - | - | - | 0.11 | 0.07 | - | |
| 1-(1-enyl-palmitoyl)-2-linoleoyl-GPC (P-16:0/18:2)* | 1.37 | 0.38 | 1.44 | 1.56 | 0.06 | 0.16 | 0.64 | - | - | 0.50 | 0.34 | 0.25 | 0.08 | 0.02 | 0.43 | - | - | - | - | 0.01 | - | - | - | 0.17 | 0.55 | - | |
| 1-(1-enyl-palmitoyl)-2-linoleoyl-GPE (P-16:0/18:2)* | 0.41 | 1.53 | 1.03 | 1.50 | - | - | - | - | - | - | 0.07 | 0.21 | - | - | 0.62 | - | - | - | - | 0.15 | - | - | - | 0.11 | 0.35 | - | |
| 1-(1-enyl-palmitoyl)-2-oleoyl-GPC (P-16:0/18:1)* | 0.62 | - | 1.29 | 0.88 | 0.90 | 0.13 | 0.63 | 0.03 | - | 0.70 | 0.54 | 0.30 | 0.30 | 0.16 | 0.35 | - | - | - | - | - | - | - | - | - | 0.15 | - | |
| 1-(1-enyl-palmitoyl)-2-oleoyl-GPE (P-16:0/18:1)* | - | 2.16 | 0.94 | 2.08 | - | 0.16 | 0.61 | - | - | 0.29 | 0.24 | 0.31 | - | - | 0.53 | - | - | - | - | - | - | - | - | 0.14 | 0.47 | - | |
| 1-(1-enyl-palmitoyl)-2-palmitoleoyl-GPC (P-16:0/16:1)* | 1.46 | - | 1.04 | 1.21 | 0.92 | 0.41 | 0.60 | 0.55 | 0.05 | 0.51 | 0.32 | 0.34 | 0.18 | 0.31 | 0.23 | - | - | 0.08 | - | - | - | - | - | - | - | - | |
| 1-(1-enyl-palmitoyl)-2-palmitoyl-GPC (P-16:0/16:0)* | 0.24 | - | 0.86 | 1.13 | - | - | 0.13 | 0.35 | - | 0.24 | 0.32 | 0.31 | 0.31 | 0.08 | 0.36 | - | - | - | - | 0.05 | - | 0.04 | - | - | - | - | |
| 1-(1-enyl-palmitoyl)-GPC (P-16:0)* | 0.60 | - | 0.23 | 0.92 | - | - | 2.65 | 1.06 | - | 0.62 | 0.41 | 0.33 | 0.05 | 0.35 | 0.13 | - | - | 0.06 | - | - | - | - | - | 0.08 | - | 0.24 | |
| 1-(1-enyl-palmitoyl)-GPE (P-16:0)* | 0.36 | 1.21 | 0.12 | 0.95 | - | 0.08 | 2.36 | 0.77 | - | 0.52 | 0.37 | 0.33 | - | 0.28 | 0.01 | - | - | - | - | - | - | - | - | - | 0.03 | 0.44 | |
| 1-(1-enyl-stearoyl)-2-arachidonoyl-GPE (P-18:0/20:4)* | - | 0.71 | 1.47 | 1.90 | - | 0.32 | 0.10 | 0.51 | - | 0.35 | 0.55 | 0.11 | 0.06 | 0.04 | 0.32 | - | - | - | - | - | - | - | - | 0.02 | 0.09 | - | |
| 1-(1-enyl-stearoyl)-2-linoleoyl-GPE (P-18:0/18:2)* | - | 1.18 | 1.53 | 1.31 | - | - | - | - | - | 0.13 | 0.11 | 0.18 | - | - | 0.56 | - | - | - | - | 0.11 | - | - | 0.02 | 0.18 | 0.58 | - | |
| 1-(1-enyl-stearoyl)-2-oleoyl-GPE (P-18:0/18:1) | - | 1.06 | 0.85 | 1.38 | 0.06 | - | 0.50 | 0.04 | - | 0.28 | 0.28 | 0.18 | - | - | 0.37 | - | - | - | - | - | - | - | - | 0.31 | 0.56 | - | |
| 1-(1-enyl-stearoyl)-GPE (P-18:0)* | - | 0.30 | - | 1.30 | - | - | 1.97 | 0.76 | - | 0.63 | 0.42 | 0.29 | - | 0.39 | 0.15 | - | - | - | - | - | - | - | - | 0.00 | - | 0.09 | |
| 12,13-DiHOME | - | 0.22 | 1.53 | - | 1.34 | 0.40 | 0.25 | 1.07 | - | - | - | 0.11 | - | 0.00 | 0.34 | 0.25 | 0.09 | 0.12 | 0.26 | - | 0.37 | 0.15 | 0.13 | 0.11 | - | 0.44 | |
| 1,2-dilinoleoyl-GPC (18:2/18:2) | - | 0.37 | 0.70 | 0.37 | 1.19 | - | - | - | 0.07 | 0.34 | 0.10 | 0.25 | 0.16 | - | 0.51 | - | - | - | 0.08 | 0.08 | - | - | - | - | 0.31 | - | |
| 1,2-dilinoleoyl-GPE (18:2/18:2)* | - | - | - | - | 1.87 | 0.10 | - | - | - | - | - | 0.07 | 0.06 | - | 0.31 | 0.12 | 0.08 | 0.03 | 0.42 | 0.09 | 0.16 | 0.29 | 0.06 | - | 0.42 | 0.39 | |
| 1,2-dipalmitoyl-GPC (16:0/16:0) | 0.44 | - | 2.00 | 0.11 | 0.19 | 0.58 | - | - | 0.06 | 0.40 | 0.36 | 0.29 | 0.12 | - | 0.30 | - | 0.07 | - | - | 0.07 | - | - | - | - | - | - | |
| 1,2-dipalmitoyl-GPE (16:0/16:0)* | - | - | 1.22 | - | 0.26 | 0.24 | 0.54 | 0.00 | 0.10 | - | - | 0.03 | - | - | 0.15 | - | 0.01 | 0.08 | 0.27 | 0.02 | 0.38 | 0.25 | 0.10 | - | 0.34 | 0.99 | |
| 1,2-dipalmitoyl-GPI (16:0/16:0)* | - | - | 0.20 | - | - | 0.28 | - | - | - | - | - | 0.21 | - | - | 0.08 | - | - | 0.12 | 0.47 | 0.15 | 0.08 | 0.36 | 0.19 | 0.03 | 0.39 | 0.98 | |
| 12-HEPE | - | - | - | - | 0.50 | 0.58 | 1.18 | - | 0.17 | 0.51 | 0.03 | 0.24 | - | - | 0.23 | 0.03 | 0.05 | - | - | - | 0.12 | - | - | - | - | 0.53 | |
| 12-HETE | - | - | - | 0.23 | - | 0.07 | 0.92 | - | 0.27 | 0.03 | - | 0.24 | - | 0.00 | 0.21 | 0.10 | 0.37 | - | 0.09 | 0.09 | 0.33 | - | - | - | - | 0.42 | |
| 12-HHTrE | - | - | 0.50 | 0.58 | - | - | 0.17 | - | 0.22 | - | 0.07 | 0.21 | - | 0.00 | 0.38 | 0.08 | 0.40 | - | 0.11 | 0.35 | 0.09 | - | - | - | - | 0.49 | |
| (12 or 13)-methylmyristate (a15:0 or i15:0) | 0.79 | 0.76 | 1.96 | 0.84 | 1.28 | - | 0.95 | 0.82 | - | - | - | 0.11 | - | - | - | 0.03 | 0.09 | 0.02 | 0.36 | - | - | 0.42 | 0.01 | - | 0.08 | 0.66 | |
| 1,3,7-trimethylurate | - | - | - | - | - | - | - | 0.77 | 0.00 | - | - | - | 0.01 | - | - | 0.24 | - | 0.01 | 0.09 | - | 0.22 | 0.13 | 0.57 | - | 0.10 | - | |
| 1,3-dimethylurate | 0.21 | 0.15 | - | - | - | - | - | 0.84 | 0.28 | - | - | 0.02 | 0.02 | - | - | 0.24 | - | 0.03 | - | 0.17 | 0.26 | 0.18 | 0.39 | - | 0.07 | 0.47 | |
| 14-HDoHE/17-HDoHE | - | 0.01 | 0.14 | - | 0.72 | 0.89 | 1.35 | - | 0.70 | 0.30 | 0.00 | 0.25 | - | 0.05 | - | 0.08 | 0.17 | - | - | 0.00 | 0.26 | - | 0.06 | - | 0.06 | 0.18 | |
| (14 or 15)-methylpalmitate (a17:0 or i17:0) | - | 0.61 | 2.04 | 1.06 | 0.29 | 0.85 | 0.94 | 0.50 | 0.05 | - | - | - | 0.02 | - | - | 0.00 | 0.00 | 0.04 | - | 0.27 | - | 0.08 | - | 0.35 | - | 0.99 | |
| 1,5-anhydroglucitol (1,5-AG) | 0.87 | - | 1.32 | 0.62 | - | - | - | 0.20 | 0.21 | 0.13 | 0.09 | 0.40 | 0.17 | 0.16 | 0.09 | - | - | 0.31 | 0.11 | - | - | - | - | - | - | - | |
| 15-HETE | 0.24 | 0.58 | 0.64 | 0.23 | 0.59 | 0.87 | 1.56 | - | 0.07 | 0.16 | - | 0.44 | - | - | - | - | 0.23 | - | 0.12 | - | 0.08 | - | - | - | - | 0.67 | |
| 16a-hydroxy DHEA 3-sulfate | 0.50 | 0.48 | - | 0.31 | - | 0.75 | 0.18 | - | 0.27 | - | - | - | - | - | - | - | 0.02 | 0.11 | 0.21 | 0.68 | 0.40 | 0.64 | 0.33 | 0.97 | 0.75 | 0.55 | |
| 16-hydroxypalmitate | 1.63 | 0.76 | 2.74 | 2.11 | 0.83 | 0.97 | 1.72 | 0.66 | - | - | - | 0.06 | 0.03 | - | 0.05 | - | - | - | 0.01 | - | 0.05 | 0.21 | - | - | - | 1.41 | |
| (16 or 17)-methylstearate (a19:0 or i19:0) | 0.61 | 0.40 | 1.88 | 1.42 | 0.06 | - | 1.24 | 0.30 | - | 0.14 | - | - | 0.22 | 0.10 | - | 0.19 | 0.05 | 0.03 | - | 0.31 | - | - | - | - | - | 0.92 | |
| 17alpha-hydroxypregnanolone glucuronide | 1.20 | 0.29 | - | - | - | - | - | - | - | - | - | - | - | - | - | 0.12 | 0.21 | 0.15 | 0.27 | 0.40 | 0.59 | 0.76 | 0.82 | 0.96 | 0.61 | 0.78 | |
| 1,7-dimethylurate | 0.32 | 0.27 | - | - | - | - | - | 0.80 | 0.37 | - | - | 0.11 | - | - | 0.09 | 0.19 | - | - | - | 0.10 | 0.26 | 0.09 | 0.30 | - | - | 0.35 | |
| 1-arachidonoyl-GPA (20:4) | - | 0.10 | 0.06 | - | - | 0.69 | 1.17 | - | 0.54 | 0.23 | - | 0.17 | - | 0.02 | - | 0.09 | 0.29 | - | - | 0.08 | 0.32 | - | 0.29 | - | - | 0.74 | |
| 1-arachidonoyl-GPC* (20:4)* | - | 0.08 | - | - | - | - | - | 0.92 | - | 0.43 | 0.61 | 0.10 | 0.21 | 0.28 | 0.14 | - | 0.01 | 0.61 | - | - | - | - | - | 0.00 | - | - | |
| 1-arachidonoyl-GPE (20:4n6)* | - | 0.09 | - | - | - | - | - | 0.49 | - | 0.02 | 0.34 | - | 0.19 | 0.12 | 0.17 | - | 0.12 | 0.36 | - | - | - | - | - | 0.03 | - | 0.80 | |
| 1-arachidonoyl-GPI* (20:4)* | 0.32 | - | 0.70 | - | - | 0.03 | - | 0.51 | - | 0.44 | 0.52 | 0.15 | 0.31 | 0.26 | 0.00 | - | - | 0.58 | - | - | - | - | - | 0.02 | - | - | |
| 1-arachidonylglycerol (20:4) | 0.15 | 0.49 | 0.02 | - | - | 0.86 | - | 1.10 | 0.08 | - | 0.34 | - | 0.09 | 0.09 | - | - | - | 0.29 | - | - | 0.11 | - | 0.23 | 0.25 | - | 0.72 | |
| 1-carboxyethylisoleucine | 0.57 | 0.13 | - | 0.76 | 1.58 | 1.38 | 2.90 | 0.15 | - | - | - | 0.06 | - | - | 0.10 | 0.50 | - | - | 0.55 | - | - | - | 0.14 | - | - | 0.35 | |
| 1-carboxyethylleucine | 1.07 | - | - | 0.58 | 1.00 | 1.26 | 2.37 | - | 0.15 | - | - | 0.17 | - | 0.00 | - | 0.37 | - | - | 0.21 | - | 0.26 | - | 0.19 | - | 0.10 | 0.56 | |
| 1-carboxyethylphenylalanine | 0.79 | 0.46 | - | 0.51 | 1.24 | 1.18 | 3.27 | - | - | - | - | 0.08 | - | - | - | 0.33 | - | - | 0.44 | 0.04 | 0.21 | 0.00 | 0.26 | - | 0.22 | 0.51 | |
| 1-carboxyethylvaline | 0.97 | 0.31 | - | - | 1.13 | 1.14 | 2.72 | - | - | - | - | 0.22 | - | - | 0.06 | 0.29 | - | - | 0.24 | - | 0.11 | - | 0.11 | - | 0.06 | 0.72 | |
| 1-dihomo-linolenylglycerol (20:3) | 1.48 | - | - | - | - | - | - | 0.93 | - | 0.04 | 0.35 | - | 0.17 | - | 0.00 | - | - | 0.30 | 0.04 | - | - | 0.19 | - | 0.09 | - | 0.61 | |
| 1-dihomo-linoleoylglycerol (20:2) | - | - | - | - | - | - | - | - | - | - | - | - | 0.11 | 0.06 | - | 0.07 | 0.11 | 0.30 | - | 0.22 | 0.04 | 0.10 | 0.13 | 0.10 | - | 0.39 | |
| 1-docosahexaenoylglycerol (22:6) | - | - | - | - | - | 0.03 | - | 0.28 | - | 0.17 | 0.32 | - | 0.31 | 0.21 | - | - | - | 0.29 | - | - | - | - | 0.09 | 0.47 | - | 0.37 | |
| 1-lignoceroyl-GPC (24:0) | - | 0.23 | 0.89 | 0.79 | 1.13 | - | 0.71 | 0.34 | - | 0.56 | 0.40 | 0.08 | 0.07 | 0.24 | 0.23 | - | - | - | 0.01 | - | - | - | - | - | 0.00 | - | |
| 1-linolenoylglycerol (18:3) | - | - | - | - | - | - | - | - | - | - | - | - | 0.29 | - | 0.19 | 0.04 | 0.01 | 0.20 | - | 0.32 | 0.21 | 0.33 | - | - | - | - | |
| 1-linolenoyl-GPC (18:3)* | 0.86 | - | - | - | - | - | - | 0.07 | - | 0.66 | 0.41 | 0.29 | 0.13 | 0.12 | 0.32 | - | - | 0.29 | - | - | - | - | - | - | - | - | |
| 1-linoleoyl-2-arachidonoyl-GPC (18:2/20:4n6)* | - | 0.96 | 0.07 | 1.13 | 0.81 | 0.79 | - | - | - | 0.94 | 0.71 | 0.27 | 0.28 | 0.01 | 0.27 | - | - | - | - | - | - | - | - | - | - | - | |
| 1-linoleoyl-2-linolenoyl-GPC (18:2/18:3)* | - | 0.23 | - | - | 1.12 | 0.19 | - | - | - | 0.57 | 0.19 | 0.22 | 0.15 | 0.01 | 0.38 | - | - | - | - | 0.03 | - | - | - | - | 0.32 | - | |
| 1-linoleoylglycerol (18:2) | - | 0.01 | - | - | - | - | - | - | - | - | - | - | 0.06 | - | 0.06 | 0.06 | 0.08 | 0.30 | 0.04 | 0.15 | 0.43 | 0.38 | 0.29 | 0.22 | 0.06 | 0.44 | |
| 1-linoleoyl-GPA (18:2)* | - | - | - | - | - | - | 1.57 | - | - | - | - | 0.12 | - | - | - | 0.14 | 0.22 | 0.03 | 0.33 | 0.18 | 0.47 | 0.03 | 0.58 | - | 0.39 | 0.69 | |
| 1-linoleoyl-GPC (18:2) | - | - | - | - | - | - | - | 0.30 | - | 0.32 | 0.34 | 0.10 | 0.42 | 0.21 | 0.34 | - | - | 0.28 | - | - | - | - | - | - | - | - | |
| 1-linoleoyl-GPE (18:2)* | - | - | - | - | - | - | - | - | 0.01 | - | - | 0.03 | 0.23 | - | 0.36 | 0.11 | 0.09 | 0.26 | 0.25 | - | - | 0.01 | - | - | - | 0.47 | |
| 1-linoleoyl-GPG (18:2)* | - | - | - | - | - | - | - | 0.47 | - | - | - | 0.42 | 0.20 | - | 0.03 | - | 0.28 | 0.45 | 0.24 | 0.09 | 0.04 | 0.26 | - | - | - | - | |
| 1-linoleoyl-GPI* (18:2)* | - | - | 0.61 | - | - | - | - | 0.31 | - | 0.09 | 0.27 | 0.13 | 0.36 | 0.16 | 0.11 | - | 0.01 | 0.41 | - | 0.08 | - | - | - | - | - | - | |
| 1-methyl-4-imidazoleacetate | - | - | - | 0.40 | 0.83 | - | - | - | - | - | 0.08 | - | - | 0.14 | 0.12 | 0.09 | - | 0.59 | - | 0.22 | - | 0.08 | 0.22 | - | - | 0.38 | |
| 1-methyl-5-imidazoleacetate | 0.85 | 0.71 | - | 0.35 | - | 0.71 | - | 0.73 | - | - | - | - | 0.04 | - | 0.09 | 0.05 | - | 0.08 | - | 0.02 | 0.12 | 0.12 | 0.29 | 0.29 | 0.29 | - | |
| 1-methyladenosine | - | - | - | - | - | - | - | 0.33 | 0.23 | 0.19 | 0.08 | - | - | 0.10 | 0.41 | - | 0.13 | 0.20 | - | 0.04 | 0.18 | 0.17 | - | 0.27 | - | 0.11 | |
| 1-methylhistidine | 0.28 | - | 0.07 | 0.61 | 0.05 | - | - | 0.68 | - | 0.02 | 0.10 | 0.14 | - | - | - | - | - | 0.10 | 0.23 | - | - | - | 0.36 | 0.20 | 0.22 | 0.09 | |
| 1-methylnicotinamide | - | - | - | - | - | - | - | - | - | 0.31 | 0.02 | 0.12 | - | - | - | - | 0.01 | 0.33 | 0.28 | 0.33 | - | 0.35 | - | 0.45 | 0.02 | - | |
| 1-methylurate | 0.27 | 0.46 | - | - | - | - | - | 0.44 | 0.75 | - | 0.04 | - | - | - | 0.24 | 0.07 | - | - | 0.26 | 0.13 | 0.21 | 0.17 | 0.05 | - | - | - | |
| 1-methylxanthine | 1.04 | 0.20 | - | - | 0.01 | - | - | 0.38 | 0.83 | - | 0.32 | 0.26 | 0.01 | - | 0.12 | 0.14 | - | - | - | - | - | - | 0.06 | - | - | 0.18 | |
| 1-myristoyl-2-arachidonoyl-GPC (14:0/20:4)* | - | 0.87 | - | - | - | 0.06 | - | - | - | 0.40 | 0.63 | 0.21 | - | - | 0.22 | - | - | 0.11 | - | - | - | - | - | - | - | - | |
| 1-myristoyl-2-palmitoyl-GPC (14:0/16:0) | 0.99 | 0.15 | - | - | 0.02 | - | - | - | 0.48 | 0.39 | 0.26 | 0.23 | 0.05 | - | 0.11 | - | - | - | 0.04 | - | 0.05 | - | - | - | - | 0.01 | |
| 1-myristoylglycerol (14:0) | 0.24 | - | 0.55 | - | - | - | - | - | - | - | 0.11 | - | - | - | - | 0.18 | 0.14 | 0.30 | 0.33 | 0.14 | 0.51 | 0.04 | 0.04 | - | - | 0.92 | |
| 1-oleoyl-2-arachidonoyl-GPE (18:1/20:4)* | - | - | - | - | - | 0.56 | - | - | 0.19 | - | 0.11 | - | - | - | 0.41 | - | 0.19 | 0.24 | 0.06 | 0.45 | 0.03 | 0.44 | 0.11 | 0.10 | 0.28 | 0.65 | |
| 1-oleoyl-2-docosahexaenoyl-GPC (18:1/22:6)* | - | - | 1.06 | 0.08 | 1.16 | 0.25 | - | - | 0.09 | 1.01 | 0.58 | 0.16 | 0.22 | - | 0.18 | - | - | - | - | - | - | - | - | - | - | - | |
| 1-oleoyl-2-docosahexaenoyl-GPE (18:1/22:6)* | - | - | - | - | - | 0.07 | - | - | 0.20 | 0.13 | 0.12 | 0.02 | 0.07 | - | 0.16 | - | - | 0.12 | - | 0.39 | - | 0.26 | 0.05 | 0.31 | 0.29 | - | |
| 1-oleoyl-2-linoleoyl-GPE (18:1/18:2)* | - | - | - | - | 0.55 | - | - | - | 0.21 | - | - | - | - | - | 0.49 | 0.10 | 0.23 | - | 0.44 | 0.56 | 0.27 | 0.50 | 0.32 | - | 0.54 | 0.56 | |
| 1-oleoyl-2-linoleoyl-GPI (18:1/18:2)* | - | - | 1.42 | - | 0.12 | - | 0.13 | - | - | 0.35 | 0.09 | 0.26 | 0.07 | - | 0.01 | - | - | - | 0.20 | 0.29 | 0.08 | - | - | - | 0.14 | 0.23 | |
| 1-oleoylglycerol (18:1) | - | - | - | - | - | - | - | - | - | - | - | - | 0.07 | - | - | 0.14 | 0.20 | 0.15 | 0.20 | 0.34 | 0.35 | 0.48 | 0.54 | 0.34 | 0.08 | 0.54 | |
| 1-oleoylglycerophosphate (18:1) | - | - | 0.03 | - | - | 0.29 | 1.75 | - | - | - | - | 0.04 | - | 0.04 | - | - | 0.24 | - | 0.22 | 0.32 | 0.42 | - | 0.66 | 0.07 | 0.36 | 0.71 | |
| 1-oleoyl-GPC (18:1) | - | - | - | - | - | - | 0.06 | 0.17 | - | 0.76 | 0.42 | 0.22 | 0.10 | 0.14 | 0.35 | - | - | 0.27 | - | - | - | - | - | 0.08 | - | 0.09 | |
| 1-oleoyl-GPE (18:1) | - | - | - | - | 0.24 | - | - | - | - | - | - | 0.04 | 0.06 | - | 0.40 | 0.21 | - | 0.09 | 0.30 | - | - | - | - | - | 0.15 | 1.33 | |
| 1-oleoyl-GPG (18:1)* | - | - | - | - | 0.00 | - | - | - | - | - | 0.13 | 0.12 | 0.15 | - | 0.06 | - | 0.22 | 0.35 | 0.27 | - | - | - | - | - | 0.16 | 0.03 | |
| 1-oleoyl-GPI (18:1) | - | - | 0.69 | - | - | - | - | 0.10 | - | 0.20 | 0.33 | 0.03 | 0.17 | 0.09 | 0.02 | - | - | 0.25 | 0.05 | 0.16 | - | - | - | - | 0.09 | - | |
| 1-palmitoleoyl-2-linolenoyl-GPC (16:1/18:3)* | 0.51 | 0.08 | - | - | 0.05 | - | - | - | 0.04 | 0.25 | 0.09 | 0.10 | 0.02 | - | 0.27 | - | 0.07 | 0.07 | 0.07 | 0.18 | - | - | - | - | - | - | |
| 1-palmitoleoylglycerol (16:1)* | 0.10 | - | - | - | - | - | - | - | 0.08 | - | 0.02 | - | - | - | - | 0.14 | 0.24 | 0.34 | 0.30 | 0.21 | 0.57 | 0.26 | 0.14 | 0.24 | - | 0.86 | |
| 1-palmitoleoyl-GPC* (16:1)* | 0.06 | - | - | - | - | - | - | 0.23 | 0.05 | 0.44 | 0.47 | 0.37 | - | - | 0.20 | 0.08 | 0.09 | 0.49 | - | - | - | - | - | - | - | 0.31 | |
| 1-palmitoyl-2-arachidonoyl-GPC (16:0/20:4n6) | - | 0.45 | 0.93 | - | - | 1.18 | - | - | - | 0.12 | 0.52 | 0.04 | 0.12 | - | 0.38 | - | 0.31 | 0.30 | - | - | - | - | - | - | - | - | |
| 1-palmitoyl-2-arachidonoyl-GPE (16:0/20:4)* | - | - | - | - | - | - | - | - | 0.09 | - | - | - | - | - | 0.34 | - | 0.38 | 0.20 | 0.34 | 0.48 | 0.42 | 0.66 | 0.28 | 0.24 | 0.40 | 0.77 | |
| 1-palmitoyl-2-arachidonoyl-GPI (16:0/20:4)* | 0.02 | - | 1.23 | - | - | 0.41 | - | - | - | 0.28 | 0.34 | 0.34 | - | - | 0.15 | - | - | 0.14 | 0.08 | - | 0.17 | - | - | - | - | 0.38 | |
| 1-palmitoyl-2-dihomo-linolenoyl-GPC (16:0/20:3n3 or 6)* | - | - | - | - | - | 0.55 | - | - | 0.12 | 0.12 | 0.35 | 0.22 | 0.09 | - | 0.64 | - | 0.28 | - | 0.46 | 0.31 | - | - | - | - | - | - | |
| 1-palmitoyl-2-docosahexaenoyl-GPC (16:0/22:6) | - | - | 0.92 | - | 0.73 | 0.47 | - | - | - | 0.82 | 0.49 | 0.10 | 0.31 | - | 0.06 | - | - | 0.11 | - | - | - | - | - | 0.06 | - | - | |
| 1-palmitoyl-2-docosahexaenoyl-GPE (16:0/22:6)* | - | - | - | - | - | - | - | - | - | - | 0.01 | 0.03 | 0.09 | - | 0.07 | - | 0.12 | 0.19 | - | 0.26 | 0.07 | 0.41 | - | 0.26 | 0.34 | 0.04 | |
| 1-palmitoyl-2-linoleoyl-GPC (16:0/18:2) | - | - | - | - | - | - | - | - | - | - | 0.04 | 0.05 | 0.13 | - | 0.74 | - | 0.36 | 0.12 | 0.02 | 0.38 | - | 0.01 | - | - | - | - | |
| 1-palmitoyl-2-linoleoyl-GPE (16:0/18:2) | - | - | - | - | - | - | - | - | 0.19 | - | - | - | - | - | 0.44 | - | 0.28 | - | 0.51 | 0.62 | 0.61 | 0.71 | 0.36 | 0.10 | 0.67 | 0.57 | |
| 1-palmitoyl-2-linoleoyl-GPI (16:0/18:2) | - | - | 1.25 | - | - | 0.20 | - | - | - | - | - | 0.35 | 0.16 | - | 0.18 | - | - | - | 0.30 | 0.26 | 0.42 | - | - | - | - | 0.50 | |
| 1-palmitoyl-2-oleoyl-GPC (16:0/18:1) | - | - | - | - | - | 0.50 | - | - | - | 0.31 | 0.24 | 0.07 | 0.03 | - | 0.45 | - | 0.16 | 0.07 | 0.22 | 0.22 | - | - | - | 0.17 | 0.08 | - | |
| 1-palmitoyl-2-oleoyl-GPE (16:0/18:1) | - | - | - | - | - | - | - | - | 0.12 | - | - | - | - | - | 0.33 | - | 0.18 | - | 0.49 | 0.48 | 0.57 | 0.65 | 0.51 | 0.27 | 0.72 | 0.95 | |
| 1-palmitoyl-2-oleoyl-GPI (16:0/18:1)* | - | - | 0.71 | - | - | - | - | - | - | - | - | 0.19 | - | - | 0.10 | - | 0.05 | - | 0.46 | 0.06 | 0.36 | - | 0.06 | - | 0.01 | 1.47 | |
| 1-palmitoyl-2-palmitoleoyl-GPC (16:0/16:1)* | 0.52 | - | - | - | - | - | - | - | 0.22 | 0.10 | 0.20 | 0.15 | - | - | 0.04 | 0.03 | 0.08 | 0.19 | 0.35 | 0.04 | 0.34 | 0.15 | - | - | - | 0.67 | |
| 1-palmitoyl-2-stearoyl-GPC (16:0/18:0) | 0.10 | - | 2.58 | 1.02 | 0.83 | - | 1.38 | 0.11 | - | 0.91 | 0.39 | 0.39 | 0.33 | 0.16 | 0.33 | - | - | - | - | - | - | - | - | - | - | - | |
| 1-palmitoyl-2-stearoyl-GPE (16:0/18:0)* | - | - | 1.43 | - | 1.19 | - | 1.39 | - | 0.20 | - | - | 0.07 | - | - | 0.05 | 0.10 | 0.06 | - | 0.36 | 0.09 | - | - | 0.12 | - | - | 0.56 | |
| 1-palmitoylglycerol (16:0) | - | - | 0.44 | - | - | - | - | 0.01 | - | - | - | - | 0.10 | - | - | 0.03 | 0.16 | 0.11 | 0.11 | 0.24 | 0.29 | 0.47 | 0.28 | 0.33 | 0.00 | 0.29 | |
| 1-palmitoyl-GPA (16:0) | - | - | - | - | - | 0.27 | 1.73 | - | - | - | - | 0.08 | - | - | 0.00 | 0.09 | 0.24 | - | 0.19 | 0.11 | 0.54 | - | 0.64 | 0.08 | 0.28 | 1.11 | |
| 1-palmitoyl-GPC (16:0) | - | - | - | - | - | - | 0.74 | - | - | 0.51 | 0.33 | 0.40 | - | 0.04 | 0.52 | - | 0.16 | 0.20 | - | - | - | - | - | - | - | 0.26 | |
| 1-palmitoyl-GPE (16:0) | - | - | - | - | - | - | - | - | - | - | 0.04 | 0.12 | - | - | 0.29 | - | 0.09 | 0.22 | 0.11 | - | 0.29 | - | - | 0.14 | 0.09 | 1.31 | |
| 1-palmitoyl-GPG (16:0)* | 0.38 | - | 0.23 | - | - | 0.81 | 0.07 | 0.30 | - | - | 0.08 | 0.41 | - | 0.13 | - | 0.08 | - | 0.13 | 0.18 | - | - | - | - | - | - | 0.62 | |
| 1-palmitoyl-GPI* (16:0) | 0.19 | - | 0.59 | - | - | - | - | 0.20 | - | 0.19 | 0.42 | 0.23 | 0.20 | 0.11 | - | - | - | 0.40 | - | 0.08 | - | - | - | - | - | 0.11 | |
| 1-pentadecanoylglycerol (15:0) | 0.38 | - | - | - | - | 0.28 | - | - | 0.48 | - | 0.04 | - | - | 0.08 | - | 0.03 | 0.19 | - | 0.20 | 0.17 | 0.38 | 0.33 | 0.13 | 0.15 | 0.37 | 0.59 | |
| 1-ribosyl-imidazoleacetate* | - | - | - | - | - | - | - | - | - | - | - | - | - | 0.25 | 0.04 | - | - | 0.31 | - | 0.00 | 0.54 | - | 0.55 | 0.19 | - | - | |
| 1-stearoyl-2-arachidonoyl-GPC (18:0/20:4) | - | 0.78 | 1.48 | 0.82 | - | 1.03 | - | 0.29 | - | 0.30 | 0.57 | 0.07 | 0.20 | - | 0.26 | - | 0.11 | 0.09 | - | - | - | - | - | - | - | - | |
| 1-stearoyl-2-arachidonoyl-GPE (18:0/20:4) | - | - | - | - | - | 0.45 | - | 0.06 | - | - | - | - | - | - | 0.30 | - | 0.49 | 0.10 | 0.18 | 0.44 | - | 0.61 | 0.14 | - | 0.17 | 0.37 | |
| 1-stearoyl-2-arachidonoyl-GPI (18:0/20:4) | - | 0.32 | 1.84 | - | - | 0.74 | - | - | - | 0.62 | 0.22 | 0.03 | 0.05 | - | 0.32 | - | - | - | - | 0.39 | - | - | - | 0.03 | 0.14 | - | |
| 1-stearoyl-2-docosahexaenoyl-GPC (18:0/22:6) | - | - | 1.05 | - | 1.36 | 0.65 | 0.01 | - | - | 0.77 | 0.43 | 0.17 | 0.29 | 0.20 | - | - | - | - | - | - | - | - | - | 0.13 | - | - | |
| 1-stearoyl-2-docosahexaenoyl-GPE (18:0/22:6)* | - | - | - | - | - | 0.17 | - | - | - | - | 0.00 | 0.05 | 0.24 | 0.06 | 0.13 | - | 0.21 | - | - | 0.22 | 0.02 | 0.13 | - | 0.02 | - | - | |
| 1-stearoyl-2-linoleoyl-GPC (18:0/18:2)* | - | - | 0.94 | - | 0.81 | - | - | - | 0.21 | 0.26 | 0.09 | 0.07 | 0.16 | - | 0.72 | - | 0.20 | - | 0.22 | 0.34 | - | - | - | - | 0.04 | - | |
| 1-stearoyl-2-linoleoyl-GPE (18:0/18:2)* | - | - | - | - | 0.15 | - | - | - | 0.12 | - | - | - | - | - | 0.47 | 0.06 | 0.34 | - | 0.65 | 0.66 | 0.25 | 0.59 | 0.35 | 0.06 | 0.51 | 0.48 | |
| 1-stearoyl-2-linoleoyl-GPI (18:0/18:2) | - | - | 1.15 | - | 0.12 | 0.45 | - | - | - | 0.07 | - | 0.01 | 0.10 | - | 0.21 | - | 0.01 | - | 0.19 | 0.57 | - | 0.06 | 0.37 | - | 0.68 | - | |
| 1-stearoyl-2-oleoyl-GPC (18:0/18:1) | - | - | 0.51 | - | 0.24 | 0.17 | - | - | - | 0.50 | 0.27 | 0.14 | 0.06 | - | 0.35 | - | - | - | 0.31 | 0.02 | - | - | - | 0.31 | 0.18 | - | |
| 1-stearoyl-2-oleoyl-GPE (18:0/18:1) | - | - | - | - | 0.18 | - | - | - | - | - | - | - | - | - | 0.44 | - | 0.11 | - | 0.64 | 0.38 | 0.20 | 0.60 | 0.44 | 0.14 | 0.66 | 0.80 | |
| 1-stearoyl-2-oleoyl-GPG (18:0/18:1) | - | 0.04 | 0.62 | 1.05 | 0.56 | - | 0.81 | - | - | 0.74 | 0.30 | 0.16 | 0.33 | 0.28 | - | 0.13 | - | - | - | - | - | - | - | 0.20 | - | - | |
| 1-stearoyl-2-oleoyl-GPI (18:0/18:1)* | - | - | 0.33 | - | - | 0.32 | - | - | - | - | - | - | - | - | 0.14 | - | 0.07 | - | 0.29 | 0.21 | 0.20 | 0.23 | 0.59 | 0.28 | 1.08 | 0.82 | |
| 1-stearoyl-2-oleoyl-GPS (18:0/18:1) | 0.75 | - | 0.53 | - | 0.68 | 0.30 | 1.99 | - | 0.21 | 0.27 | - | 0.31 | - | - | 0.29 | - | 0.15 | - | - | - | 0.05 | - | - | 0.02 | 0.54 | 0.20 | |
| 1-stearoyl-GPC (18:0) | - | - | - | 0.21 | - | - | 1.85 | 0.04 | - | 0.67 | 0.28 | 0.34 | 0.01 | 0.24 | 0.33 | - | - | - | - | - | - | - | - | 0.04 | - | 0.07 | |
| 1-stearoyl-GPE (18:0) | - | - | - | - | - | - | 0.96 | 0.01 | - | - | - | 0.10 | - | 0.07 | 0.29 | - | 0.19 | - | 0.08 | - | - | - | - | 0.20 | - | 1.36 | |
| 1-stearoyl-GPG (18:0) | - | - | 0.53 | - | - | - | 0.83 | - | - | - | - | 0.30 | - | 0.15 | - | - | 0.22 | - | 0.49 | - | 0.18 | - | 0.20 | 0.06 | 0.19 | 1.09 | |
| 1-stearoyl-GPI (18:0) | - | - | 1.24 | - | - | - | - | 0.29 | - | 0.27 | 0.47 | 0.11 | 0.18 | 0.33 | - | - | - | 0.40 | - | 0.13 | - | - | - | - | - | - | |
| 21-hydroxypregnanolone monosulfate (1) | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | 0.13 | 0.16 | 0.56 | 0.63 | 0.64 | 0.61 | 0.74 | 0.77 | 0.97 | 1.38 | 0.50 | |
| 21-hydroxypregnenolone disulfate | 0.15 | 0.29 | - | 0.21 | - | - | 0.11 | - | - | 0.10 | 0.10 | - | - | 0.11 | - | - | 0.28 | 0.22 | - | 0.63 | 0.26 | 0.51 | 0.19 | 0.40 | 0.28 | 0.80 | |
| 2,2^-Methylenebis(6-tert-butyl-p-cresol) | 0.16 | - | - | - | 0.11 | 0.44 | 0.66 | - | - | - | 0.16 | 0.36 | - | 0.02 | 0.05 | 0.13 | 0.07 | 0.01 | - | 0.02 | 0.10 | - | - | - | 0.03 | 0.24 | |
| 2,3-dihydroxy-5-methylthio-4-pentenoate (DMTPA)* | 1.23 | 0.65 | - | 0.78 | 0.55 | - | 2.30 | 0.28 | 0.66 | 0.09 | - | - | - | - | 0.08 | - | - | 0.04 | - | 0.29 | 0.09 | 0.24 | 0.30 | 0.31 | 0.37 | 0.72 | |
| 2,3-dihydroxyisovalerate | 0.45 | 0.35 | - | 0.22 | 0.97 | 0.90 | 0.06 | 0.58 | - | - | - | - | - | - | - | 0.19 | 0.06 | 0.30 | 0.35 | 0.00 | 0.32 | 0.09 | 0.21 | 0.39 | 0.27 | 0.01 | |
| 2,3-dihydroxypyridine | - | 0.14 | - | - | 0.02 | - | - | - | 1.24 | - | - | - | - | - | 0.37 | 0.09 | 0.26 | 0.11 | 0.20 | 0.07 | - | - | 0.61 | - | - | 0.02 | |
| (2,4 or 2,5)-dimethylphenol sulfate | 0.45 | 0.61 | 0.74 | - | 0.24 | 1.31 | 2.04 | - | 0.74 | - | - | 0.27 | - | 0.07 | 0.14 | 0.09 | 0.04 | - | - | 0.14 | 0.24 | - | 0.01 | - | 0.39 | 0.35 | |
| 2,6-dihydroxybenzoic acid | - | - | - | - | 0.19 | - | - | - | - | 0.44 | - | - | - | - | - | 0.11 | - | 0.15 | 0.27 | 0.29 | - | 0.08 | 0.21 | 0.17 | 0.45 | - | |
| 2-aminoadipate | 0.09 | 0.41 | - | 0.23 | - | 0.48 | - | 0.24 | - | - | - | - | - | - | 0.31 | 0.35 | 0.25 | 0.30 | 0.04 | 0.31 | - | - | - | 0.35 | - | 0.17 | |
| 2-aminobutyrate | - | 0.28 | - | 0.34 | 1.16 | 1.25 | - | - | - | 0.39 | 0.06 | - | 0.14 | - | 0.23 | 0.11 | 0.12 | 0.24 | - | - | - | - | - | 0.40 | - | - | |
| 2-aminoheptanoate | - | - | 0.61 | - | 0.07 | - | 0.80 | 0.13 | - | - | - | - | 0.27 | 0.49 | 0.04 | 0.01 | - | 0.03 | - | - | 0.07 | 0.06 | - | - | 0.15 | - | |
| 2-aminooctanoate | - | 0.05 | 0.67 | - | 0.68 | - | 0.05 | - | - | 0.04 | 0.04 | - | 0.23 | 0.33 | - | - | - | - | - | - | - | 0.39 | 0.16 | - | 0.25 | - | |
| 2-aminophenol sulfate | 0.02 | - | - | 0.07 | 1.02 | - | 0.39 | - | 0.13 | 0.37 | 0.30 | 0.16 | 0.09 | 0.01 | 0.01 | - | - | - | - | - | - | - | - | 0.13 | 0.07 | - | |
| 2-arachidonoylglycerol (20:4) | 0.72 | - | 0.70 | - | - | 0.87 | - | 0.32 | 0.06 | 0.23 | 0.38 | - | 0.31 | - | - | - | 0.00 | 0.54 | - | - | - | - | - | 0.08 | - | 0.67 | |
| 2^-deoxyinosine | 0.42 | - | 0.89 | - | - | 0.37 | - | - | - | - | 0.28 | - | 0.24 | 0.20 | - | - | 0.03 | - | 0.00 | 0.03 | - | 0.32 | - | 0.02 | 0.12 | - | |
| 2^-deoxyuridine | 0.04 | - | 1.03 | 1.21 | 0.61 | 0.03 | - | 0.52 | - | 0.96 | 0.47 | 0.20 | 0.00 | 0.16 | - | - | 0.10 | - | - | - | - | - | - | - | - | - | |
| 2-hydroxy-3-methylvalerate | 1.17 | 0.79 | 0.02 | 0.45 | 1.15 | - | 1.06 | - | - | - | 0.11 | 0.08 | 0.15 | - | 0.02 | - | 0.10 | - | 0.33 | 0.06 | - | - | - | - | - | 0.44 | |
| 2-hydroxyadipate | 1.19 | 1.16 | 0.43 | - | 0.05 | 0.74 | 1.07 | 0.70 | 0.36 | 0.06 | 0.12 | 0.04 | 0.04 | 0.32 | - | 0.01 | - | - | 0.21 | - | - | 0.01 | - | - | - | 0.28 | |
| 2-hydroxyarachidate* | 0.11 | 0.14 | 0.52 | - | 1.58 | 0.44 | 0.21 | - | 0.17 | - | - | - | 0.02 | 0.25 | 0.29 | 0.25 | 0.11 | 0.31 | - | 0.20 | - | - | - | 0.08 | - | - | |
| 2-hydroxybehenate | - | 0.30 | - | 0.26 | - | - | - | - | - | - | - | 0.03 | 0.07 | - | 0.38 | 0.19 | 0.25 | 0.13 | 0.21 | 0.12 | - | - | 0.04 | - | - | - | |
| 2-hydroxybutyrate/2-hydroxyisobutyrate | 0.01 | 0.72 | 0.47 | 0.15 | - | 0.77 | - | - | - | 0.31 | 0.14 | - | 0.06 | - | 0.47 | - | 0.22 | - | 0.08 | 0.11 | - | - | - | 0.34 | - | 0.26 | |
| 2-hydroxydecanoate | 0.31 | - | 0.29 | - | 1.39 | 0.12 | - | 0.45 | - | - | - | - | 0.03 | 0.17 | 0.04 | 0.60 | 0.08 | 0.17 | 0.38 | - | - | - | 0.15 | - | 0.45 | - | |
| 2-hydroxyglutarate | 1.66 | - | 0.59 | - | 0.09 | 0.42 | 0.54 | 0.73 | 0.17 | 0.22 | 0.40 | 0.25 | 0.29 | 0.52 | 0.07 | - | - | - | - | - | 0.07 | - | - | - | - | 0.13 | |
| 2-hydroxyheptanoate* | 2.32 | - | - | - | 0.75 | 0.94 | 1.74 | 0.66 | 0.15 | - | - | - | 0.13 | 0.36 | - | - | - | - | - | - | - | 0.44 | 0.29 | - | 0.29 | - | |
| 2-hydroxyhippurate (salicylurate) | - | - | - | 0.39 | 0.07 | 0.69 | - | - | 0.12 | 0.60 | 0.12 | - | - | 0.01 | 0.03 | 0.14 | - | - | 0.04 | 0.25 | - | 0.01 | 0.26 | - | - | 0.29 | |
| 2-hydroxylaurate | 1.71 | 0.30 | 1.41 | 1.38 | 0.72 | 0.19 | 1.24 | 0.58 | 0.09 | - | - | 0.23 | 0.26 | 0.28 | - | - | 0.09 | - | - | - | 0.04 | 0.03 | - | - | - | 0.04 | |
| 2-hydroxymyristate | 1.18 | - | - | 1.33 | 0.86 | 0.72 | 0.79 | - | - | 0.53 | 0.31 | 0.32 | 0.01 | 0.26 | - | - | - | - | - | - | - | 0.24 | - | 0.20 | - | 0.46 | |
| 2-hydroxynervonate* | - | - | 1.57 | 0.28 | 0.06 | 0.14 | 1.04 | - | - | - | - | - | 0.27 | - | 0.17 | 0.13 | 0.30 | 0.03 | - | 0.29 | - | - | - | 0.15 | - | 0.22 | |
| 2-hydroxyoctanoate | 1.61 | 0.35 | 2.03 | 1.27 | 1.26 | 0.92 | 0.93 | 0.18 | 0.21 | - | - | - | 0.09 | 0.24 | - | 0.04 | - | - | - | - | - | 0.59 | 0.16 | - | 0.46 | - | |
| 2-hydroxypalmitate | 1.12 | - | 0.37 | 1.23 | - | 0.05 | 0.05 | 0.45 | - | 0.36 | 0.42 | 0.03 | 0.41 | 0.22 | - | - | - | 0.26 | - | - | - | - | - | 0.31 | - | - | |
| 2-hydroxyphenylacetate | - | 0.70 | 0.30 | 0.31 | 0.05 | 1.10 | - | 0.35 | 0.14 | - | - | 0.23 | - | - | 0.22 | - | - | 0.12 | - | 0.25 | 0.41 | - | 0.17 | 0.09 | - | - | |
| 2-hydroxyphytanate* | 1.19 | 0.70 | - | 0.68 | 1.43 | 0.41 | 0.45 | - | 0.43 | 0.39 | 0.23 | 0.20 | 0.19 | 0.15 | - | - | 0.03 | - | 0.02 | - | - | - | - | - | - | - | |
| 2-hydroxystearate | 0.64 | 0.20 | 0.39 | 0.99 | - | - | - | 0.48 | - | 0.33 | 0.46 | 0.18 | 0.40 | 0.20 | 0.05 | - | - | 0.11 | - | 0.00 | - | - | - | 0.04 | - | - | |
| 2-isopropylmalate | 0.35 | - | - | 0.69 | 1.23 | - | 0.55 | 0.33 | - | - | - | 0.18 | - | 0.14 | - | 0.14 | 0.16 | 0.22 | 0.40 | 0.06 | 0.01 | - | - | 0.37 | 0.14 | 0.26 | |
| 2-keto-3-deoxy-gluconate | 0.61 | 0.59 | - | 0.48 | 0.44 | 0.09 | 2.21 | - | - | 0.17 | - | 0.26 | 0.18 | 0.13 | 0.19 | - | - | - | 0.43 | - | 0.11 | - | - | - | - | 0.38 | |
| 2-ketocaprylate | - | - | 1.37 | 0.80 | 0.69 | - | 0.04 | - | - | - | - | - | 0.06 | 0.33 | - | - | - | 0.04 | - | - | - | 0.49 | 0.01 | - | 0.38 | - | |
| 2-linoleoylglycerol (18:2) | - | - | - | - | - | - | - | - | - | - | 0.08 | - | 0.23 | - | 0.09 | - | 0.01 | 0.33 | - | 0.10 | 0.26 | 0.05 | 0.24 | 0.24 | 0.01 | - | |
| 2-methylbutyrylcarnitine (C5) | 1.25 | 0.67 | - | 0.36 | 1.16 | 1.13 | 0.30 | 0.34 | 0.28 | - | - | - | - | - | 0.12 | 0.38 | 0.25 | 0.31 | 0.31 | - | - | - | - | 0.32 | - | - | |
| 2-methylbutyrylglycine (C5) | 0.91 | 0.64 | - | 0.66 | - | 0.29 | 0.82 | 0.32 | - | 0.19 | - | - | 0.09 | 0.11 | 0.22 | 0.20 | - | - | 0.19 | - | - | - | 0.09 | 0.12 | - | 0.28 | |
| 2-methylcitrate/homocitrate | 0.61 | - | - | - | 0.50 | 0.72 | - | 0.69 | - | 0.37 | - | 0.07 | - | 0.35 | 0.41 | 0.03 | - | - | - | - | - | - | - | - | 0.07 | 0.50 | |
| 2-methylserine | 1.09 | - | 0.15 | 0.09 | 0.45 | - | 0.03 | - | - | - | 0.07 | 0.16 | - | 0.14 | - | - | 0.09 | 0.18 | 0.18 | - | - | 0.25 | - | 0.11 | - | - | |
| 2-myristoylglycerol (14:0) | 0.29 | - | 0.59 | - | - | 0.41 | - | 0.36 | - | - | 0.07 | - | 0.14 | - | - | - | 0.15 | 0.12 | 0.26 | 0.00 | 0.16 | - | 0.11 | 0.14 | 0.03 | 0.83 | |
| 2-naphthol sulfate | 2.01 | 0.93 | 0.41 | 1.02 | - | 0.38 | 1.34 | - | 0.89 | - | - | - | - | 0.12 | 0.18 | - | 0.01 | 0.14 | - | - | - | 0.37 | 0.14 | - | - | 0.73 | |
| 2-oleoylglycerol (18:1) | - | - | 1.11 | - | - | - | - | 0.10 | - | - | 0.01 | - | 0.18 | - | 0.32 | 0.03 | 0.28 | 0.15 | 0.18 | 0.09 | 0.01 | 0.25 | - | 0.23 | - | 0.13 | |
| 2^-O-methylcytidine | 0.07 | 0.25 | 0.56 | - | - | - | - | 0.47 | 0.04 | - | 0.10 | 0.09 | 0.02 | - | 0.13 | - | 0.35 | - | 0.17 | 0.24 | 0.41 | 0.04 | - | - | - | - | |
| 2^-O-methyluridine | 1.42 | 0.29 | 0.23 | 0.75 | 0.53 | 0.47 | 1.94 | - | - | 0.10 | 0.08 | 0.14 | - | 0.41 | - | - | - | - | - | 0.02 | 0.11 | 0.04 | 0.09 | - | 0.16 | 0.01 | |
| 2-oxoarginine* | - | - | - | 0.55 | 0.47 | 0.90 | - | 0.54 | - | - | - | 0.19 | - | - | 0.06 | 0.38 | 0.10 | 0.32 | 0.10 | 0.18 | - | - | - | 0.36 | 0.21 | - | |
| 2-palmitoleoylglycerol (16:1)* | 1.01 | - | 0.84 | - | - | - | - | - | - | - | 0.10 | - | - | - | - | 0.28 | 0.01 | 0.55 | 0.22 | - | - | 0.37 | 0.15 | 0.29 | - | 1.27 | |
| 2-palmitoyl-GPC* (16:0)* | - | - | - | - | - | - | 1.88 | - | - | 0.25 | 0.22 | 0.31 | 0.31 | 0.11 | 0.24 | - | - | 0.02 | - | - | - | - | - | - | - | 1.10 | |
| 2-piperidinone | 1.41 | 0.46 | 1.69 | 1.63 | - | 1.70 | - | - | 0.30 | 0.10 | - | - | 0.23 | 0.28 | - | - | - | 0.15 | - | 0.02 | 0.06 | 0.21 | - | 0.05 | - | - | |
| 2-pyrrolidinone | 2.11 | - | 0.93 | - | - | - | 0.31 | - | 0.07 | 0.28 | 0.35 | 0.34 | 0.25 | 0.09 | 0.07 | - | - | 0.43 | - | - | - | - | - | - | - | - | |
| 2R,3R-dihydroxybutyrate | - | - | - | - | - | - | - | 0.33 | - | - | - | 0.02 | - | - | 0.31 | - | - | 0.35 | 0.27 | 0.25 | 0.25 | 0.17 | 0.31 | 0.50 | 0.39 | 0.40 | |
| 2S,3R-dihydroxybutyrate | - | - | - | - | - | - | - | 0.32 | - | - | - | 0.05 | - | - | - | - | 0.05 | 0.40 | 0.33 | 0.25 | - | 0.03 | 0.27 | 0.77 | 0.33 | 0.46 | |
| 2-stearoyl-GPE (18:0)* | - | - | - | - | - | 1.02 | 0.77 | - | 0.42 | - | - | 0.00 | - | 0.05 | 0.10 | 0.07 | - | - | 0.31 | - | 0.46 | 0.00 | 0.02 | 0.01 | 0.07 | 1.90 | |
| 3-(2-hydroxyphenyl)propionate | 0.71 | 1.02 | 0.44 | - | - | 1.41 | 1.29 | 0.85 | 0.45 | - | 0.12 | 0.01 | - | 0.31 | - | 0.13 | - | - | 0.07 | - | 0.18 | - | - | - | - | 0.39 | |
| 3-(3-hydroxyphenyl)propionate | 0.12 | - | 0.67 | 0.60 | 0.53 | 0.41 | - | 0.05 | - | 0.19 | 0.14 | 0.09 | 0.29 | 0.24 | 0.18 | 0.16 | - | - | - | - | - | - | - | - | - | - | |
| 3,4-dihydroxybutyrate | 0.44 | - | - | - | - | - | - | 0.25 | - | - | - | 0.04 | 0.20 | 0.25 | 0.25 | - | 0.16 | 0.07 | 0.31 | 0.02 | 0.35 | - | - | - | - | - | |
| 3-(4-hydroxyphenyl)lactate (HPLA) | 2.18 | - | - | - | 1.18 | 0.84 | 1.84 | - | 0.73 | - | - | 0.08 | - | - | 0.15 | - | - | 0.11 | 0.22 | - | 0.18 | - | 0.07 | 0.45 | 0.02 | 0.04 | |
| 3,4-methyleneheptanoate | 1.61 | 1.27 | 1.21 | - | 0.14 | 1.53 | 1.43 | 0.46 | - | 0.01 | 0.32 | 0.05 | - | 0.23 | - | - | - | - | - | - | - | 0.18 | - | - | 0.26 | - | |
| 3,7-dimethylurate | - | 0.58 | - | 0.30 | - | - | - | 0.60 | - | - | - | 0.11 | 0.18 | 0.15 | 0.14 | - | - | - | 0.43 | - | 0.03 | - | 0.20 | - | 0.09 | - | |
| 3-amino-2-piperidone | 1.12 | 0.19 | 0.93 | 1.02 | 0.85 | 1.55 | 3.14 | - | 0.09 | 0.15 | - | 0.09 | - | 0.14 | - | 0.01 | - | - | - | - | 0.30 | - | 0.40 | - | 0.32 | - | |
| 3-aminoisobutyrate | - | 0.15 | 0.50 | 0.15 | - | - | - | - | - | 0.08 | - | 0.08 | - | 0.14 | - | - | 0.14 | 0.02 | - | 0.33 | - | 0.28 | - | 0.32 | - | 0.28 | |
| 3beta,7alpha-dihydroxy-5-cholestenoate | 0.03 | 0.39 | 1.62 | 0.87 | - | 0.56 | 1.45 | 0.11 | 0.36 | - | - | 0.17 | 0.03 | - | 0.19 | - | - | - | - | 0.15 | 0.39 | - | 0.09 | 0.39 | 0.07 | 0.19 | |
| 3beta,7beta-dihydroxy-5-cholestenoate | 2.63 | 0.09 | 0.62 | 0.29 | - | 0.67 | - | - | 0.40 | 0.09 | - | - | 0.01 | - | - | - | - | - | - | 0.40 | 0.28 | 0.37 | - | 1.03 | 0.54 | 0.75 | |
| 3beta-hydroxy-5-cholestenoate | 1.51 | 0.45 | 2.19 | 1.94 | 0.44 | 0.55 | 1.52 | - | 1.54 | 0.38 | 0.45 | 0.10 | 0.17 | 0.15 | 0.17 | - | - | - | - | - | - | - | - | - | - | - | |
| 3-carboxy-4-methyl-5-pentyl-2-furanpropionate (3-CMPFP) | 1.15 | 0.57 | - | 0.60 | 1.27 | - | - | - | - | 0.77 | 0.41 | 0.18 | 0.03 | 0.43 | 0.01 | - | - | - | - | - | - | - | - | - | - | - | |
| 3-carboxy-4-methyl-5-propyl-2-furanpropanoate (CMPF) | - | - | - | - | 1.26 | 0.61 | - | - | 0.12 | 0.78 | 0.31 | 0.08 | 0.04 | - | - | 0.22 | - | 0.01 | - | - | - | - | - | 0.19 | 0.35 | - | |
| 3-decenoylcarnitine | - | - | - | 1.05 | - | 1.26 | - | 0.21 | 1.07 | 0.04 | - | - | 0.07 | - | 0.14 | 0.41 | - | 0.07 | - | 0.27 | - | - | - | - | 0.21 | 0.56 | |
| 3-formylindole | 2.65 | - | 1.10 | 1.91 | - | 0.34 | 0.64 | - | 0.27 | 0.85 | 0.40 | 0.31 | 0.09 | 0.14 | - | - | - | - | - | - | - | - | - | - | - | - | |
| 3-hydroxy-2-ethylpropionate | 0.61 | 0.69 | - | - | 0.81 | - | - | - | - | 0.03 | - | - | 0.11 | - | 0.24 | 0.05 | 0.30 | - | 0.09 | - | - | 0.07 | - | - | - | 0.53 | |
| 3-hydroxy-3-methylglutarate | - | - | - | 0.12 | 0.94 | - | 0.36 | - | - | - | - | - | - | 0.05 | - | 0.07 | - | 0.37 | 0.54 | 0.69 | 0.14 | 0.28 | 0.13 | 0.21 | 0.39 | 0.34 | |
| 3-hydroxyadipate* | 0.93 | 0.31 | 0.72 | 0.67 | - | 1.04 | 0.93 | 0.97 | 0.54 | - | - | - | - | 0.28 | - | - | - | - | 0.03 | - | - | 0.12 | 0.28 | - | 0.23 | 0.98 | |
| 3-hydroxybutyrate (BHBA) | - | 0.21 | 1.91 | 0.60 | - | 0.44 | - | 0.80 | 1.06 | - | - | - | - | - | 0.15 | 0.19 | 0.33 | 0.11 | 0.22 | 0.41 | 0.01 | 0.43 | 0.29 | 0.18 | - | 1.05 | |
| 3-hydroxydecanoate | 0.88 | 1.38 | 1.35 | 0.86 | - | 1.62 | 0.61 | 0.69 | 1.09 | - | - | - | - | - | - | 0.24 | 0.16 | - | - | - | - | 0.46 | 0.10 | 0.26 | 0.23 | 0.33 | |
| 3-hydroxydecanoylcarnitine | 0.26 | 1.14 | 1.13 | 0.82 | 0.45 | 1.27 | 1.09 | 0.15 | 0.49 | 0.04 | - | - | 0.07 | - | - | - | 0.15 | 0.14 | - | 0.11 | - | 0.28 | 0.28 | 0.37 | 0.33 | - | |
| 3-hydroxyhexanoate | 0.30 | 0.65 | 1.14 | 0.15 | - | 1.01 | - | 0.51 | 0.26 | - | - | - | 0.24 | - | - | 0.08 | 0.08 | 0.16 | 0.16 | 0.27 | - | 0.38 | 0.11 | 0.25 | 0.59 | 0.05 | |
| 3-hydroxyhippurate | - | - | - | 0.22 | 0.30 | - | - | - | - | 0.31 | 0.09 | - | 0.05 | 0.07 | 0.16 | 0.20 | - | - | 0.20 | - | - | - | 0.18 | 0.04 | - | 0.18 | |
| 3-hydroxyisobutyrate | 0.29 | 0.76 | - | 0.01 | 0.47 | - | - | - | 0.45 | - | - | - | - | - | 0.46 | 0.28 | 0.08 | - | 0.50 | 0.03 | - | 0.21 | 0.10 | 0.29 | - | - | |
| 3-hydroxylaurate | 0.65 | 1.07 | 1.87 | 1.08 | 0.17 | 1.26 | 1.14 | 0.44 | 0.18 | - | - | - | - | - | - | 0.07 | 0.13 | - | - | - | - | 0.44 | 0.09 | 0.29 | 0.13 | 0.27 | |
| 3-hydroxyoctanoate | - | 1.07 | 0.71 | 0.28 | 0.50 | 1.39 | 0.31 | 0.89 | 0.49 | - | - | - | 0.05 | - | - | 0.19 | 0.35 | 0.14 | 0.04 | 0.32 | - | 0.37 | 0.13 | 0.23 | 0.40 | - | |
| 3-hydroxypyridine sulfate | 0.16 | 0.11 | - | - | 0.85 | - | - | - | 0.93 | - | - | - | - | - | 0.20 | 0.19 | 0.21 | 0.35 | 0.36 | 0.08 | 0.02 | - | 0.68 | - | - | 0.62 | |
| 3-hydroxystachydrine* | 0.10 | - | 0.44 | - | - | - | 0.25 | 0.86 | - | 0.24 | - | - | - | 0.29 | - | 0.22 | 0.16 | 0.11 | - | 0.02 | 0.12 | - | - | 0.13 | 0.11 | 0.26 | |
| 3-hydroxystearate | 1.07 | - | 1.23 | 1.09 | 0.65 | 0.79 | 0.76 | - | - | - | - | 0.31 | - | - | 0.17 | 0.26 | 0.30 | - | 0.45 | - | 0.02 | - | 0.03 | - | - | 0.69 | |
| 3-indoxyl sulfate | - | 0.45 | 0.68 | 0.43 | - | 0.69 | - | - | 0.37 | 0.29 | 0.16 | - | - | - | 0.36 | - | 0.05 | - | 0.02 | - | 0.03 | - | - | 0.22 | 0.21 | - | |
| 3-ketosphinganine | - | 0.55 | 1.15 | 0.22 | - | 1.02 | 0.57 | 0.57 | - | - | 0.08 | 0.15 | 0.06 | - | - | 0.05 | - | - | 0.21 | 0.15 | - | 0.14 | - | - | - | - | |
| 3-methoxycatechol sulfate (1) | 1.80 | 0.73 | - | - | 0.62 | - | - | - | 0.28 | - | - | - | - | 0.20 | 0.28 | 0.05 | - | 0.00 | 0.16 | - | 0.41 | 0.40 | 0.05 | - | - | 0.45 | |
| 3-methoxytyrosine | - | - | - | 0.55 | 0.23 | - | 0.41 | - | - | 0.01 | - | 0.00 | 0.07 | 0.26 | - | - | - | 0.29 | - | 0.21 | 0.31 | 0.18 | 0.13 | 0.19 | 0.02 | - | |
| 3-methyl-2-oxobutyrate | - | 0.34 | - | 0.50 | 0.41 | - | 2.35 | - | 0.14 | 0.02 | - | 0.19 | 0.16 | - | 0.41 | - | 0.15 | - | 0.21 | - | - | - | - | 0.00 | - | 0.46 | |
| 3-methyl-2-oxovalerate | 0.47 | 0.72 | 0.32 | 0.70 | 1.28 | - | 2.52 | - | 0.41 | - | - | - | 0.20 | - | 0.29 | 0.26 | 0.28 | - | 0.32 | - | - | - | - | 0.16 | - | 0.05 | |
| 3-methyl catechol sulfate (1) | - | - | - | - | 0.80 | - | - | 0.02 | 0.94 | - | - | - | - | - | 0.23 | 0.04 | 0.02 | 0.24 | 0.27 | 0.19 | - | - | 0.62 | 0.16 | 0.20 | 0.26 | |
| 3-methylcrotonylglycine | 0.19 | - | 0.48 | 0.17 | - | 0.06 | - | 0.34 | - | - | - | - | - | - | 0.28 | 0.16 | 0.09 | 0.13 | 0.33 | 0.02 | 0.30 | - | 0.15 | 0.33 | 0.31 | - | |
| 3-methylcytidine | - | - | - | 0.01 | - | - | - | - | - | 0.15 | 0.11 | - | 0.08 | - | 0.13 | 0.00 | 0.12 | 0.48 | 0.07 | - | 0.11 | 0.17 | - | 0.01 | - | - | |
| 3-methylglutaconate | - | - | 0.11 | - | - | 0.47 | - | - | 0.46 | - | 0.08 | - | 0.01 | 0.09 | 0.09 | - | - | 0.05 | - | 0.14 | - | 0.24 | 0.11 | 0.08 | 0.30 | 1.32 | |
| 3-methylglutarate/2-methylglutarate | 0.62 | 0.25 | 0.61 | - | 0.04 | 0.29 | - | 0.62 | 0.46 | 0.19 | - | - | 0.07 | 0.22 | 0.11 | - | 0.13 | - | 0.10 | 0.12 | - | 0.16 | 0.23 | 0.36 | 0.04 | - | |
| 3-methylglutarylcarnitine (2) | - | - | 0.44 | - | - | - | 0.30 | 0.10 | 0.74 | 0.09 | 0.13 | - | - | 0.19 | 0.03 | - | - | - | - | - | 0.17 | 0.00 | 0.13 | 0.03 | 0.23 | 1.21 | |
| 3-methylhistidine | 0.41 | 0.51 | - | 0.57 | 0.76 | 0.54 | - | 0.94 | - | - | - | - | 0.00 | - | 0.00 | 0.32 | - | 0.04 | - | - | - | 0.14 | 0.36 | 0.42 | 0.11 | 0.16 | |
| 3-methylxanthine | - | 0.58 | - | - | 0.26 | - | - | 0.47 | 0.17 | 0.07 | - | 0.07 | 0.17 | 0.22 | 0.20 | - | - | - | 0.46 | - | - | - | 0.19 | - | 0.09 | - | |
| 3-phenylpropionate (hydrocinnamate) | - | 0.24 | 0.71 | - | 1.19 | - | 0.08 | - | 0.36 | 0.45 | 0.34 | - | - | - | 0.00 | 0.44 | 0.02 | - | - | - | 0.03 | - | - | - | 0.33 | - | |
| 3-sulfo-L-alanine | - | - | 1.07 | - | 0.14 | - | 0.60 | - | 0.05 | 0.22 | 0.04 | 0.17 | 0.08 | 0.22 | 0.00 | - | 0.15 | - | - | - | - | - | - | - | - | 1.02 | |
| 3-ureidopropionate | 0.37 | - | - | 0.12 | 0.11 | - | 0.66 | - | - | 0.29 | 0.32 | 0.05 | 0.31 | 0.22 | 0.48 | - | - | - | - | 0.06 | 0.15 | - | - | - | 0.07 | - | |
| 4-acetamidobutanoate | 0.33 | 0.58 | 0.21 | 0.29 | 0.18 | - | 0.13 | - | - | 0.18 | - | - | 0.09 | 0.30 | - | 0.11 | - | - | 0.18 | 0.28 | 0.17 | 0.12 | 0.14 | 0.19 | 0.36 | 0.08 | |
| 4-allylphenol sulfate | 0.25 | 0.09 | - | - | 0.41 | - | 0.76 | - | - | 0.55 | 0.03 | - | - | 0.06 | - | 0.00 | - | 0.32 | 0.10 | 0.07 | 0.04 | - | 0.01 | 0.14 | - | - | |
| 4-cholesten-3-one | - | - | - | - | - | - | - | - | - | - | - | - | - | - | 0.19 | 0.12 | 0.16 | 0.52 | 0.41 | 0.91 | 0.59 | 0.35 | 0.63 | 0.09 | 0.37 | - | |
| 4-ethylcatechol sulfate | - | 0.15 | - | - | 0.73 | - | - | - | 1.09 | - | - | - | - | - | 0.37 | 0.12 | 0.10 | 0.41 | - | 0.22 | 0.05 | - | 0.46 | 0.20 | - | 0.11 | |
| 4-ethylphenyl sulfate | 0.84 | - | - | - | 0.78 | - | - | - | 0.72 | 0.26 | 0.01 | 0.03 | - | - | 0.04 | 0.17 | - | 0.15 | 0.14 | 0.09 | - | - | - | 0.18 | 0.24 | 0.02 | |
| 4-guanidinobutanoate | 0.35 | - | 0.09 | - | 1.10 | 0.75 | - | 0.48 | - | - | 0.00 | 0.07 | - | 0.13 | 0.09 | - | - | 0.41 | 0.19 | 0.05 | - | - | - | 0.02 | 0.31 | - | |
| 4-hydroxy-2-oxoglutaric acid | 0.56 | 0.24 | - | 0.97 | 0.69 | 0.77 | 2.07 | - | - | - | - | 0.11 | 0.09 | - | - | - | - | - | 0.18 | - | 0.06 | 0.24 | 0.10 | - | 0.30 | 0.04 | |
| 4-hydroxychlorothalonil | - | - | - | - | 0.92 | - | - | - | 0.64 | 0.80 | 0.46 | 0.17 | 0.02 | 0.09 | 0.21 | - | - | 0.00 | - | - | - | - | - | - | - | - | |
| 4-hydroxyglutamate | - | - | - | - | - | 0.02 | - | - | - | - | - | - | 0.05 | - | 0.16 | 0.07 | 0.30 | 0.12 | 0.45 | 0.37 | 0.40 | 0.62 | 0.44 | 0.31 | 0.12 | 0.73 | |
| 4-hydroxyhippurate | 0.25 | - | 0.20 | 1.31 | 0.75 | - | - | 0.24 | - | - | - | - | - | 0.24 | - | 0.21 | - | 0.08 | 0.29 | 0.17 | - | 0.37 | 0.21 | - | - | - | |
| 4-hydroxyphenylpyruvate | 0.91 | 0.44 | - | 0.73 | 0.28 | 1.19 | 0.84 | - | 0.81 | - | - | - | - | - | 0.26 | 0.62 | 0.10 | - | 0.45 | 0.07 | 0.39 | - | - | - | - | 0.02 | |
| 4-imidazoleacetate | - | - | - | 0.70 | - | - | 0.10 | - | - | 0.27 | 0.16 | 0.00 | - | 0.30 | 0.09 | - | - | 0.32 | - | 0.02 | 0.20 | 0.05 | 0.09 | - | - | - | |
| 4-methoxyphenol sulfate | - | - | 1.11 | 0.19 | 0.76 | - | - | - | 0.10 | 0.20 | 0.10 | 0.07 | - | 0.18 | - | 0.15 | - | 0.01 | 0.17 | - | - | 0.07 | - | 0.32 | - | - | |
| 4-methyl-2-oxopentanoate | 0.46 | 0.55 | - | 0.73 | 1.29 | - | 2.91 | - | 0.42 | - | - | 0.09 | 0.10 | - | 0.23 | 0.21 | 0.17 | - | 0.27 | - | 0.00 | - | - | 0.16 | - | - | |
| 4-methylcatechol sulfate | - | 0.96 | - | 0.47 | 0.03 | - | - | - | 0.18 | 0.34 | 0.14 | 0.05 | - | - | 0.34 | - | 0.18 | - | - | 0.39 | - | - | - | 0.02 | 0.20 | - | |
| 4-vinylguaiacol sulfate | - | - | - | - | 0.89 | - | - | - | 0.30 | - | - | 0.00 | - | - | 0.21 | 0.53 | 0.15 | 0.40 | 0.46 | 0.20 | 0.04 | - | 0.45 | - | - | 0.23 | |
| 4-vinylphenol sulfate | - | - | - | - | 0.50 | - | 0.95 | - | 0.09 | - | - | - | 0.08 | 0.01 | 0.18 | 0.20 | - | 0.45 | 0.19 | - | 0.12 | - | 0.17 | - | 0.08 | - | |
| 5,6-dihydrothymine | 2.27 | 0.43 | 1.09 | 0.35 | 0.20 | 0.89 | 1.51 | 0.57 | 0.13 | 0.31 | 0.08 | 0.08 | 0.26 | 0.04 | - | - | - | - | - | - | 0.23 | 0.27 | - | 0.05 | 0.02 | - | |
| 5,6-dihydrouridine | 0.42 | - | - | 0.73 | - | 0.60 | 0.70 | 0.61 | 1.06 | 0.10 | 0.03 | - | - | 0.07 | 0.12 | - | - | - | 0.02 | - | 0.34 | 0.12 | - | 0.56 | 0.03 | 0.50 | |
| 5-acetylamino-6-amino-3-methyluracil | 0.73 | 0.35 | - | - | 0.09 | - | - | 0.63 | 0.52 | 0.03 | - | 0.13 | 0.07 | - | 0.12 | 0.21 | - | - | 0.04 | 0.02 | 0.20 | - | 0.20 | - | - | 0.45 | |
| 5alpha-androstan-3alpha,17alpha-diol disulfate | - | - | - | - | - | - | - | - | - | - | - | - | - | - | 0.05 | - | 0.18 | 0.25 | 0.09 | 0.73 | 0.58 | 0.79 | 0.76 | 1.27 | 0.87 | 0.18 | |
| 5alpha-androstan-3alpha,17alpha-diol monosulfate | - | - | - | - | - | - | - | - | - | 0.22 | 0.03 | - | 0.02 | 0.05 | 0.19 | - | 0.13 | 0.12 | - | - | 0.60 | 0.06 | 0.07 | 0.61 | 0.18 | 0.61 | |
| 5alpha-androstan-3alpha,17beta-diol disulfate | - | 0.15 | - | - | - | 0.92 | - | - | - | - | - | - | - | - | 0.12 | - | - | 0.21 | 0.02 | 0.67 | 0.52 | 0.77 | 0.62 | 1.48 | 1.25 | 1.28 | |
| 5alpha-androstan-3beta,17alpha-diol disulfate | - | 0.07 | - | - | - | - | - | - | - | 0.57 | - | - | - | - | 0.27 | 0.09 | 0.13 | 0.14 | 0.03 | 0.06 | 0.09 | 0.21 | - | 0.43 | 0.54 | - | |
| 5alpha-androstan-3beta,17beta-diol disulfate | 1.89 | 1.01 | - | 0.70 | - | 1.15 | - | - | - | 0.20 | - | - | - | 0.13 | 0.26 | - | - | 0.11 | - | 0.16 | - | 0.23 | - | 0.72 | 0.44 | 0.92 | |
| 5alpha-pregnan-3beta,20alpha-diol disulfate | - | 0.03 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | 0.15 | 0.55 | 0.46 | 0.52 | 0.38 | 0.56 | 0.77 | 0.97 | 1.04 | 0.17 | |
| 5alpha-pregnan-3beta,20alpha-diol monosulfate (2) | - | 0.38 | 0.71 | - | 0.18 | - | - | - | - | 0.22 | - | - | - | 0.09 | - | - | - | 0.42 | 0.30 | 0.14 | 0.44 | - | 0.40 | 0.80 | 0.83 | - | |
| 5alpha-pregnan-3beta,20beta-diol monosulfate (1) | - | 0.07 | - | - | - | - | - | - | - | 0.02 | - | - | - | - | - | - | 0.11 | 0.71 | 0.28 | 0.44 | 0.10 | 0.49 | 0.46 | 0.92 | 0.77 | 0.28 | |
| 5alpha-pregnan-3beta-ol,20-one sulfate | - | - | 0.25 | - | - | - | - | - | - | - | - | - | - | 0.07 | - | - | 0.04 | 0.44 | 0.40 | 0.39 | 0.63 | 0.26 | 0.83 | 0.97 | 1.04 | - | |
| 5alpha-pregnan-diol disulfate | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | 0.01 | 0.12 | 0.62 | 0.29 | 0.63 | 0.30 | 0.76 | 0.66 | 1.03 | 0.64 | 0.26 | |
| 5-dodecenoate (12:1n7) | 0.66 | 0.63 | 1.84 | 1.17 | 0.40 | 1.39 | 0.49 | 0.55 | 0.46 | - | - | - | - | - | - | 0.12 | 0.13 | 0.19 | 0.12 | 0.33 | 0.16 | 0.53 | 0.13 | 0.51 | 0.07 | 0.82 | |
| 5-dodecenoylcarnitine (C12:1) | 1.10 | 1.51 | 1.77 | 0.54 | 0.19 | 1.30 | 0.50 | 0.75 | 0.72 | - | - | - | 0.14 | - | - | - | 0.04 | 0.23 | - | 0.01 | 0.02 | 0.39 | 0.12 | 0.69 | 0.24 | - | |
| 5-(galactosylhydroxy)-L-lysine | 0.67 | - | - | - | - | - | - | 1.12 | - | - | 0.04 | - | - | 0.14 | 0.05 | - | 0.23 | - | 0.44 | 0.30 | 0.43 | 0.36 | 0.42 | 0.05 | - | 0.21 | |
| 5-hydroxylysine | - | 0.83 | - | 0.61 | 0.16 | 0.75 | 0.18 | 0.05 | - | - | - | - | 0.00 | 0.01 | - | 0.24 | 0.31 | - | 0.15 | 0.43 | 0.23 | 0.42 | - | - | - | 0.09 | |
| 5-methylthioadenosine (MTA) | - | 0.20 | - | - | - | - | - | 0.74 | 0.16 | 0.02 | 0.29 | - | 0.12 | - | - | 0.01 | 0.17 | 0.32 | - | 0.24 | 0.06 | 0.12 | - | 0.15 | - | - | |
| 5-methylthioribose | 1.75 | - | - | - | - | - | - | - | - | 0.19 | 0.28 | 0.10 | 0.06 | 0.38 | 0.19 | - | 0.13 | 0.05 | - | - | 0.11 | - | - | - | - | - | |
| 5-methyluridine (ribothymidine) | 1.46 | - | 0.98 | 0.53 | - | 0.29 | - | 0.81 | - | 0.25 | 0.20 | 0.24 | 0.33 | 0.15 | 0.20 | 0.09 | - | 0.08 | - | - | - | - | - | - | - | - | |
| 5-oxoproline | 0.81 | 0.50 | 0.91 | 0.83 | 0.91 | 2.19 | 3.02 | - | 0.38 | 0.32 | - | 0.11 | - | 0.18 | - | 0.09 | - | - | - | - | 0.20 | - | 0.24 | - | 0.33 | - | |
| 6-bromotryptophan | 1.96 | - | - | 0.23 | - | 0.32 | - | 0.20 | 0.38 | 0.39 | 0.19 | 0.06 | 0.31 | 0.29 | 0.11 | - | - | 0.14 | - | - | - | - | - | 0.28 | - | - | |
| 6-hydroxyindole sulfate | 0.43 | 0.60 | 0.95 | 0.65 | - | 0.65 | - | - | 0.41 | 0.32 | 0.18 | - | - | - | 0.18 | - | 0.02 | - | - | - | 0.00 | - | - | 0.16 | 0.25 | - | |
| 6-oxopiperidine-2-carboxylate | 0.94 | - | 0.31 | 1.08 | 0.71 | 0.13 | 0.70 | 0.49 | - | 0.08 | - | 0.09 | - | 0.06 | - | 0.16 | - | 0.04 | 0.04 | - | - | - | 0.08 | 0.38 | - | 0.26 | |
| 7-HOCA | 2.14 | 0.62 | 1.67 | 0.59 | - | 1.67 | - | 0.69 | 0.19 | - | 0.15 | - | 0.23 | - | - | - | - | - | - | - | 0.34 | 0.21 | - | 0.54 | 0.23 | 0.24 | |
| 7-methylguanine | 0.57 | 0.50 | - | 0.12 | - | - | 0.12 | - | 0.12 | - | - | - | - | - | 0.14 | - | - | - | - | 0.29 | 0.25 | 0.42 | 0.37 | 0.47 | 0.15 | 0.39 | |
| 7-methylurate | - | 0.83 | - | 0.05 | 0.31 | - | - | 0.60 | 0.27 | - | 0.13 | - | 0.15 | 0.22 | 0.13 | - | - | - | 0.44 | - | 0.25 | - | 0.17 | 0.12 | - | - | |
| 7-methylxanthine | - | 0.58 | - | - | 0.50 | - | - | 0.46 | 0.42 | 0.13 | 0.05 | 0.10 | 0.18 | 0.18 | 0.17 | - | - | - | 0.33 | - | 0.08 | - | 0.09 | - | 0.18 | - | |
| 8-hydroxyoctanoate | 1.80 | 1.17 | 0.94 | - | - | 1.43 | 1.73 | 0.87 | 0.06 | - | 0.18 | 0.18 | 0.04 | 0.45 | - | 0.02 | - | - | - | - | 0.12 | - | 0.00 | - | - | 0.02 | |
| 8-methoxykynurenate | - | 1.07 | 0.57 | 0.50 | 0.83 | 0.76 | 0.00 | 0.52 | - | - | - | - | - | - | - | 0.11 | - | 0.65 | 0.12 | 0.41 | - | 0.12 | 0.33 | 1.02 | 0.10 | 0.47 | |
| 9,10-DiHOME | - | 0.62 | 1.33 | 0.24 | 1.37 | 1.00 | 0.33 | 1.23 | - | - | - | 0.09 | - | - | 0.05 | 0.35 | - | 0.31 | 0.26 | 0.22 | 0.13 | 0.16 | 0.16 | - | - | - | |
| 9-hydroxystearate | 1.02 | - | 2.46 | 1.79 | 0.55 | 1.58 | 0.79 | 0.37 | - | - | - | 0.04 | - | - | - | 0.05 | - | - | 0.24 | 0.14 | 0.32 | 0.30 | 0.04 | 0.42 | - | 0.79 | |
| acetoacetate | - | - | 0.69 | - | - | - | - | 0.38 | - | - | 0.01 | - | - | - | 0.23 | 0.26 | 0.31 | 0.36 | - | 0.32 | 0.01 | - | - | 0.31 | - | 0.64 | |
| acetylcarnitine (C2) | 1.35 | 1.36 | 2.43 | 1.11 | 0.81 | 1.41 | 1.26 | 0.76 | 1.16 | - | - | 0.08 | - | - | - | 0.21 | 0.08 | 0.01 | 0.06 | - | - | - | 0.06 | - | 0.21 | - | |
| aconitate [cis or trans] | - | - | - | - | 0.59 | 0.77 | 0.83 | - | - | - | - | - | - | - | 0.22 | 0.16 | 0.20 | - | 0.27 | 0.19 | 0.20 | 0.46 | 0.23 | 0.59 | - | 0.14 | |
| adenine | - | - | - | - | - | - | - | 0.67 | - | 0.14 | 0.34 | - | 0.17 | - | - | - | 0.14 | 0.47 | - | 0.06 | - | 0.16 | - | 0.23 | - | - | |
| adipate | 1.50 | 0.85 | 0.43 | 0.01 | 0.61 | 1.00 | 1.71 | 0.59 | - | - | - | 0.16 | - | 0.07 | - | - | - | - | - | 0.05 | 0.08 | 0.16 | 0.23 | - | 0.22 | 0.32 | |
| adipoylcarnitine (C6-DC) | - | - | - | - | - | 1.31 | 0.41 | 0.57 | - | - | - | - | 0.03 | - | 0.11 | 0.05 | 0.10 | - | 0.44 | 0.13 | 0.10 | 0.52 | 0.33 | - | 0.14 | 0.23 | |
| adrenate (22:4n6) | - | 1.11 | 2.21 | 1.59 | - | 1.38 | 0.91 | 0.27 | - | - | - | - | 0.08 | - | - | - | 0.14 | 0.17 | - | 0.22 | - | 0.22 | 0.17 | 0.38 | - | 0.82 | |
| alanine | 0.76 | - | - | - | 1.35 | 0.93 | 2.66 | - | 0.06 | 0.08 | - | 0.07 | 0.02 | 0.09 | 0.34 | 0.14 | 0.22 | - | 0.21 | - | 0.23 | - | - | - | - | - | |
| allantoin | - | - | 1.62 | 0.00 | 0.56 | - | 0.76 | - | 0.20 | - | - | 0.09 | - | 0.11 | 0.14 | - | - | - | 0.17 | - | 0.20 | - | - | 0.08 | 0.36 | 1.56 | |
| alliin | 0.15 | - | - | 0.83 | - | - | - | - | 0.66 | 0.08 | 0.36 | - | - | 0.06 | 0.05 | - | - | 0.02 | - | - | - | 0.11 | 0.53 | - | 0.30 | 0.06 | |
| alpha-hydroxyisocaproate | 1.67 | 0.61 | 1.09 | 1.03 | 1.00 | 1.42 | 1.97 | - | 0.38 | - | - | 0.07 | 0.01 | 0.08 | - | - | - | - | 0.01 | 0.07 | 0.03 | 0.04 | 0.23 | - | 0.42 | - | |
| alpha-hydroxyisovalerate | 1.06 | 0.69 | 0.44 | 0.25 | 0.08 | 0.19 | 0.65 | - | 0.64 | 0.09 | 0.12 | 0.13 | 0.05 | - | 0.07 | - | - | - | 0.41 | - | - | - | - | 0.05 | - | - | |
| alpha-ketoglutaramate* | 0.41 | - | - | 2.25 | 0.08 | - | 3.11 | 0.03 | 0.04 | 0.08 | - | - | - | 0.11 | - | - | - | - | 0.15 | - | 0.40 | 0.08 | 0.43 | 0.17 | 0.41 | - | |
| alpha-ketoglutarate | - | 0.22 | - | 0.28 | 0.78 | 0.03 | 2.99 | - | - | - | - | 0.22 | - | - | 0.34 | 0.08 | 0.06 | - | 0.15 | - | 0.03 | - | 0.21 | - | 0.20 | 1.03 | |
| alpha-tocopherol | - | 0.04 | 0.24 | - | - | - | - | 0.11 | 0.03 | - | 0.18 | 0.09 | 0.21 | 0.01 | 0.29 | 0.05 | 0.11 | 0.12 | 0.07 | 0.06 | - | 0.01 | - | 0.06 | - | - | |
| AMP | 0.05 | - | 0.60 | 1.09 | - | - | - | - | - | 0.28 | 0.41 | - | 0.11 | 0.01 | - | - | 0.00 | 0.14 | - | - | - | 0.33 | - | 0.45 | 0.10 | - | |
| androstenediol (3alpha, 17alpha) monosulfate (2) | 2.12 | 0.65 | 0.11 | 1.15 | - | - | 0.50 | - | 1.01 | - | 0.29 | 0.00 | - | - | - | - | 0.14 | - | - | 0.40 | 0.27 | 0.24 | - | 0.51 | 0.08 | 0.49 | |
| androstenediol (3alpha, 17alpha) monosulfate (3) | 1.74 | 1.05 | - | 0.27 | - | - | 0.24 | - | - | 0.27 | 0.29 | 0.01 | - | 0.19 | 0.28 | - | - | 0.16 | - | 0.09 | - | - | - | 0.35 | - | 0.48 | |
| androstenediol (3beta,17beta) disulfate (1) | 2.39 | 1.20 | - | 0.88 | - | 0.42 | 0.05 | - | 0.06 | - | - | - | - | - | 0.16 | - | - | 0.26 | - | 0.25 | - | 0.34 | 0.12 | 0.69 | 0.39 | 1.38 | |
| androstenediol (3beta,17beta) disulfate (2) | 1.09 | 0.94 | - | 0.24 | - | - | - | - | - | - | - | - | - | - | - | - | - | 0.43 | - | 0.78 | 0.23 | 0.76 | 0.48 | 1.32 | 0.81 | 0.97 | |
| androstenediol (3beta,17beta) monosulfate (1) | 2.72 | 1.69 | 1.42 | 1.75 | 0.59 | 0.49 | 0.76 | - | 0.44 | 0.26 | 0.57 | 0.26 | 0.15 | - | 0.20 | - | - | - | - | - | - | - | - | - | - | 0.09 | |
| andro steroid monosulfate C19H28O6S (1)* | 0.27 | 0.35 | - | 0.35 | - | - | 0.02 | 0.08 | 0.28 | - | - | - | - | - | - | - | 0.02 | 0.22 | 0.48 | 0.50 | 0.56 | 0.73 | 0.83 | 1.14 | 0.95 | 0.83 | |
| androsterone glucuronide | 1.84 | 0.92 | 1.19 | 0.96 | 0.19 | - | 0.47 | - | 0.17 | 0.09 | 0.34 | 0.04 | 0.03 | 0.02 | - | - | - | 0.11 | - | 0.41 | - | 0.01 | - | 0.23 | - | 0.07 | |
| androsterone sulfate | 1.36 | 1.22 | 0.35 | 0.67 | - | - | - | - | - | 0.36 | 0.33 | 0.05 | - | 0.33 | 0.42 | - | - | 0.26 | - | - | - | - | - | 0.07 | - | 0.38 | |
| anthranilate | 0.35 | 0.11 | 0.68 | 0.60 | 0.20 | 0.73 | 0.14 | 0.22 | 0.09 | 0.49 | 0.32 | - | - | 0.01 | - | - | - | 0.24 | - | - | 0.01 | 0.11 | - | 0.19 | 0.46 | - | |
| arabinose | - | - | 0.70 | - | 0.56 | 0.45 | - | - | - | - | 0.05 | - | 0.16 | 0.17 | 0.16 | - | 0.07 | 0.12 | - | 0.17 | 0.37 | - | - | - | 0.08 | 0.63 | |
| arabitol/xylitol | 1.56 | - | - | 0.26 | 0.48 | - | - | 0.25 | - | - | - | - | - | 0.04 | 0.10 | - | - | - | 0.16 | 0.05 | 0.58 | 0.43 | 0.44 | 0.13 | - | 0.33 | |
| arabonate/xylonate | 0.31 | - | - | - | - | - | - | 0.68 | - | 0.11 | - | 0.06 | 0.27 | 0.08 | - | - | 0.12 | - | 0.40 | - | 0.46 | - | - | - | - | 0.32 | |
| arachidate (20:0) | - | - | 1.02 | 0.08 | 0.68 | - | 0.13 | - | - | 0.22 | - | 0.08 | 0.24 | - | 0.37 | 0.04 | - | - | 0.06 | - | - | 0.01 | - | 0.16 | - | - | |
| arachidonate (20:4n6) | - | 0.81 | 1.38 | 1.56 | - | 0.84 | 1.36 | 0.31 | - | 0.08 | 0.36 | 0.05 | - | 0.06 | - | - | 0.09 | 0.34 | - | - | - | - | 0.02 | 0.48 | - | 0.43 | |
| arachidonoylcarnitine (C20:4) | 1.13 | - | 1.38 | 1.04 | 0.90 | 1.55 | 2.52 | - | 0.38 | 0.27 | 0.29 | 0.28 | - | 0.01 | - | - | - | - | - | - | 0.17 | - | 0.01 | - | 0.23 | - | |
| arachidonoylcholine | - | 0.21 | 0.66 | - | - | 0.82 | - | 0.69 | - | 0.34 | 0.52 | 0.11 | 0.06 | 0.28 | - | - | 0.01 | 0.37 | - | - | - | - | - | - | - | 0.12 | |
| argininate* | 1.05 | 0.93 | 0.09 | 0.86 | 0.45 | 0.51 | 0.53 | 0.64 | - | - | 0.21 | 0.41 | - | - | 0.23 | 0.29 | - | 0.18 | - | - | - | - | - | - | 0.09 | - | |
| arginine | - | 0.04 | 0.99 | - | - | 0.52 | - | 0.05 | 0.39 | - | 0.15 | - | 0.20 | 0.04 | 0.05 | 0.20 | 0.35 | 0.24 | 0.14 | 0.29 | - | - | - | 0.09 | - | - | |
| asparagine | 0.31 | 0.84 | 1.34 | 0.82 | 1.59 | 1.89 | 1.14 | - | 0.37 | 0.16 | - | 0.22 | - | 0.10 | 0.25 | 0.36 | 0.08 | - | - | - | - | - | - | - | - | - | |
| aspartate | 1.04 | 0.08 | 1.47 | 0.35 | 0.25 | 1.95 | 0.90 | - | 0.14 | - | 0.03 | 0.16 | - | 0.08 | 0.02 | - | - | - | 0.09 | 0.28 | 0.42 | - | - | - | 0.26 | - | |
| azelaoyltaurine | 1.50 | 1.15 | 1.28 | 0.55 | 0.09 | 1.01 | 2.00 | 0.76 | 0.35 | - | - | 0.00 | - | 0.11 | - | - | 0.27 | - | 0.21 | - | 0.03 | 0.04 | 0.06 | - | - | 0.50 | |
| azelate (nonanedioate; C9) | 0.85 | 0.72 | 0.64 | - | 0.16 | 0.86 | 1.31 | 0.28 | 0.25 | - | 0.12 | 0.18 | - | 0.35 | - | 0.11 | 0.05 | - | 0.05 | - | 0.13 | - | 0.06 | - | 0.14 | 0.12 | |
| behenoylcarnitine (C22)* | 0.23 | 0.42 | 0.41 | 0.19 | 0.69 | - | 1.18 | 0.11 | - | 0.24 | 0.29 | 0.11 | 0.21 | 0.16 | 0.11 | - | - | - | 0.14 | - | - | - | - | - | - | - | |
| behenoyl dihydrosphingomyelin (d18:0/22:0)* | - | 0.50 | - | 0.47 | - | - | 0.40 | - | - | 0.48 | 0.13 | - | - | - | 0.05 | - | 0.43 | 0.09 | - | 0.18 | - | 0.07 | - | 0.45 | 0.24 | - | |
| behenoyl sphingomyelin (d18:1/22:0)* | - | - | - | 0.34 | - | 0.31 | - | - | - | 0.73 | 0.51 | 0.01 | 0.16 | - | 0.28 | - | 0.00 | - | - | 0.05 | - | - | - | 0.20 | 0.03 | - | |
| benzoate | 0.50 | - | 0.33 | - | 0.33 | 0.72 | 0.11 | - | 0.62 | 0.43 | 0.30 | 0.10 | 0.39 | 0.13 | 0.24 | - | - | - | - | - | 0.19 | - | - | - | - | - | |
| beta-alanine | 0.44 | 0.15 | - | - | 1.12 | 1.07 | 0.69 | 0.22 | 0.37 | - | 0.05 | 0.18 | 0.22 | - | 0.13 | 0.26 | 0.11 | - | 0.01 | - | 0.09 | - | 0.14 | 0.10 | - | - | |
| beta-citrylglutamate | 1.08 | 0.28 | - | - | 0.54 | 0.75 | 2.42 | - | - | 0.12 | - | 0.23 | - | - | - | 0.11 | 0.06 | - | 0.02 | - | 0.48 | - | 0.10 | - | 0.16 | 0.31 | |
| beta-cryptoxanthin | - | 0.36 | - | - | - | - | - | - | - | 0.31 | 0.17 | 0.12 | 0.07 | 0.31 | - | 0.10 | - | - | 0.01 | 0.01 | - | - | - | - | 0.21 | - | |
| beta-hydroxyisovalerate | 0.74 | 0.61 | 2.09 | - | - | 0.27 | 1.31 | 0.82 | 0.19 | - | - | 0.09 | - | 0.14 | 0.10 | - | 0.05 | - | - | 0.08 | 0.23 | - | - | - | 0.07 | - | |
| betaine | 0.87 | - | 0.52 | 0.36 | 0.73 | - | - | - | - | 0.08 | 0.20 | 0.04 | 0.18 | 0.08 | 0.14 | - | - | 0.43 | - | - | - | 0.09 | - | 0.02 | - | - | |
| beta-sitosterol | - | 0.54 | 1.32 | - | 0.36 | - | 0.58 | - | - | 0.12 | - | 0.16 | 0.23 | 0.18 | 0.13 | - | - | 0.27 | - | - | - | - | - | - | - | - | |
| bilirubin | 0.40 | 0.17 | 0.68 | 0.38 | - | 0.22 | - | 0.42 | 0.16 | 0.18 | 0.01 | 0.13 | 0.31 | 0.13 | - | 0.06 | - | 0.37 | - | 0.07 | - | - | - | 0.04 | - | - | |
| bilirubin (E,E)* | - | - | - | 1.02 | - | - | 0.05 | 0.18 | - | - | - | 0.03 | 0.30 | 0.08 | - | 0.06 | 0.04 | 0.59 | - | 0.18 | 0.35 | - | - | 0.07 | - | - | |
| bilirubin (E,Z or Z,E)* | - | 0.06 | 0.38 | - | - | 0.07 | - | 0.43 | - | 0.21 | 0.03 | 0.13 | 0.40 | 0.05 | 0.32 | - | - | 0.44 | - | - | - | - | - | 0.21 | - | - | |
| biliverdin | 1.75 | - | 1.61 | 2.65 | 0.96 | 0.05 | 2.28 | - | 0.80 | 0.47 | - | 0.06 | 0.02 | - | - | - | - | 0.10 | - | - | - | 0.16 | - | - | 0.30 | - | |
| branched chain 14:0 dicarboxylic acid | - | 0.03 | 1.24 | - | 0.80 | - | - | 0.21 | - | 0.41 | 0.24 | 0.09 | - | 0.34 | - | 0.31 | 0.13 | 0.05 | - | - | - | - | - | - | 0.23 | 0.03 | |
| bromine | 0.86 | - | 0.60 | 0.11 | - | 0.00 | - | - | 0.33 | 0.91 | 0.42 | 0.32 | 0.02 | 0.06 | 0.41 | 0.09 | - | - | - | - | - | - | - | - | - | - | |
| butyrylcarnitine (C4) | 1.56 | 0.74 | - | 1.42 | 0.41 | - | - | 0.45 | 0.52 | - | 0.13 | 0.06 | - | - | 0.15 | 0.09 | 0.32 | - | 0.16 | - | 0.08 | 0.08 | - | - | - | 0.49 | |
| caffeic acid sulfate | - | 0.78 | - | - | 1.05 | - | - | 0.24 | 0.60 | - | - | - | - | - | 0.06 | 0.54 | - | 0.45 | 0.55 | 0.04 | 0.13 | - | 0.60 | - | - | - | |
| caffeine | - | 0.04 | - | - | - | 0.31 | - | 0.32 | 0.05 | - | - | 0.01 | - | - | 0.12 | 0.21 | - | 0.09 | 0.08 | 0.16 | 0.18 | 0.30 | 0.58 | - | 0.19 | - | |
| campesterol | - | 0.87 | 1.36 | 0.34 | 0.22 | - | 0.34 | - | - | 0.17 | 0.12 | 0.27 | 0.05 | 0.07 | 0.25 | - | - | 0.16 | - | - | - | - | 0.05 | - | - | - | |
| caprate (10:0) | 1.00 | 0.76 | 2.15 | 0.15 | 1.67 | 1.28 | 0.30 | 0.72 | - | - | - | - | - | 0.04 | 0.01 | 0.12 | 0.20 | 0.12 | 0.41 | 0.26 | 0.41 | 0.03 | - | 0.05 | - | 0.20 | |
| caproate (6:0) | 3.54 | 0.50 | 2.98 | 1.19 | 0.87 | 0.23 | 1.49 | 1.65 | - | 0.10 | - | 0.02 | 0.06 | 0.52 | - | - | - | - | - | - | 0.04 | 0.25 | - | - | - | 0.09 | |
| caprylate (8:0) | 2.61 | 0.33 | 1.06 | 0.30 | 1.53 | 0.81 | 0.60 | 0.88 | - | - | - | - | - | 0.13 | - | 0.02 | 0.10 | - | 0.18 | 0.10 | 0.38 | 0.01 | - | - | - | 0.83 | |
| carboxyethyl-GABA | 0.82 | - | 0.60 | 0.63 | - | 0.23 | 2.34 | 0.23 | 0.33 | 0.14 | - | 0.03 | 0.01 | 0.14 | 0.13 | 0.09 | 0.03 | - | - | - | 0.04 | 0.16 | - | - | - | 0.04 | |
| carnitine | 0.84 | - | 0.23 | 0.37 | - | - | - | 0.27 | 0.62 | 0.08 | 0.34 | 0.18 | 0.12 | - | 0.28 | - | 0.11 | 0.27 | 0.04 | - | - | - | - | 0.22 | - | - | |
| carotene diol (1) | - | 0.35 | - | 0.47 | 0.42 | - | - | - | - | 0.53 | 0.27 | 0.03 | - | 0.16 | - | 0.06 | 0.17 | - | - | 0.05 | - | - | - | - | 0.28 | - | |
| carotene diol (2) | - | 0.50 | - | 0.91 | 1.38 | - | - | - | - | 0.68 | 0.29 | 0.08 | - | 0.14 | - | - | 0.04 | - | - | - | - | - | - | 0.04 | 0.46 | - | |
| carotene diol (3) | - | 1.05 | - | 0.81 | - | - | - | - | - | - | 0.19 | 0.01 | - | 0.19 | - | 0.13 | 0.18 | 0.07 | - | - | 0.01 | 0.20 | - | 0.05 | 0.21 | - | |
| catechol sulfate | - | - | - | - | 0.81 | - | - | - | 0.63 | 0.30 | 0.08 | - | - | - | 0.45 | 0.15 | - | - | - | - | 0.26 | - | 0.11 | - | - | - | |
| ceramide (d16:1/24:1, d18:1/22:1)* | 0.13 | - | 0.45 | 0.15 | 0.12 | - | - | - | 0.63 | 0.24 | 0.34 | 0.26 | - | - | 0.17 | - | 0.12 | 0.02 | 0.27 | - | - | - | - | - | - | - | |
| ceramide (d18:1/14:0, d16:1/16:0)* | 0.06 | 0.61 | 0.20 | - | - | 0.18 | - | - | 0.42 | 0.21 | 0.26 | - | 0.24 | 0.04 | 0.44 | - | - | - | - | - | - | - | - | 0.06 | - | 0.60 | |
| ceramide (d18:1/20:0, d16:1/22:0, d20:1/18:0)* | - | 0.62 | - | - | - | - | - | - | 0.16 | 0.27 | 0.10 | 0.02 | 0.16 | - | 0.33 | - | - | - | - | 0.13 | 0.23 | 0.18 | - | 0.06 | 0.00 | 0.25 | |
| ceramide (d18:2/24:1, d18:1/24:2)* | 0.44 | - | 1.08 | 0.11 | - | - | 0.23 | - | 0.71 | - | 0.10 | 0.08 | 0.21 | - | 0.32 | - | 0.09 | - | 0.03 | 0.23 | 0.20 | 0.27 | - | - | - | 0.23 | |
| cerotoylcarnitine (C26)* | - | - | 0.23 | 0.26 | - | 0.00 | 0.00 | 0.71 | - | 0.33 | 0.14 | 0.13 | 0.08 | 0.21 | 0.12 | - | 0.03 | - | 0.10 | 0.17 | - | - | - | - | - | - | |
| C-glycosyltryptophan | 1.34 | 0.12 | - | 0.79 | - | - | 2.28 | 0.64 | - | - | - | 0.06 | - | 0.01 | - | - | 0.08 | - | - | 0.13 | 0.42 | 0.30 | 0.34 | 0.48 | 0.18 | 0.87 | |
| cholate | 0.94 | - | 0.26 | 0.41 | - | 1.22 | - | - | - | - | 0.11 | 0.03 | 0.24 | - | - | 0.18 | 0.10 | - | 0.13 | - | - | 0.24 | - | - | 0.18 | 0.55 | |
| cholesterol | - | - | 0.31 | - | - | 0.38 | - | - | - | 0.22 | 0.34 | 0.02 | 0.13 | - | 0.35 | - | 0.05 | 0.18 | 0.08 | 0.42 | - | 0.05 | - | - | 0.22 | - | |
| choline | 0.60 | 0.32 | 1.59 | 0.05 | 0.76 | 1.15 | 1.52 | - | - | 0.12 | 0.03 | 0.18 | - | 0.25 | 0.02 | 0.04 | - | - | - | 0.01 | 0.04 | - | 0.11 | - | 0.18 | - | |
| cinnamoylglycine | - | 0.25 | 1.66 | - | 0.02 | - | - | - | 0.80 | 0.18 | 0.07 | - | - | - | - | 0.34 | 0.25 | 0.07 | - | 0.13 | 0.35 | - | 0.21 | - | 0.69 | 0.30 | |
| cis-4-decenoate (10:1n6)* | 0.66 | 0.99 | 1.62 | 1.24 | - | 0.99 | 0.90 | 0.86 | 0.14 | - | - | - | 0.03 | - | - | - | 0.11 | 0.12 | - | 0.05 | - | 0.55 | 0.09 | 0.51 | - | - | |
| cis-4-decenoylcarnitine (C10:1) | 0.98 | 1.35 | 1.24 | 0.51 | 0.06 | 1.06 | 0.96 | 0.83 | 0.05 | - | - | - | 0.11 | - | - | - | 0.24 | 0.29 | - | - | 0.00 | 0.43 | 0.08 | 0.77 | 0.19 | - | |
| citraconate/glutaconate | 2.04 | - | - | 0.82 | 0.65 | - | 0.98 | 0.62 | 1.09 | - | - | - | - | 0.05 | 0.17 | - | - | 0.08 | 0.11 | - | - | - | 0.41 | - | - | 0.16 | |
| citrate | - | - | - | - | - | 0.11 | - | - | - | - | - | - | - | - | 0.12 | - | 0.16 | 0.09 | 0.17 | 0.01 | 0.19 | 0.41 | 0.06 | 0.79 | 0.00 | - | |
| citrulline | - | 0.31 | 1.14 | 2.03 | 1.03 | - | 0.79 | 0.18 | - | - | - | - | - | - | - | 0.25 | 0.09 | 0.01 | 0.62 | 0.24 | 0.48 | 0.14 | 0.30 | - | 0.27 | 0.29 | |
| corticosterone | - | - | - | - | - | - | 0.69 | - | 0.58 | 0.43 | 0.14 | 0.02 | - | - | - | - | 0.20 | 0.42 | - | - | 0.12 | 0.19 | 0.14 | 0.60 | 0.35 | 0.27 | |
| cortisol | - | - | - | - | - | - | 0.05 | - | 0.47 | 0.62 | 0.25 | 0.22 | - | - | 0.14 | 0.00 | 0.07 | 0.15 | - | - | - | 0.00 | - | 0.27 | - | - | |
| cortisone | 0.03 | - | - | - | - | - | - | - | - | 0.04 | - | - | - | - | 0.04 | - | 0.09 | 0.27 | - | 0.52 | 0.34 | 0.76 | 0.09 | 0.94 | 0.40 | 0.17 | |
| cortolone glucuronide (1) | 2.94 | 0.85 | - | 0.02 | - | - | - | - | - | - | 0.06 | 0.01 | - | - | 0.06 | - | - | - | 0.15 | 0.46 | - | 0.67 | 0.11 | 0.58 | - | 1.19 | |
| creatine | - | 0.01 | 0.82 | 0.70 | 0.51 | 0.74 | - | - | - | - | 0.35 | 0.12 | - | - | 0.47 | 0.13 | 0.30 | - | - | - | - | - | - | - | - | - | |
| creatinine | - | - | 0.15 | - | - | - | - | - | 0.43 | 0.29 | 0.19 | - | 0.05 | 0.05 | 0.26 | - | - | 0.15 | - | 0.06 | - | - | - | 0.41 | 0.01 | - | |
| cys-gly, oxidized | - | - | - | - | - | - | - | 0.35 | 0.17 | 0.22 | 0.20 | 0.13 | 0.20 | - | 0.19 | 0.01 | 0.37 | 0.06 | 0.03 | 0.09 | - | - | - | 0.43 | - | 0.06 | |
| cystathionine | - | - | - | - | - | - | - | - | 0.05 | - | 0.02 | 0.08 | - | - | 0.57 | 0.24 | 0.10 | 0.22 | - | - | 0.43 | - | 0.24 | - | - | 0.13 | |
| cysteine | 0.41 | 0.64 | - | 1.86 | 1.26 | - | 4.33 | - | 0.33 | 0.14 | 0.08 | 0.19 | - | 0.04 | 0.39 | - | - | - | - | - | 0.06 | - | - | - | - | - | |
| cysteine-glutathione disulfide | - | - | - | 0.98 | - | - | - | 0.47 | - | 0.50 | 0.06 | 0.04 | 0.08 | 0.03 | 0.09 | - | 0.29 | - | - | - | 0.21 | 0.04 | - | - | - | - | |
| cysteine s-sulfate | 0.65 | - | 1.18 | - | - | 0.05 | - | - | 0.67 | 0.37 | 0.29 | 0.07 | - | 0.33 | 0.16 | - | - | - | - | - | - | 0.31 | - | 0.21 | 0.06 | - | |
| cysteine sulfinic acid | 0.98 | - | 2.99 | 0.66 | 0.10 | 2.08 | 1.64 | 0.06 | 1.13 | 0.04 | - | 0.05 | 0.11 | 0.15 | 0.09 | - | - | - | 0.04 | - | 0.30 | - | - | - | - | 0.12 | |
| cysteinylglycine | - | 1.20 | - | 1.55 | 0.56 | - | 2.94 | - | 0.35 | - | 0.11 | 0.27 | - | - | 0.21 | 0.23 | 0.24 | - | 0.00 | - | - | - | - | 0.12 | - | 0.45 | |
| cysteinylglycine disulfide* | 0.14 | - | 0.15 | - | - | - | - | 0.25 | 0.39 | 0.36 | 0.23 | 0.16 | 0.06 | - | 0.29 | - | 0.25 | 0.04 | 0.00 | 0.02 | 0.04 | 0.02 | - | 0.24 | - | - | |
| cystine | 1.79 | - | 0.17 | 1.16 | 0.92 | - | 2.66 | - | - | 0.62 | 0.10 | 0.23 | - | - | 0.25 | - | - | - | - | - | 0.29 | 0.06 | - | - | 0.47 | - | |
| cytidine | 0.98 | - | - | - | - | - | - | 1.01 | - | 0.04 | 0.05 | 0.05 | 0.07 | - | 0.10 | - | 0.02 | 0.32 | 0.18 | 0.22 | 0.10 | 0.13 | - | 0.41 | - | 0.15 | |
| cytosine | - | - | - | 0.11 | 1.74 | 0.15 | - | - | - | - | - | - | - | 0.03 | 0.34 | 0.26 | 0.08 | 0.16 | 0.33 | 0.34 | 0.07 | - | 0.50 | - | - | 0.61 | |
| decanoylcarnitine (C10) | 1.24 | 0.54 | 1.58 | 0.70 | 0.42 | 1.34 | 0.58 | 0.89 | 0.57 | - | - | - | 0.09 | - | - | - | 0.26 | 0.19 | - | 0.14 | - | 0.41 | 0.16 | 0.86 | 0.30 | - | |
| dehydroepiandrosterone sulfate (DHEA-S) | 1.91 | 1.49 | 1.26 | 1.10 | 0.05 | - | 0.12 | - | 0.06 | 0.11 | 0.44 | 0.12 | 0.06 | 0.02 | 0.24 | - | - | 0.12 | - | 0.10 | - | - | - | 0.03 | - | 0.24 | |
| deoxycarnitine | 1.74 | - | 0.98 | 0.77 | 0.58 | - | 1.92 | 0.03 | 0.29 | 0.32 | 0.14 | 0.10 | 0.03 | 0.13 | 0.04 | - | - | - | - | - | - | - | - | 0.23 | - | - | |
| deoxycholate | - | - | 0.40 | - | 0.43 | 1.53 | - | - | 0.36 | 0.31 | 0.38 | 0.10 | 0.02 | 0.21 | 0.13 | - | - | - | 0.08 | 0.06 | - | - | - | - | 0.11 | - | |
| diacylglycerol (14:0/18:1, 16:0/16:1) [2]* | - | - | - | - | 0.39 | - | 0.45 | 0.24 | 0.17 | - | - | 0.15 | - | - | - | 0.12 | - | - | 0.46 | 0.03 | 0.51 | 0.32 | 0.21 | - | - | 1.19 | |
| diacylglycerol (16:1/18:2 [2], 16:0/18:3 [1])* | - | 0.04 | - | - | - | - | 0.21 | - | - | - | - | 0.11 | - | - | 0.32 | - | 0.13 | - | 0.35 | 0.24 | 0.41 | 0.21 | - | 0.03 | - | 0.43 | |
| diglycerol | 0.07 | - | - | - | 0.83 | 0.92 | - | - | 0.07 | - | - | - | - | 0.10 | 0.32 | 0.01 | 0.10 | 0.25 | 0.20 | - | 0.25 | - | 0.35 | - | - | 0.11 | |
| dihomolinoleate (20:2n6) | - | 0.78 | 1.54 | 1.47 | - | 0.69 | 1.25 | 0.01 | - | - | - | - | 0.07 | - | - | - | 0.16 | - | - | 0.33 | - | 0.28 | 0.02 | 0.34 | 0.02 | 0.78 | |
| dihomolinolenate (20:3n3 or 3n6) | 0.87 | 0.51 | 0.88 | 1.23 | - | 0.59 | 0.80 | 0.14 | - | 0.09 | 0.27 | 0.08 | 0.05 | - | - | - | - | 0.05 | - | - | - | - | - | 0.33 | - | 0.95 | |
| dihomo-linolenoylcarnitine (C20:3n3 or 6)* | 1.85 | 0.12 | 1.35 | 0.98 | 0.55 | 1.57 | 2.60 | - | 0.49 | 0.12 | 0.30 | 0.19 | - | - | 0.15 | - | - | - | 0.14 | - | - | - | - | - | - | - | |
| dihomo-linolenoyl-choline | 0.29 | - | 0.23 | - | - | 0.61 | - | 0.43 | - | 0.31 | 0.43 | 0.18 | 0.06 | 0.11 | - | - | - | 0.27 | - | 0.04 | - | - | - | - | - | 0.21 | |
| dihomo-linoleoylcarnitine (C20:2)* | 0.99 | - | 1.43 | 0.82 | 0.58 | 1.19 | 1.95 | - | 0.05 | 0.16 | 0.16 | 0.18 | - | - | 0.08 | - | - | - | 0.04 | 0.19 | - | - | - | - | 0.08 | - | |
| dihydroorotate | - | 0.11 | - | 0.36 | - | - | - | - | - | - | 0.14 | 0.21 | 0.18 | - | 0.21 | 0.20 | 0.16 | 0.20 | 0.33 | 0.00 | - | - | - | - | - | 0.53 | |
| dimethylarginine (ADMA + SDMA) | 0.32 | - | 0.37 | 0.22 | 0.44 | - | 0.90 | - | 0.40 | - | 0.09 | - | - | 0.15 | 0.14 | 0.01 | 0.01 | - | 0.07 | 0.38 | 0.03 | - | 0.21 | 0.43 | - | - | |
| dimethylglycine | - | - | 0.11 | 0.52 | 0.86 | - | 0.18 | - | 0.06 | - | 0.07 | - | - | - | - | 0.21 | 0.11 | 0.49 | 0.35 | 0.23 | 0.41 | - | 0.03 | - | - | 0.27 | |
| dimethyl sulfone | 0.73 | - | 0.04 | - | 0.93 | 0.19 | - | - | 0.97 | 0.38 | - | 0.25 | - | 0.08 | 0.42 | 0.27 | - | 0.03 | - | - | - | - | - | - | - | - | |
| docosadienoate (22:2n6) | - | 0.85 | 0.92 | 1.05 | - | 0.61 | 1.30 | - | - | - | - | - | 0.05 | - | - | 0.13 | 0.29 | - | - | 0.46 | - | 0.24 | 0.14 | 0.26 | 0.02 | 1.00 | |
| docosadioate (C22-DC) | 0.68 | 0.04 | 0.21 | 0.24 | 0.81 | 0.45 | 1.20 | 0.01 | 0.01 | 0.14 | - | 0.17 | 0.19 | - | 0.41 | 0.13 | - | - | - | - | - | - | 0.06 | - | - | 0.36 | |
| docosahexaenoate (DHA; 22:6n3) | - | 0.00 | 0.40 | 0.75 | 1.19 | 0.14 | 0.77 | 0.32 | - | 0.65 | 0.40 | 0.08 | 0.20 | 0.16 | - | - | - | 0.22 | - | - | - | - | - | 0.64 | - | - | |
| docosahexaenoylcarnitine (C22:6)* | 1.00 | - | 0.43 | 0.62 | 0.98 | 0.73 | 1.37 | - | - | 0.41 | 0.06 | 0.15 | 0.13 | - | 0.02 | 0.01 | - | 0.63 | - | - | - | - | - | - | - | - | |
| docosahexaenoylcholine | - | - | 0.36 | - | 0.23 | 0.52 | - | 0.20 | - | 0.62 | 0.49 | 0.15 | 0.13 | 0.29 | - | - | - | 0.27 | - | - | - | - | - | - | - | - | |
| docosapentaenoate (DPA; 22:5n3) | 0.72 | 0.61 | 2.06 | 1.08 | 0.74 | 1.35 | 1.17 | 0.18 | - | 0.52 | 0.27 | 0.06 | 0.14 | - | - | - | - | 0.10 | - | - | - | - | - | 0.37 | - | 0.47 | |
| docosapentaenoate (n6 DPA; 22:5n6) | - | 0.81 | 1.79 | 0.91 | - | 0.21 | 0.48 | 0.73 | - | - | 0.18 | - | - | 0.03 | - | - | 0.05 | 0.31 | - | - | - | 0.04 | 0.14 | 0.48 | - | 0.62 | |
| docosatrienoate (22:3n3) | 0.80 | 0.68 | 1.17 | 0.75 | - | 1.15 | 0.69 | - | - | - | - | - | 0.17 | - | 0.04 | 0.07 | - | - | 0.11 | 0.05 | 0.13 | 0.25 | 0.11 | 0.25 | - | 0.72 | |
| dodecadienoate (12:2)* | 0.83 | 1.06 | 1.41 | 1.42 | - | 0.93 | 0.81 | 0.72 | 0.11 | - | - | - | - | - | - | 0.07 | 0.15 | 0.34 | - | 0.14 | - | 0.44 | - | 0.26 | 0.31 | 0.02 | |
| dodecanedioate (C12) | 1.46 | 0.91 | 1.00 | 0.18 | 0.67 | 1.45 | 2.51 | 0.69 | 0.19 | - | 0.02 | 0.03 | - | 0.43 | - | 0.05 | - | - | 0.04 | - | 0.15 | - | 0.27 | - | 0.26 | 0.03 | |
| dopamine 3-O-sulfate | - | - | 0.16 | 0.71 | 1.33 | - | - | - | - | - | - | 0.12 | - | 0.16 | 0.02 | 0.07 | 0.17 | 0.57 | - | - | 0.14 | - | 0.01 | 0.05 | 0.12 | 0.18 | |
| DSGEGDFXAEGGGVR* | 0.44 | - | - | 0.71 | - | - | - | 0.66 | - | - | 0.00 | - | 0.15 | - | 0.06 | - | 0.40 | 0.46 | - | 0.03 | - | 0.06 | - | 0.11 | - | 0.04 | |
| ectoine | 1.18 | - | - | 0.34 | - | 1.32 | 0.05 | 1.08 | - | - | - | 0.10 | 0.06 | - | 0.26 | 0.17 | - | 0.18 | - | - | - | 0.01 | 0.14 | 0.19 | - | - | |
| eicosanedioate (C20-DC) | 1.74 | - | 2.05 | 0.73 | 0.89 | 1.29 | 1.28 | 0.02 | - | 0.39 | 0.07 | 0.19 | 0.23 | - | 0.20 | - | - | - | - | - | - | - | 0.06 | - | 0.37 | - | |
| eicosapentaenoate (EPA; 20:5n3) | - | 0.18 | 0.16 | 0.51 | 1.48 | 0.54 | 0.73 | - | - | 0.91 | 0.42 | 0.14 | 0.15 | 0.11 | - | - | - | - | - | - | - | - | - | 0.31 | - | 0.41 | |
| eicosapentaenoylcholine | 0.14 | 0.20 | - | - | 0.01 | 0.52 | - | - | - | 0.85 | 0.49 | 0.17 | 0.11 | 0.21 | - | - | - | 0.13 | - | - | - | - | - | 0.11 | - | 0.21 | |
| eicosenedioate (C20:1-DC)* | 0.59 | 0.81 | 1.78 | 1.42 | 0.12 | 0.72 | 1.37 | 0.16 | 0.19 | - | 0.01 | 0.28 | 0.27 | 0.03 | 0.24 | - | - | - | - | - | 0.17 | - | - | - | 0.14 | - | |
| eicosenoate (20:1n9 or 1n11) | - | 0.40 | 1.42 | 0.94 | 0.09 | 0.68 | 0.57 | 0.03 | - | - | - | - | 0.05 | - | - | 0.21 | 0.14 | 0.05 | - | 0.40 | - | 0.32 | 0.20 | 0.51 | 0.13 | 0.84 | |
| eicosenoylcarnitine (C20:1)* | - | 0.00 | 1.12 | 0.71 | 1.21 | 1.26 | 1.47 | 0.19 | 0.84 | 0.20 | 0.11 | 0.11 | 0.21 | - | - | - | - | - | 0.14 | - | - | - | - | 0.13 | 0.09 | - | |
| epiandrosterone sulfate | 1.42 | 1.36 | 0.70 | 0.92 | 0.43 | 0.13 | 0.15 | - | - | 0.44 | 0.36 | 0.02 | - | 0.28 | 0.48 | - | - | 0.15 | - | - | - | - | - | 0.19 | - | 0.33 | |
| ergothioneine | - | - | - | 1.02 | 2.44 | - | 1.23 | - | - | 0.55 | 0.36 | 0.36 | - | - | - | 0.02 | - | 0.26 | - | - | - | - | - | - | 0.09 | - | |
| erucate (22:1n9) | - | - | 1.28 | - | 1.22 | 0.28 | 0.40 | - | 0.01 | - | - | - | 0.34 | - | 0.10 | 0.16 | 0.09 | - | 0.10 | 0.00 | - | 0.22 | - | 0.25 | 0.01 | - | |
| erythritol | 0.78 | 0.75 | - | 0.59 | 0.86 | 0.18 | 1.30 | 0.06 | - | 0.18 | - | - | 0.03 | 0.05 | - | - | - | - | 0.26 | 0.28 | 0.09 | 0.08 | 0.26 | 0.23 | 0.22 | - | |
| erythronate* | 0.59 | 0.53 | - | 0.65 | - | - | 1.22 | 0.55 | - | - | - | - | - | - | 0.13 | - | 0.07 | 0.14 | 0.76 | - | 0.30 | 0.03 | 0.06 | 0.28 | - | - | |
| estriol 16-glucuronide | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | 0.21 | 0.13 | 0.17 | 0.27 | 0.59 | 0.65 | 0.62 | 1.08 | 1.25 | 1.02 | 0.83 | |
| estriol-3-glucuronide | - | - | - | - | - | - | - | - | - | - | - | - | - | - | 0.08 | - | - | - | - | 0.50 | 0.52 | 0.24 | 0.82 | 0.83 | 0.89 | 1.04 | |
| estriol 3-sulfate | - | - | - | - | - | - | 0.33 | - | - | - | - | - | - | - | - | - | 0.04 | 0.01 | 0.31 | 0.81 | 0.98 | 0.70 | 0.86 | 1.31 | 0.93 | 0.86 | |
| estrone 3-sulfate | - | 0.55 | - | - | - | - | - | - | - | - | - | - | - | 0.12 | 0.20 | - | 0.06 | 0.45 | - | 0.45 | 0.30 | 0.36 | 0.36 | 0.97 | 0.37 | 0.82 | |
| ethylmalonate | 0.21 | 0.62 | - | 0.96 | 1.03 | - | - | 0.47 | 0.11 | - | - | - | - | - | 0.19 | - | 0.23 | 0.01 | 0.27 | 0.30 | 0.32 | 0.24 | 0.01 | 0.17 | 0.22 | 0.50 | |
| etiocholanolone glucuronide | 2.66 | 1.47 | - | 1.14 | - | - | 0.81 | - | 0.05 | - | 0.56 | 0.28 | - | - | 0.24 | - | - | - | - | 0.16 | - | 0.07 | - | - | - | 0.71 | |
| eugenol sulfate | - | - | - | 1.40 | 0.35 | - | - | - | - | - | 0.11 | 0.14 | - | - | - | 0.38 | 0.07 | - | 0.60 | - | - | - | - | - | - | 0.38 | |
| Fibrinopeptide A (2-15) | 0.24 | - | - | - | - | - | - | 0.58 | 0.09 | 0.27 | 0.18 | - | 0.44 | - | 0.08 | - | 0.16 | 0.35 | 0.06 | - | 0.06 | - | - | - | - | - | |
| Fibrinopeptide A (3-15) | 0.02 | - | - | 0.49 | - | - | - | 0.58 | 0.01 | 0.19 | 0.37 | - | 0.34 | - | - | - | 0.09 | 0.27 | - | - | 0.32 | - | - | - | - | - | |
| Fibrinopeptide B (1-11) | - | - | - | - | - | - | - | 0.48 | 0.22 | 0.03 | 0.03 | - | 0.29 | 0.10 | 0.06 | 0.07 | 0.36 | 0.19 | - | 0.18 | 0.20 | - | - | 0.03 | - | 0.18 | |
| Fibrinopeptide B (1-12) | - | - | - | - | - | - | - | 0.29 | 0.40 | 0.03 | 0.15 | - | 0.25 | 0.10 | 0.09 | - | 0.32 | 0.23 | - | 0.15 | 0.08 | 0.05 | - | 0.17 | - | 0.11 | |
| Fibrinopeptide B (1-13) | - | - | - | - | - | - | - | 0.71 | - | 0.13 | - | - | 0.15 | - | 0.22 | - | 0.38 | 0.55 | 0.23 | 0.11 | 0.14 | - | - | 0.44 | - | - | |
| Fibrinopeptide B (1-9) | 0.42 | - | 0.97 | - | - | 1.16 | - | 0.02 | - | - | - | 0.06 | 0.05 | 0.07 | 0.13 | 0.22 | 0.28 | 0.13 | 0.07 | 0.36 | 0.45 | - | - | - | 0.06 | 0.25 | |
| formiminoglutamate | 0.13 | - | 0.05 | 0.24 | 1.16 | 0.46 | 0.55 | 0.69 | 0.10 | - | - | 0.03 | - | - | - | 0.22 | - | 0.11 | 0.13 | 0.09 | - | 0.14 | 0.27 | 0.49 | 0.21 | 0.06 | |
| fructose | 0.53 | 0.20 | - | - | - | - | - | 0.20 | - | - | - | 0.01 | 0.22 | - | 0.11 | - | 0.28 | 0.29 | 0.17 | 0.14 | - | - | - | - | - | 0.10 | |
| fructosyllysine | - | - | - | - | - | - | - | - | - | - | 0.00 | 0.01 | 0.34 | - | 0.25 | 0.14 | 0.26 | 0.42 | 0.23 | 0.18 | 0.09 | - | - | - | - | 0.05 | |
| fumarate | 0.86 | - | 0.05 | 0.27 | 0.66 | 1.24 | 2.74 | - | 0.13 | 0.14 | - | 0.25 | - | 0.05 | 0.01 | 0.13 | - | - | 0.12 | - | 0.11 | - | 0.02 | - | 0.51 | - | |
| galactonate | - | - | - | - | 0.48 | - | - | 0.37 | 0.35 | 0.07 | - | - | - | - | 0.19 | 0.30 | 0.21 | - | 0.39 | - | 0.11 | - | 0.15 | 0.49 | 0.42 | - | |
| gamma-carboxyglutamate | 0.15 | - | - | 1.10 | 0.43 | 0.43 | 1.93 | 0.48 | 0.54 | - | 0.00 | - | - | 0.02 | 0.03 | - | 0.05 | - | - | - | 0.41 | 0.04 | 0.01 | 0.36 | - | 0.60 | |
| gamma-CEHC | 1.90 | 1.31 | - | 1.41 | - | 0.88 | 0.46 | 0.01 | - | - | 0.08 | 0.08 | - | 0.08 | 0.16 | - | 0.11 | - | 0.02 | - | - | 0.11 | - | - | 0.15 | - | |
| gamma-glutamyl-2-aminobutyrate | - | - | - | - | 0.02 | - | - | 0.34 | - | 0.07 | 0.11 | - | 0.09 | - | 0.20 | 0.01 | 0.41 | 0.07 | 0.15 | - | - | - | 0.04 | - | - | 0.25 | |
| gamma-glutamylalanine | - | - | - | - | - | - | - | 0.35 | - | - | - | - | 0.36 | - | 0.12 | 0.01 | 0.55 | 0.36 | 0.29 | 0.11 | 0.23 | - | - | - | - | - | |
| gamma-glutamyl-alpha-lysine | 0.24 | 0.61 | 0.02 | - | - | 0.42 | - | - | 0.38 | 0.13 | - | - | 0.23 | 0.05 | 0.44 | - | 0.16 | - | 0.25 | 0.24 | 0.04 | - | - | 0.33 | - | - | |
| gamma-glutamylcitrulline* | - | - | - | - | - | - | - | 0.48 | - | - | - | - | 0.22 | - | 0.08 | - | 0.50 | 0.37 | 0.11 | 0.12 | 0.09 | 0.16 | - | - | - | 0.09 | |
| gamma-glutamyl-epsilon-lysine | - | - | - | 1.24 | - | 0.06 | 0.77 | 0.36 | - | 0.22 | 0.13 | 0.15 | - | - | 0.26 | 0.07 | 0.27 | - | 0.33 | - | - | - | - | - | - | - | |
| gamma-glutamylglutamate | 0.47 | - | 0.01 | 0.51 | 0.25 | 0.73 | 1.00 | - | 0.50 | 0.11 | - | 0.05 | - | - | - | 0.27 | 0.21 | - | 0.27 | - | 0.32 | 0.06 | - | - | 0.05 | 0.66 | |
| gamma-glutamylglutamine | - | - | - | - | - | - | - | - | 0.10 | 0.32 | 0.17 | - | 0.28 | - | 0.18 | - | 0.50 | 0.29 | - | - | 0.01 | - | - | 0.03 | - | - | |
| gamma-glutamylglycine | - | - | 0.60 | - | - | - | - | - | 0.47 | 0.03 | - | 0.01 | 0.20 | 0.33 | - | 0.01 | 0.15 | - | 0.01 | 0.24 | 0.65 | 0.11 | - | - | - | 0.15 | |
| gamma-glutamylhistidine | - | - | - | - | - | - | - | - | 0.04 | - | - | 0.11 | - | 0.12 | 0.18 | - | 0.41 | 0.14 | 0.34 | - | 0.32 | - | - | 0.03 | - | 0.00 | |
| gamma-glutamylisoleucine* | 1.64 | 0.16 | - | - | 1.48 | - | 1.75 | 0.38 | 0.46 | - | - | - | 0.11 | 0.01 | - | 0.36 | 0.25 | - | 0.25 | - | 0.14 | 0.23 | - | 0.03 | - | 0.17 | |
| gamma-glutamylleucine | 0.87 | 0.22 | - | - | 1.75 | - | 0.54 | 0.20 | 0.20 | - | - | 0.13 | 0.06 | - | 0.15 | 0.35 | 0.20 | - | 0.36 | - | 0.06 | - | - | 0.05 | - | - | |
| gamma-glutamylmethionine | - | - | - | - | 0.11 | - | - | - | - | - | - | - | 0.21 | - | 0.22 | 0.25 | 0.65 | 0.34 | - | 0.15 | 0.23 | 0.09 | - | 0.13 | - | - | |
| gamma-glutamylphenylalanine | 0.67 | 0.75 | - | - | 1.88 | 0.33 | 1.85 | - | 0.00 | - | - | - | - | - | - | 0.31 | 0.27 | - | 0.29 | 0.28 | 0.21 | 0.16 | 0.07 | - | 0.07 | 0.29 | |
| gamma-glutamylthreonine | - | - | - | - | - | - | - | - | - | - | - | 0.19 | - | - | 0.21 | 0.05 | 0.32 | 0.11 | 0.00 | 0.06 | 0.27 | 0.17 | - | 0.03 | - | - | |
| gamma-glutamyltyrosine | 1.19 | 0.36 | - | 0.25 | 0.80 | 0.13 | 0.30 | - | 0.38 | - | - | - | - | - | 0.20 | - | 0.33 | 0.29 | 0.32 | 0.04 | 0.36 | 0.01 | - | - | 0.10 | 0.42 | |
| gamma-glutamylvaline | 1.22 | 0.25 | - | 0.31 | - | 0.04 | 0.79 | 0.26 | 0.28 | - | - | - | - | - | - | 0.22 | 0.20 | - | 0.25 | 0.42 | 0.32 | 0.36 | - | 0.07 | 0.01 | 0.17 | |
| gamma-tocopherol/beta-tocopherol | - | 1.11 | 0.11 | - | - | 0.84 | 0.43 | 0.44 | 0.32 | - | 0.28 | 0.09 | 0.20 | - | 0.51 | - | - | - | - | 0.08 | - | - | - | - | 0.19 | - | |
| gentisate | 0.42 | 0.08 | - | 0.14 | 0.98 | 0.45 | 0.20 | - | 0.11 | 0.64 | 0.13 | - | - | 0.25 | 0.23 | - | - | - | 0.01 | - | 0.32 | - | - | 0.11 | - | - | |
| gluconate | 1.40 | 0.05 | - | 0.28 | - | - | 1.39 | - | 0.05 | 0.48 | 0.27 | 0.37 | 0.15 | 0.15 | - | - | - | - | 0.11 | - | 0.29 | - | - | - | - | - | |
| glucose | 0.09 | - | - | - | - | - | - | - | 0.11 | - | 0.11 | 0.01 | 0.30 | 0.06 | 0.13 | 0.05 | 0.24 | 0.36 | 0.16 | 0.13 | - | 0.06 | - | 0.07 | - | - | |
| glucuronate | - | - | 0.18 | - | 0.04 | - | - | 0.06 | - | - | 0.12 | - | - | 0.14 | 0.17 | - | - | 0.25 | 0.17 | 0.33 | 0.01 | 0.08 | 0.24 | - | - | - | |
| glucuronide of C10H18O2 (1)* | 0.90 | 0.63 | 0.39 | 0.77 | - | 0.56 | 1.21 | 0.85 | - | 0.16 | 0.15 | - | 0.10 | 0.48 | - | - | - | - | - | - | 0.00 | - | 0.24 | - | - | 0.04 | |
| glucuronide of C10H18O2 (7)* | - | 0.06 | - | 0.61 | 0.00 | 0.87 | - | 0.47 | - | 0.47 | 0.26 | 0.07 | 0.24 | 0.25 | - | - | - | - | - | - | - | 0.02 | - | - | - | - | |
| glu-gly-asn-val | 0.21 | - | 0.62 | - | - | - | - | 0.71 | 0.23 | 0.20 | 0.30 | - | 0.43 | - | 0.15 | - | 0.12 | 0.45 | 0.13 | - | - | - | - | - | - | - | |
| glutamate | 0.10 | - | 0.65 | - | 0.12 | 1.58 | 1.17 | - | 0.29 | - | - | 0.13 | - | 0.05 | 0.23 | 0.13 | 0.18 | - | 0.27 | 0.25 | 0.34 | - | 0.05 | - | 0.13 | 0.52 | |
| glutamine | - | - | 0.01 | 0.00 | 0.12 | - | - | - | 0.45 | 0.27 | 0.10 | - | 0.20 | 0.05 | 0.30 | 0.04 | 0.26 | 0.10 | - | 0.10 | 0.11 | - | - | - | - | - | |
| glutarate (C5-DC) | 1.98 | 1.07 | 1.32 | 0.84 | 0.42 | 1.61 | 2.92 | 0.68 | 0.00 | 0.06 | 0.06 | 0.11 | - | 0.51 | - | - | - | - | - | - | - | 0.07 | 0.15 | - | - | - | |
| glutaroylcarnitine (C5) | 0.61 | - | 0.45 | 0.50 | 1.09 | - | 0.23 | 0.57 | - | 0.40 | 0.43 | 0.04 | - | - | - | - | - | - | - | - | 0.37 | 0.02 | 0.08 | 0.13 | - | - | |
| glycerate | 1.87 | 0.45 | 1.12 | 0.82 | 0.08 | 2.86 | 0.65 | - | 0.07 | 0.20 | 0.04 | 0.18 | - | 0.15 | - | - | - | - | - | - | - | 0.25 | 0.24 | - | 0.50 | - | |
| glycerol | 2.02 | 0.44 | 1.26 | 0.63 | 0.69 | 2.12 | - | 0.24 | - | - | - | - | 0.00 | - | - | - | - | - | 0.08 | 0.02 | - | 0.64 | 0.61 | 0.56 | 0.39 | 0.78 | |
| glycerol 3-phosphate | 1.28 | 0.32 | 1.83 | 0.82 | 0.81 | 1.09 | 2.06 | - | 0.08 | 0.57 | 0.47 | 0.28 | 0.26 | 0.41 | 0.08 | 0.01 | - | - | - | - | - | - | - | - | - | 0.42 | |
| glycerophosphoethanolamine | 0.62 | - | 0.04 | 0.16 | - | - | 0.63 | - | - | 0.45 | 0.39 | 0.37 | 0.07 | 0.20 | 0.37 | - | - | - | - | - | 0.04 | - | - | 0.04 | - | 0.22 | |
| glycerophosphoglycerol | 0.93 | - | 0.75 | 0.21 | 1.05 | 0.87 | 1.54 | - | - | - | - | 0.14 | 0.00 | 0.20 | - | 0.23 | - | - | 0.32 | - | 0.16 | - | - | - | 0.01 | 0.08 | |
| glycerophosphoinositol* | 0.87 | - | - | - | - | - | - | 0.31 | 0.10 | 0.32 | 0.48 | 0.26 | 0.08 | 0.41 | 0.04 | - | - | - | - | - | - | - | - | - | - | - | |
| glycerophosphorylcholine (GPC) | 0.62 | - | 0.67 | 0.48 | 0.21 | 0.24 | 1.69 | - | - | 0.63 | 0.45 | 0.27 | 0.17 | 0.26 | 0.30 | - | - | - | - | - | - | - | - | 0.21 | - | 0.46 | |
| glycerophosphoserine* | 0.68 | - | - | - | - | 0.91 | 2.04 | - | 0.20 | 0.23 | 0.20 | 0.23 | - | 0.13 | 0.04 | 0.14 | 0.02 | - | - | - | 0.36 | - | - | - | 0.02 | - | |
| glycine | 0.71 | - | 1.78 | 0.73 | 0.51 | 1.55 | 1.80 | - | 0.35 | 0.13 | - | 0.08 | - | 0.34 | 0.05 | - | - | - | - | 0.08 | 0.58 | - | - | - | 0.11 | - | |
| glycine conjugate of C10H14O2 (1)* | 1.68 | 1.55 | - | 0.75 | - | 1.50 | 0.83 | 0.47 | 0.25 | 0.05 | 0.05 | 0.15 | - | - | 0.18 | - | 0.00 | - | - | - | - | - | 0.08 | 0.20 | 0.05 | - | |
| glyco-beta-muricholate | - | - | 1.10 | - | 0.69 | 1.06 | - | 0.16 | 0.35 | 0.11 | - | - | 0.01 | - | - | 0.10 | 0.15 | - | 0.38 | 0.30 | - | 0.38 | 0.20 | - | 0.72 | - | |
| glycochenodeoxycholate | 0.70 | - | 0.45 | - | 0.15 | 0.51 | - | 0.20 | - | - | - | - | 0.25 | - | - | 0.19 | 0.25 | 0.19 | 0.23 | 0.12 | 0.17 | 0.26 | - | - | - | 0.38 | |
| glycochenodeoxycholate 3-sulfate | 1.30 | 0.32 | 0.09 | - | - | 0.92 | - | 0.48 | 0.05 | - | - | - | 0.11 | - | - | 0.02 | 0.16 | 0.01 | 0.33 | 0.36 | 0.32 | 0.72 | 0.14 | 0.39 | 0.38 | - | |
| glycochenodeoxycholate glucuronide (1) | - | - | 0.41 | - | - | 0.70 | - | - | - | - | - | - | - | - | - | 0.01 | 0.07 | 0.18 | 0.18 | 0.42 | - | 0.51 | 0.34 | 0.27 | 0.59 | - | |
| glycocholate | - | - | - | - | - | 0.24 | - | - | - | - | - | - | - | - | - | 0.33 | 0.20 | 0.14 | 0.29 | 0.15 | 0.09 | 0.52 | 0.23 | - | 0.16 | 0.50 | |
| glycocholenate sulfate* | 1.12 | - | 1.49 | 0.36 | 0.10 | 1.34 | - | 0.08 | 0.91 | 0.20 | 0.16 | - | 0.14 | - | - | 0.01 | - | - | - | 0.16 | - | 0.05 | - | - | 0.11 | - | |
| glycodeoxycholate | - | - | 0.44 | - | 0.55 | 0.73 | - | - | 0.01 | 0.27 | 0.14 | - | - | 0.07 | 0.02 | 0.06 | 0.09 | - | 0.29 | 0.20 | - | 0.06 | 0.18 | - | 0.40 | 0.33 | |
| glycodeoxycholate 3-sulfate | - | - | 0.00 | - | - | 0.66 | - | 0.04 | - | 0.10 | - | - | - | - | - | 0.10 | 0.10 | 0.10 | 0.27 | 0.46 | - | 0.42 | 0.40 | 0.20 | 0.68 | - | |
| glycohyocholate | 0.13 | 0.50 | 0.94 | - | 0.59 | 0.40 | - | 0.04 | - | - | - | - | 0.09 | - | - | 0.14 | 0.30 | 0.22 | 0.16 | 0.19 | 0.32 | 0.81 | 0.19 | 0.06 | 0.21 | 0.02 | |
| glycolithocholate sulfate* | - | 0.07 | 0.87 | - | 0.74 | 1.16 | - | 0.01 | 0.66 | 0.27 | - | - | - | - | - | 0.15 | 0.07 | 0.02 | 0.09 | 0.14 | - | - | 0.14 | 0.05 | 0.56 | - | |
| glycosyl ceramide (d18:1/20:0, d16:1/22:0)* | - | 0.07 | 0.07 | - | 0.15 | - | - | - | - | 0.51 | 0.02 | 0.16 | 0.20 | - | 0.33 | - | - | - | - | 0.18 | - | - | 0.06 | - | - | - | |
| glycosyl ceramide (d18:2/24:1, d18:1/24:2)* | 0.59 | - | 2.15 | 0.49 | - | - | 0.71 | - | 0.07 | - | 0.03 | 0.10 | 0.08 | 0.07 | 0.24 | - | 0.18 | - | - | 0.42 | 0.22 | - | 0.04 | - | 0.01 | - | |
| glycosyl-N-(2-hydroxynervonoyl)-sphingosine (d18:1/24:1(2OH)... | - | - | 0.66 | - | - | 0.78 | 0.12 | 0.35 | - | - | - | - | 0.24 | - | 0.13 | 0.02 | 0.27 | 0.04 | - | 0.18 | 0.19 | - | 0.04 | - | 0.34 | - | |
| glycosyl-N-behenoyl-sphingadienine (d18:2/22:0)* | - | - | - | - | 0.19 | - | - | 0.12 | - | 0.45 | - | 0.12 | 0.20 | - | 0.16 | - | 0.11 | - | - | 0.00 | 0.06 | - | 0.21 | - | - | - | |
| glycosyl-N-palmitoyl-sphingosine (d18:1/16:0) | - | 0.51 | 0.48 | - | - | - | - | 0.33 | - | 0.20 | 0.04 | 0.12 | 0.04 | 0.06 | 0.49 | - | - | - | - | 0.36 | - | - | 0.02 | - | - | - | |
| glycosyl-N-stearoyl-sphingosine (d18:1/18:0) | - | - | 1.02 | 0.00 | - | - | - | - | - | - | - | 0.08 | - | - | 0.22 | - | 0.05 | 0.20 | - | 0.40 | 0.26 | 0.22 | 0.21 | - | 0.06 | - | |
| glycoursodeoxycholate | 1.22 | - | - | 0.81 | 0.55 | 0.59 | - | 0.54 | - | 0.15 | 0.06 | 0.06 | 0.47 | 0.23 | - | - | - | - | 0.06 | 0.04 | - | 0.18 | - | - | - | 0.01 | |
| glycylvaline | - | - | 0.70 | - | - | - | - | 0.39 | 0.05 | 0.01 | 0.16 | - | 0.17 | 0.04 | 0.09 | - | 0.46 | 0.32 | 0.16 | 0.23 | 0.27 | - | - | 0.08 | - | - | |
| guaiacol sulfate | - | 0.19 | - | - | 0.45 | - | - | - | 0.57 | - | - | - | - | - | 0.41 | 0.08 | - | 0.13 | 0.04 | 0.22 | 0.28 | - | 0.52 | 0.46 | - | - | |
| guanidinoacetate | 2.70 | 0.29 | 3.09 | 1.29 | 0.29 | - | 1.13 | - | - | - | 0.10 | - | 0.25 | 0.16 | - | - | - | - | - | 0.13 | 0.26 | 0.34 | - | - | - | - | |
| guanidinosuccinate | - | 0.12 | 0.84 | 1.47 | 0.84 | - | 0.49 | - | 0.90 | 0.27 | 0.14 | - | 0.01 | - | - | 0.18 | - | 0.07 | - | - | 0.08 | - | - | 0.31 | 0.39 | 0.92 | |
| guanine | 1.36 | - | 1.24 | 1.17 | 0.64 | - | 0.33 | 1.22 | - | - | - | 0.11 | 0.40 | 0.16 | - | - | 0.10 | - | - | - | - | 0.08 | - | - | - | - | |
| guanosine | 0.49 | - | 0.95 | 0.28 | - | - | - | 0.41 | - | - | 0.03 | - | 0.25 | 0.19 | - | 0.08 | - | 0.15 | - | 0.08 | - | 0.14 | - | 0.00 | 0.24 | - | |
| gulonate* | 0.04 | - | - | - | - | - | - | 0.26 | - | 0.03 | 0.12 | - | 0.17 | 0.22 | - | - | - | 0.14 | 0.22 | - | 0.64 | - | - | 0.30 | 0.12 | - | |
| heptanoate (7:0) | 2.94 | 0.82 | 0.22 | - | - | 0.57 | 1.48 | 1.26 | 0.85 | 0.10 | 0.07 | 0.22 | - | 0.38 | - | 0.05 | - | - | - | - | - | 0.24 | - | - | - | - | |
| heptenedioate (C7:1-DC)* | 0.52 | 1.06 | 0.70 | 0.63 | 0.54 | 0.56 | 0.49 | - | 0.51 | 0.14 | 0.23 | - | 0.35 | 0.06 | - | - | - | - | - | 0.04 | - | 0.49 | - | 0.08 | - | - | |
| hexadecadienoate (16:2n6) | 0.96 | 0.33 | 1.04 | 0.77 | 0.20 | 0.54 | 1.35 | - | - | - | - | - | - | - | - | 0.12 | 0.16 | - | - | 0.26 | 0.19 | 0.44 | 0.11 | 0.38 | - | 0.79 | |
| hexadecanedioate (C16) | 0.00 | - | 1.72 | 0.03 | 0.89 | 0.62 | 0.48 | 0.18 | - | - | - | - | - | - | - | 0.20 | 0.50 | 0.24 | 0.26 | 0.31 | 0.05 | 0.27 | 0.25 | 0.37 | 0.43 | 0.83 | |
| hexadecasphingosine (d16:1)* | - | - | - | - | 0.17 | 0.38 | 1.91 | 0.29 | 0.16 | - | - | 0.08 | - | - | 0.10 | - | - | - | 0.29 | - | 0.60 | 0.27 | 0.44 | 0.02 | 0.15 | 0.48 | |
| hexadecenedioate (C16:1-DC)* | - | 0.03 | 1.29 | - | 1.18 | 0.44 | 0.19 | 0.32 | - | - | - | - | - | - | 0.00 | 0.33 | 0.21 | 0.22 | 0.19 | 0.45 | - | 0.16 | 0.27 | 0.38 | 0.42 | 0.37 | |
| hexanoylcarnitine (C6) | 0.58 | 0.89 | 1.70 | 1.03 | - | 0.73 | 0.60 | 1.35 | 0.47 | - | 0.02 | - | 0.07 | - | - | - | 0.34 | 0.18 | 0.11 | - | - | 0.28 | - | 0.69 | - | 0.22 | |
| hexanoylglutamine | - | 1.22 | 1.17 | 0.27 | - | 0.73 | 1.17 | 0.97 | 0.17 | - | - | - | 0.06 | - | - | 0.02 | 0.21 | - | 0.07 | 0.11 | 0.06 | 0.38 | 0.24 | 0.26 | 0.02 | 0.21 | |
| hippurate | 0.78 | - | - | - | 0.26 | - | 0.17 | - | 0.35 | 0.91 | 0.62 | 0.13 | 0.25 | 0.31 | 0.00 | - | - | - | - | - | - | - | - | - | - | - | |
| histidine | - | 0.31 | 0.01 | 1.46 | 0.86 | 1.29 | 0.24 | - | 0.95 | 0.07 | - | - | - | 0.10 | 0.13 | 0.22 | 0.05 | - | - | - | 0.02 | 0.01 | - | - | 0.18 | - | |
| histidine betaine (hercynine)* | - | - | 0.41 | 0.16 | 1.09 | - | 0.18 | - | - | 0.65 | 0.24 | 0.19 | - | - | - | - | - | 0.52 | - | - | - | - | 0.05 | - | 0.42 | - | |
| histidylalanine | 0.62 | 0.73 | 0.46 | 0.22 | - | 1.36 | - | 0.69 | 0.10 | 0.04 | 0.18 | 0.18 | 0.07 | 0.02 | - | 0.16 | 0.15 | 0.16 | - | 0.03 | - | 0.09 | - | 0.38 | 0.01 | 0.43 | |
| homoarginine | 0.16 | 0.05 | 0.70 | 0.95 | - | 0.73 | - | 0.27 | 0.16 | 0.04 | 0.30 | 0.12 | - | - | 0.25 | 0.22 | - | - | - | 0.29 | - | - | - | 0.03 | - | - | |
| homocitrulline | - | - | 0.02 | 1.45 | 0.07 | - | - | 0.04 | - | 0.24 | 0.37 | 0.13 | - | - | 0.13 | 0.03 | - | 0.12 | - | - | - | - | 0.05 | 0.46 | - | - | |
| homostachydrine* | - | 0.09 | - | 1.43 | - | - | 0.50 | 0.81 | 0.22 | - | 0.22 | - | - | - | 0.25 | - | - | - | - | 0.07 | - | 0.19 | 0.17 | 0.23 | 0.12 | 0.07 | |
| HWESASXX* | - | 0.87 | 1.44 | 0.59 | - | 0.59 | - | 0.83 | 0.57 | 0.06 | 0.09 | 0.06 | 0.35 | - | - | 0.11 | - | - | - | - | - | 0.21 | - | 0.11 | - | 0.53 | |
| hydroxyasparagine | 1.10 | - | - | - | - | - | 0.54 | 1.04 | - | - | 0.00 | - | 0.13 | 0.03 | 0.11 | - | 0.05 | - | - | 0.02 | 0.27 | 0.31 | 0.21 | 0.32 | - | - | |
| hydroxy-CMPF* | - | - | - | 0.43 | 1.46 | 0.31 | - | - | 0.08 | 0.86 | 0.31 | 0.18 | 0.09 | - | - | 0.15 | - | 0.12 | - | - | - | - | - | - | 0.25 | - | |
| hydroxy-N6,N6,N6-trimethyllysine* | 0.29 | - | - | 0.68 | - | - | 1.71 | 0.49 | - | 0.02 | 0.20 | - | - | - | - | - | - | 0.15 | 0.08 | - | 0.12 | - | 0.58 | 0.41 | 0.24 | - | |
| hydroxypalmitoyl sphingomyelin (d18:1/16:0(OH)) | 1.33 | - | 1.36 | 0.93 | - | 0.37 | 0.88 | 0.09 | - | 0.33 | 0.24 | 0.15 | 0.50 | 0.02 | 0.32 | - | - | - | - | 0.02 | - | - | - | - | - | - | |
| hydroxyproline | - | 0.76 | 0.51 | 1.92 | - | - | 1.03 | - | - | - | - | - | - | - | 0.04 | 0.10 | 0.15 | - | - | 0.44 | 0.47 | 0.34 | 0.16 | 0.21 | 0.13 | - | |
| hyocholate | 0.85 | - | 1.19 | 1.45 | - | 1.14 | 0.97 | 0.36 | 0.42 | - | - | 0.03 | 0.34 | 0.04 | - | - | 0.12 | - | - | - | - | 0.54 | - | 0.13 | - | 0.10 | |
| hypotaurine | - | 0.15 | 1.07 | - | 0.97 | 1.38 | - | - | 0.51 | 0.38 | 0.19 | 0.28 | 0.13 | 0.10 | - | 0.22 | - | - | - | - | - | - | - | - | - | 0.51 | |
| hypoxanthine | 1.44 | 0.12 | 1.45 | 0.26 | 0.68 | 1.74 | 1.33 | - | 0.09 | 0.19 | 0.03 | 0.02 | - | 0.22 | - | 0.07 | - | - | - | 0.17 | 0.09 | 0.05 | 0.18 | - | 0.42 | - | |
| imidazole lactate | - | - | 0.17 | - | - | - | - | - | 0.93 | - | 0.30 | 0.19 | - | 0.01 | 0.22 | - | - | 0.11 | - | 0.01 | 0.52 | - | 0.32 | 0.29 | - | - | |
| imidazole propionate | 2.47 | - | - | 0.53 | 0.52 | 1.63 | 0.80 | 0.90 | 0.11 | 0.08 | 0.06 | 0.04 | - | 0.21 | 0.03 | - | - | - | - | 0.03 | - | 0.17 | 0.09 | - | - | 0.23 | |
| indoleacetate | 1.82 | - | - | 0.51 | 0.16 | 0.11 | - | - | 0.01 | - | - | 0.00 | - | - | 0.45 | 0.27 | 0.07 | - | - | - | - | - | 0.22 | 0.26 | 0.16 | - | |
| indoleacetylglutamine | 1.63 | - | - | 0.72 | - | - | - | - | - | - | 0.03 | - | - | - | 0.18 | - | 0.26 | - | - | 0.15 | 0.13 | 0.17 | 0.30 | 0.88 | - | 0.81 | |
| indolelactate | 2.85 | 0.37 | 0.00 | 1.38 | 0.98 | - | 0.47 | - | 0.15 | 0.41 | 0.31 | 0.23 | - | - | 0.02 | - | - | 0.08 | - | 0.16 | 0.01 | - | 0.04 | 0.12 | - | 0.12 | |
| indolepropionate | - | - | - | 0.04 | 0.62 | 0.16 | - | - | 0.27 | 0.63 | 0.17 | 0.04 | 0.00 | 0.05 | - | 0.32 | - | 0.14 | - | - | - | - | - | - | 0.17 | - | |
| indolin-2-one | - | 0.35 | 0.64 | 0.57 | 0.43 | 0.78 | - | - | 0.74 | 0.31 | - | - | - | - | 0.01 | - | - | - | 0.27 | 0.21 | 0.21 | - | - | 0.49 | 0.50 | - | |
| inosine | 0.39 | - | 1.07 | - | - | 0.38 | - | - | - | 0.20 | 0.06 | - | 0.08 | 0.04 | - | 0.16 | - | 0.06 | 0.06 | 0.29 | 0.03 | 0.19 | - | 0.22 | 0.34 | - | |
| isobutyrylcarnitine (C4) | - | 0.38 | - | 0.49 | 1.17 | 1.21 | - | - | - | 0.08 | 0.21 | 0.05 | - | - | 0.23 | 0.21 | 0.04 | 0.26 | - | - | - | - | - | 0.59 | 0.02 | - | |
| isobutyrylglycine (C4) | 0.26 | - | - | 0.77 | - | 0.32 | - | - | - | - | - | - | 0.04 | 0.08 | - | 0.11 | 0.03 | 0.43 | - | 0.15 | 0.21 | - | 0.06 | 0.37 | 0.14 | - | |
| isocitrate | 0.93 | - | - | 0.65 | - | - | 1.30 | - | - | 0.05 | 0.12 | 0.05 | - | - | 0.15 | 0.07 | 0.22 | 0.32 | 0.18 | - | 0.31 | - | - | - | - | - | |
| isoleucine | 0.23 | 0.31 | 1.20 | 0.12 | 1.65 | 0.22 | - | - | 0.30 | - | - | - | - | 0.00 | 0.30 | 0.46 | 0.31 | - | 0.26 | 0.20 | 0.16 | - | - | - | - | - | |
| isoleucylglycine | - | 0.44 | 1.23 | - | - | 0.41 | - | - | - | 0.07 | 0.33 | - | 0.19 | - | - | 0.10 | 0.26 | - | - | 0.25 | 0.23 | 0.10 | - | 0.39 | - | - | |
| isovalerate (C5) | 1.95 | 0.10 | 0.46 | 0.35 | 0.28 | - | - | 0.07 | 0.21 | 0.20 | 0.01 | 0.00 | 0.17 | 0.12 | - | 0.21 | - | 0.07 | - | 0.47 | - | - | - | - | - | - | |
| isovalerylcarnitine (C5) | 1.42 | 1.10 | - | - | 1.09 | 0.63 | 0.42 | - | 0.03 | - | 0.08 | 0.12 | - | - | 0.13 | 0.38 | 0.22 | 0.09 | - | - | - | - | - | 0.23 | - | - | |
| isovalerylglycine | - | - | - | - | 0.37 | 1.01 | - | - | - | - | - | - | - | 0.20 | 0.00 | 0.25 | - | 0.38 | 0.07 | 0.33 | 0.18 | - | 0.12 | 0.62 | 0.34 | - | |
| kynurenate | 1.93 | 0.42 | - | 1.42 | 1.02 | - | - | 0.14 | 0.55 | - | - | - | - | - | - | - | - | 0.43 | 0.24 | 0.44 | 0.11 | 0.05 | 0.29 | 0.98 | 0.30 | - | |
| kynurenine | 2.02 | - | - | 0.51 | - | - | - | - | 0.10 | 0.39 | 0.16 | - | 0.01 | 0.01 | 0.21 | - | - | 0.17 | 0.16 | 0.05 | - | - | - | 0.26 | - | - | |
| lactate | 0.79 | 0.13 | 0.76 | - | 0.42 | 1.89 | 0.85 | - | 0.44 | 0.26 | - | 0.32 | - | 0.11 | 0.09 | 0.17 | - | - | - | - | 0.09 | - | - | - | 0.18 | - | |
| lactobacillic acid | 0.23 | 0.92 | 1.71 | 1.08 | 0.48 | 0.95 | 0.56 | 0.33 | 0.22 | - | - | - | - | - | - | - | 0.18 | 0.13 | 0.15 | 0.45 | 0.17 | 0.45 | 0.04 | 0.13 | - | 0.66 | |
| lactose | - | - | - | 0.29 | - | - | 0.44 | - | - | - | - | - | - | 0.01 | 0.10 | 0.05 | 0.17 | 0.10 | 0.08 | 0.47 | 0.14 | 0.23 | 0.19 | 0.49 | 0.20 | - | |
| lactosyl-N-behenoyl-sphingosine (d18:1/22:0)* | 0.26 | 0.28 | 0.22 | 0.05 | 0.62 | - | 0.84 | - | - | 0.54 | 0.29 | 0.25 | 0.20 | 0.06 | 0.01 | 0.04 | - | 0.05 | - | - | - | - | - | - | - | - | |
| lactosyl-N-nervonoyl-sphingosine (d18:1/24:1)* | 0.59 | - | 1.60 | - | 1.03 | - | 1.12 | - | - | 0.65 | 0.28 | 0.37 | 0.20 | 0.27 | 0.44 | - | - | - | - | - | - | - | - | - | - | - | |
| lactosyl-N-palmitoyl-sphingosine (d18:1/16:0) | 0.53 | - | 2.00 | 0.69 | 0.34 | - | 0.47 | - | 0.11 | 0.66 | 0.29 | 0.34 | 0.28 | 0.30 | 0.47 | - | - | - | - | - | - | - | - | - | - | - | |
| lanthionine | - | - | - | - | 0.73 | - | 0.06 | 0.63 | - | 0.01 | 0.02 | - | - | 0.01 | 0.02 | - | - | 0.34 | 0.18 | 0.22 | - | 0.10 | 0.40 | 0.24 | 0.01 | - | |
| laurate (12:0) | - | 0.25 | 1.97 | 0.48 | 0.50 | 0.64 | 0.10 | 0.92 | - | - | - | - | 0.00 | - | 0.07 | 0.04 | 0.14 | 0.12 | 0.42 | 0.40 | 0.04 | 0.36 | 0.03 | 0.22 | - | 0.71 | |
| laurylcarnitine (C12) | 1.19 | 0.90 | 2.02 | 1.00 | 0.35 | 2.29 | 0.77 | 0.63 | 0.76 | - | - | - | 0.10 | - | - | - | 0.16 | 0.17 | 0.10 | 0.07 | - | 0.34 | 0.17 | 0.68 | 0.24 | - | |
| leucine | 0.19 | 0.08 | 1.17 | - | 1.47 | 0.36 | - | - | 0.41 | - | - | 0.05 | - | - | 0.37 | 0.44 | 0.27 | - | 0.18 | 0.26 | 0.12 | - | - | 0.13 | - | - | |
| leucylalanine | - | - | 1.00 | 0.74 | - | - | - | 0.28 | 0.57 | - | - | - | 0.15 | - | 0.31 | 0.25 | 0.27 | 0.24 | 0.20 | 0.43 | - | 0.38 | - | 0.37 | - | - | |
| leucylglutamine* | - | 1.02 | 0.78 | 0.47 | - | 0.65 | - | 0.62 | - | 0.22 | 0.32 | - | 0.19 | 0.13 | - | 0.09 | - | 0.18 | - | - | - | - | - | 0.25 | - | - | |
| leucylglycine | - | 0.96 | 1.13 | 0.90 | - | 0.74 | - | 0.79 | 0.57 | 0.16 | 0.25 | 0.11 | 0.37 | 0.07 | - | 0.10 | - | - | - | 0.13 | - | - | - | 0.18 | - | - | |
| lignoceroylcarnitine (C24)* | - | - | - | 0.47 | - | - | 0.44 | 0.20 | - | 0.41 | 0.25 | - | 0.26 | 0.11 | 0.30 | - | - | - | - | 0.06 | - | - | - | - | - | - | |
| lignoceroyl sphingomyelin (d18:1/24:0) | - | - | 0.36 | 0.88 | - | 0.10 | - | - | - | 0.81 | 0.49 | 0.03 | 0.12 | - | 0.28 | - | - | - | - | 0.12 | - | - | - | - | 0.10 | - | |
| linoleate (18:2n6) | - | 0.86 | 1.71 | 1.17 | 0.23 | 1.32 | 0.69 | 0.16 | - | - | - | - | - | - | - | 0.04 | 0.18 | 0.14 | - | 0.13 | 0.03 | 0.47 | 0.21 | 0.60 | 0.24 | 0.53 | |
| linolenate (18:3n3 or 3n6) | - | 0.45 | 1.89 | 1.06 | 0.73 | 1.53 | 0.90 | 0.25 | - | - | - | - | 0.02 | - | - | 0.03 | 0.00 | 0.22 | - | 0.16 | 0.00 | 0.38 | 0.06 | 0.54 | 0.17 | 0.40 | |
| linolenoylcarnitine (C18:3)* | 1.20 | - | 1.14 | 0.97 | 1.02 | 1.94 | 1.90 | 0.04 | 0.23 | - | 0.07 | 0.32 | - | - | 0.23 | - | - | - | - | - | 0.03 | - | - | - | 0.13 | - | |
| linoleoyl-arachidonoyl-glycerol (18:2/20:4) [1]* | - | 0.80 | - | - | - | - | 0.50 | 0.15 | - | - | 0.24 | 0.04 | - | - | 0.24 | - | 0.18 | 0.06 | - | - | 0.45 | 0.27 | - | - | - | - | |
| linoleoyl-arachidonoyl-glycerol (18:2/20:4) [2]* | - | 0.65 | 0.02 | - | 0.37 | - | 0.25 | 0.13 | - | - | 0.23 | 0.06 | - | - | 0.20 | - | 0.22 | 0.09 | - | - | 0.33 | 0.23 | - | - | - | - | |
| linoleoylcarnitine (C18:2)* | 0.96 | 0.19 | 1.79 | 0.88 | 0.58 | 1.66 | 2.36 | - | 0.43 | - | 0.11 | 0.31 | - | - | 0.27 | - | - | - | - | - | 0.05 | - | - | - | 0.20 | - | |
| linoleoylcholine* | - | - | 0.23 | - | - | 0.24 | - | 0.26 | - | 0.33 | 0.32 | 0.08 | 0.08 | 0.24 | - | - | 0.01 | 0.29 | - | 0.08 | - | - | 0.02 | - | - | - | |
| linoleoyl-docosahexaenoyl-glycerol (18:2/22:6) [1]* | - | 0.10 | - | - | 0.83 | - | 0.47 | - | - | 0.01 | 0.09 | 0.14 | 0.07 | 0.04 | - | 0.12 | - | 0.25 | - | 0.08 | - | 0.14 | 0.02 | - | - | - | |
| linoleoyl-docosahexaenoyl-glycerol (18:2/22:6) [2]* | - | - | - | - | 0.58 | - | - | 0.28 | - | 0.24 | 0.25 | 0.08 | 0.25 | - | - | - | - | 0.20 | - | - | - | - | - | 0.22 | 0.05 | 0.20 | |
| linoleoyl ethanolamide | 1.76 | 1.01 | 1.15 | 1.28 | - | 1.13 | 0.13 | - | - | - | - | - | - | - | - | - | 0.05 | 0.04 | - | 0.12 | 0.34 | 0.38 | 0.29 | 0.30 | 0.61 | 0.51 | |
| linoleoyl-linolenoyl-glycerol (18:2/18:3) [1]* | - | - | - | - | 0.97 | - | 1.30 | - | - | - | 0.02 | 0.12 | - | - | 0.33 | 0.06 | - | - | 0.12 | 0.25 | 0.08 | 0.18 | - | - | - | - | |
| linoleoyl-linolenoyl-glycerol (18:2/18:3) [2]* | - | 0.21 | - | - | 0.52 | - | 1.71 | - | - | - | - | 0.04 | 0.08 | - | 0.61 | - | - | - | - | 0.20 | 0.15 | 0.18 | - | - | 0.04 | - | |
| linoleoyl-linoleoyl-glycerol (18:2/18:2) [1]* | - | 0.19 | - | - | 0.21 | - | 0.87 | - | - | - | - | - | 0.10 | - | 0.50 | - | 0.19 | - | - | 0.40 | 0.20 | 0.32 | - | 0.03 | - | - | |
| linoleoyl-linoleoyl-glycerol (18:2/18:2) [2]* | - | 0.49 | 0.06 | - | 0.62 | - | 0.81 | - | 0.11 | - | - | - | 0.05 | - | 0.30 | 0.01 | 0.22 | - | - | - | 0.33 | 0.10 | 0.06 | - | - | - | |
| lithocholate sulfate (1) | - | 0.58 | 0.19 | - | 0.03 | 0.79 | 0.22 | - | 0.66 | 0.32 | 0.03 | 0.12 | - | - | 0.23 | - | - | - | - | - | 0.07 | - | - | - | 0.62 | - | |
| lysine | 0.24 | 0.46 | 0.45 | 0.73 | 0.89 | 1.12 | - | - | 0.32 | 0.28 | 0.12 | 0.10 | - | - | 0.43 | 0.29 | 0.08 | - | - | 0.15 | - | - | - | 0.42 | 0.01 | - | |
| malate | 0.37 | - | - | - | 0.75 | 1.34 | 1.80 | - | - | 0.16 | - | 0.20 | - | 0.12 | - | 0.12 | 0.01 | - | - | - | 0.37 | - | 0.05 | - | 0.38 | 0.32 | |
| maleate | 0.10 | - | - | - | - | - | - | - | 1.01 | - | - | - | - | - | 0.31 | 0.21 | 0.16 | 0.25 | 0.38 | - | - | 0.24 | 0.50 | - | - | 0.92 | |
| malonate | 0.00 | - | - | - | - | 0.10 | - | 0.23 | 0.48 | - | 0.06 | - | 0.03 | 0.02 | 0.23 | 0.12 | 0.26 | - | - | - | 0.19 | - | - | - | 0.12 | - | |
| malonylcarnitine | - | 0.19 | - | - | - | 0.85 | 0.24 | - | 0.49 | - | 0.13 | - | - | - | 0.14 | 0.15 | 0.08 | 0.08 | 0.66 | 0.32 | - | 0.44 | 0.24 | - | - | 0.09 | |
| maltose | - | - | - | - | - | - | - | 0.23 | - | 0.19 | - | 0.23 | 0.26 | 0.23 | 0.20 | - | 0.27 | 0.20 | 0.37 | - | - | - | - | - | - | 0.73 | |
| mannitol/sorbitol | - | - | - | 0.58 | 2.01 | - | - | 0.33 | - | - | - | - | 0.05 | 0.10 | 0.26 | 0.10 | - | 0.38 | 0.12 | 0.19 | 0.39 | 0.01 | 0.27 | - | - | - | |
| mannonate* | 0.71 | 0.56 | - | 0.62 | 0.11 | 0.51 | 2.28 | 0.00 | 0.78 | 0.09 | - | 0.17 | - | - | 0.14 | - | 0.03 | - | 0.12 | - | - | 0.20 | 0.11 | - | - | 0.80 | |
| mannose | 0.36 | - | - | - | - | - | - | - | 0.02 | - | 0.09 | - | 0.32 | 0.01 | 0.11 | - | 0.43 | 0.44 | 0.06 | 0.14 | - | 0.13 | - | 0.07 | - | 0.08 | |
| margarate (17:0) | - | 0.57 | 1.89 | 1.32 | 0.20 | 0.55 | 0.88 | 0.38 | - | - | - | - | 0.11 | - | - | 0.09 | 0.08 | 0.02 | - | 0.24 | - | 0.07 | - | 0.45 | - | 0.99 | |
| margaroylcarnitine (C17)* | - | - | 1.34 | 0.43 | 0.78 | 1.10 | 1.80 | 0.15 | 0.71 | 0.49 | 0.18 | 0.15 | 0.06 | 0.04 | 0.11 | - | - | - | - | 0.07 | - | - | - | - | - | - | |
| mead acid (20:3n9) | - | 0.85 | 1.45 | 1.45 | - | - | 1.06 | 1.07 | - | - | - | 0.05 | - | - | - | - | 0.23 | 0.19 | - | 0.01 | 0.07 | - | 0.34 | 0.04 | - | 1.42 | |
| methionine | 0.53 | 0.11 | 0.86 | 0.38 | 1.43 | 0.80 | 0.17 | - | - | - | - | 0.05 | - | - | 0.31 | 0.41 | 0.46 | - | 0.07 | 0.30 | 0.27 | - | - | - | 0.04 | - | |
| methionine sulfone | - | 0.11 | - | - | 0.34 | - | - | - | 0.24 | 0.22 | - | - | - | 0.19 | - | - | - | 0.17 | 0.17 | 0.13 | 0.15 | 0.35 | 0.17 | 0.34 | 0.03 | 0.64 | |
| methionine sulfoxide | 0.41 | - | 0.43 | 0.47 | 2.50 | 0.33 | 1.59 | - | - | - | - | 0.10 | - | - | 0.21 | 0.14 | 0.14 | - | 0.22 | 0.25 | 0.23 | 0.07 | 0.01 | - | 0.15 | 0.01 | |
| methyl-4-hydroxybenzoate sulfate | 1.92 | 0.44 | 1.83 | 1.58 | 0.45 | - | 0.20 | 0.37 | - | 0.27 | - | 0.17 | - | 0.13 | 0.00 | - | 0.03 | 0.33 | 0.30 | - | - | 0.33 | - | - | - | - | |
| methyl glucopyranoside (alpha + beta) | - | - | 0.09 | 0.70 | 0.22 | - | 0.01 | 0.17 | - | 0.36 | - | - | - | 0.12 | - | 0.23 | 0.02 | 0.13 | 0.24 | - | - | - | - | 0.17 | - | 0.39 | |
| methylmalonate (MMA) | 0.14 | 0.85 | - | 1.18 | 0.34 | 0.96 | 1.03 | 0.10 | 0.44 | - | - | - | - | - | 0.14 | 0.02 | - | - | 0.07 | - | 0.03 | 0.02 | 0.54 | - | 0.46 | 0.76 | |
| methylphosphate | - | - | - | - | - | 0.47 | 0.73 | - | - | - | - | 0.07 | - | - | - | - | 0.11 | 0.03 | 0.21 | 0.10 | 0.15 | 0.25 | 0.36 | - | 0.24 | 0.36 | |
| methylsuccinate | 0.66 | 0.08 | 0.74 | 0.27 | 1.02 | - | 1.56 | 0.87 | 0.55 | - | - | 0.21 | 0.06 | 0.04 | 0.12 | - | 0.03 | - | 0.03 | - | - | 0.02 | - | 0.20 | - | - | |
| myo-inositol | 0.61 | - | 0.62 | - | 0.18 | - | - | 0.40 | - | 0.46 | - | 0.17 | - | - | - | 0.55 | 0.06 | - | - | - | 0.11 | - | - | - | - | - | |
| myristate (14:0) | - | 0.63 | 2.22 | 0.75 | 0.35 | 1.06 | 0.36 | 0.28 | - | - | - | - | - | - | - | 0.00 | 0.09 | 0.09 | 0.12 | 0.14 | 0.15 | 0.37 | 0.10 | 0.60 | 0.28 | 1.32 | |
| myristoleate (14:1n5) | 0.19 | 0.63 | 2.06 | 1.27 | 0.08 | 1.40 | 0.33 | 0.42 | 0.45 | - | - | - | - | - | - | 0.14 | 0.14 | 0.12 | 0.08 | 0.18 | 0.29 | 0.41 | 0.07 | 0.52 | - | 1.15 | |
| myristoleoylcarnitine (C14:1)* | 0.85 | 0.91 | 2.18 | 1.07 | 0.28 | 2.45 | 1.18 | 0.87 | 0.98 | - | - | - | 0.09 | - | - | - | - | 0.03 | - | 0.00 | - | 0.21 | 0.10 | 0.37 | 0.20 | - | |
| myristoylcarnitine (C14) | 1.35 | 0.84 | 2.02 | 0.95 | 0.70 | 2.00 | 1.53 | 0.39 | 0.90 | 0.01 | 0.05 | 0.03 | 0.12 | - | - | - | - | - | 0.14 | 0.03 | 0.02 | 0.05 | - | 0.04 | 0.20 | 0.02 | |
| myristoyl dihydrosphingomyelin (d18:0/14:0)* | - | - | - | 0.12 | - | - | - | - | 0.09 | 0.53 | 0.26 | 0.17 | 0.02 | - | 0.38 | - | 0.14 | 0.17 | - | - | - | - | - | - | 0.10 | - | |
| myristoyl-linoleoyl-glycerol (14:0/18:2) [1]* | - | 0.55 | - | - | 0.39 | - | 0.46 | - | 0.28 | - | - | 0.17 | - | - | 0.28 | 0.07 | 0.18 | - | 0.16 | 0.15 | 0.35 | 0.17 | 0.05 | - | - | 0.58 | |
| myristoyl-linoleoyl-glycerol (14:0/18:2) [2]* | - | - | - | - | 0.51 | - | - | - | 0.18 | - | - | 0.13 | - | - | 0.13 | 0.12 | 0.25 | - | 0.35 | 0.08 | 0.37 | 0.31 | - | - | - | 0.51 | |
| N1-Methyl-2-pyridone-5-carboxamide | - | 0.62 | - | 0.94 | - | 0.04 | 0.23 | 1.45 | - | 0.53 | 0.13 | 0.21 | - | - | 0.05 | - | - | 0.02 | 0.44 | 0.00 | - | - | 0.03 | 0.35 | - | - | |
| N1-methylinosine | 0.37 | - | - | 0.40 | 0.24 | - | 1.14 | - | 0.16 | - | - | - | - | - | - | - | - | - | - | 0.33 | 0.44 | 0.44 | 0.43 | 0.53 | 0.32 | 0.33 | |
| N1,N12-diacetylspermine | - | - | - | - | - | - | 2.20 | - | - | - | - | 0.02 | - | - | 0.29 | 0.01 | 0.59 | 0.30 | 0.07 | 0.24 | 0.58 | 0.01 | - | - | - | - | |
| N2-acetyl,N6-methyllysine | 1.09 | 0.48 | 0.41 | - | - | - | 0.78 | 0.95 | 0.08 | 0.42 | - | 0.24 | 0.11 | - | - | - | - | 0.29 | - | - | 0.14 | - | 0.17 | 0.03 | - | - | |
| N2-acetyl,N6,N6-dimethyllysine | 0.23 | 0.39 | - | - | - | - | 1.00 | 0.89 | 0.21 | 0.18 | - | 0.25 | 0.02 | 0.07 | - | - | - | 0.32 | - | - | 0.25 | - | 0.31 | - | - | - | |
| N-(2-furoyl)glycine | - | - | - | - | 1.13 | 0.09 | - | - | 0.72 | - | - | - | - | - | 0.16 | 0.18 | 0.12 | 0.17 | 0.16 | 0.27 | - | - | 0.58 | 0.27 | - | 0.15 | |
| N2,N2-dimethylguanosine | - | - | - | 0.31 | - | - | 1.63 | - | - | 0.22 | - | 0.08 | - | - | - | - | - | - | - | 0.48 | 0.21 | 0.27 | 0.26 | 0.47 | - | 0.17 | |
| N4-acetylcytidine | - | 0.28 | - | 0.84 | 0.01 | 0.42 | 0.47 | 0.24 | 0.88 | 0.13 | - | 0.01 | - | - | - | 0.07 | - | 0.08 | 0.05 | 0.07 | 0.45 | 0.25 | - | 0.13 | 0.37 | 0.92 | |
| N6-acetyllysine | - | - | 0.35 | 1.83 | 0.58 | - | 0.25 | 0.79 | 0.41 | - | - | - | - | - | 0.31 | - | 0.23 | 0.59 | 0.17 | 0.04 | - | 0.02 | - | - | - | - | |
| N6-carbamoylthreonyladenosine | 1.18 | 1.01 | - | 0.96 | - | - | 0.28 | 0.93 | - | - | - | 0.14 | - | 0.05 | - | - | - | - | 0.27 | 0.09 | 0.20 | 0.11 | 0.64 | 0.51 | 0.27 | 0.37 | |
| N6-carboxymethyllysine | - | 0.79 | 1.01 | 0.13 | - | - | 1.13 | 0.71 | - | - | - | - | 0.01 | - | 0.20 | 0.05 | 0.11 | 0.21 | 0.05 | 0.00 | 0.18 | 0.09 | 0.29 | - | - | - | |
| N6-methyladenosine | - | - | - | - | - | - | - | 0.45 | - | - | 0.17 | 0.07 | - | 0.17 | 0.27 | - | 0.25 | 0.29 | 0.00 | 0.07 | 0.14 | - | - | - | - | 0.27 | |
| N6-methyllysine | - | - | - | - | 0.00 | - | - | 0.35 | 0.33 | 0.31 | 0.19 | 0.14 | 0.07 | - | 0.04 | - | - | - | 0.16 | - | - | 0.07 | 0.16 | - | - | - | |
| N6,N6-dimethyllysine | 0.38 | - | - | 0.67 | 0.64 | - | 0.68 | 0.41 | - | 0.17 | 0.04 | 0.01 | - | 0.07 | - | - | - | 0.06 | 0.07 | - | - | 0.13 | 0.53 | - | - | - | |
| N6,N6,N6-trimethyllysine | 0.42 | 0.50 | - | 0.89 | 0.19 | - | 0.43 | 0.06 | - | 0.09 | - | 0.01 | - | - | 0.04 | 0.21 | - | - | - | - | - | 0.20 | 0.21 | 0.06 | 0.40 | 0.00 | |
| N(8)-acetylspermidine | - | - | - | - | - | - | - | - | - | 0.50 | 0.18 | - | 0.20 | 0.14 | 0.11 | - | - | - | - | 0.32 | - | 0.27 | - | 0.29 | - | - | |
| N-acetyl-1-methylhistidine* | 0.98 | 1.36 | 0.17 | - | - | - | 1.15 | 1.11 | - | 0.13 | - | 0.17 | - | - | - | - | - | 0.21 | - | 0.10 | 0.39 | 0.08 | 0.42 | 0.33 | - | - | |
| N-acetyl-2-aminooctanoate* | 0.22 | 1.25 | 1.12 | - | 0.51 | - | 1.35 | 0.67 | - | 0.29 | - | - | 0.30 | 0.30 | - | - | - | 0.04 | - | - | - | 0.06 | 0.17 | - | - | - | |
| N-acetyl-3-methylhistidine* | 0.57 | 0.57 | - | - | - | 0.03 | 0.77 | 0.62 | - | - | - | - | - | - | - | 0.15 | - | 0.35 | 0.01 | 0.01 | 0.17 | - | 0.64 | 0.24 | - | 0.22 | |
| N-acetylalanine | 1.28 | 1.59 | - | 1.34 | - | 0.89 | 2.93 | - | 0.23 | 0.15 | - | 0.17 | - | 0.13 | 0.29 | - | - | - | - | - | 0.25 | 0.00 | 0.17 | - | 0.20 | - | |
| N-acetylalliin | 0.64 | - | - | 0.53 | - | - | - | 0.67 | 0.14 | - | 0.19 | 0.10 | 0.04 | - | 0.16 | - | - | 0.30 | - | - | - | 0.01 | 0.61 | - | - | - | |
| N-acetylarginine | - | 1.16 | 0.51 | - | 0.03 | - | - | 0.61 | - | 0.08 | - | 0.27 | - | - | - | 0.15 | 0.30 | 0.39 | - | 0.07 | 0.20 | - | - | 0.06 | - | - | |
| N-acetylasparagine | 0.69 | 0.38 | 0.38 | - | - | - | - | 0.06 | - | 0.22 | - | 0.20 | 0.11 | 0.25 | - | - | 0.08 | 0.24 | - | - | 0.25 | - | - | - | - | - | |
| N-acetylaspartate (NAA) | 1.15 | - | 0.45 | - | - | 1.22 | 0.12 | - | - | 0.03 | - | - | - | 0.02 | - | - | 0.02 | - | 0.25 | 0.01 | 0.39 | 0.45 | 0.01 | 0.40 | - | - | |
| N-acetyl-aspartyl-glutamate (NAAG) | - | - | 0.89 | 1.38 | - | 1.43 | 0.13 | 0.41 | 0.87 | 0.04 | 0.13 | 0.14 | - | - | - | - | - | 0.11 | 0.06 | - | 0.04 | 0.18 | - | - | 0.14 | 0.06 | |
| N-acetyl-beta-alanine | - | 0.27 | 0.30 | 0.60 | - | - | 0.18 | - | 0.36 | 0.07 | 0.18 | 0.08 | 0.04 | 0.05 | 0.06 | - | 0.09 | 0.09 | 0.17 | 0.15 | 0.26 | - | - | - | 0.06 | 0.09 | |
| N-acetylcarnosine | 0.86 | 0.72 | 0.22 | - | - | - | 0.26 | 0.50 | 0.68 | 0.47 | 0.24 | 0.04 | 0.05 | 0.07 | - | - | - | - | - | 0.07 | 0.24 | 0.24 | - | 0.19 | - | - | |
| N-acetylcitrulline | 0.91 | 0.94 | 0.39 | 0.61 | 0.32 | - | 1.21 | 0.82 | - | - | - | 0.09 | 0.06 | 0.11 | - | - | 0.07 | 0.14 | 0.04 | 0.10 | 0.09 | - | - | 0.16 | - | - | |
| N-acetylglucosamine/N-acetylgalactosamine | 1.02 | - | 0.20 | 0.24 | - | 0.42 | 0.81 | - | 0.21 | - | 0.01 | 0.21 | - | 0.05 | 0.13 | - | - | - | - | 0.23 | 0.43 | 0.17 | 0.29 | - | 0.05 | - | |
| N-acetylglutamate | 1.38 | 0.66 | - | - | - | 0.17 | 0.85 | 0.27 | 0.23 | - | - | 0.31 | 0.19 | - | - | - | 0.18 | - | 0.41 | - | 0.24 | - | - | - | - | - | |
| N-acetylglutamine | - | 0.90 | - | 0.92 | - | - | 1.35 | - | 0.29 | - | - | - | 0.16 | 0.10 | - | 0.18 | 0.36 | - | 0.35 | - | 0.54 | - | - | - | - | - | |
| N-acetylglycine | 0.58 | - | 2.97 | 0.45 | - | - | - | 0.51 | 0.49 | 0.02 | - | - | 0.09 | 0.28 | 0.17 | - | 0.30 | 0.11 | - | - | 0.31 | - | - | - | - | 0.03 | |
| N-acetylhistidine | - | 0.32 | - | 0.37 | - | - | 0.34 | - | 0.33 | - | - | - | 0.05 | 0.03 | - | 0.13 | - | 0.43 | 0.49 | 0.12 | 0.52 | - | 0.19 | - | 0.21 | 0.00 | |
| N-acetylisoleucine | 1.19 | 0.22 | - | 0.67 | 0.31 | - | 2.10 | - | - | - | - | 0.03 | - | 0.04 | 0.02 | 0.49 | - | - | 0.20 | - | 0.19 | 0.21 | 0.03 | - | - | - | |
| N-acetyl-isoputreanine* | - | - | 0.24 | 0.10 | 0.32 | - | 0.47 | - | - | - | - | - | - | - | - | - | - | - | 0.23 | 0.38 | 0.36 | 0.35 | 0.72 | 0.44 | 0.24 | - | |
| N-acetylleucine | - | 1.31 | 0.25 | 0.78 | 1.02 | 0.17 | 2.69 | - | - | - | - | 0.02 | - | - | 0.00 | 0.20 | 0.19 | - | 0.17 | 0.07 | 0.31 | 0.20 | 0.14 | - | - | 0.57 | |
| N-acetylmethionine | 1.43 | 0.84 | 1.29 | 0.38 | 0.28 | 1.98 | - | - | 0.75 | 0.39 | 0.20 | 0.15 | - | 0.19 | - | 0.14 | - | - | - | - | 0.28 | - | - | - | - | - | |
| N-acetylmethionine sulfoxide | 1.81 | 0.26 | 0.87 | 0.37 | 0.86 | 0.87 | 1.68 | - | 0.18 | - | - | 0.11 | - | 0.35 | - | 0.00 | - | - | 0.07 | - | 0.06 | - | 0.13 | - | 0.30 | 0.52 | |
| N-acetylneuraminate | 0.85 | - | - | - | - | 0.12 | 1.76 | - | 0.53 | 0.12 | 0.24 | 0.07 | 0.05 | 0.00 | - | 0.03 | - | - | - | - | 0.45 | 0.04 | - | - | - | - | |
| N-acetylphenylalanine | 0.15 | 0.86 | 0.43 | 1.25 | 1.37 | 0.65 | 3.36 | - | 0.16 | - | - | 0.08 | - | - | 0.04 | 0.06 | 0.00 | - | 0.22 | 0.08 | 0.39 | 0.08 | 0.13 | - | - | 0.20 | |
| N-acetylproline | - | 0.02 | 0.08 | 0.67 | 1.73 | 0.37 | 2.28 | - | 0.35 | - | - | 0.03 | - | - | 0.10 | 0.18 | 0.14 | 0.01 | 0.21 | 0.22 | 0.33 | - | 0.41 | - | 0.09 | 0.11 | |
| N-acetylputrescine | - | - | - | - | - | - | - | - | - | 0.28 | - | 0.05 | 0.00 | 0.08 | 0.02 | 0.14 | - | 0.12 | 0.15 | 0.15 | 0.08 | 0.05 | 0.13 | - | 0.05 | 0.07 | |
| N-acetylserine | 0.12 | 1.58 | 1.34 | 1.94 | 1.64 | 0.39 | 3.62 | - | - | - | - | 0.06 | - | 0.03 | 0.14 | - | - | - | 0.09 | - | 0.20 | - | 0.34 | - | 0.18 | 0.49 | |
| N-acetyltaurine | 0.37 | 0.99 | 0.55 | 0.75 | 0.40 | 0.71 | 1.99 | - | 0.65 | - | 0.04 | - | 0.09 | 0.21 | - | 0.14 | 0.16 | - | 0.20 | - | 0.29 | - | - | - | 0.03 | 0.16 | |
| N-acetyltheanine | - | - | 0.61 | 0.25 | - | 0.01 | - | - | 0.62 | - | - | - | 0.02 | - | 0.39 | 0.06 | 0.39 | 0.08 | - | 0.56 | 0.19 | 0.30 | - | 0.03 | - | - | |
| N-acetylthreonine | 0.28 | 0.97 | - | 1.78 | 0.45 | 0.83 | 2.28 | - | 0.54 | 0.16 | - | - | - | 0.10 | - | 0.09 | - | - | - | - | 0.22 | - | 0.10 | 0.27 | 0.13 | 0.25 | |
| N-acetyltryptophan | 1.61 | 0.15 | - | 1.28 | 0.22 | 0.91 | 2.07 | 0.07 | - | 0.11 | 0.05 | 0.06 | 0.01 | - | - | 0.28 | - | 0.07 | 0.22 | - | - | - | - | 0.13 | - | - | |
| N-acetylvaline | 0.77 | 1.35 | - | 1.70 | 0.95 | 0.65 | 3.56 | - | 0.05 | - | - | 0.18 | - | 0.03 | 0.15 | 0.10 | - | - | - | - | 0.07 | - | 0.21 | - | - | 0.06 | |
| N-alpha-acetylornithine | 0.28 | - | - | 0.56 | 0.93 | 0.48 | 2.38 | 0.08 | - | 0.05 | - | 0.04 | - | 0.07 | 0.08 | 0.13 | - | - | 0.04 | 0.08 | 0.28 | - | 0.11 | - | 0.02 | 0.30 | |
| N-behenoyl-sphingadienine (d18:2/22:0)* | - | 0.40 | - | 0.48 | - | 0.67 | 0.11 | - | 0.32 | 0.41 | 0.18 | 0.05 | 0.41 | - | 0.19 | - | - | - | - | - | 0.19 | - | - | - | - | 0.20 | |
| N-carbamoylaspartate | - | - | 0.06 | - | - | 0.79 | - | 0.04 | 0.06 | - | - | 0.22 | - | 0.24 | 0.23 | 0.11 | 0.21 | - | 0.27 | - | 0.07 | - | - | - | - | 0.69 | |
| N-delta-acetylornithine | - | 0.01 | - | 0.64 | 0.75 | - | - | 0.07 | 0.04 | 0.23 | - | - | - | - | - | 0.26 | - | 0.21 | 0.13 | - | 0.21 | 0.13 | 0.12 | - | 0.01 | 1.24 | |
| nervonoylcarnitine (C24:1)* | - | 0.21 | 0.96 | 0.26 | - | - | - | - | 0.41 | 0.07 | 0.33 | 0.14 | 0.01 | - | 0.11 | - | 0.08 | - | 0.09 | 0.37 | - | 0.15 | - | - | - | - | |
| N-formylanthranilic acid | - | - | 0.70 | 0.80 | - | 0.02 | - | - | 0.24 | 0.21 | 0.26 | - | 0.06 | 0.07 | 0.31 | - | - | - | 0.19 | 0.33 | 0.07 | 0.03 | - | - | - | - | |
| N-formylmethionine | 1.64 | 1.53 | 0.00 | 0.06 | 0.10 | 0.62 | 0.38 | 0.02 | 0.29 | 0.15 | 0.05 | - | - | - | 0.03 | - | - | - | - | 0.22 | 0.06 | 0.24 | - | 0.57 | - | - | |
| N-formylphenylalanine | - | - | 0.16 | 0.22 | - | 0.79 | 0.49 | - | - | - | - | 0.11 | - | 0.03 | - | 0.22 | - | 0.42 | - | 0.43 | 0.36 | 0.01 | 0.18 | - | - | 0.20 | |
| nicotinamide | 1.56 | 0.52 | 1.47 | 1.03 | 0.48 | 1.90 | 1.82 | - | 0.71 | 0.42 | - | - | - | 0.18 | - | - | - | - | - | 0.09 | 0.13 | 0.36 | 0.16 | 0.15 | 0.32 | - | |
| nicotinamide N-oxide | - | 0.60 | - | 0.93 | - | - | - | 0.10 | - | 0.41 | 0.14 | 0.26 | - | - | 0.05 | - | - | - | 0.06 | - | - | - | - | 0.28 | - | - | |
| nicotinamide riboside | 0.55 | - | 0.37 | - | - | 0.79 | 0.87 | - | 0.13 | - | - | - | - | - | - | - | 0.06 | 0.04 | 0.14 | 0.41 | 0.58 | 0.35 | 0.64 | 0.33 | 0.54 | 0.35 | |
| nisinate (24:6n3) | - | 0.73 | 0.08 | 0.63 | 0.02 | 0.18 | 0.29 | 0.41 | - | 0.22 | 0.28 | 0.19 | - | - | - | 0.02 | 0.07 | 0.02 | - | - | - | - | - | 0.26 | - | 0.21 | |
| N-linoleoylserine* | - | - | 0.90 | 0.52 | 0.33 | 0.69 | 0.51 | 0.66 | - | - | - | 0.11 | - | 0.23 | - | - | 0.06 | - | - | - | - | 0.19 | 0.07 | - | 0.32 | 0.33 | |
| N-methylhydroxyproline | - | - | 0.64 | 0.49 | - | - | 0.40 | 0.80 | - | - | - | - | 0.15 | 0.31 | - | 0.08 | - | 0.29 | 0.08 | - | 0.31 | - | - | 0.28 | - | 0.49 | |
| N-methylpipecolate | - | - | - | - | - | - | - | 0.79 | 0.54 | 0.23 | 0.30 | 0.07 | - | - | - | - | - | 0.08 | 0.24 | - | - | 0.14 | 0.42 | - | - | - | |
| N-methylproline | - | - | 1.02 | 0.20 | - | - | 0.42 | 0.75 | - | 0.01 | - | - | 0.04 | 0.33 | - | 0.30 | 0.04 | 0.17 | 0.19 | - | 0.10 | - | - | 0.30 | - | 0.53 | |
| N,N-dimethyl-5-aminovalerate | 0.18 | - | 0.20 | 0.84 | - | - | - | 0.63 | 0.33 | 0.29 | - | - | 0.03 | 0.25 | - | - | 0.09 | 0.12 | 0.28 | 0.17 | 0.11 | - | - | - | - | 0.11 | |
| N,N-dimethylalanine | - | - | 1.71 | 1.13 | - | - | - | 0.31 | - | 0.15 | 0.09 | 0.02 | 0.02 | - | - | 0.20 | - | 0.28 | - | 0.15 | 0.28 | - | - | 0.19 | - | - | |
| N,N,N-trimethyl-5-aminovalerate | 1.09 | - | - | 0.40 | 0.36 | - | 0.28 | - | 0.35 | - | 0.07 | - | - | - | 0.18 | 0.06 | - | 0.13 | 0.41 | 0.03 | - | 0.18 | - | 0.25 | 0.02 | 0.12 | |
| N,N,N-trimethyl-alanylproline betaine (TMAP) | 1.65 | 0.52 | 0.15 | 0.46 | 0.42 | - | 1.23 | 0.48 | 0.54 | 0.53 | 0.26 | 0.04 | 0.08 | 0.02 | - | - | - | - | - | - | - | - | - | 0.38 | 0.13 | - | |
| N-oleoylserine | 0.53 | - | 0.98 | 0.42 | 0.26 | 1.46 | 0.72 | 0.60 | - | 0.08 | - | - | - | 0.13 | - | 0.08 | 0.11 | - | - | - | - | 0.01 | - | 0.35 | 0.35 | 0.25 | |
| N-oleoyltaurine | 1.50 | 0.46 | 0.74 | 0.54 | - | 0.62 | 1.71 | 0.14 | 0.19 | - | - | - | 0.01 | - | - | - | 0.06 | - | - | 0.45 | - | 0.29 | - | - | 0.47 | 0.82 | |
| nonadecanoate (19:0) | - | 0.29 | 1.51 | 1.72 | 0.29 | - | 1.10 | 0.01 | - | 0.23 | - | - | 0.27 | 0.01 | 0.05 | 0.08 | - | - | - | 0.09 | - | - | - | - | - | 0.70 | |
| nonanoylcarnitine (C9) | 1.17 | 0.56 | 1.07 | 0.59 | 0.95 | 0.92 | 0.94 | 0.75 | 0.02 | 0.08 | 0.16 | - | - | - | - | 0.00 | 0.14 | 0.20 | - | 0.03 | 0.01 | 0.31 | 0.02 | 0.87 | 0.26 | - | |
| N-oxalyl glycine (NOG) | 1.46 | 0.03 | 0.86 | 1.25 | 0.17 | 0.49 | - | - | - | 0.03 | - | - | - | 0.07 | - | 0.20 | 0.31 | - | 0.12 | 0.09 | 0.46 | 0.03 | - | - | - | - | |
| N-palmitoylglycine | 1.94 | 0.57 | 1.11 | 0.92 | - | 0.78 | 1.33 | - | 0.05 | - | - | - | 0.14 | - | - | - | 0.28 | - | 0.02 | 0.14 | 0.03 | 0.31 | 0.01 | - | 0.41 | 0.42 | |
| N-palmitoyl-heptadecasphingosine (d17:1/16:0)* | - | - | 0.85 | 0.18 | 0.09 | - | 0.20 | - | 0.41 | 0.11 | 0.19 | 0.04 | 0.10 | - | 0.21 | 0.07 | - | - | 0.03 | - | - | - | 0.05 | - | 0.23 | - | |
| N-palmitoylserine | 0.29 | - | 0.29 | 0.09 | 0.07 | 1.05 | - | 0.81 | - | 0.01 | 0.01 | 0.13 | 0.02 | 0.06 | - | - | 0.07 | - | - | - | - | - | - | - | 0.30 | 0.46 | |
| N-palmitoyl-sphingadienine (d18:2/16:0)* | - | - | 1.03 | 0.56 | - | 0.73 | 1.06 | - | 0.35 | - | - | 0.04 | 0.20 | 0.12 | 0.45 | - | 0.04 | - | - | - | 0.01 | 0.03 | - | - | - | 0.55 | |
| N-palmitoyl-sphinganine (d18:0/16:0) | - | - | 1.03 | - | 0.75 | - | - | - | 0.11 | - | - | - | 0.26 | - | 0.29 | - | 0.33 | - | 0.28 | 0.10 | - | 0.25 | 0.23 | - | 0.29 | 0.25 | |
| N-palmitoyl-sphingosine (d18:1/16:0) | - | - | 0.69 | - | - | - | - | - | - | - | - | 0.07 | 0.19 | - | 0.64 | - | 0.21 | - | 0.17 | 0.24 | - | 0.30 | 0.21 | - | 0.04 | - | |
| N-stearoylserine* | 0.44 | 0.07 | 1.05 | 0.39 | - | 0.82 | - | 0.41 | - | 0.13 | 0.10 | 0.03 | 0.07 | 0.37 | - | - | 0.07 | - | - | - | - | - | 0.05 | 0.00 | 0.04 | 0.17 | |
| N-stearoyl-sphingadienine (d18:2/18:0)* | 0.75 | 0.30 | 0.07 | - | - | 0.19 | 0.70 | - | 0.23 | - | 0.05 | - | 0.17 | - | 0.02 | - | 0.07 | - | 0.01 | 0.19 | 0.14 | 0.42 | 0.07 | - | 0.05 | 0.55 | |
| N-stearoyl-sphinganine (d18:0/18:0)* | - | - | - | - | - | - | 1.03 | - | - | - | - | - | - | - | 0.11 | 0.01 | 0.08 | 0.21 | 0.03 | 0.25 | - | 0.60 | 0.28 | 0.06 | 0.08 | 1.20 | |
| N-stearoyl-sphingosine (d18:1/18:0)* | 0.11 | 0.43 | - | - | - | - | 0.04 | 0.01 | - | - | - | - | 0.17 | - | 0.19 | - | 0.24 | - | 0.01 | 0.26 | 0.27 | 0.48 | 0.12 | - | 0.02 | 0.72 | |
| O-acetylhomoserine | 0.47 | 0.69 | - | - | 0.70 | - | - | - | 0.08 | - | - | 0.08 | 0.15 | - | 0.13 | 0.20 | 0.05 | - | 0.04 | - | 0.01 | - | 0.19 | 0.16 | - | - | |
| o-cresol sulfate | 0.72 | 0.23 | 1.17 | - | 0.22 | 1.89 | 2.52 | - | 1.23 | - | - | 0.17 | - | 0.18 | 0.13 | 0.03 | - | - | - | 0.12 | 0.31 | - | 0.07 | - | 0.19 | 0.04 | |
| octadecadienedioate (C18:2-DC)* | - | 0.10 | 0.65 | 0.03 | 2.16 | 0.80 | - | 0.02 | - | - | - | - | - | 0.03 | - | 0.29 | 0.23 | 0.18 | 0.34 | 0.04 | - | 0.12 | 0.30 | - | 0.50 | - | |
| octadecanedioate (C18) | 0.81 | - | 0.66 | 0.49 | - | 0.35 | 1.23 | 0.16 | - | - | - | - | 0.17 | 0.13 | 0.24 | 0.17 | 0.07 | - | - | - | - | 0.19 | - | 0.10 | 0.05 | 0.30 | |
| octadecanedioylcarnitine (C18-DC)* | - | 0.25 | 0.55 | 0.63 | 0.23 | 0.48 | 0.88 | 0.15 | 0.07 | - | - | - | - | - | - | 0.14 | - | - | - | 0.09 | - | 0.51 | 0.38 | 0.28 | 0.41 | 0.31 | |
| octadecenedioate (C18:1-DC)* | - | - | 0.87 | - | 0.93 | 0.01 | - | 0.18 | - | - | - | - | 0.01 | - | 0.12 | 0.45 | 0.23 | 0.24 | 0.21 | 0.14 | - | 0.12 | 0.32 | 0.14 | 0.49 | 0.30 | |
| octadecenedioylcarnitine (C18:1-DC)* | - | - | 0.93 | 0.53 | 0.64 | - | - | 0.34 | 0.15 | - | - | - | - | - | - | 0.14 | 0.04 | 0.12 | 0.25 | 0.17 | - | 0.47 | 0.47 | - | 0.49 | 0.50 | |
| octanoylcarnitine (C8) | 0.78 | 0.71 | 1.26 | 0.84 | 0.17 | 0.88 | 0.91 | 1.02 | 0.39 | - | - | - | 0.10 | - | - | - | 0.28 | 0.31 | - | - | 0.04 | 0.33 | 0.12 | 1.14 | 0.15 | - | |
| oleate/vaccenate (18:1) | - | 0.51 | 1.69 | 0.96 | - | 1.04 | 0.27 | 0.24 | - | - | - | - | - | - | - | 0.22 | 0.23 | 0.13 | 0.11 | 0.33 | - | 0.43 | 0.26 | 0.65 | 0.18 | 0.76 | |
| oleoyl-arachidonoyl-glycerol (18:1/20:4) [1]* | - | - | 0.03 | - | - | - | 0.03 | 0.15 | - | 0.03 | 0.37 | - | 0.04 | - | 0.23 | - | - | 0.25 | - | - | 0.21 | 0.11 | - | - | 0.16 | 0.32 | |
| oleoyl-arachidonoyl-glycerol (18:1/20:4) [2]* | - | 0.26 | - | - | 0.16 | - | 0.66 | 0.12 | - | 0.17 | 0.36 | 0.00 | 0.07 | - | 0.15 | - | - | 0.13 | - | - | 0.19 | 0.14 | - | - | 0.33 | - | |
| oleoylcarnitine (C18) | 0.25 | - | 2.40 | 0.68 | 0.39 | 2.19 | 2.22 | - | 0.90 | 0.12 | 0.16 | 0.19 | - | - | 0.10 | - | - | - | 0.00 | - | - | - | - | 0.03 | 0.07 | - | |
| oleoylcholine | - | - | 0.08 | - | - | 0.32 | - | 0.39 | - | 0.44 | 0.38 | 0.09 | 0.04 | 0.23 | - | - | - | 0.28 | - | - | - | - | 0.02 | - | - | 0.21 | |
| oleoyl ethanolamide | 1.65 | 0.77 | 1.84 | 0.89 | - | 1.06 | 0.14 | - | 0.02 | - | - | - | 0.20 | - | 0.11 | - | 0.10 | 0.11 | - | 0.02 | 0.11 | 0.01 | 0.02 | 0.25 | 0.11 | - | |
| oleoyl-linolenoyl-glycerol (18:1/18:3) [2]* | - | 0.65 | - | - | 0.55 | - | 0.80 | - | 0.38 | 0.19 | - | - | - | - | 0.37 | 0.17 | 0.06 | 0.25 | 0.17 | - | - | 0.16 | 0.15 | - | - | - | |
| oleoyl-linoleoyl-glycerol (18:1/18:2) [1] | - | - | - | - | - | - | 0.57 | - | - | - | - | - | 0.05 | - | 0.55 | - | 0.22 | - | 0.07 | 0.60 | 0.09 | 0.41 | 0.16 | 0.10 | 0.23 | - | |
| oleoyl-linoleoyl-glycerol (18:1/18:2) [2] | - | - | - | - | 0.09 | - | 0.66 | - | - | - | - | - | 0.03 | - | 0.54 | - | 0.22 | - | 0.02 | 0.52 | 0.12 | 0.37 | 0.18 | 0.13 | 0.25 | - | |
| oleoyl-oleoyl-glycerol (18:1/18:1) [1]* | - | - | - | - | 0.12 | 0.18 | 0.39 | - | 0.52 | 0.15 | - | - | - | - | 0.19 | - | 0.04 | 0.02 | 0.41 | 0.22 | 0.24 | 0.41 | 0.26 | - | 0.31 | - | |
| oleoyl-oleoyl-glycerol (18:1/18:1) [2]* | - | - | - | - | - | 0.04 | 0.03 | - | 0.67 | - | - | - | 0.04 | - | 0.25 | 0.02 | 0.16 | - | 0.47 | 0.32 | - | 0.45 | 0.20 | 0.37 | 0.23 | 0.50 | |
| ornithine | 0.08 | - | 0.86 | 0.01 | 1.05 | 1.60 | 1.44 | - | 0.32 | 0.15 | - | 0.14 | - | 0.14 | 0.07 | 0.09 | - | - | 0.06 | 0.00 | 0.34 | - | 0.15 | - | 0.29 | - | |
| orotate | - | - | 0.58 | - | 0.58 | - | 0.39 | 0.54 | - | 0.13 | - | 0.28 | - | 0.25 | 0.27 | 0.17 | 0.02 | - | 0.38 | - | - | - | - | 0.04 | 0.14 | 0.13 | |
| orotidine | 0.63 | - | 0.64 | 0.75 | 0.25 | 0.54 | 1.31 | 0.30 | 0.03 | - | - | - | - | 0.17 | - | - | - | - | 0.08 | 0.19 | 0.37 | 0.10 | 0.09 | - | 0.47 | 0.84 | |
| O-sulfo-L-tyrosine | 0.28 | 0.66 | - | 1.37 | - | - | 1.90 | - | 0.47 | 0.03 | 0.06 | - | - | - | 0.02 | - | - | - | - | 0.07 | 0.45 | 0.31 | 0.33 | 0.43 | 0.14 | 0.48 | |
| oxalate (ethanedioate) | 0.72 | - | 0.01 | 0.63 | - | - | - | 0.08 | - | 0.45 | 0.40 | 0.08 | 0.17 | - | 0.11 | 0.09 | 0.26 | 0.37 | - | - | - | - | - | - | - | - | |
| palmitate (16:0) | - | 0.61 | 2.00 | 1.12 | 0.05 | 1.01 | 0.52 | 0.08 | - | - | - | - | - | - | - | 0.07 | 0.18 | 0.09 | - | 0.19 | 0.00 | 0.39 | 0.16 | 0.65 | 0.20 | 1.03 | |
| palmitoleate (16:1n7) | - | 0.08 | 2.02 | 0.97 | - | 1.10 | 0.72 | 0.43 | 0.06 | - | - | - | - | - | - | 0.06 | 0.13 | 0.13 | - | 0.17 | 0.26 | 0.52 | 0.15 | 0.62 | - | 1.39 | |
| palmitoleoyl-arachidonoyl-glycerol (16:1/20:4) [2]* | - | 0.50 | 0.41 | 0.62 | 0.15 | - | - | 0.03 | 0.45 | - | 0.38 | 0.27 | 0.07 | - | - | - | 0.02 | 0.01 | - | - | 0.53 | 0.02 | - | - | - | 0.61 | |
| palmitoleoylcarnitine (C16:1)* | 1.00 | 0.55 | 2.11 | 1.14 | 0.13 | 2.51 | 1.91 | 0.39 | 1.03 | 0.01 | 0.09 | 0.10 | - | - | - | - | - | - | 0.01 | 0.02 | - | 0.12 | - | 0.11 | 0.05 | 0.10 | |
| palmitoleoyl-linoleoyl-glycerol (16:1/18:2) [1]* | - | - | - | - | - | - | 0.85 | - | 0.06 | - | - | 0.03 | - | - | 0.24 | - | 0.22 | - | 0.22 | 0.39 | 0.53 | 0.32 | - | - | - | 0.56 | |
| palmitoloelycholine | 0.20 | - | - | - | - | 0.20 | - | 0.37 | - | 0.37 | 0.37 | 0.15 | - | 0.13 | - | - | 0.08 | 0.38 | - | 0.07 | - | - | - | - | - | 0.57 | |
| palmitoyl-arachidonoyl-glycerol (16:0/20:4) [1]* | - | 0.12 | - | - | - | - | 0.33 | 0.14 | - | - | 0.09 | 0.08 | - | - | - | - | 0.12 | 0.25 | - | - | 0.56 | 0.06 | 0.10 | 0.04 | - | 1.07 | |
| palmitoyl-arachidonoyl-glycerol (16:0/20:4) [2]* | - | 0.35 | - | - | - | - | 0.62 | - | - | - | 0.05 | 0.09 | - | - | 0.03 | 0.00 | 0.16 | 0.19 | 0.06 | - | 0.46 | 0.26 | 0.11 | - | - | 0.78 | |
| palmitoylcarnitine (C16) | 1.33 | 0.13 | 2.22 | 0.88 | - | 1.74 | 2.35 | - | 0.50 | 0.11 | 0.10 | 0.28 | 0.10 | - | - | - | - | - | 0.12 | - | - | - | - | - | - | - | |
| palmitoylcholine | - | - | 0.26 | - | - | 0.35 | - | 0.43 | - | 0.37 | 0.39 | 0.10 | 0.07 | 0.26 | - | - | 0.02 | 0.37 | - | - | - | - | - | - | - | 0.07 | |
| palmitoyl dihydrosphingomyelin (d18:0/16:0)* | - | - | 1.54 | - | - | - | - | - | - | 0.26 | 0.13 | 0.04 | 0.05 | - | 0.32 | - | 0.32 | 0.01 | - | 0.32 | - | - | 0.00 | - | 0.34 | - | |
| palmitoyl-docosahexaenoyl-glycerol (16:0/22:6) [1]* | - | - | - | - | 0.60 | - | - | - | - | - | 0.06 | 0.21 | 0.08 | - | - | - | - | - | 0.11 | 0.04 | - | 0.17 | - | 0.36 | - | 0.02 | |
| palmitoyl ethanolamide | 3.28 | 0.53 | 1.85 | 1.20 | - | 1.63 | 0.26 | - | - | 0.19 | 0.15 | - | 0.22 | 0.07 | - | - | - | 0.03 | - | - | 0.23 | 0.12 | - | 0.27 | 0.10 | - | |
| palmitoyl-linolenoyl-glycerol (16:0/18:3) [2]* | - | 0.09 | - | - | 0.79 | - | 1.32 | - | 0.26 | - | 0.15 | 0.12 | - | - | 0.19 | 0.13 | - | 0.02 | 0.03 | 0.04 | 0.28 | 0.20 | 0.13 | - | - | 0.16 | |
| palmitoyl-linoleoyl-glycerol (16:0/18:2) [1]* | - | 0.24 | - | - | - | - | 1.24 | - | - | - | - | - | - | - | 0.25 | - | 0.20 | - | 0.07 | 0.31 | 0.46 | 0.47 | 0.31 | 0.14 | 0.29 | 0.68 | |
| palmitoyl-linoleoyl-glycerol (16:0/18:2) [2]* | - | 0.30 | - | - | - | - | 1.40 | - | - | - | - | - | - | - | 0.31 | - | 0.27 | - | 0.14 | 0.26 | 0.49 | 0.44 | 0.31 | 0.05 | 0.28 | 0.58 | |
| palmitoyl-oleoyl-glycerol (16:0/18:1) [1]* | - | - | 0.10 | - | 0.30 | - | 0.98 | - | 0.50 | - | - | 0.10 | - | - | - | - | - | - | 0.34 | 0.07 | 0.16 | 0.46 | 0.36 | 0.08 | - | 0.20 | |
| palmitoyl-oleoyl-glycerol (16:0/18:1) [2]* | - | - | - | - | - | - | 1.11 | - | 0.09 | - | - | - | - | - | 0.16 | 0.05 | 0.20 | - | 0.42 | 0.21 | 0.33 | 0.41 | 0.40 | 0.18 | 0.26 | 1.03 | |
| palmitoyl sphingomyelin (d18:1/16:0) | - | - | 1.39 | - | - | - | - | - | 0.09 | 0.25 | 0.18 | 0.01 | 0.11 | 0.04 | 0.68 | - | 0.11 | 0.07 | - | 0.22 | - | - | - | - | 0.06 | - | |
| palmitoyl-sphingosine-phosphoethanolamine (d18:1/16:0) | - | - | 0.37 | 0.25 | - | - | 0.39 | 0.20 | - | 0.11 | 0.01 | 0.12 | 0.16 | 0.26 | 0.43 | - | 0.11 | - | - | 0.05 | 0.30 | - | - | - | - | - | |
| pantoate | 0.57 | 2.19 | - | - | 0.72 | - | - | 0.68 | 0.22 | - | - | - | - | 0.13 | - | 0.18 | - | - | 0.25 | - | 0.11 | - | 0.19 | 0.08 | 0.18 | 0.34 | |
| pantothenate (Vitamin B5) | 0.66 | 1.31 | - | 0.55 | 0.94 | 0.73 | 1.53 | - | 0.13 | 0.37 | 0.06 | 0.14 | - | 0.01 | - | 0.02 | - | - | - | - | - | - | 0.06 | 0.29 | - | 0.16 | |
| paraxanthine | 1.00 | - | - | - | - | - | - | 0.78 | 0.59 | - | 0.06 | 0.10 | 0.12 | - | 0.26 | 0.16 | - | - | - | 0.10 | 0.07 | 0.07 | 0.29 | - | 0.01 | - | |
| p-cresol glucuronide* | - | 0.93 | 0.41 | 0.43 | 0.26 | 0.75 | - | 0.08 | 0.17 | 0.06 | - | 0.18 | 0.07 | 0.13 | 0.17 | - | - | - | - | 0.27 | - | - | - | 0.21 | 0.14 | - | |
| p-cresol sulfate | - | 0.83 | 0.83 | 0.48 | 0.44 | 0.53 | - | 0.21 | 0.39 | 0.30 | - | 0.11 | - | 0.10 | 0.28 | - | - | - | - | 0.27 | 0.02 | - | - | 0.47 | 0.38 | - | |
| pelargonate (9:0) | 1.90 | 1.59 | 1.07 | 0.24 | 0.24 | 1.72 | 1.99 | 0.67 | 0.41 | - | 0.23 | 0.18 | - | 0.40 | - | - | - | - | - | - | 0.03 | - | - | - | - | - | |
| pentadecanoate (15:0) | - | 0.27 | 2.27 | 1.08 | 0.65 | 1.48 | 1.33 | 0.02 | - | - | - | - | 0.06 | - | - | - | - | - | - | - | 0.02 | 0.07 | - | 0.58 | 0.06 | 1.06 | |
| pentose acid* | - | - | - | - | 1.54 | - | - | 0.28 | - | - | - | - | 0.11 | 0.24 | 0.10 | 0.30 | 0.02 | 0.03 | 0.33 | - | 0.30 | 0.06 | - | - | - | - | |
| perfluorooctanesulfonate (PFOS) | - | 0.08 | - | - | 0.96 | - | - | 0.06 | 0.22 | 0.65 | 0.18 | 0.40 | - | 0.07 | 0.14 | 0.12 | 0.18 | - | - | - | - | - | - | - | - | - | |
| perfluorooctanoate (PFOA) | - | - | - | 0.35 | 1.07 | - | - | 0.23 | 0.69 | 0.44 | 0.17 | 0.24 | - | 0.04 | 0.24 | 0.03 | 0.01 | - | - | - | - | - | - | - | - | - | |
| phenol sulfate | 0.00 | - | 1.21 | 1.18 | 0.12 | 0.66 | - | - | 0.64 | 0.35 | 0.27 | - | - | 0.23 | - | - | - | - | - | - | - | 0.01 | - | 0.42 | - | 0.51 | |
| phenylacetylcarnitine | 0.54 | 1.11 | 1.52 | 1.36 | 0.49 | 0.97 | 0.01 | - | 0.48 | 0.18 | - | 0.17 | - | 0.15 | 0.39 | 0.07 | - | - | - | - | - | - | - | 0.09 | 0.07 | - | |
| phenylacetylglutamine | 0.00 | 0.39 | 0.32 | 0.74 | 0.15 | 0.58 | - | - | 0.60 | 0.21 | - | - | - | 0.08 | 0.25 | 0.00 | - | - | - | 0.11 | 0.02 | - | - | 0.37 | 0.31 | - | |
| phenylalanine | 0.36 | - | 1.75 | - | 0.69 | 1.71 | - | - | 0.35 | - | - | 0.03 | - | 0.02 | 0.28 | 0.30 | 0.22 | - | 0.27 | 0.33 | 0.06 | - | - | - | 0.18 | - | |
| phenylalanylglycine | - | - | - | 0.41 | 0.11 | - | - | - | 0.06 | 0.27 | 0.18 | 0.01 | 0.13 | - | 0.07 | - | 0.28 | 0.30 | 0.00 | 0.08 | - | - | - | 0.54 | - | - | |
| phenyllactate (PLA) | 1.25 | 0.14 | 0.07 | 0.17 | 2.24 | - | 2.23 | - | 0.41 | - | 0.01 | 0.03 | - | - | - | 0.19 | - | - | 0.17 | 0.29 | 0.30 | - | 0.06 | 0.20 | - | 0.11 | |
| phenylpyruvate | 1.10 | - | - | 0.49 | - | 1.14 | 2.59 | - | 0.39 | - | - | 0.28 | - | 0.09 | 0.02 | 0.06 | 0.04 | - | 0.29 | - | 0.18 | - | - | - | - | 0.07 | |
| phosphate | - | - | 0.95 | 0.90 | 0.26 | 0.32 | 2.70 | - | 0.09 | 0.18 | 0.13 | 0.20 | 0.18 | 0.08 | 0.62 | - | 0.02 | - | - | - | - | - | - | - | - | - | |
| phosphocholine | 1.26 | - | 1.22 | 1.56 | 0.26 | - | 1.23 | - | 0.13 | 0.49 | 0.47 | 0.19 | 0.34 | 0.19 | 0.07 | - | - | - | - | - | - | - | - | - | - | - | |
| phosphoethanolamine (PE) | - | - | 0.92 | 1.44 | 0.93 | - | 0.49 | - | 0.78 | 0.68 | 0.39 | 0.02 | 0.23 | - | - | 0.19 | - | - | - | - | - | - | - | - | - | - | |
| phytanate | 0.96 | 0.79 | 0.78 | - | 1.48 | 0.16 | - | 0.00 | 0.07 | 0.30 | - | - | 0.28 | 0.06 | - | 0.08 | 0.08 | - | 0.14 | - | - | - | - | - | - | - | |
| picolinate | - | 0.10 | 0.01 | 0.54 | 0.92 | - | 0.31 | 0.35 | - | 0.22 | - | 0.05 | - | 0.08 | - | 0.08 | - | 0.66 | - | 0.08 | - | 0.01 | 0.09 | 0.63 | - | - | |
| picolinoylglycine | - | - | - | 0.41 | 0.11 | - | - | 0.46 | 0.49 | - | - | - | - | - | - | 0.25 | 0.10 | 0.43 | 0.32 | 0.17 | 0.00 | 0.02 | 0.15 | 0.81 | 0.01 | 0.33 | |
| pimelate (C7-DC) | 1.40 | 0.92 | 1.14 | 0.05 | 0.20 | 1.29 | 2.56 | 0.35 | 0.16 | - | 0.04 | 0.11 | - | 0.43 | - | 0.04 | - | - | 0.10 | - | 0.07 | - | 0.18 | - | 0.08 | 0.01 | |
| pimeloylcarnitine/3-methyladipoylcarnitine (C7-DC) | - | - | 0.85 | 0.12 | 0.90 | 0.16 | - | 0.11 | 0.66 | 0.19 | 0.22 | - | - | 0.11 | - | 0.02 | - | - | 0.43 | - | - | 0.03 | 0.19 | 0.07 | 0.27 | 0.04 | |
| pipecolate | - | - | - | - | - | - | - | - | - | - | - | - | - | - | 0.27 | 0.36 | 0.18 | 0.34 | 0.36 | 0.22 | 0.24 | 0.08 | 0.07 | 0.15 | - | - | |
| piperine | - | 0.27 | 1.17 | 0.14 | 0.17 | 0.16 | - | 0.18 | 0.14 | 0.50 | 0.12 | 0.15 | 0.15 | 0.11 | 0.16 | 0.05 | - | - | - | 0.00 | - | - | 0.05 | 0.37 | - | - | |
| pregnanediol-3-glucuronide | - | - | - | - | - | - | - | - | - | - | - | - | - | 0.05 | - | - | 0.15 | 0.41 | 0.18 | 0.51 | 0.13 | 0.45 | 0.41 | 0.53 | 0.43 | 0.29 | |
| pregnanolone/allopregnanolone sulfate | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | 0.15 | 0.58 | 0.35 | 0.47 | 0.49 | 0.47 | 0.76 | 1.05 | 0.93 | 0.16 | |
| pregnen-diol disulfate* | 0.57 | 0.16 | - | 0.12 | - | 0.04 | 0.07 | - | - | - | - | - | - | - | - | 0.12 | 0.27 | 0.35 | - | 0.41 | - | 0.47 | 0.08 | 0.44 | 0.08 | 0.38 | |
| pregnenediol sulfate (C21H34O5S)* | 1.91 | 0.77 | 1.22 | 1.40 | 0.02 | - | 1.52 | - | 0.24 | 0.55 | 0.60 | 0.19 | 0.17 | 0.11 | - | - | - | 0.07 | - | - | - | - | - | - | - | - | |
| pregnenetriol disulfate* | 2.07 | 0.55 | - | 0.22 | - | 0.59 | 0.36 | - | - | - | - | - | - | - | - | 0.05 | 0.03 | 0.20 | - | 0.53 | - | 0.51 | 0.12 | 0.54 | 0.39 | 0.74 | |
| pregnenetriol sulfate* | 3.25 | 0.86 | 0.87 | 0.85 | - | 0.27 | 1.08 | - | - | 0.19 | 0.32 | - | - | 0.07 | - | - | - | - | - | 0.24 | 0.09 | - | - | 0.16 | 0.09 | 0.04 | |
| pregnenolone sulfate | - | - | 0.17 | - | - | - | 0.85 | - | - | 0.02 | 0.03 | - | - | 0.14 | - | - | 0.07 | 0.28 | - | 0.33 | 0.19 | 0.10 | 0.21 | 0.63 | 0.42 | - | |
| progesterone | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | 0.03 | 0.70 | 0.53 | 0.52 | 0.64 | 0.84 | 0.75 | 1.04 | 1.01 | 0.68 | |
| proline | - | - | - | - | 1.56 | 0.32 | - | - | 0.97 | - | - | - | - | - | 0.29 | 0.46 | 0.48 | 0.08 | 0.25 | 0.45 | 0.25 | 0.01 | 0.02 | 0.06 | - | - | |
| prolylglycine | 0.26 | 0.56 | 1.79 | - | - | 2.08 | - | - | 0.05 | 0.11 | 0.02 | 0.26 | - | - | - | 0.43 | 0.21 | - | - | 0.15 | 0.30 | - | - | 0.16 | - | - | |
| prolylhydroxyproline | - | 0.06 | - | - | - | - | - | - | - | - | - | - | - | 0.10 | 0.18 | 0.01 | 0.37 | 0.08 | 0.15 | 0.46 | 0.66 | 0.55 | - | 0.19 | 0.19 | - | |
| propionylcarnitine (C3) | 0.95 | 0.34 | 1.28 | 0.23 | 1.30 | 0.79 | 0.57 | 0.41 | 0.38 | - | 0.04 | - | - | - | 0.27 | 0.32 | 0.09 | - | 0.38 | 0.19 | - | - | - | - | - | - | |
| propyl 4-hydroxybenzoate sulfate | 2.37 | 0.63 | 2.29 | 1.91 | 0.70 | - | 0.51 | - | - | 0.43 | 0.10 | 0.20 | - | - | - | - | - | 0.25 | - | - | - | 0.10 | - | - | 0.07 | - | |
| pseudouridine | 1.69 | - | - | 0.07 | - | - | - | 0.45 | 0.36 | 0.01 | 0.22 | 0.00 | - | 0.26 | 0.13 | - | - | - | 0.22 | 0.15 | 0.44 | - | 0.09 | - | - | - | |
| pyridoxal | 0.34 | - | 0.04 | - | - | - | - | 0.97 | - | - | 0.08 | 0.11 | 0.23 | 0.18 | 0.38 | - | 0.03 | 0.12 | - | - | - | - | - | - | - | - | |
| pyridoxate | - | 0.42 | - | 0.38 | 0.03 | - | 0.29 | 1.32 | - | 0.20 | 0.09 | - | 0.04 | 0.01 | 0.08 | - | 0.04 | 0.05 | 0.04 | - | - | - | 0.17 | - | 0.07 | - | |
| pyroglutamine* | 0.79 | - | - | 0.22 | 0.39 | - | - | - | 0.61 | 0.81 | 0.13 | 0.06 | 0.11 | 0.03 | - | - | - | - | - | - | 0.13 | - | - | 0.22 | - | - | |
| pyrraline | - | - | 0.78 | 0.47 | 1.22 | 1.06 | 1.64 | - | - | - | - | - | - | - | 0.14 | 0.07 | 0.18 | - | 0.31 | 0.07 | 0.00 | 0.01 | 0.14 | 0.17 | 0.01 | 0.30 | |
| pyruvate | - | 1.03 | - | 1.20 | 1.10 | 0.11 | 3.06 | - | 0.30 | - | - | 0.20 | - | - | 0.25 | 0.05 | - | - | 0.22 | - | 0.06 | - | 0.17 | - | - | 0.89 | |
| quinate | - | - | - | - | 0.45 | - | - | - | 0.69 | 0.38 | 0.07 | - | - | - | 0.22 | 0.28 | 0.17 | 0.13 | - | - | 0.02 | 0.06 | 0.49 | - | - | 0.14 | |
| quinolinate | 1.01 | - | - | 0.55 | - | - | - | - | - | - | - | - | - | - | - | - | 0.15 | 0.47 | 0.50 | 0.82 | 0.15 | 0.35 | 0.51 | 0.78 | 0.42 | 0.36 | |
| retinal | - | - | - | 0.66 | 1.01 | - | - | 0.17 | 0.41 | 0.34 | 0.09 | 0.09 | 0.01 | 0.09 | - | - | - | - | 0.01 | - | - | - | - | 0.26 | 0.18 | 0.31 | |
| retinol (Vitamin A) | - | 0.79 | 0.49 | 0.35 | - | 0.56 | - | 0.48 | 0.11 | 0.59 | 0.54 | 0.33 | 0.05 | 0.08 | 0.15 | - | - | 0.07 | - | - | - | - | - | 0.23 | - | - | |
| ribitol | 2.51 | 0.13 | 1.08 | 0.36 | - | 2.38 | 1.09 | 0.14 | 0.25 | - | - | 0.07 | - | 0.10 | - | - | - | - | 0.02 | 0.04 | 0.37 | 0.40 | 0.41 | - | 0.16 | - | |
| riboflavin (Vitamin B2) | 1.27 | 0.28 | 0.57 | - | - | 0.86 | 1.01 | 0.40 | 0.71 | 0.38 | - | - | - | 0.27 | 0.20 | - | - | - | 0.16 | - | - | 0.20 | 0.19 | - | - | - | |
| ribonate (ribonolactone) | 0.54 | - | - | - | - | - | - | 0.63 | 0.18 | 0.12 | 0.20 | 0.03 | 0.32 | - | 0.15 | - | 0.20 | 0.15 | 0.14 | - | 0.02 | - | - | - | - | - | |
| ribose | 1.28 | - | 1.25 | - | - | 1.11 | - | - | 0.31 | - | - | - | 0.28 | 0.43 | - | - | - | - | - | 0.03 | - | 0.03 | 0.17 | 0.04 | 0.70 | - | |
| ribulonate/xylulonate/lyxonate* | 0.47 | 0.73 | 0.12 | - | - | 0.60 | 0.43 | 0.43 | 0.25 | 0.00 | - | 0.05 | 0.12 | - | 0.28 | - | - | 0.04 | 0.23 | - | - | 0.11 | 0.03 | 0.32 | 0.22 | - | |
| S-1-pyrroline-5-carboxylate | 0.54 | - | - | 0.06 | 0.39 | - | - | - | 0.23 | - | - | - | 0.25 | - | 0.17 | - | 0.18 | 0.16 | 0.22 | 0.13 | - | - | - | 0.13 | - | - | |
| (S)-3-hydroxybutyrylcarnitine | 0.85 | - | 1.22 | 0.00 | 0.10 | 0.37 | 1.75 | 0.48 | 0.42 | - | 0.05 | - | - | 0.19 | - | - | 0.07 | - | 0.21 | 0.00 | 0.21 | 0.18 | 0.24 | - | 0.08 | 0.41 | |
| saccharopine | 0.46 | 1.76 | - | 2.16 | 1.17 | 0.69 | 3.37 | 0.10 | 0.48 | - | - | 0.01 | - | - | - | - | - | - | 0.12 | - | 0.27 | 0.13 | 0.05 | 0.27 | 0.27 | 0.52 | |
| salicylate | - | - | - | 0.65 | - | 0.02 | - | - | 0.30 | 0.81 | 0.14 | 0.07 | - | 0.24 | 0.04 | 0.03 | - | - | - | - | - | - | - | - | - | - | |
| S-allylcysteine | 0.11 | - | - | 0.93 | 0.16 | - | - | 0.20 | 0.22 | 0.08 | 0.31 | 0.04 | 0.12 | - | 0.08 | - | - | 0.13 | - | - | - | - | 0.25 | - | - | - | |
| sarcosine | - | 1.01 | 0.95 | - | 1.27 | 0.76 | - | 0.03 | - | 0.25 | - | - | - | 0.06 | - | 0.31 | - | 0.03 | - | - | 0.11 | - | - | 0.40 | 0.21 | - | |
| S-carboxymethyl-L-cysteine | 1.17 | - | - | - | 0.25 | - | 0.83 | - | 0.50 | 0.39 | 0.32 | 0.25 | 0.17 | - | 0.35 | - | - | - | - | - | 0.05 | - | - | 0.14 | - | - | |
| sebacate (C10-DC) | 1.25 | 0.83 | 0.90 | - | 0.26 | 1.07 | 1.54 | 0.41 | 0.26 | - | 0.12 | 0.15 | - | 0.38 | - | 0.09 | 0.05 | - | 0.03 | - | 0.08 | - | 0.14 | - | 0.20 | 0.06 | |
| sedoheptulose | 1.51 | 0.26 | 1.00 | - | 0.08 | 1.19 | 1.23 | - | 0.11 | 0.09 | - | 0.10 | - | 0.35 | - | - | - | - | 0.12 | 0.03 | 0.37 | 0.10 | 0.25 | - | 0.43 | - | |
| serine | 1.10 | - | 2.62 | 0.61 | 0.98 | 2.17 | 1.46 | - | 0.44 | - | - | 0.05 | 0.02 | 0.18 | 0.11 | 0.15 | 0.03 | - | - | 0.16 | 0.03 | - | - | - | 0.16 | - | |
| serotonin | 0.43 | 0.13 | 0.39 | 0.84 | 0.40 | 0.48 | 0.02 | - | 0.14 | 0.47 | 0.19 | 0.14 | 0.04 | 0.07 | - | 0.22 | 0.14 | - | - | 0.13 | - | - | - | - | - | - | |
| S-methylcysteine | 0.39 | - | - | - | 0.85 | - | - | - | 0.31 | 0.17 | - | - | 0.12 | - | - | 0.29 | 0.15 | 0.04 | 0.10 | - | 0.24 | - | - | - | - | - | |
| S-methylcysteine sulfoxide | - | - | - | - | 2.67 | - | - | - | 0.48 | 0.28 | - | - | - | - | 0.07 | 0.19 | 0.13 | 0.12 | 0.06 | - | 0.16 | - | 0.08 | - | - | - | |
| spermidine | 1.69 | 0.46 | 1.36 | 0.84 | 1.00 | 0.67 | 2.02 | 0.51 | 0.74 | 0.22 | - | 0.07 | 0.02 | 0.28 | - | - | - | - | - | - | 0.05 | - | 0.01 | - | 0.56 | - | |
| sphingadienine | 0.77 | - | 0.60 | - | - | 0.71 | 1.54 | - | 0.10 | - | - | - | - | 0.01 | - | - | 0.08 | - | 0.07 | 0.09 | 0.69 | 0.05 | 0.62 | 0.16 | 0.46 | 0.25 | |
| sphinganine | - | - | 1.66 | - | - | 0.51 | 2.66 | - | - | - | - | - | - | 0.14 | - | - | 0.02 | - | 0.10 | 0.06 | 0.65 | 0.30 | 0.56 | 0.08 | 0.36 | - | |
| sphinganine-1-phosphate | 0.09 | - | 0.14 | 0.94 | 0.53 | 0.46 | 2.17 | - | 0.88 | 0.08 | 0.17 | 0.22 | - | - | 0.04 | 0.10 | 0.13 | - | - | - | 0.41 | - | - | - | - | 0.31 | |
| sphingomyelin (d17:1/14:0, d16:1/15:0)* | - | - | - | 0.01 | 0.73 | - | - | - | 0.01 | 0.75 | 0.47 | 0.31 | 0.12 | 0.01 | 0.34 | - | - | - | 0.01 | - | - | - | - | - | - | - | |
| sphingomyelin (d17:1/16:0, d18:1/15:0, d16:1/17:0)* | - | - | 0.17 | 0.05 | 0.13 | - | - | - | - | 0.52 | 0.35 | 0.10 | 0.05 | 0.04 | 0.50 | - | - | - | - | - | - | - | - | - | 0.16 | - | |
| sphingomyelin (d17:2/16:0, d18:2/15:0)* | - | - | - | - | - | 1.12 | - | 0.36 | 0.21 | 0.38 | 0.33 | 0.21 | 0.20 | 0.02 | 0.06 | - | - | - | - | - | - | - | - | - | 0.02 | - | |
| sphingomyelin (d18:0/18:0, d19:0/17:0)* | - | - | - | - | - | - | 0.47 | 0.18 | - | - | - | - | - | - | - | - | 0.64 | 0.33 | - | 0.38 | - | 0.47 | 0.03 | 0.32 | 0.21 | 0.38 | |
| sphingomyelin (d18:0/20:0, d16:0/22:0)* | - | 0.02 | - | 0.26 | - | - | 0.52 | - | - | 0.38 | 0.10 | 0.07 | - | - | 0.11 | - | 0.44 | 0.28 | - | 0.16 | - | 0.07 | - | 0.31 | - | - | |
| sphingomyelin (d18:1/14:0, d16:1/16:0)* | - | - | - | - | - | - | - | - | - | 0.47 | 0.37 | 0.21 | 0.10 | - | 0.49 | - | - | 0.12 | 0.10 | - | - | - | - | - | 0.06 | - | |
| sphingomyelin (d18:1/17:0, d17:1/18:0, d19:1/16:0) | - | - | 0.23 | - | - | - | - | - | - | 0.39 | 0.34 | 0.07 | 0.11 | 0.00 | 0.21 | - | 0.04 | - | - | 0.18 | - | - | - | 0.13 | 0.09 | - | |
| sphingomyelin (d18:1/18:1, d18:2/18:0) | 0.80 | - | - | - | - | 0.63 | 0.18 | - | - | - | 0.09 | 0.03 | 0.28 | 0.04 | 0.07 | - | 0.30 | 0.22 | - | 0.22 | 0.13 | 0.12 | - | - | - | - | |
| sphingomyelin (d18:1/19:0, d19:1/18:0)* | - | - | - | - | - | - | - | - | - | 0.41 | 0.40 | 0.09 | 0.20 | - | 0.07 | - | - | 0.18 | - | 0.16 | - | - | - | - | - | - | |
| sphingomyelin (d18:1/20:0, d16:1/22:0)* | - | - | - | 0.15 | - | - | - | - | - | 0.68 | 0.44 | 0.22 | 0.19 | - | 0.33 | - | - | 0.17 | - | 0.05 | - | - | - | 0.03 | - | - | |
| sphingomyelin (d18:1/20:1, d18:2/20:0)* | 0.46 | - | 0.26 | 0.67 | - | 0.37 | 0.83 | - | - | 0.27 | 0.36 | 0.15 | 0.34 | 0.16 | 0.18 | - | 0.08 | 0.15 | - | 0.09 | - | - | - | - | - | - | |
| sphingomyelin (d18:1/20:2, d18:2/20:1, d16:1/22:2)* | 0.20 | - | 0.09 | 0.35 | - | 0.70 | 1.12 | 0.08 | 0.22 | - | 0.19 | - | 0.21 | 0.11 | 0.25 | - | 0.34 | 0.13 | - | 0.22 | - | 0.01 | - | - | - | - | |
| sphingomyelin (d18:1/21:0, d17:1/22:0, d16:1/23:0)* | - | - | - | 0.44 | 0.17 | - | - | - | - | 0.82 | 0.56 | 0.29 | 0.16 | - | 0.28 | - | - | 0.11 | - | - | - | - | - | - | - | - | |
| sphingomyelin (d18:1/22:1, d18:2/22:0, d16:1/24:1)* | - | - | 0.29 | 0.39 | - | 0.47 | - | - | - | 0.66 | 0.55 | 0.22 | 0.29 | 0.02 | 0.42 | - | 0.04 | 0.04 | - | - | - | - | - | - | - | - | |
| sphingomyelin (d18:1/22:2, d18:2/22:1, d16:1/24:2)* | 0.63 | - | 0.74 | 0.69 | - | 0.23 | 0.61 | - | - | - | 0.24 | 0.13 | 0.11 | 0.04 | 0.33 | - | 0.37 | 0.12 | - | 0.28 | - | - | - | - | - | - | |
| sphingomyelin (d18:1/24:1, d18:2/24:0)* | - | - | 0.98 | - | - | 0.83 | - | - | 0.38 | 0.29 | 0.37 | - | 0.03 | - | 0.30 | - | 0.32 | 0.10 | - | 0.44 | - | - | - | - | 0.38 | - | |
| sphingomyelin (d18:1/25:0, d19:0/24:1, d20:1/23:0, d19:1/24:... | 0.06 | - | - | 1.36 | - | 0.17 | 0.73 | - | - | 0.84 | 0.52 | 0.11 | 0.18 | 0.18 | 0.29 | - | - | - | - | 0.06 | - | - | - | - | - | - | |
| sphingomyelin (d18:2/14:0, d18:1/14:1)* | 1.23 | - | - | 0.11 | - | 0.83 | - | - | - | 0.43 | 0.37 | 0.45 | 0.27 | - | 0.38 | - | - | 0.04 | - | - | - | - | - | - | - | - | |
| sphingomyelin (d18:2/16:0, d18:1/16:1)* | - | - | - | - | - | 1.18 | - | - | - | - | 0.15 | 0.07 | 0.25 | - | 0.44 | - | 0.07 | 0.04 | 0.02 | 0.18 | - | - | - | - | 0.22 | - | |
| sphingomyelin (d18:2/18:1)* | - | - | - | 0.11 | - | 0.43 | 0.39 | - | - | - | 0.24 | 0.03 | 0.23 | - | 0.14 | - | 0.22 | - | - | 0.30 | 0.01 | - | - | - | 0.06 | - | |
| sphingomyelin (d18:2/21:0, d16:2/23:0)* | - | - | 0.16 | - | - | 0.49 | 0.39 | 0.15 | - | 0.31 | 0.44 | 0.22 | 0.34 | - | - | - | - | 0.08 | - | 0.11 | - | - | - | - | - | - | |
| sphingomyelin (d18:2/23:0, d18:1/23:1, d17:1/24:1)* | - | - | 0.93 | 0.24 | - | 0.36 | - | - | - | 0.77 | 0.56 | 0.22 | 0.21 | - | 0.29 | - | - | 0.07 | - | 0.08 | - | - | - | - | - | - | |
| sphingomyelin (d18:2/23:1)* | 0.30 | - | 0.90 | - | - | 0.23 | - | 0.19 | - | 0.06 | 0.29 | 0.16 | 0.15 | - | 0.20 | - | 0.23 | 0.01 | - | 0.24 | - | - | - | - | 0.05 | - | |
| sphingomyelin (d18:2/24:1, d18:1/24:2)* | 0.21 | - | 1.69 | 0.11 | - | 0.90 | - | - | 0.09 | 0.08 | 0.32 | 0.08 | 0.14 | - | 0.41 | - | 0.37 | 0.07 | - | 0.39 | - | - | - | - | 0.02 | - | |
| sphingomyelin (d18:2/24:2)* | 1.42 | - | 1.42 | 0.94 | - | 0.54 | 1.07 | 0.03 | - | - | 0.12 | 0.10 | 0.17 | 0.05 | 0.25 | - | 0.39 | 0.09 | - | 0.29 | 0.07 | - | - | - | - | - | |
| sphingosine | - | - | 0.51 | - | - | 0.26 | 1.76 | - | - | - | - | - | - | 0.00 | 0.01 | - | 0.15 | 0.05 | 0.19 | 0.11 | 0.79 | 0.34 | 0.74 | 0.30 | 0.45 | 0.55 | |
| sphingosine 1-phosphate | 0.42 | - | - | 0.60 | - | - | 0.85 | - | 0.19 | 0.16 | 0.13 | 0.29 | 0.04 | 0.04 | 0.20 | 0.06 | 0.25 | - | - | - | 0.61 | - | - | - | - | 0.06 | |
| stachydrine | - | - | 0.54 | - | - | - | 0.22 | 0.47 | - | 0.26 | - | - | - | 0.30 | - | 0.26 | - | 0.25 | 0.05 | - | 0.04 | - | - | 0.14 | 0.17 | 0.08 | |
| stearate (18:0) | - | 0.35 | 1.67 | 1.25 | 0.42 | 0.33 | 0.09 | - | - | - | - | - | 0.08 | - | 0.25 | 0.05 | 0.13 | 0.10 | - | 0.33 | - | - | - | 0.37 | - | 0.48 | |
| stearidonate (18:4n3) | 0.60 | 0.96 | 1.67 | 1.21 | 1.24 | 0.87 | - | 0.69 | - | 0.00 | 0.06 | - | - | 0.01 | - | - | - | - | - | - | 0.12 | 0.07 | 0.02 | 0.40 | - | 0.53 | |
| stearoyl-arachidonoyl-glycerol (18:0/20:4) [1]* | 1.05 | 0.73 | 1.17 | 0.75 | 0.36 | 1.35 | 2.30 | 0.34 | - | 0.43 | 0.18 | 0.01 | 0.10 | 0.20 | - | - | - | - | - | - | - | - | 0.13 | - | 0.39 | - | |
| stearoyl-arachidonoyl-glycerol (18:0/20:4) [2]* | 0.51 | 0.78 | 1.05 | 0.35 | 0.42 | 1.02 | 1.51 | 0.54 | 0.07 | 0.30 | - | - | - | 0.24 | - | - | - | 0.07 | - | - | - | - | 0.06 | - | 0.49 | - | |
| stearoylcarnitine (C18) | 0.17 | - | 0.58 | 0.28 | 0.46 | 0.09 | 1.56 | - | - | 0.61 | 0.21 | 0.33 | 0.25 | 0.18 | 0.32 | - | - | - | - | - | - | - | - | - | - | - | |
| stearoylcholine* | - | - | 0.41 | - | - | 0.21 | - | 0.47 | - | 0.43 | 0.40 | 0.14 | 0.07 | 0.31 | - | - | - | 0.25 | - | - | - | - | - | - | - | 0.09 | |
| stearoyl sphingomyelin (d18:1/18:0) | 0.22 | - | - | - | - | - | - | - | - | - | 0.17 | 0.01 | 0.18 | 0.07 | 0.17 | - | 0.32 | 0.32 | - | 0.27 | 0.01 | 0.06 | - | 0.01 | - | - | |
| suberate (C8-DC) | 1.09 | 0.83 | 0.98 | - | 0.13 | 1.20 | 1.88 | 0.20 | 0.28 | - | 0.08 | 0.12 | - | 0.43 | - | 0.10 | 0.01 | - | 0.06 | - | 0.15 | - | 0.09 | - | 0.19 | - | |
| succinate | 1.34 | - | 0.49 | 0.87 | 0.81 | 1.29 | 1.98 | - | 0.13 | 0.48 | - | 0.17 | - | 0.21 | 0.02 | - | - | - | - | 0.01 | 0.09 | 0.02 | - | - | 0.23 | - | |
| succinimide | 1.53 | - | 1.38 | 1.29 | 0.40 | 0.05 | 1.50 | - | - | 0.47 | 0.19 | 0.15 | 0.12 | 0.14 | - | - | - | - | - | - | 0.02 | - | 0.05 | - | - | - | |
| succinylcarnitine (C4) | 2.57 | - | 0.52 | 0.76 | 1.28 | 0.03 | 2.22 | 0.51 | - | 0.10 | 0.08 | - | - | 0.15 | - | - | - | - | 0.32 | - | 0.06 | - | 0.45 | - | 0.44 | - | |
| sucrose | - | - | - | 0.82 | 0.32 | 0.92 | - | 0.48 | - | - | - | - | - | - | 0.01 | 0.23 | 0.34 | 0.31 | 0.62 | 0.14 | 0.24 | - | 0.24 | - | 0.36 | 0.16 | |
| sulfate* | - | - | 0.39 | 0.17 | - | 0.61 | - | - | 0.44 | - | 0.07 | - | - | 0.04 | 0.71 | - | 0.21 | 0.62 | 0.04 | 0.07 | - | - | - | 0.27 | - | - | |
| sulfate of piperine metabolite C16H19NO3 (2)* | - | 0.19 | 0.86 | 0.70 | - | 0.14 | - | 0.21 | 0.20 | 0.29 | 0.04 | 0.12 | 0.03 | 0.22 | - | 0.02 | - | - | - | - | - | - | 0.10 | 0.77 | - | - | |
| sulfate of piperine metabolite C16H19NO3 (3)* | - | 0.23 | 0.97 | 0.72 | - | - | - | - | - | 0.42 | 0.00 | 0.21 | - | 0.19 | - | 0.02 | - | - | - | - | 0.11 | - | 0.12 | 0.75 | 0.04 | - | |
| tartarate | - | - | - | - | 1.46 | - | 0.04 | 0.39 | - | 0.15 | 0.11 | - | 0.28 | 0.25 | - | 0.00 | 0.27 | 0.06 | 0.39 | - | - | - | - | - | - | - | |
| tartronate (hydroxymalonate) | 1.02 | - | 0.13 | 0.55 | - | - | - | 0.59 | - | 0.43 | 0.34 | 0.06 | 0.25 | 0.18 | - | - | 0.05 | 0.35 | - | - | - | - | - | - | - | - | |
| taurine | 0.91 | 0.14 | 1.50 | 0.51 | 1.15 | 1.50 | 0.75 | - | 0.68 | 0.14 | 0.16 | 0.16 | - | 0.16 | 0.11 | 0.12 | 0.13 | - | - | - | 0.10 | - | - | - | - | 0.04 | |
| tauro-beta-muricholate | - | - | 0.59 | - | 0.89 | 0.05 | - | 0.01 | 0.11 | - | - | - | - | - | - | 0.17 | 0.30 | 0.27 | 0.38 | 0.47 | - | 0.58 | 0.35 | 0.12 | 0.82 | - | |
| taurochenodeoxycholate | 0.13 | 0.28 | 0.05 | - | 0.55 | - | - | 0.15 | - | - | - | - | - | 0.03 | - | 0.10 | 0.36 | 0.25 | 0.18 | 0.17 | 0.43 | 0.39 | 0.12 | 0.21 | 0.00 | 0.58 | |
| taurochenodeoxycholic acid 3-sulfate | 1.04 | 1.02 | - | - | - | 0.21 | 0.18 | 0.45 | - | - | - | - | - | - | - | 0.19 | 0.29 | 0.14 | 0.26 | 0.29 | 0.22 | 0.79 | 0.15 | 0.74 | 0.35 | 0.24 | |
| taurocholate | - | 0.28 | - | - | - | - | - | - | - | - | - | - | - | 0.02 | - | 0.32 | 0.30 | 0.32 | 0.26 | 0.26 | 0.27 | 0.74 | 0.32 | 0.45 | 0.20 | 0.69 | |
| taurocholenate sulfate* | 0.55 | 0.65 | - | - | 0.27 | 0.21 | 1.13 | - | 0.28 | - | - | - | - | 0.10 | - | - | 0.03 | 0.35 | - | 0.38 | 0.15 | 0.17 | - | 0.81 | 0.36 | - | |
| taurodeoxycholate | - | - | - | - | 0.59 | 0.07 | - | - | - | 0.22 | - | 0.01 | - | 0.12 | - | 0.04 | 0.09 | 0.41 | - | 0.34 | - | 0.42 | 0.33 | 0.00 | 0.45 | 0.34 | |
| taurodeoxycholic acid 3-sulfate | - | - | - | - | 0.24 | - | - | - | - | - | - | - | - | 0.04 | - | 0.10 | 0.12 | 0.37 | 0.25 | 0.50 | - | 0.66 | 0.56 | 0.64 | 0.61 | - | |
| taurolithocholate 3-sulfate | - | 0.56 | 0.40 | - | 1.02 | 0.25 | 0.06 | - | 0.55 | - | - | - | - | - | - | 0.11 | 0.21 | 0.30 | 0.05 | 0.27 | 0.05 | - | 0.23 | 0.52 | 0.21 | - | |
| tetradecadienoate (14:2)* | 0.90 | 1.15 | 1.69 | 1.30 | - | 1.68 | 1.09 | 0.55 | 0.03 | - | - | - | - | - | - | 0.05 | 0.11 | 0.09 | - | 0.07 | 0.19 | 0.44 | 0.10 | 0.43 | 0.05 | 0.04 | |
| tetradecanedioate (C14) | 1.27 | 0.43 | 2.14 | 0.40 | 1.01 | 0.66 | 1.41 | 0.89 | 0.23 | - | - | - | - | 0.14 | - | 0.01 | 0.27 | 0.01 | 0.04 | 0.06 | 0.18 | - | 0.00 | - | 0.13 | 0.69 | |
| theobromine | - | 0.62 | - | 0.19 | 0.44 | - | - | 0.27 | 0.14 | 0.11 | - | 0.08 | 0.20 | 0.09 | 0.27 | - | - | - | 0.20 | - | 0.01 | 0.12 | 0.11 | - | 0.26 | - | |
| theophylline | - | 0.12 | - | - | - | - | - | 0.32 | 0.20 | - | - | 0.03 | 0.09 | - | 0.12 | 0.11 | - | 0.00 | 0.01 | 0.18 | 0.25 | 0.21 | 0.46 | - | 0.15 | - | |
| thioproline | 1.39 | - | - | 0.30 | - | - | - | - | 0.25 | 0.68 | 0.40 | 0.11 | 0.27 | 0.19 | 0.48 | - | 0.12 | - | - | - | - | - | - | - | - | - | |
| threonate | 0.03 | - | - | - | - | - | - | - | - | 0.32 | 0.20 | 0.07 | 0.18 | 0.02 | 0.22 | 0.17 | 0.36 | 0.39 | 0.05 | - | - | - | - | - | - | - | |
| threonine | - | - | - | 0.59 | 0.41 | - | - | - | 0.43 | - | - | 0.02 | - | - | 0.33 | 0.17 | 0.21 | 0.09 | 0.02 | 0.29 | 0.40 | 0.14 | - | - | 0.20 | - | |
| threonylphenylalanine | - | - | - | - | - | - | - | 0.64 | - | 0.25 | 0.52 | - | 0.26 | - | 0.14 | - | 0.31 | 0.43 | - | - | - | - | - | 0.33 | - | - | |
| thymol sulfate | 1.18 | - | - | 1.10 | - | 0.20 | 0.69 | 0.65 | - | 0.30 | 0.13 | 0.01 | 0.27 | - | - | 0.15 | - | 0.29 | - | - | - | 0.05 | - | - | - | 0.03 | |
| thyroxine | 1.07 | - | 1.12 | 1.19 | - | 1.16 | 1.56 | 0.52 | 0.18 | 0.25 | 0.32 | 0.32 | 0.32 | 0.33 | 0.04 | - | - | - | - | - | - | - | - | - | - | - | |
| tigloylglycine | - | - | 0.11 | 0.86 | - | 0.65 | - | 0.30 | 0.47 | - | - | - | - | - | 0.07 | 0.42 | 0.03 | 0.28 | 0.51 | 0.07 | 0.20 | 0.41 | 0.07 | 0.53 | 0.11 | 0.94 | |
| tiglyl carnitine (C5) | 0.72 | 0.58 | 0.70 | 0.09 | 0.55 | 0.29 | 0.81 | 0.46 | - | - | 0.21 | 0.21 | 0.11 | - | 0.03 | - | 0.08 | - | 0.31 | - | - | - | 0.00 | - | - | - | |
| trans-urocanate | 1.47 | - | 0.37 | 1.26 | 0.20 | 1.20 | 0.24 | - | - | 0.24 | 0.28 | 0.01 | - | 0.13 | - | - | - | 0.32 | - | - | - | 0.10 | 0.07 | - | - | 0.10 | |
| tricosanoyl sphingomyelin (d18:1/23:0)* | - | 0.13 | 0.24 | 0.37 | - | 0.08 | - | - | - | 0.88 | 0.49 | 0.02 | 0.16 | - | 0.29 | - | - | 0.00 | - | 0.20 | - | - | - | - | 0.07 | - | |
| tridecenedioate (C13:1-DC)* | 1.29 | 1.27 | 1.44 | 0.75 | 0.72 | - | 0.27 | 0.49 | 0.48 | - | 0.07 | - | 0.26 | - | - | - | - | - | 0.10 | 0.07 | - | 0.26 | 0.09 | 0.14 | 0.26 | 0.25 | |
| trigonelline (N^-methylnicotinate) | - | - | - | - | 0.75 | - | - | - | 0.38 | 0.03 | 0.25 | - | 0.06 | - | 0.11 | 0.26 | 0.02 | 0.17 | 0.26 | - | 0.31 | - | 0.27 | - | - | - | |
| trimethylamine N-oxide | - | - | 0.37 | 0.32 | 2.10 | 0.28 | - | - | 0.01 | 0.30 | - | 0.02 | - | - | - | 0.23 | - | 0.14 | - | 0.01 | 0.04 | - | 0.19 | 0.43 | 0.06 | 0.05 | |
| tryptophan | 1.78 | - | 0.73 | 0.61 | 1.32 | 0.74 | - | - | 0.39 | 0.22 | 0.20 | 0.07 | 0.03 | - | 0.19 | 0.36 | 0.22 | 0.21 | 0.02 | - | - | - | - | 0.15 | - | - | |
| tryptophan betaine | - | - | - | - | 1.25 | 0.44 | - | - | 0.47 | 0.52 | 0.22 | 0.07 | 0.22 | 0.12 | 0.19 | - | - | 0.01 | - | - | - | - | - | 0.28 | - | 0.05 | |
| tyramine O-sulfate | 2.01 | - | 2.27 | 0.29 | 0.79 | - | 0.55 | 0.10 | 0.08 | - | - | 0.11 | 0.02 | 0.07 | 0.27 | 0.16 | 0.25 | - | - | - | - | 0.52 | - | - | - | 0.68 | |
| tyrosine | 1.80 | 0.32 | 0.93 | - | 1.28 | 1.30 | 0.17 | - | - | - | - | - | - | - | 0.20 | 0.54 | 0.37 | 0.09 | 0.41 | 0.23 | 0.22 | 0.16 | - | 0.00 | 0.08 | - | |
| undecanedioate (C11-DC) | 1.06 | 0.76 | 0.92 | - | 0.22 | 1.21 | 1.60 | 0.26 | 0.24 | - | 0.13 | 0.18 | - | 0.38 | - | 0.12 | 0.01 | - | - | - | 0.11 | - | 0.09 | - | 0.20 | 0.06 | |
| undecanoate (11:0) | 3.02 | 0.89 | 1.03 | 0.42 | 0.49 | 1.35 | 1.86 | 1.29 | 0.42 | - | 0.09 | 0.14 | - | 0.47 | - | - | - | - | - | - | - | - | 0.00 | - | - | - | |
| uracil | 1.09 | 0.80 | 0.98 | 1.85 | 1.71 | 0.82 | 3.25 | - | 0.13 | 0.16 | - | 0.24 | - | 0.24 | - | - | - | - | 0.14 | - | - | - | 0.08 | - | 0.16 | - | |
| urate | 0.38 | - | - | 0.35 | - | - | - | - | 0.22 | - | - | - | - | - | - | - | - | 0.47 | 0.22 | 0.27 | - | 0.55 | - | 0.92 | - | 0.00 | |
| urea | - | - | 1.78 | 0.78 | 0.69 | - | - | 0.87 | - | 0.22 | 0.23 | 0.02 | - | - | 0.33 | - | - | 0.19 | 0.20 | - | - | - | 0.07 | 0.16 | 0.12 | - | |
| uridine | 0.99 | - | 2.15 | 0.29 | - | 1.05 | - | - | - | 0.51 | 0.41 | 0.38 | 0.07 | 0.15 | 0.12 | - | - | - | - | - | - | - | - | - | - | - | |
| ursodeoxycholate | 1.49 | - | - | 1.56 | 0.55 | 0.81 | - | 0.47 | - | 0.00 | 0.44 | 0.14 | 0.44 | 0.16 | - | - | - | - | - | - | - | 0.18 | - | - | - | 0.13 | |
| valerate (5:0) | 2.65 | 0.86 | 0.78 | 0.62 | - | 0.32 | 0.82 | 1.30 | 0.48 | 0.23 | - | - | 0.19 | 0.35 | 0.00 | - | - | - | - | - | - | 0.17 | - | - | - | - | |
| valine | 0.68 | - | 0.40 | 0.22 | 0.99 | - | - | - | 0.20 | - | - | - | 0.05 | - | 0.25 | 0.30 | 0.22 | 0.11 | 0.23 | 0.19 | - | - | - | 0.24 | 0.07 | - | |
| valylglycine | - | 0.66 | 1.00 | - | 0.27 | - | - | - | - | 0.10 | 0.27 | 0.06 | - | - | - | 0.13 | 0.12 | 0.05 | 0.05 | 0.03 | - | - | - | 0.27 | - | 0.03 | |
| vanillylmandelate (VMA) | 0.00 | - | - | 1.68 | 0.88 | 0.26 | - | 0.50 | 0.27 | 0.33 | 0.44 | - | - | - | - | - | - | - | - | 0.16 | - | 0.34 | - | 0.09 | - | - | |
| xanthine | 1.54 | - | 1.84 | 0.90 | 0.18 | 0.59 | 2.64 | - | - | 0.17 | - | 0.15 | - | 0.27 | - | - | - | - | - | - | 0.03 | - | - | - | 0.72 | - | |
| xanthosine | 1.51 | 0.45 | 0.97 | 0.98 | 0.34 | 1.86 | 1.92 | 0.10 | - | - | - | 0.19 | - | 0.18 | - | 0.21 | - | - | - | - | 0.28 | 0.14 | 0.30 | - | 0.39 | - | |
| ximenoylcarnitine (C26:1)* | - | - | 0.38 | - | - | - | - | 0.92 | - | 0.25 | 0.20 | 0.03 | 0.16 | - | 0.08 | 0.16 | 0.15 | - | - | 0.17 | - | - | - | 0.02 | - | - | |
| xylose | - | 0.21 | - | - | 1.29 | 0.03 | 0.22 | 0.26 | 0.00 | - | - | - | 0.05 | - | 0.24 | 0.10 | - | 0.06 | 0.17 | 0.19 | - | 0.12 | 0.07 | - | - | 0.83 |
Factors:
| F1 | gestage_serum:11 |
| F2 | gestage_serum:14 |
| F3 | gestage_serum:16 |
| F4 | gestage_serum:18 |
| F5 | gestage_serum:19 |
| F6 | gestage_serum:20 |
| F7 | gestage_serum:21 |
| F8 | gestage_serum:22 |
| F9 | gestage_serum:23 |
| F10 | gestage_serum:24 |
| F11 | gestage_serum:25 |
| F12 | gestage_serum:26 |
| F13 | gestage_serum:27 |
| F14 | gestage_serum:28 |
| F15 | gestage_serum:29 |
| F16 | gestage_serum:30 |
| F17 | gestage_serum:31 |
| F18 | gestage_serum:32 |
| F19 | gestage_serum:33 |
| F20 | gestage_serum:34 |
| F21 | gestage_serum:35 |
| F22 | gestage_serum:36 |
| F23 | gestage_serum:37 |
| F24 | gestage_serum:38 |
| F25 | gestage_serum:39 |
| F26 | gestage_serum:40 |