Clustering data with hclust algorithm for (Study ST002284)
(Analysis AN003732)| Metabolite | Structure | F1 | F2 | F3 | F4 | F5 | F6 | F7 | F8 | F9 | F10 | F11 | F12 | F13 | F14 | F15 | F16 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Cer(d18:1/26:0)_1 | ME548221 | 0.07 | NA | 0.17 | 1.10 | 0.06 | 0.19 | 0.23 | 4.23 | 0.12 | 0.12 | 0.09 | 0.85 | 0.06 | 0.11 | 1.89 | 0.60 |
| DHCer (d18:0/24:0) | ME548260 | NA | 0.12 | 0.01 | 0.80 | NA | 0.18 | 0.04 | 7.45 | 0.05 | 0.15 | 0.04 | 1.31 | 0.01 | 0.06 | 0.46 | 0.36 |
| L-Kynurenine | ME548276 | NA | 0.09 | NA | 0.42 | NA | 0.08 | NA | 6.50 | NA | 0.15 | NA | 0.33 | NA | 0.11 | NA | 0.32 |
| PC(O-C40:1) | ME548378 | NA | 0.07 | NA | 0.21 | NA | 0.22 | 0.02 | 6.92 | 0.01 | 0.19 | NA | 0.49 | NA | 0.12 | 0.01 | 0.19 |
| DHCer (d18:0/22:0) | ME548258 | 0.01 | 0.17 | 0.02 | 1.48 | 0.01 | 0.27 | 0.04 | 6.94 | 0.03 | 0.24 | 0.01 | 2.71 | NA | 0.12 | 0.16 | 0.70 |
| Cer(d18:1/24:0) | ME548217 | 0.00 | 0.16 | 0.00 | 0.99 | 0.00 | 0.36 | 0.01 | 6.13 | 0.00 | 0.27 | 0.00 | 2.37 | NA | 0.16 | 0.03 | 0.73 |
| DHCer (d18:0/24:1) | ME548261 | 0.00 | 0.16 | 0.00 | 0.99 | 0.00 | 0.36 | 0.01 | 6.13 | 0.00 | 0.27 | 0.00 | 2.37 | NA | 0.16 | 0.03 | 0.73 |
| LPC(C22:0) | ME548297 | NA | 0.04 | 0.10 | 1.17 | NA | 0.09 | 0.13 | 5.31 | 0.07 | 0.05 | 0.08 | 0.98 | NA | 0.06 | 0.11 | 1.80 |
| O-LPC(C20:4) | ME548312 | 0.03 | 0.26 | 0.09 | 1.45 | NA | 0.76 | 0.20 | 5.00 | 0.07 | 0.91 | 0.06 | 1.23 | NA | 0.37 | 0.02 | 1.05 |
| Gal/GlcCer(d18:1/24:0) | ME548266 | NA | 0.31 | 0.01 | 1.78 | 0.01 | 0.66 | 0.02 | 4.23 | 0.03 | 0.37 | 0.01 | 1.51 | NA | 0.29 | NA | 1.42 |
| Deoxy-Cer (m18:1/22:0) | ME548236 | NA | 0.07 | NA | 1.46 | NA | 0.15 | 0.01 | 4.52 | NA | 0.10 | NA | 1.46 | NA | 0.04 | 0.01 | 1.19 |
| Deoxy-DHCer (m18:0/22:1) | ME548245 | NA | 0.07 | NA | 1.46 | NA | 0.15 | 0.01 | 4.52 | NA | 0.10 | NA | 1.46 | NA | 0.04 | 0.01 | 1.19 |
| PC(O-C40:2) | ME548379 | NA | 0.18 | NA | 0.50 | NA | 0.45 | NA | 4.43 | NA | 0.46 | NA | 1.25 | NA | 0.25 | NA | 0.48 |
| PC(C40:0) | ME548340 | NA | 0.06 | NA | 0.99 | NA | 0.13 | NA | 5.12 | NA | 0.08 | NA | 0.85 | NA | 0.05 | NA | 0.53 |
| O-LPC(C20:4)_1 | ME548313 | NA | 0.11 | NA | 0.88 | 0.02 | 0.19 | 0.04 | 4.80 | NA | 0.10 | 0.04 | 1.23 | NA | 0.04 | NA | 0.52 |
| PC(O-C38:0)_1 | ME548369 | NA | 0.08 | NA | 0.59 | NA | 0.15 | NA | 4.69 | 0.07 | 0.13 | NA | 1.01 | NA | 0.13 | 0.05 | 0.35 |
| TG(C56:1) M+Na_1 | ME548436 | NA | 0.10 | NA | 0.77 | 0.03 | 0.23 | NA | 4.66 | 0.06 | 0.15 | NA | 1.29 | NA | 0.09 | NA | 0.19 |
| PC(O-C40:2)_1 | ME548380 | NA | 0.19 | NA | 0.63 | NA | 0.42 | 0.03 | 5.05 | 0.01 | 0.45 | NA | 1.55 | NA | 0.21 | NA | 0.48 |
| Deoxy-Cer (m18:1/24:1) | ME548239 | NA | 0.17 | NA | 1.05 | NA | 0.35 | 0.01 | 5.00 | NA | 0.25 | NA | 1.31 | NA | 0.11 | 0.00 | 0.95 |
| O-LPC(C20:5) | ME548314 | NA | 0.11 | 0.02 | 1.16 | NA | 0.17 | 0.04 | 5.00 | 0.04 | 0.19 | 0.04 | 1.52 | NA | 0.09 | NA | 0.39 |
| PC(C40:1) | ME548341 | NA | 0.13 | NA | 1.14 | NA | 0.31 | 0.00 | 4.77 | 0.00 | 0.27 | NA | 1.49 | NA | 0.12 | NA | 0.55 |
| Cer(d18:1/26:0) | ME548220 | NA | NA | NA | 0.38 | 0.04 | 0.18 | 0.07 | 4.51 | NA | 0.13 | NA | 1.04 | NA | 0.11 | 0.73 | 0.19 |
| Deoxy-DHCer (m18:0/24:0) | ME548246 | NA | 0.04 | 0.02 | 0.79 | NA | 0.25 | NA | 4.14 | NA | 0.06 | NA | 0.68 | NA | 0.09 | NA | 0.46 |
| L-Kynurenine_1 | ME548277 | NA | 0.21 | NA | 0.47 | NA | 0.21 | NA | 5.56 | NA | 0.22 | NA | 0.50 | NA | 0.25 | NA | 0.60 |
| TG(C58:2) M+Na_1 | ME548452 | 0.03 | 0.14 | 0.05 | 0.81 | NA | 0.55 | NA | 6.09 | 0.03 | 0.33 | NA | 1.43 | 0.03 | 0.09 | 0.03 | 0.30 |
| Deoxy-Cer (m18:1/24:0) | ME548238 | NA | 0.18 | 0.01 | 1.10 | NA | 0.57 | 0.02 | 5.86 | 0.01 | 0.28 | 0.00 | 1.18 | NA | 0.12 | 0.01 | 0.88 |
| Deoxy-DHCer (m18:0/24:1) | ME548247 | NA | 0.18 | 0.01 | 1.10 | NA | 0.57 | 0.02 | 5.86 | 0.01 | 0.28 | 0.00 | 1.18 | NA | 0.12 | 0.01 | 0.88 |
| Cer(d18:1/20:0) | ME548212 | 0.00 | 0.56 | 0.01 | 3.53 | 0.00 | 0.47 | 0.01 | 2.95 | 0.01 | 0.63 | 0.01 | 3.47 | NA | 0.24 | 0.04 | 1.09 |
| PC(C38:1) | ME548333 | 0.00 | 0.50 | 0.00 | 3.08 | NA | 0.77 | 0.00 | 3.45 | 0.00 | 0.85 | 0.00 | 3.56 | NA | 0.42 | 0.00 | 1.14 |
| PC(O-C38:3) | ME548373 | 0.00 | 0.59 | 0.00 | 1.58 | 0.00 | 0.94 | 0.00 | 3.18 | 0.01 | 1.18 | NA | 3.23 | 0.00 | 0.55 | 0.00 | 1.13 |
| PC(O-C36:3) | ME548365 | 0.00 | 0.66 | 0.00 | 2.22 | 0.00 | 1.54 | 0.01 | 3.29 | 0.00 | 1.38 | 0.00 | 3.10 | 0.00 | 0.85 | 0.00 | 1.74 |
| PC(O-C38:4) | ME548374 | 0.00 | 1.04 | 0.01 | 1.69 | 0.00 | 1.39 | 0.01 | 3.29 | 0.04 | 1.34 | 0.00 | 3.17 | 0.00 | 0.97 | 0.00 | 1.68 |
| Cer(d18:1/22:1) | ME548216 | NA | 0.68 | 0.01 | 2.09 | NA | 0.89 | 0.01 | 2.91 | 0.01 | 0.71 | 0.00 | 2.53 | NA | 0.30 | 0.13 | 0.66 |
| PC(C40:3) | ME548343 | NA | 0.72 | 0.00 | 2.46 | 0.00 | 0.78 | 0.00 | 3.36 | 0.00 | 0.90 | 0.00 | 2.51 | 0.00 | 0.54 | 0.00 | 1.13 |
| DG(C36:1)[-H2O] M+H | ME548251 | 0.00 | 0.72 | 0.03 | 2.65 | 0.01 | 1.23 | 0.05 | 2.83 | 0.01 | 0.68 | 0.02 | 2.56 | NA | 0.86 | 0.02 | 1.56 |
| DG(C36:1)[-H2O] M+H_1 | ME548252 | 0.02 | 0.63 | 0.01 | 2.94 | 0.01 | 1.12 | 0.02 | 2.45 | 0.02 | 0.71 | 0.01 | 3.02 | 0.01 | 0.81 | 0.01 | 2.04 |
| DHCer (d18:0/18:0) | ME548255 | NA | 0.16 | 0.00 | 1.60 | NA | 0.20 | 0.00 | 4.69 | 0.00 | 0.21 | 0.00 | 2.85 | NA | 0.14 | 0.05 | 1.73 |
| DHCer (d18:0/20:0) | ME548257 | NA | 0.20 | 0.01 | 1.31 | 0.00 | 0.20 | 0.04 | 4.68 | 0.01 | 0.27 | 0.01 | 2.35 | 0.01 | 0.15 | 0.43 | 0.91 |
| TG(C58:11) M+Na | ME548450 | 0.04 | 0.10 | NA | 2.24 | NA | 0.15 | NA | 2.45 | NA | 0.06 | NA | 1.86 | NA | 0.06 | NA | 0.16 |
| DG(C32:0 )[-H2O] M+H | ME548248 | NA | 0.11 | 0.03 | 1.70 | 0.03 | 0.32 | NA | 3.22 | 0.15 | 0.18 | 0.03 | 2.75 | NA | 0.08 | 0.03 | 0.42 |
| TG(C48:0) M+Na | ME548399 | NA | 0.13 | 0.01 | 1.85 | 0.01 | 0.38 | 0.00 | 3.43 | 0.03 | 0.18 | NA | 2.50 | 0.01 | 0.08 | 0.01 | 0.44 |
| TG(C52:0) M+Na_1 | ME548414 | 0.03 | 0.09 | 0.03 | 2.13 | NA | 0.20 | NA | 3.42 | 0.08 | 0.18 | 0.03 | 2.56 | 0.02 | 0.09 | NA | 0.34 |
| PC(C38:0) | ME548332 | NA | 0.12 | NA | 1.92 | NA | 0.16 | NA | 3.55 | 0.06 | 0.10 | 0.01 | 2.02 | NA | 0.04 | NA | 0.67 |
| TG(C56:9) M+Na | ME548448 | NA | 0.16 | NA | 2.21 | 0.02 | 0.30 | 0.02 | 3.50 | 0.00 | 0.07 | NA | 2.24 | 0.01 | 0.05 | 0.01 | 0.28 |
| TG(C58:10) M+Na | ME548449 | NA | 0.16 | NA | 2.08 | NA | 0.21 | NA | 3.48 | NA | 0.09 | 0.01 | 1.92 | 0.01 | 0.05 | NA | 0.25 |
| TG(C54:0) M+Na | ME548422 | 0.02 | 0.11 | NA | 1.41 | NA | 0.30 | NA | 3.40 | NA | 0.31 | NA | 1.93 | NA | 0.06 | 0.04 | 0.29 |
| TG(C58:7) M+Na_2 | ME548462 | NA | 0.25 | 0.00 | 1.60 | NA | 0.33 | NA | 3.54 | NA | 0.19 | NA | 1.92 | NA | 0.09 | NA | 0.29 |
| TG(C58:7) M+Na_1 | ME548461 | NA | 0.53 | 0.01 | 1.63 | 0.00 | 0.68 | 0.00 | 3.14 | NA | 0.41 | 0.00 | 2.22 | NA | 0.08 | NA | 0.31 |
| DG(C36:1)[-H2O] M+H_2 | ME548253 | NA | 0.19 | 0.03 | 1.64 | NA | 0.44 | NA | 3.06 | 0.03 | 0.32 | NA | 2.14 | NA | 0.11 | NA | 0.48 |
| TG(C58:4) M+Na | ME548455 | NA | 0.38 | NA | 1.27 | NA | 0.53 | NA | 3.10 | NA | 0.37 | NA | 1.87 | NA | 0.15 | NA | 0.33 |
| TG(C58:5) M+Na | ME548457 | NA | 0.34 | 0.02 | 1.51 | NA | 0.55 | 0.02 | 3.23 | NA | 0.31 | 0.02 | 2.04 | NA | 0.11 | NA | 0.33 |
| CoenzymeQ10-NH4+ | ME548227 | NA | 0.21 | 0.01 | 2.02 | NA | 0.37 | 0.06 | 2.83 | NA | 0.24 | NA | 1.97 | NA | 0.15 | NA | 0.80 |
| DG(C34:0)[-H2O] M+H | ME548249 | NA | 0.09 | NA | 1.63 | NA | 0.22 | NA | 2.63 | NA | 0.17 | 0.04 | 2.15 | NA | 0.09 | NA | 0.30 |
| TG(C54:8) M+Na | ME548434 | NA | 0.07 | NA | 1.90 | 0.01 | 0.18 | NA | 3.07 | 0.02 | 0.03 | NA | 2.29 | NA | 0.04 | 0.01 | 0.25 |
| TG(C58:9) M+Na | ME548464 | NA | 0.23 | 0.01 | 1.92 | NA | 0.34 | NA | 2.94 | NA | 0.14 | NA | 2.11 | NA | 0.06 | NA | 0.27 |
| Deoxy-DHCer (m18:0/22:0) | ME548244 | NA | 0.16 | NA | 1.20 | NA | 0.52 | NA | 3.51 | NA | 0.22 | NA | 1.27 | NA | 0.18 | NA | 0.63 |
| TG(C56:2) M+Na_1 | ME548438 | NA | 0.29 | 0.01 | 1.23 | 0.00 | 0.55 | 0.01 | 4.02 | 0.05 | 0.51 | NA | 2.17 | NA | 0.09 | NA | 0.32 |
| TG(C58:4) M+Na_1 | ME548456 | NA | 0.37 | NA | 1.27 | 0.00 | 0.69 | 0.00 | 4.13 | NA | 0.54 | 0.01 | 2.25 | NA | 0.15 | NA | 0.40 |
| TG(C56:1) M+Na | ME548435 | NA | 0.21 | NA | 1.19 | NA | 0.47 | NA | 3.61 | NA | 0.43 | 0.04 | 1.99 | 0.04 | 0.10 | NA | 0.23 |
| TG(C58:3) M+Na | ME548453 | NA | 0.32 | NA | 1.10 | NA | 0.61 | NA | 3.72 | NA | 0.46 | NA | 1.89 | 0.02 | 0.18 | 0.04 | 0.34 |
| TG(C58:2) M+Na | ME548451 | NA | 0.32 | 0.07 | 0.95 | 0.02 | 0.73 | 0.06 | 3.88 | NA | 0.53 | 0.03 | 1.84 | NA | 0.19 | NA | 0.21 |
| TG(C58:3) M+Na_1 | ME548454 | NA | 0.37 | 0.01 | 0.98 | NA | 0.71 | NA | 4.04 | 0.01 | 0.70 | 0.01 | 1.94 | 0.01 | 0.17 | 0.01 | 0.30 |
| PC(O-C38:1) | ME548370 | 0.01 | 0.25 | 0.01 | 0.85 | NA | 0.60 | 0.00 | 3.77 | 0.00 | 0.69 | NA | 2.69 | 0.01 | 0.32 | 0.00 | 0.62 |
| TG(C56:2) M+Na | ME548437 | 0.01 | 0.47 | 0.03 | 1.33 | 0.01 | 0.78 | NA | 3.36 | 0.02 | 0.70 | 0.02 | 2.49 | NA | 0.13 | 0.01 | 0.31 |
| Deoxy-Cer (m18:1/22:1) | ME548237 | 0.00 | 0.27 | 0.01 | 2.80 | 0.00 | 0.44 | 0.01 | 3.82 | 0.01 | 0.37 | 0.00 | 2.85 | NA | 0.15 | 0.04 | 0.87 |
| Cer(d18:1/22:0) | ME548215 | 0.00 | 0.31 | 0.02 | 3.02 | 0.00 | 0.49 | 0.02 | 4.02 | 0.01 | 0.39 | 0.01 | 3.11 | NA | 0.18 | 0.03 | 1.00 |
| DHCer (d18:0/22:1) | ME548259 | 0.00 | 0.31 | 0.02 | 3.02 | 0.00 | 0.49 | 0.02 | 4.02 | 0.01 | 0.39 | 0.01 | 3.11 | NA | 0.18 | 0.03 | 1.00 |
| DG(C34:1)[-H2O] M+H | ME548250 | 0.01 | 0.37 | 0.02 | 2.51 | 0.01 | 0.69 | 0.01 | 4.45 | 0.12 | 0.50 | 0.01 | 3.82 | 0.01 | 0.15 | 0.01 | 0.58 |
| TG(C50:4) M+Na | ME548412 | NA | 0.07 | 0.01 | 2.78 | 0.00 | 0.21 | 0.00 | 4.31 | NA | 0.05 | 0.00 | 3.55 | 0.00 | 0.04 | 0.00 | 0.38 |
| TG(C52:5) M+Na | ME548421 | 0.00 | 0.15 | 0.01 | 2.69 | 0.00 | 0.32 | 0.00 | 4.57 | 0.00 | 0.10 | 0.00 | 3.28 | 0.00 | 0.05 | 0.00 | 0.41 |
| TG(C56:3) M+Na_1 | ME548440 | 0.00 | 0.63 | 0.01 | 1.84 | 0.00 | 1.01 | 0.00 | 4.53 | 0.02 | 0.94 | 0.01 | 3.39 | 0.00 | 0.18 | 0.01 | 0.44 |
| TG(C56:7) M+Na | ME548446 | 0.00 | 0.30 | 0.01 | 2.28 | 0.00 | 0.38 | 0.01 | 5.04 | 0.00 | 0.27 | 0.00 | 2.64 | NA | 0.09 | NA | 0.38 |
| TG(C52:0) M+Na | ME548413 | NA | 0.19 | 0.01 | 2.21 | NA | 0.36 | 0.01 | 4.02 | 0.08 | 0.28 | 0.01 | 3.05 | NA | 0.07 | 0.01 | 0.39 |
| TG(C56:4) M+Na | ME548441 | 0.00 | 0.39 | 0.02 | 2.17 | NA | 0.65 | 0.01 | 4.04 | 0.02 | 0.37 | 0.03 | 2.94 | NA | 0.16 | 0.03 | 0.42 |
| TG(C56:5) M+Na_1 | ME548444 | NA | 0.38 | 0.00 | 2.23 | 0.00 | 0.66 | 0.00 | 4.27 | 0.00 | 0.33 | 0.00 | 3.12 | 0.00 | 0.15 | 0.00 | 0.45 |
| TG(C56:6) M+Na | ME548445 | 0.00 | 0.37 | 0.01 | 2.41 | 0.00 | 0.61 | 0.00 | 4.53 | 0.00 | 0.28 | 0.00 | 3.06 | NA | 0.11 | 0.00 | 0.43 |
| TG(C54:1) M+Na | ME548423 | NA | 0.28 | 0.02 | 1.99 | NA | 0.47 | 0.01 | 4.59 | 0.09 | 0.45 | 0.01 | 2.87 | 0.01 | 0.09 | 0.01 | 0.40 |
| TG(C56:3) M+Na | ME548439 | 0.01 | 0.35 | 0.04 | 2.01 | 0.01 | 0.60 | 0.02 | 4.66 | 0.12 | 0.39 | 0.04 | 3.26 | NA | 0.14 | 0.04 | 0.46 |
| TG(C56:4) M+Na_1 | ME548442 | 0.00 | 0.36 | 0.00 | 1.93 | NA | 0.59 | 0.00 | 4.55 | 0.00 | 0.40 | 0.01 | 3.15 | NA | 0.14 | 0.00 | 0.47 |
| DG(C36:2)[-H2O] M+H | ME548254 | 0.01 | 0.36 | 0.02 | 2.03 | 0.01 | 0.72 | 0.02 | 3.55 | 0.15 | 0.50 | 0.01 | 2.99 | NA | 0.17 | NA | 0.42 |
| TG(C58:5) M+Na_1 | ME548458 | NA | 0.43 | 0.00 | 1.52 | NA | 0.64 | 0.00 | 3.86 | 0.00 | 0.43 | 0.01 | 2.32 | 0.00 | 0.17 | NA | 0.41 |
| TG(C58:6) M+Na | ME548459 | NA | 0.43 | 0.00 | 1.78 | 0.00 | 0.59 | 0.00 | 3.83 | 0.00 | 0.37 | 0.01 | 2.51 | 0.00 | 0.11 | NA | 0.37 |
| TG(C58:7) M+Na | ME548460 | NA | 0.38 | 0.02 | 1.82 | 0.02 | 0.48 | 0.03 | 3.83 | 0.02 | 0.33 | 0.02 | 2.34 | NA | 0.12 | NA | 0.29 |
| TG(C54:1) M+Na_1 | ME548424 | NA | 0.20 | 0.01 | 1.83 | 0.01 | 0.38 | 0.01 | 4.37 | 0.08 | 0.32 | 0.01 | 2.46 | NA | 0.06 | NA | 0.35 |
| TG(C56:5) M+Na | ME548443 | 0.00 | 0.34 | 0.04 | 2.08 | NA | 0.60 | 0.02 | 3.81 | 0.01 | 0.32 | 0.03 | 2.71 | NA | 0.10 | 0.01 | 0.40 |
| TG(C58:8) M+Na | ME548463 | NA | 0.36 | 0.01 | 1.99 | NA | 0.46 | 0.01 | 4.15 | 0.00 | 0.31 | 0.00 | 2.51 | 0.00 | 0.10 | NA | 0.31 |
| TG(C54:7) M+Na | ME548433 | 0.00 | 0.20 | 0.02 | 2.11 | NA | 0.31 | 0.01 | 4.04 | NA | 0.15 | 0.01 | 2.58 | 0.01 | 0.07 | NA | 0.33 |
| TG(C56:8) M+Na | ME548447 | NA | 0.23 | 0.01 | 2.20 | NA | 0.35 | 0.00 | 4.07 | 0.00 | 0.13 | 0.00 | 2.59 | NA | 0.07 | NA | 0.34 |
| PC(O-C36:1) | ME548362 | NA | 0.28 | NA | 1.46 | NA | 0.75 | 0.00 | 2.91 | 0.00 | 0.68 | 0.00 | 2.62 | 0.00 | 0.40 | 0.00 | 1.10 |
| PC(O-C40:4) | ME548382 | 0.00 | 0.60 | 0.00 | 1.41 | NA | 0.98 | 0.00 | 2.88 | 0.01 | 0.74 | 0.00 | 2.24 | 0.00 | 0.66 | 0.00 | 1.29 |
| PC(O-C38:2)_1 | ME548372 | NA | 0.16 | NA | 1.21 | NA | 0.50 | 0.01 | 2.44 | 0.02 | 0.64 | NA | 2.88 | NA | 0.28 | 0.01 | 0.68 |
| PC(O-C36:0)_1 | ME548361 | NA | 0.14 | NA | 1.17 | NA | 0.29 | NA | 2.78 | NA | 0.27 | NA | 2.19 | NA | 0.18 | NA | 0.98 |
| PC(O-C38:0) | ME548368 | NA | 0.16 | NA | 0.85 | NA | 0.41 | NA | 2.79 | NA | 0.58 | NA | 2.05 | NA | 0.30 | NA | 0.72 |
| PC(O-C38:2) | ME548371 | NA | 0.51 | NA | 0.91 | NA | 0.87 | NA | 1.78 | 0.00 | 1.08 | NA | 1.89 | NA | 0.52 | NA | 0.64 |
| PC(O-C30:1) | ME548351 | NA | 0.37 | NA | 0.93 | NA | 0.89 | NA | 1.94 | NA | 0.86 | NA | 1.48 | NA | 0.48 | NA | 1.04 |
| PC(O-C40:3) | ME548381 | 0.00 | 0.48 | NA | 1.08 | NA | 0.79 | NA | 2.16 | 0.01 | 0.88 | NA | 1.75 | NA | 0.59 | NA | 0.87 |
| PC(O-C40:5) | ME548383 | NA | 0.53 | 0.00 | 1.43 | NA | 0.89 | 0.00 | 2.05 | 0.01 | 0.67 | 0.00 | 2.47 | NA | 0.45 | NA | 0.91 |
| PC(O-C40:6) | ME548384 | NA | 0.49 | 0.00 | 1.74 | 0.00 | 0.98 | 0.00 | 1.83 | 0.00 | 0.64 | 0.00 | 2.41 | NA | 0.30 | NA | 1.01 |
| Deoxy-DHCer (m18:0/20:0) | ME548243 | NA | 0.25 | NA | 1.60 | NA | 0.60 | NA | 2.20 | NA | 0.31 | NA | 1.78 | NA | 0.27 | NA | 0.89 |
| PC(O-C36:0) | ME548360 | NA | 0.24 | NA | 1.24 | NA | 0.64 | NA | 2.26 | 0.00 | 0.58 | NA | 2.03 | NA | 0.31 | NA | 0.89 |
| PC(C40:2) | ME548342 | NA | 0.76 | 0.00 | 1.57 | NA | 1.02 | 0.00 | 2.55 | 0.01 | 1.32 | 0.00 | 1.97 | NA | 0.48 | NA | 0.73 |
| PC(O-C34:3) | ME548359 | NA | 0.43 | 0.02 | 1.66 | NA | 1.09 | 0.01 | 2.30 | 0.03 | 0.84 | 0.01 | 1.77 | NA | 0.81 | 0.00 | 1.48 |
| CDP-choline | ME548208 | NA | 1.00 | NA | 2.46 | NA | 0.33 | NA | 1.74 | NA | 0.87 | NA | 1.26 | NA | 0.15 | NA | 0.20 |
| CMP | ME548226 | NA | 0.68 | NA | 1.71 | NA | 0.40 | NA | 2.16 | NA | 0.75 | NA | 1.48 | NA | 0.33 | NA | 0.50 |
| Guanine | ME548267 | NA | 0.36 | NA | 2.72 | NA | 0.46 | NA | 1.94 | NA | 0.24 | NA | 1.48 | NA | 0.14 | NA | 0.66 |
| Adenine | ME548197 | NA | 0.43 | NA | 2.08 | NA | 0.40 | NA | 1.57 | NA | 0.59 | NA | 1.35 | NA | 0.41 | NA | 1.17 |
| Deoxy-DHCer (m18:0/18:0) | ME548241 | NA | 0.19 | NA | 2.06 | NA | 0.49 | NA | 1.65 | NA | 0.19 | NA | 2.03 | NA | 0.18 | NA | 1.20 |
| Adenosine | ME548198 | NA | 0.76 | NA | 1.70 | NA | 0.50 | NA | 1.48 | NA | 0.70 | NA | 0.43 | NA | 0.25 | NA | 2.19 |
| ATP | ME548201 | NA | 0.86 | NA | 0.76 | NA | 0.72 | NA | 0.94 | NA | 1.01 | NA | 0.73 | NA | 1.64 | NA | 1.34 |
| L-Glutamine | ME548273 | NA | 1.16 | NA | 1.07 | NA | 0.67 | NA | 1.07 | NA | 1.10 | NA | 0.89 | NA | 0.89 | NA | 1.15 |
| L-Arginine | ME548269 | NA | 1.14 | NA | 1.20 | NA | 0.75 | NA | 1.10 | NA | 1.07 | NA | 0.88 | NA | 0.96 | NA | 0.91 |
| L-Histidine | ME548274 | NA | 1.18 | NA | 1.23 | NA | 0.73 | NA | 1.17 | NA | 1.13 | NA | 0.89 | NA | 0.89 | NA | 0.78 |
| L-Leucine | ME548278 | NA | 1.27 | NA | 1.24 | NA | 0.75 | NA | 1.08 | NA | 1.17 | NA | 0.88 | NA | 0.92 | NA | 0.69 |
| L-Isoleucine | ME548275 | NA | 1.35 | NA | 1.43 | NA | 0.53 | NA | 1.38 | NA | 1.25 | NA | 0.87 | NA | 0.74 | NA | 0.45 |
| L-Threonine | ME548284 | NA | 1.42 | NA | 1.08 | NA | 0.50 | NA | 1.32 | NA | 1.37 | NA | 0.76 | NA | 0.91 | NA | 0.63 |
| AMP | ME548200 | NA | 0.51 | NA | 1.22 | NA | 0.33 | NA | 2.88 | NA | 0.91 | NA | 0.59 | NA | 0.19 | NA | 1.36 |
| ADP | ME548199 | NA | 0.62 | NA | 0.94 | NA | 0.55 | NA | 2.04 | NA | 0.82 | NA | 0.90 | NA | 0.69 | NA | 1.46 |
| NAD | ME548303 | NA | 0.71 | NA | 0.80 | NA | 0.63 | NA | 1.90 | NA | 1.22 | NA | 0.87 | NA | 0.69 | NA | 1.18 |
| NADH | ME548304 | NA | 0.63 | NA | 0.72 | NA | 0.65 | NA | 1.90 | NA | 1.26 | NA | 0.90 | NA | 0.67 | NA | 1.26 |
| Cer(d18:1/20:4) | ME548214 | NA | 0.47 | 0.57 | 1.79 | NA | 0.26 | 0.68 | 1.27 | 0.18 | 0.46 | 0.37 | 1.32 | NA | 0.29 | 0.81 | 3.18 |
| Deoxy-Cer (m18:1/20:0) | ME548235 | NA | 0.12 | NA | 1.83 | NA | 0.15 | 0.01 | 3.36 | NA | 0.12 | NA | 1.69 | NA | 0.07 | 0.01 | 1.68 |
| PC(O-C34:0) | ME548356 | NA | 0.24 | 0.00 | 1.69 | 0.00 | 0.57 | 0.00 | 2.82 | 0.00 | 0.42 | 0.00 | 2.40 | NA | 0.36 | 0.00 | 2.08 |
| Taurine | ME548398 | NA | 0.07 | NA | 1.77 | NA | 0.06 | NA | 1.91 | NA | 0.10 | NA | 1.32 | NA | 0.14 | NA | 2.64 |
| Cer(d18:1/18:1) | ME548211 | 0.01 | 0.41 | 0.06 | 2.53 | NA | 0.29 | 0.06 | 2.42 | 0.03 | 0.36 | 0.05 | 2.11 | NA | 0.16 | 0.28 | 2.85 |
| Deoxy-Cer (m18:1/18:0) | ME548233 | 0.01 | 0.10 | 0.01 | 2.13 | NA | 0.12 | 0.01 | 2.98 | NA | 0.10 | 0.00 | 1.83 | NA | 0.06 | 0.01 | 3.06 |
| Deoxy-DHCer (m18:0/18:1) | ME548242 | 0.01 | 0.10 | 0.01 | 2.13 | NA | 0.12 | 0.01 | 2.98 | NA | 0.10 | 0.00 | 1.83 | NA | 0.06 | 0.01 | 3.06 |
| LPC(C20:3) | ME548294 | 0.11 | 3.42 | 0.12 | 1.82 | 0.04 | 1.33 | 0.11 | 2.32 | 0.14 | 2.12 | 0.05 | 1.88 | 0.08 | 0.97 | 0.03 | 1.46 |
| LPC(C20:5) | ME548296 | 0.12 | 2.41 | 0.11 | 1.78 | NA | 0.93 | 0.06 | 1.36 | 0.13 | 1.30 | 0.07 | 1.77 | 0.02 | 0.51 | 0.01 | 2.48 |
| LPC(C22:5) | ME548298 | 0.06 | 3.28 | 0.12 | 2.07 | 0.04 | 1.44 | 0.07 | 1.49 | 0.09 | 1.58 | 0.05 | 3.29 | 0.02 | 0.37 | 0.02 | 2.42 |
| PC(O-C28:0) | ME548349 | 0.02 | 1.14 | 0.03 | 2.41 | 0.03 | 1.48 | 0.02 | 1.62 | 0.02 | 1.30 | 0.02 | 2.21 | 0.02 | 1.91 | 0.02 | 3.76 |
| SM(d18:1/16:0) | ME548390 | 0.01 | 1.84 | 0.05 | 1.64 | 0.03 | 2.40 | 0.14 | 3.46 | 0.03 | 2.05 | 0.04 | 1.53 | 0.02 | 2.18 | 0.03 | 2.54 |
| PC(O-C30:0) | ME548350 | 0.00 | 0.94 | 0.01 | 1.03 | 0.01 | 1.83 | 0.01 | 1.64 | 0.01 | 1.41 | 0.01 | 1.44 | NA | 1.16 | 0.01 | 1.32 |
| PC(O-C32:1) | ME548353 | NA | 1.17 | 0.02 | 1.59 | 0.01 | 2.05 | 0.04 | 2.50 | 0.01 | 1.64 | 0.03 | 2.21 | 0.00 | 1.51 | 0.01 | 1.80 |
| PC(O-C36:2) | ME548363 | 0.00 | 1.18 | 0.01 | 1.27 | 0.00 | 2.23 | 0.01 | 2.29 | 0.00 | 1.87 | 0.01 | 1.75 | 0.00 | 1.71 | 0.00 | 1.67 |
| Acetylcarnitine | ME548196 | 0.29 | 0.82 | 0.51 | 2.34 | 0.33 | 0.88 | 0.54 | 2.58 | 0.31 | 1.03 | 0.64 | 2.20 | 0.31 | 0.68 | 0.50 | 2.64 |
| LPC(C14:0) | ME548287 | 0.42 | 1.84 | 0.39 | 2.29 | 0.32 | 1.11 | 0.48 | 3.20 | 0.55 | 1.70 | 0.29 | 1.94 | 0.24 | 0.59 | 0.13 | 1.30 |
| LPC(C20:4) | ME548295 | 0.11 | 2.71 | 0.16 | 3.25 | 0.04 | 1.15 | 0.11 | 2.93 | 0.11 | 1.33 | 0.05 | 2.76 | 0.04 | 0.61 | 0.02 | 2.61 |
| LPC(C22:6) | ME548299 | 0.05 | 2.69 | 0.14 | 3.24 | 0.02 | 0.78 | 0.10 | 3.22 | 0.07 | 1.26 | 0.06 | 3.39 | 0.02 | 0.54 | 0.01 | 1.82 |
| PC(C36:2) | ME548328 | 0.01 | 2.18 | 0.03 | 2.47 | 0.01 | 2.46 | 0.03 | 2.53 | 0.02 | 2.37 | 0.02 | 2.49 | 0.01 | 1.76 | 0.01 | 1.60 |
| PC(C38:2) | ME548334 | 0.00 | 2.08 | 0.01 | 2.00 | 0.00 | 2.33 | 0.01 | 2.48 | 0.00 | 2.83 | 0.01 | 2.32 | 0.00 | 1.28 | 0.00 | 1.26 |
| MG(C18:1) [-H2O] M+H | ME548302 | 0.02 | 2.40 | 0.04 | 2.09 | 0.02 | 2.19 | 0.06 | 2.12 | 0.03 | 2.09 | 0.03 | 2.96 | 0.02 | 1.35 | 0.02 | 2.54 |
| PC(C32:0) | ME548318 | 0.01 | 1.77 | 0.07 | 2.59 | 0.01 | 1.90 | 0.08 | 2.53 | 0.02 | 1.77 | 0.06 | 2.61 | 0.01 | 1.66 | 0.03 | 2.87 |
| PC(C32:1) | ME548319 | 0.01 | 1.63 | 0.06 | 2.72 | 0.01 | 1.83 | 0.05 | 2.50 | 0.01 | 1.78 | 0.06 | 2.97 | 0.01 | 1.60 | 0.03 | 2.71 |
| PC(C34:2) | ME548323 | 0.01 | 2.01 | 0.03 | 2.67 | 0.01 | 2.23 | 0.03 | 2.55 | 0.02 | 1.96 | 0.03 | 2.77 | 0.01 | 1.72 | 0.01 | 1.94 |
| PC(C36:3) | ME548329 | 0.01 | 1.98 | 0.03 | 2.67 | 0.01 | 2.25 | 0.03 | 2.52 | 0.02 | 2.00 | 0.02 | 2.62 | 0.01 | 1.57 | 0.01 | 2.26 |
| PC(C30:0) | ME548316 | 0.01 | 1.91 | 0.03 | 2.39 | 0.01 | 2.19 | 0.04 | 2.47 | 0.02 | 2.24 | 0.02 | 2.50 | 0.01 | 1.83 | 0.01 | 2.31 |
| PC(C34:1) | ME548322 | 0.02 | 1.83 | 0.09 | 2.49 | 0.02 | 2.01 | 0.09 | 2.54 | 0.03 | 1.98 | 0.07 | 2.59 | 0.01 | 1.75 | 0.03 | 2.43 |
| PC(C40:5) | ME548345 | 0.02 | 2.84 | 0.05 | 3.07 | 0.01 | 1.94 | 0.05 | 2.72 | 0.02 | 2.14 | 0.02 | 2.30 | 0.00 | 1.21 | 0.01 | 1.59 |
| PC(C34:3) | ME548324 | 0.01 | 1.76 | 0.02 | 3.13 | 0.00 | 1.97 | 0.01 | 3.04 | 0.01 | 1.45 | 0.01 | 3.02 | 0.00 | 1.44 | 0.01 | 1.91 |
| PC(C38:3) | ME548335 | 0.00 | 1.90 | 0.01 | 3.08 | 0.00 | 1.79 | 0.02 | 2.95 | 0.01 | 1.92 | 0.01 | 2.83 | 0.00 | 1.39 | 0.00 | 2.08 |
| PC(C38:4) | ME548336 | 0.02 | 2.00 | 0.04 | 2.97 | 0.02 | 1.65 | 0.04 | 3.01 | 0.02 | 1.80 | 0.02 | 2.89 | 0.01 | 1.28 | 0.01 | 2.18 |
| PC(C38:5) | ME548337 | 0.01 | 1.97 | 0.04 | 3.65 | 0.01 | 1.86 | 0.04 | 3.01 | 0.02 | 1.56 | 0.03 | 2.61 | 0.01 | 1.28 | 0.01 | 1.86 |
| PC(C40:4) | ME548344 | 0.00 | 1.99 | 0.01 | 3.23 | 0.00 | 1.54 | 0.01 | 2.63 | 0.00 | 1.71 | 0.01 | 2.50 | 0.00 | 1.21 | 0.00 | 1.54 |
| PC(C34:0) | ME548321 | 0.00 | 1.07 | 0.03 | 3.78 | 0.00 | 1.39 | 0.02 | 2.78 | 0.01 | 1.12 | 0.02 | 3.35 | 0.00 | 1.12 | 0.01 | 3.30 |
| PC(C36:4) | ME548330 | 0.03 | 1.64 | 0.05 | 3.34 | 0.03 | 1.40 | 0.06 | 3.24 | 0.04 | 1.20 | 0.03 | 2.70 | 0.02 | 1.21 | 0.03 | 2.95 |
| PC(C32:2) | ME548320 | 0.00 | 1.04 | 0.02 | 3.12 | 0.00 | 1.29 | 0.01 | 3.10 | 0.00 | 0.91 | 0.02 | 3.44 | 0.00 | 0.91 | 0.00 | 2.33 |
| PC(C36:1) | ME548327 | 0.00 | 1.26 | 0.03 | 3.37 | 0.00 | 1.60 | 0.02 | 3.21 | 0.01 | 1.50 | 0.01 | 3.33 | 0.00 | 1.11 | 0.01 | 2.52 |
| Cer(d18:1/16:0) | ME548209 | 0.03 | 1.36 | 0.12 | 2.37 | 0.05 | 1.63 | 0.19 | 3.65 | 0.07 | 1.16 | 0.09 | 2.47 | 0.01 | 1.12 | 0.06 | 2.42 |
| PC(O-C32:0) | ME548352 | 0.00 | 0.87 | 0.01 | 1.97 | 0.00 | 1.77 | 0.01 | 2.94 | 0.00 | 1.07 | 0.01 | 2.97 | 0.00 | 1.11 | 0.00 | 3.26 |
| PC(O-C34:1) | ME548357 | 0.00 | 1.21 | 0.01 | 2.05 | 0.00 | 1.98 | 0.01 | 2.89 | 0.01 | 1.62 | 0.01 | 2.69 | 0.00 | 1.60 | 0.00 | 2.93 |
| PC(O-C32:1)_1 | ME548354 | 0.00 | 0.29 | 0.00 | 2.34 | 0.00 | 0.78 | 0.01 | 3.67 | 0.00 | 0.54 | 0.01 | 3.57 | 0.00 | 0.46 | 0.00 | 2.74 |
| Cholesterol[-H2O] | ME548223 | 0.00 | 0.52 | 0.02 | 2.99 | 0.00 | 0.81 | 0.03 | 4.03 | 0.01 | 0.60 | 0.01 | 3.81 | 0.00 | 0.46 | 0.01 | 2.10 |
| PC(O-C36:2)_1 | ME548364 | 0.00 | 0.33 | 0.00 | 2.64 | 0.00 | 0.96 | 0.00 | 4.50 | 0.01 | 0.90 | 0.00 | 4.23 | 0.00 | 0.43 | 0.00 | 1.60 |
| C18-Sphingosine | ME548207 | 0.08 | 0.62 | 0.08 | 3.33 | 0.08 | 1.53 | 0.12 | 4.92 | 0.08 | 1.06 | 0.07 | 3.25 | 0.08 | 1.13 | 0.25 | 1.20 |
| PC(O-C38:5) | ME548375 | 0.02 | 0.95 | 0.02 | 2.89 | 0.02 | 1.88 | 0.02 | 4.33 | 0.02 | 1.31 | 0.02 | 3.42 | 0.02 | 0.96 | 0.02 | 2.04 |
| PC(O-C38:6) | ME548376 | 0.04 | 0.79 | 0.03 | 2.99 | 0.03 | 1.84 | 0.03 | 4.35 | 0.02 | 1.22 | 0.04 | 3.49 | 0.03 | 0.87 | 0.03 | 2.16 |
| PC(O-C36:5) | ME548367 | 0.05 | 0.43 | 0.22 | 3.02 | 0.05 | 1.00 | 0.22 | 5.69 | 0.08 | 0.65 | 0.18 | 2.79 | 0.03 | 0.60 | 0.11 | 2.87 |
| SM(d18:1/24:1) | ME548397 | 0.00 | 0.56 | 0.01 | 2.85 | 0.00 | 1.31 | 0.02 | 5.43 | 0.00 | 0.83 | 0.01 | 3.38 | 0.00 | 0.65 | 0.00 | 2.95 |
| PC(O-C32:2) | ME548355 | 0.01 | 0.55 | 0.01 | 2.77 | 0.01 | 1.38 | 0.02 | 4.55 | 0.00 | 0.97 | 0.02 | 3.98 | 0.01 | 0.82 | 0.01 | 2.87 |
| PC(O-C34:2) | ME548358 | 0.00 | 0.46 | 0.00 | 3.29 | 0.00 | 1.19 | 0.01 | 4.47 | 0.00 | 0.99 | 0.00 | 4.07 | 0.00 | 0.66 | 0.00 | 2.85 |
| PC(C38:6) | ME548338 | 0.01 | 1.27 | 0.02 | 3.36 | 0.01 | 1.03 | 0.02 | 4.78 | 0.01 | 1.24 | 0.01 | 2.96 | 0.01 | 0.76 | 0.01 | 2.50 |
| C18-Sphinganine | ME548206 | 0.05 | 0.50 | 0.06 | 3.36 | 0.05 | 0.96 | 0.08 | 4.76 | 0.06 | 0.80 | 0.06 | 3.32 | 0.06 | 0.86 | 0.34 | 2.62 |
| Creatine | ME548228 | 0.02 | 0.97 | 0.17 | 3.14 | 0.02 | 0.79 | 0.19 | 4.07 | 0.01 | 0.99 | 0.23 | 3.38 | 0.01 | 0.86 | 0.30 | 2.84 |
| PC(C40:7) | ME548347 | 0.00 | 1.88 | 0.01 | 3.42 | 0.00 | 1.48 | 0.01 | 3.99 | 0.01 | 1.77 | 0.01 | 2.83 | 0.00 | 0.96 | 0.00 | 1.62 |
| Gal/GlcCer(d18:1/22:0) | ME548265 | 0.01 | 0.74 | 0.01 | 3.48 | 0.01 | 1.20 | 0.02 | 4.13 | 0.08 | 0.91 | 0.01 | 2.51 | 0.01 | 0.70 | 0.01 | 1.77 |
| PC(C40:6) | ME548346 | 0.02 | 1.36 | 0.03 | 4.35 | 0.01 | 1.02 | 0.03 | 3.98 | 0.02 | 1.20 | 0.02 | 2.91 | 0.01 | 0.79 | 0.02 | 2.20 |
| LPC(C18:2) | ME548292 | 0.52 | 1.69 | 0.52 | 3.23 | 0.29 | 1.03 | 0.36 | 2.76 | 0.62 | 1.28 | 0.24 | 2.54 | 0.25 | 0.64 | 0.12 | 1.82 |
| LPC(C16:1) | ME548289 | 0.39 | 1.08 | 0.64 | 3.28 | 0.23 | 0.77 | 0.57 | 3.52 | 0.37 | 0.80 | 0.43 | 2.95 | 0.24 | 0.48 | 0.15 | 2.09 |
| LPC(C18:1) | ME548291 | 0.29 | 1.37 | 0.45 | 3.24 | 0.18 | 1.07 | 0.37 | 3.54 | 0.39 | 1.38 | 0.31 | 2.68 | 0.19 | 0.54 | 0.16 | 1.82 |
| LPC(C16:0) | ME548288 | 0.25 | 0.74 | 0.49 | 2.84 | 0.22 | 0.61 | 0.52 | 4.38 | 0.38 | 0.75 | 0.43 | 2.83 | 0.20 | 0.37 | 0.40 | 2.58 |
| Propionyl-Carnitine | ME548385 | 0.14 | 0.42 | 0.50 | 3.45 | 0.24 | 0.71 | 0.43 | 3.74 | 0.20 | 0.62 | 0.49 | 3.15 | 0.21 | 0.80 | 0.58 | 2.33 |
| SM(d18:1/22:0) | ME548395 | 0.00 | 0.28 | 0.01 | 3.85 | 0.00 | 0.58 | 0.01 | 4.88 | 0.01 | 0.38 | 0.01 | 3.51 | 0.00 | 0.29 | 0.00 | 3.78 |
| MG(C18:0) [-H2O] M+H | ME548301 | 0.11 | 0.42 | 0.21 | 4.88 | 0.12 | 0.67 | 0.18 | 3.96 | 0.19 | 0.46 | 0.18 | 2.99 | 0.13 | 0.34 | 0.09 | 2.83 |
| Cer(d18:1/20:3) | ME548213 | 0.02 | 0.86 | 0.21 | 3.74 | 0.01 | 0.78 | 0.16 | 3.30 | 0.03 | 0.73 | 0.17 | 3.63 | 0.01 | 0.55 | 0.08 | 2.53 |
| Deoxy-Cer (m18:1/18:1) | ME548234 | 0.00 | 0.44 | 0.02 | 3.92 | 0.00 | 0.50 | 0.01 | 3.48 | 0.00 | 0.42 | 0.02 | 3.97 | 0.00 | 0.27 | 0.01 | 2.34 |
| Creatinine | ME548229 | 0.01 | 0.10 | 0.14 | 5.23 | 0.01 | 0.12 | 0.27 | 4.06 | 0.01 | 0.10 | 0.30 | 4.47 | 0.01 | 0.17 | 0.07 | 2.95 |
| Cer(d18:1/18:0) | ME548210 | 0.00 | 0.48 | 0.04 | 4.52 | 0.00 | 0.57 | 0.03 | 3.89 | 0.01 | 0.47 | 0.03 | 4.52 | 0.00 | 0.32 | 0.01 | 2.70 |
| DHCer (d18:0/18:1) | ME548256 | 0.00 | 0.48 | 0.04 | 4.52 | 0.00 | 0.57 | 0.03 | 3.89 | 0.01 | 0.47 | 0.03 | 4.52 | 0.00 | 0.32 | 0.01 | 2.70 |
| LPC(C18:0) | ME548290 | 0.07 | 0.24 | 0.29 | 4.30 | 0.07 | 0.39 | 0.21 | 5.78 | 0.08 | 0.31 | 0.18 | 3.12 | 0.09 | 0.22 | 0.22 | 2.31 |
| PC(C38:7) | ME548339 | 0.00 | 0.32 | 0.00 | 3.83 | 0.00 | 0.25 | 0.00 | 4.98 | 0.00 | 0.23 | 0.00 | 3.42 | 0.00 | 0.14 | 0.00 | 1.22 |
| PC(C40:8) | ME548348 | 0.00 | 0.42 | 0.00 | 4.23 | 0.00 | 0.46 | 0.00 | 4.87 | 0.00 | 0.28 | 0.00 | 2.93 | 0.00 | 0.18 | 0.00 | 1.20 |
| PC(C36:5) | ME548331 | 0.00 | 0.76 | 0.01 | 4.25 | 0.00 | 0.64 | 0.01 | 4.47 | 0.00 | 0.54 | 0.00 | 3.73 | 0.00 | 0.47 | 0.00 | 1.70 |
| PC(C28:0) | ME548315 | 0.00 | 0.57 | 0.00 | 3.71 | 0.00 | 0.92 | 0.00 | 5.01 | 0.00 | 0.90 | 0.00 | 3.84 | 0.00 | 0.56 | 0.00 | 1.87 |
| PC(C30:1) | ME548317 | 0.00 | 0.48 | 0.01 | 3.78 | 0.00 | 0.79 | 0.01 | 4.83 | 0.00 | 0.65 | 0.01 | 4.10 | 0.00 | 0.53 | 0.00 | 1.80 |
| PC(C34:4) | ME548325 | 0.00 | 0.46 | 0.00 | 4.94 | 0.00 | 0.55 | 0.00 | 4.76 | 0.00 | 0.37 | 0.00 | 3.65 | 0.00 | 0.31 | 0.00 | 1.54 |
| PC(C36:0) | ME548326 | 0.00 | 0.32 | 0.00 | 4.49 | 0.00 | 0.54 | 0.00 | 3.75 | 0.01 | 0.47 | 0.00 | 3.80 | 0.00 | 0.28 | 0.00 | 1.71 |
| SM(d18:1/18:1) | ME548393 | 0.01 | 0.60 | 0.04 | 1.55 | 0.01 | 0.62 | 0.14 | 4.06 | 0.01 | 0.64 | 0.05 | 1.70 | 0.01 | 0.58 | 0.04 | 4.16 |
| SM(d18:1/18:0) | ME548392 | 0.01 | 0.86 | 0.09 | 2.43 | 0.01 | 0.92 | 0.16 | 3.65 | 0.02 | 0.85 | 0.09 | 2.98 | 0.01 | 1.07 | 0.04 | 4.80 |
| SM(d18:1/20:0) | ME548394 | 0.00 | 0.88 | 0.01 | 2.89 | 0.00 | 0.82 | 0.02 | 3.59 | 0.01 | 0.99 | 0.01 | 2.79 | 0.00 | 0.73 | 0.00 | 4.64 |
| O-LPC(C18:1) | ME548308 | 0.04 | 0.75 | 0.18 | 1.88 | 0.04 | 1.21 | 0.40 | 5.76 | 0.08 | 1.21 | 0.10 | 1.87 | 0.03 | 0.53 | 0.04 | 1.88 |
| PC(O-C36:4) | ME548366 | 0.04 | 1.04 | 0.16 | 2.16 | 0.04 | 1.71 | 0.20 | 4.65 | 0.05 | 1.25 | 0.14 | 2.14 | 0.04 | 1.08 | 0.07 | 3.14 |
| Cer(d18:1/24:1) | ME548219 | 0.00 | 0.61 | 0.01 | 3.01 | 0.00 | 1.13 | 0.02 | 6.13 | 0.01 | 0.83 | 0.01 | 4.01 | 0.00 | 0.38 | 0.01 | 1.22 |
| PC(O-C38:7) | ME548377 | 0.02 | 0.57 | 0.03 | 2.78 | 0.03 | 1.01 | 0.03 | 5.86 | 0.06 | 0.77 | 0.04 | 4.05 | 0.03 | 0.54 | 0.02 | 1.72 |
| TG(C54:2) M+Na_1 | ME548426 | 0.01 | 0.53 | 0.03 | 3.19 | 0.01 | 0.94 | 0.02 | 6.78 | 0.03 | 0.80 | 0.01 | 4.85 | 0.00 | 0.17 | 0.01 | 0.61 |
| TG(C54:6) M+Na | ME548432 | 0.05 | 0.35 | 0.09 | 3.96 | 0.05 | 0.60 | 0.06 | 6.76 | 0.04 | 0.22 | 0.06 | 4.86 | 0.05 | 0.08 | 0.06 | 0.62 |
| TG(C48:2) M+Na | ME548403 | 0.01 | 0.19 | 0.02 | 3.55 | 0.01 | 0.55 | 0.01 | 6.87 | 0.01 | 0.23 | 0.01 | 5.72 | 0.01 | 0.09 | 0.01 | 0.69 |
| TG(C50:3) M+Na | ME548411 | 0.04 | 0.23 | 0.05 | 3.70 | 0.04 | 0.53 | 0.04 | 6.35 | 0.04 | 0.20 | 0.04 | 5.81 | 0.04 | 0.08 | 0.04 | 0.70 |
| TG(C48:0) M+Na_1 | ME548400 | 0.04 | 0.17 | 0.09 | 3.36 | 0.04 | 0.39 | 0.08 | 6.59 | 0.14 | 0.26 | 0.06 | 5.36 | 0.04 | 0.10 | 0.05 | 0.97 |
| TG(C48:1) M+Na_1 | ME548402 | 0.01 | 0.29 | 0.01 | 3.37 | 0.01 | 0.79 | 0.02 | 6.59 | 0.04 | 0.39 | 0.02 | 5.23 | 0.01 | 0.14 | 0.01 | 0.84 |
| TG(C50:1) M+Na_1 | ME548408 | 0.02 | 0.31 | 0.05 | 3.66 | 0.03 | 0.66 | 0.04 | 6.38 | 0.12 | 0.39 | 0.03 | 5.30 | 0.02 | 0.12 | 0.02 | 0.80 |
| TG(C52:1) M+Na_1 | ME548416 | 0.01 | 0.34 | 0.03 | 3.77 | 0.01 | 0.64 | 0.02 | 6.66 | 0.03 | 0.49 | 0.02 | 5.19 | 0.00 | 0.11 | 0.01 | 0.65 |
| TG(C52:4) M+Na | ME548420 | 0.01 | 0.26 | 0.03 | 4.20 | 0.00 | 0.54 | 0.02 | 6.08 | 0.01 | 0.22 | 0.01 | 5.25 | 0.00 | 0.12 | 0.01 | 0.64 |
| TG(C54:2) M+Na | ME548425 | 0.01 | 0.64 | 0.05 | 3.29 | 0.01 | 1.23 | 0.03 | 5.93 | 0.06 | 0.82 | 0.03 | 5.00 | 0.01 | 0.24 | 0.01 | 0.62 |
| TG(C54:3) M+Na_1 | ME548428 | 0.01 | 0.61 | 0.03 | 3.29 | 0.00 | 1.18 | 0.01 | 6.04 | 0.03 | 0.79 | 0.01 | 5.10 | 0.01 | 0.22 | 0.01 | 0.66 |
| TG(C50:1) M+Na | ME548407 | 0.01 | 0.33 | 0.03 | 3.59 | 0.01 | 0.84 | 0.02 | 6.13 | 0.05 | 0.42 | 0.02 | 5.59 | 0.01 | 0.14 | 0.01 | 0.77 |
| TG(C52:3) M+Na | ME548419 | 0.01 | 0.37 | 0.03 | 3.78 | 0.01 | 0.81 | 0.02 | 6.03 | 0.03 | 0.38 | 0.02 | 5.62 | 0.01 | 0.15 | 0.01 | 0.71 |
| TG(C54:4) M+Na_1 | ME548430 | 0.01 | 0.50 | 0.01 | 3.52 | 0.01 | 0.88 | 0.01 | 6.05 | 0.01 | 0.45 | 0.01 | 5.28 | 0.01 | 0.15 | 0.01 | 0.69 |
| TG(C50:0) M+Na | ME548405 | 0.01 | 0.31 | 0.04 | 3.76 | 0.02 | 0.71 | 0.04 | 6.09 | 0.12 | 0.42 | 0.03 | 5.28 | 0.02 | 0.13 | 0.02 | 0.78 |
| TG(C50:2) M+Na_1 | ME548410 | 0.01 | 0.29 | 0.00 | 3.56 | 0.01 | 0.75 | 0.01 | 6.05 | 0.06 | 0.38 | 0.01 | 5.37 | 0.01 | 0.13 | 0.01 | 0.74 |
| TG(C52:2) M+Na | ME548417 | 0.04 | 0.38 | 0.25 | 3.60 | 0.08 | 0.85 | 0.07 | 5.77 | 0.07 | 0.39 | 0.17 | 5.30 | 0.04 | 0.16 | 0.04 | 0.70 |
| TG(C52:1) M+Na | ME548415 | 0.02 | 0.50 | 0.04 | 3.61 | 0.02 | 1.01 | 0.03 | 5.68 | 0.12 | 0.71 | 0.03 | 5.21 | 0.02 | 0.18 | 0.02 | 0.75 |
| TG(C52:2) M+Na_1 | ME548418 | 0.02 | 0.51 | 0.02 | 3.63 | 0.02 | 0.99 | 0.03 | 5.80 | 0.11 | 0.69 | 0.02 | 5.14 | 0.02 | 0.19 | 0.02 | 0.75 |
| TG(C50:0) M+Na_1 | ME548406 | 0.01 | 0.17 | 0.05 | 3.41 | 0.01 | 0.35 | 0.04 | 6.28 | 0.08 | 0.23 | 0.02 | 4.53 | 0.02 | 0.09 | 0.02 | 0.72 |
| TG(C54:4) M+Na | ME548429 | 0.11 | 0.43 | 0.38 | 3.48 | 0.09 | 0.80 | 0.18 | 6.20 | 0.16 | 0.35 | 0.17 | 4.33 | 0.10 | 0.16 | 0.19 | 0.62 |
| TG(C54:5) M+Na | ME548431 | 0.25 | 0.33 | 0.29 | 3.41 | 0.25 | 0.63 | 0.27 | 5.93 | 0.25 | 0.24 | 0.28 | 4.16 | 0.26 | 0.11 | 0.26 | 0.59 |
| TG(C48:3) M+Na | ME548404 | 0.00 | 0.12 | 0.01 | 3.44 | 0.01 | 0.28 | 0.01 | 5.35 | 0.01 | 0.10 | 0.01 | 4.71 | 0.00 | 0.04 | 0.01 | 0.51 |
| TG(C54:3) M+Na | ME548427 | 0.15 | 0.50 | 0.29 | 3.13 | 0.16 | 0.87 | 0.30 | 5.43 | 0.14 | 0.43 | 0.25 | 4.97 | 0.13 | 0.15 | 0.18 | 0.66 |
| TG(C48:1) M+Na | ME548401 | 0.03 | 0.16 | 0.22 | 2.82 | 0.13 | 0.41 | 0.21 | 5.13 | 0.06 | 0.16 | 0.15 | 4.54 | 0.03 | 0.11 | 0.16 | 0.52 |
| TG(C50:2) M+Na | ME548409 | 0.25 | 0.21 | 0.56 | 3.04 | 0.34 | 0.46 | 0.41 | 5.11 | 0.24 | 0.18 | 0.47 | 4.87 | 0.23 | 0.09 | 0.29 | 0.54 |
| SM(d18:1/16:1) | ME548391 | 0.01 | 0.16 | 0.01 | 1.77 | 0.01 | 0.18 | 0.05 | 10.72 | 0.01 | 0.18 | 0.01 | 1.90 | 0.01 | 0.19 | 0.01 | 2.78 |
| C18-Phytosphingosine | ME548205 | 0.33 | 0.42 | 0.29 | 1.05 | 0.35 | 0.92 | 1.14 | 7.69 | 0.36 | 0.58 | 0.33 | 1.01 | 0.34 | 0.69 | 0.53 | 1.39 |
| C18-Deoxysphingosine | ME548204 | 0.01 | 0.29 | 0.01 | 3.18 | 0.02 | 0.54 | 0.02 | 6.83 | 0.04 | 0.27 | 0.01 | 2.23 | 0.01 | 0.32 | 0.08 | 3.51 |
| LPC(C20:0) | ME548293 | 0.03 | 0.22 | 0.23 | 2.66 | 0.05 | 0.28 | 0.21 | 6.17 | 0.04 | 0.34 | 0.16 | 2.18 | 0.03 | 0.13 | 0.20 | 2.28 |
| SM(d18:1/14:0) | ME548389 | 0.00 | 0.46 | 0.00 | 2.41 | 0.01 | 0.77 | 0.01 | 7.13 | 0.00 | 0.57 | 0.00 | 2.22 | 0.00 | 0.53 | 0.00 | 2.46 |
| SM(d18:1/24:0) | ME548396 | 0.00 | 0.11 | 0.01 | 2.66 | 0.00 | 0.27 | 0.01 | 7.34 | 0.00 | 0.13 | 0.00 | 2.41 | 0.00 | 0.11 | 0.00 | 2.35 |
| O-LPC(C20:3) | ME548311 | 0.02 | 0.42 | 0.02 | 1.29 | 0.02 | 0.65 | 0.07 | 7.31 | 0.01 | 0.78 | 0.04 | 1.81 | 0.02 | 0.21 | 0.03 | 1.42 |
| O-LPC(C16:0) | ME548305 | 0.02 | 0.50 | 0.16 | 1.79 | 0.04 | 1.07 | 0.41 | 7.85 | 0.05 | 0.96 | 0.15 | 2.46 | 0.02 | 0.40 | 0.09 | 2.00 |
| O-LPC(C18:0) | ME548307 | 0.05 | 0.62 | 0.13 | 1.83 | 0.05 | 0.86 | 0.28 | 8.36 | 0.06 | 0.96 | 0.12 | 2.20 | 0.04 | 0.37 | 0.09 | 1.88 |
| O-LPC(C18:2) | ME548310 | 0.02 | 0.25 | 0.08 | 2.11 | 0.02 | 0.55 | 0.13 | 7.52 | 0.03 | 0.52 | 0.08 | 2.51 | 0.01 | 0.13 | 0.02 | 0.72 |
| Cer(d18:1/24:0)_1 | ME548218 | 0.00 | 0.19 | 0.02 | 2.84 | 0.00 | 0.42 | 0.03 | 7.18 | 0.01 | 0.24 | 0.01 | 2.70 | 0.00 | 0.13 | 0.02 | 1.00 |
| DHCer (d18:0/24:1)_1 | ME548262 | 0.00 | 0.19 | 0.02 | 2.84 | 0.00 | 0.42 | 0.03 | 7.18 | 0.01 | 0.24 | 0.01 | 2.70 | 0.00 | 0.13 | 0.02 | 1.00 |
| O-LPC(C16:1) | ME548306 | 0.01 | 0.07 | 0.11 | 2.31 | 0.01 | 0.18 | 0.18 | 9.36 | 0.02 | 0.15 | 0.10 | 2.40 | 0.01 | 0.08 | 0.03 | 0.67 |
| Cer(d18:1/26:1) | ME548222 | 0.07 | 0.30 | 0.13 | 1.99 | 0.04 | 0.69 | 0.19 | 8.51 | 0.12 | 0.46 | 0.06 | 2.58 | 0.05 | 0.24 | 0.37 | 0.89 |
| O-LPC(C18:1)_1 | ME548309 | 0.01 | 0.14 | 0.08 | 1.75 | 0.01 | 0.41 | 0.12 | 8.33 | 0.03 | 0.28 | 0.08 | 2.58 | 0.01 | 0.06 | 0.03 | 1.29 |
| Gal/GlcCer(d18:1/16:0) | ME548264 | NA | 1.49 | NA | 0.69 | 0.01 | 1.72 | 0.03 | 0.92 | 0.03 | 1.69 | NA | 0.63 | 0.01 | 1.80 | NA | 0.62 |
| 1-deoxymethylsphinganine | ME548193 | 0.05 | 2.73 | 0.06 | 0.67 | 0.06 | 2.36 | 0.06 | 0.53 | 0.08 | 2.96 | 0.06 | 2.46 | 0.05 | 2.92 | 0.05 | 2.80 |
| MG(C16:0) [-H2O] M+H | ME548300 | 0.08 | 4.08 | 0.05 | 1.38 | 0.06 | 2.16 | 0.06 | 1.16 | 0.10 | 2.47 | 0.05 | 1.87 | 0.15 | 1.92 | 0.04 | 2.29 |
| 4-Hydroxyproline | ME548194 | 0.29 | 0.75 | 0.76 | 0.41 | 0.63 | 0.81 | 4.74 | 3.91 | 0.47 | 0.81 | 0.67 | 0.36 | 0.33 | 0.82 | 1.27 | 0.76 |
| L-Glutamic acid | ME548272 | 0.20 | NA | 0.09 | NA | 0.19 | NA | 0.09 | NA | 0.19 | NA | 0.11 | NA | 0.12 | NA | 0.06 | NA |
| Cytosine | ME548231 | 0.70 | NA | 1.34 | NA | 1.13 | NA | 2.32 | NA | 1.03 | NA | 1.76 | NA | 0.61 | NA | 0.99 | NA |
| Cytosine_1 | ME548232 | 0.71 | NA | 2.61 | NA | 0.89 | NA | 1.27 | NA | 0.37 | NA | 2.18 | NA | 0.41 | NA | 1.49 | NA |
| Riboflavin | ME548388 | 1.81 | 0.10 | 0.86 | 0.23 | 1.68 | 0.06 | 1.20 | 0.40 | 2.00 | 0.11 | 1.69 | 0.25 | 1.97 | 0.11 | 1.27 | 0.37 |
| Dihydrofolic acid | ME548263 | 0.81 | NA | 0.92 | NA | 0.69 | NA | 0.60 | NA | 1.18 | NA | 0.48 | NA | 1.93 | NA | 0.73 | NA |
| Pyridoxine_1 | ME548387 | 1.09 | NA | 0.92 | NA | 1.02 | NA | 0.33 | NA | 0.98 | NA | 0.35 | NA | 1.15 | NA | 1.01 | NA |
| L-Asparagine | ME548270 | 0.90 | NA | 1.11 | NA | 1.00 | NA | 1.03 | NA | 0.91 | NA | 0.92 | NA | 0.81 | NA | 1.00 | NA |
| L-Serine | ME548283 | 0.93 | NA | 0.94 | NA | 0.88 | NA | 0.72 | NA | 1.03 | NA | 1.08 | NA | 1.22 | NA | 0.94 | NA |
| Betaine | ME548202 | 0.66 | 0.74 | 0.78 | 0.98 | 0.60 | 0.49 | 1.16 | 1.65 | 0.68 | 0.79 | 1.32 | 1.12 | 0.75 | 0.58 | 2.27 | 2.36 |
| Choline | ME548224 | 1.28 | 1.37 | 0.75 | 1.84 | 1.19 | 0.90 | 0.51 | 1.12 | 1.07 | 1.12 | 0.15 | 0.90 | 1.06 | 0.91 | 0.58 | 1.32 |
| L-Carnitine | ME548271 | 0.95 | 0.86 | 0.79 | 1.77 | 0.99 | 0.81 | 0.71 | 1.50 | 0.86 | 0.88 | 0.65 | 1.40 | 0.89 | 0.84 | 0.74 | 1.33 |
| Butanoyl-Carnitine | ME548203 | 0.78 | 0.85 | 0.82 | 1.98 | 0.67 | 0.91 | 0.66 | 2.29 | 0.77 | 1.21 | 0.60 | 1.24 | 0.58 | 1.46 | 0.45 | 0.93 |
| L-Proline | ME548282 | 0.91 | 0.90 | 1.01 | 1.30 | 1.07 | 0.84 | 1.34 | 2.27 | 0.96 | 1.01 | 1.01 | 1.21 | 0.74 | 0.64 | 0.82 | 0.89 |
| Pyridoxine | ME548386 | 1.51 | 1.41 | 0.89 | 0.91 | 1.42 | 0.70 | 0.35 | 0.31 | 1.35 | 1.23 | 0.37 | 0.21 | 1.60 | 1.00 | 0.96 | 0.47 |
| L-Tyrosine | ME548286 | 1.37 | 0.54 | 1.71 | 0.56 | 1.35 | 0.32 | 0.91 | 0.81 | 0.98 | 0.70 | 1.03 | 0.43 | 1.21 | 0.35 | 1.70 | 0.45 |
| L-Methionine | ME548280 | 1.14 | 1.02 | 1.28 | 0.93 | 1.16 | 0.62 | 0.89 | 0.92 | 1.07 | 0.93 | 1.01 | 0.71 | 1.16 | 0.75 | 1.18 | 0.71 |
| 5-Oxoproline | ME548195 | 1.20 | 1.13 | 1.19 | 1.07 | 1.09 | 0.63 | 0.94 | 1.07 | 1.11 | 1.05 | 1.10 | 0.90 | 1.05 | 0.87 | 1.21 | 1.16 |
| L-Lysine | ME548279 | 1.06 | 1.25 | 1.04 | 1.15 | 1.05 | 0.77 | 0.93 | 1.05 | 1.02 | 1.29 | 0.96 | 0.85 | 1.06 | 0.94 | 0.88 | 0.89 |
| L-Tryptophan | ME548285 | 1.31 | 1.10 | 1.68 | 1.16 | 1.31 | 0.35 | 0.73 | 0.84 | 1.10 | 0.81 | 1.13 | 1.01 | 1.14 | 0.45 | 1.24 | 0.53 |
| L-Phenylalanine | ME548281 | 1.24 | 0.87 | 1.56 | 1.06 | 1.24 | 0.36 | 1.25 | 1.04 | 1.31 | 0.83 | 1.27 | 0.61 | 1.18 | 0.46 | 1.26 | 0.40 |
| Thiamine | ME548465 | 1.10 | 1.02 | 1.43 | 1.04 | 1.15 | 0.58 | 1.38 | 1.19 | 1.01 | 0.99 | 1.20 | 0.67 | 1.03 | 0.73 | 1.08 | 0.47 |
| Citrulline | ME548225 | 0.65 | 0.74 | 0.99 | 1.75 | 0.45 | 0.65 | 2.75 | 2.56 | 0.90 | 0.99 | 1.43 | 1.82 | 0.21 | 0.42 | 0.60 | 0.95 |
| Cytidine | ME548230 | 0.54 | 0.86 | 1.72 | 3.19 | 0.69 | 0.63 | 0.83 | 1.64 | 0.31 | 0.72 | 1.34 | 1.74 | 0.34 | 0.36 | 0.96 | 1.07 |
Factors:
| F1 | Genotype:PTCC; PTEN-/-; TP53-/-; CDKN2A-/-; CDKN2B-/- | Age:1-month-old | Extracted Sample:Culture medium |
| F2 | Genotype:PTCC; PTEN-/-; TP53-/-; CDKN2A-/-; CDKN2B-/- | Age:1-month-old | Extracted Sample:Organoid |
| F3 | Genotype:PTCC; PTEN-/-; TP53-/-; CDKN2A-/-; CDKN2B-/- | Age:4-month-old | Extracted Sample:Culture medium |
| F4 | Genotype:PTCC; PTEN-/-; TP53-/-; CDKN2A-/-; CDKN2B-/- | Age:4-month-old | Extracted Sample:Organoid |
| F5 | Genotype:PTN; PTEN-/-; TP53-/-; NF1-/- | Age:1-month-old | Extracted Sample:Culture medium |
| F6 | Genotype:PTN; PTEN-/-; TP53-/-; NF1-/- | Age:1-month-old | Extracted Sample:Organoid |
| F7 | Genotype:PTN; PTEN-/-; TP53-/-; NF1-/- | Age:4-month-old | Extracted Sample:Culture medium |
| F8 | Genotype:PTN; PTEN-/-; TP53-/-; NF1-/- | Age:4-month-old | Extracted Sample:Organoid |
| F9 | Genotype:PT; PTEN-/-; TP53-/- | Age:1-month-old | Extracted Sample:Culture medium |
| F10 | Genotype:PT; PTEN-/-; TP53-/- | Age:1-month-old | Extracted Sample:Organoid |
| F11 | Genotype:PT; PTEN-/-; TP53-/- | Age:4-month-old | Extracted Sample:Culture medium |
| F12 | Genotype:PT; PTEN-/-; TP53-/- | Age:4-month-old | Extracted Sample:Organoid |
| F13 | Genotype:WT; wildtype | Age:1-month-old | Extracted Sample:Culture medium |
| F14 | Genotype:WT; wildtype | Age:1-month-old | Extracted Sample:Organoid |
| F15 | Genotype:WT; wildtype | Age:4-month-old | Extracted Sample:Culture medium |
| F16 | Genotype:WT; wildtype | Age:4-month-old | Extracted Sample:Organoid |
