Clustering data with hclust algorithm for (Study ST000721)
(Analysis AN001127)| Metabolite | Structure | 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 | F27 | F28 | F29 | F30 | F31 | F32 | F33 | F34 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| CYTIDINE 5^-DIPHOSPHOCHOLINE (M+K)+ | ME202522 | NA | NA | NA | 2.84 | 0.65 | 0.78 | 0.44 | 1.24 | 0.54 | 1.38 | 0.92 | 1.86 | 0.87 | NA | 0.90 | 1.24 | 1.00 | 1.32 | 0.81 | 0.43 | 1.20 | 0.52 | 1.06 | 0.55 | 1.03 | 0.89 | 0.53 | 1.21 | 0.47 | 0.98 | 1.40 | 0.79 | 1.23 | 1.14 |
| 16:0 LYSO PC (M+NA)+ | ME202491 | NA | NA | NA | 0.85 | 1.82 | 0.99 | 1.01 | 1.50 | 0.95 | 0.75 | 0.71 | 1.07 | 1.18 | 1.23 | 1.05 | 1.06 | 1.06 | 0.80 | 0.97 | 0.84 | 0.89 | 0.97 | 0.89 | 1.17 | 0.96 | 1.05 | 0.90 | 0.80 | 1.03 | 1.03 | 0.90 | 0.94 | 1.52 | 1.25 |
| CREATINE (M+H)+ | ME202518 | NA | NA | NA | 0.41 | 1.43 | 1.17 | 1.05 | 1.29 | NA | 0.16 | NA | 0.99 | 1.29 | 1.92 | 1.60 | 0.64 | 0.87 | 0.47 | 0.82 | 0.61 | 1.40 | 1.74 | 0.85 | 0.96 | 1.14 | 1.33 | 0.66 | 0.56 | 1.16 | 1.45 | 0.63 | 0.80 | 2.60 | 0.63 |
| ADIPIC ACID (M+NA)+ | ME202507 | NA | NA | NA | 1.04 | 0.62 | 1.43 | NA | 1.18 | 0.27 | 2.22 | 0.39 | 1.64 | 0.99 | 0.41 | 0.41 | NA | 0.83 | 0.75 | NA | 1.75 | 0.38 | 0.79 | 1.45 | 1.80 | 0.99 | 0.66 | 0.78 | 1.04 | 1.00 | NA | 1.67 | 0.45 | 0.90 | 0.81 |
| 4-QUINOLINECARBOXYLIC ACID #2 (M+H)+ | ME202501 | NA | NA | NA | 0.32 | 0.23 | 0.15 | 0.06 | 0.27 | 0.29 | 0.56 | 0.98 | 0.29 | 0.46 | 0.37 | 0.25 | 0.61 | 0.21 | 0.36 | 1.46 | 0.96 | 0.19 | 0.32 | 0.38 | 4.18 | 0.15 | 0.40 | 2.90 | 0.49 | 3.95 | 7.78 | 0.42 | 0.38 | 0.51 | 0.29 |
| BIS(2-ETHYLHEXYL)PHTHALIC ACID (M+NA)+ | ME202510 | NA | NA | NA | 0.67 | 0.49 | 0.84 | 0.40 | 1.86 | 1.32 | 1.75 | 1.35 | 1.11 | 1.06 | 1.19 | 0.94 | 1.46 | 1.14 | 0.79 | 1.18 | 0.62 | 1.17 | 0.79 | 0.96 | 1.01 | 1.06 | 0.87 | 0.97 | 1.02 | 1.11 | 0.94 | 1.07 | 0.92 | 0.88 | 0.91 |
| 5^-METHYLTHIOADENOSINE (M+H)+ | ME202502 | NA | NA | NA | 0.76 | 1.03 | 0.34 | 0.58 | 0.64 | 0.73 | 1.19 | 1.12 | 0.91 | 1.36 | 0.84 | 1.11 | 1.02 | 0.89 | 0.78 | 0.95 | 0.99 | 0.79 | 0.87 | 0.91 | 1.09 | 0.88 | 0.92 | 0.95 | 1.17 | 1.17 | 1.62 | 0.91 | 1.05 | 1.01 | 1.23 |
| CHOLESTEROL (M+H)+[-H2O] | ME202514 | NA | NA | NA | 0.93 | 1.05 | 0.98 | 1.00 | 1.08 | 0.79 | 0.85 | 0.81 | 0.88 | 1.06 | 1.01 | 0.89 | 1.40 | 1.12 | 1.10 | 0.90 | 1.03 | 0.95 | 0.97 | 0.86 | 0.93 | 1.08 | 1.07 | 1.00 | 0.93 | 1.11 | 1.14 | 0.91 | 0.99 | 1.01 | 1.12 |
| 16:0 LYSO PC (M+H)+ | ME202490 | NA | NA | NA | 0.84 | 0.50 | 1.09 | 1.31 | 0.86 | 0.91 | 0.58 | 0.88 | 1.13 | 1.07 | 0.99 | 0.94 | 0.79 | 0.92 | 0.92 | 1.13 | 0.91 | 0.86 | 0.94 | 1.12 | 1.02 | 1.05 | 0.99 | 0.93 | 1.06 | 0.75 | 0.86 | 1.09 | 1.10 | 0.76 | 1.03 |
| CYSTATHIONINE (M+H)+ | ME202520 | NA | NA | NA | 1.22 | 0.94 | 0.82 | 0.61 | 1.01 | 0.60 | 1.09 | 1.17 | 0.96 | 0.90 | 1.32 | 1.45 | NA | 0.92 | 0.91 | 1.33 | 0.92 | 1.06 | 0.74 | 1.15 | 0.80 | 1.16 | 1.15 | 0.80 | 1.04 | 1.02 | 0.98 | 0.98 | 0.90 | 1.26 | 0.91 |
| ASPARAGINE (M+H)+ | ME202508 | NA | NA | NA | NA | NA | NA | NA | 1.18 | NA | 0.81 | 0.61 | 1.40 | 1.41 | 1.55 | 1.36 | 0.62 | 0.78 | 0.85 | NA | 0.37 | 0.92 | 2.84 | 1.29 | 0.86 | 0.75 | 1.30 | NA | 1.41 | 0.65 | 1.34 | 0.63 | 0.55 | 2.66 | 0.42 |
| CAFFEINE (M+NA)+ | ME202512 | NA | NA | NA | 2.87 | 2.69 | NA | 0.24 | 0.57 | NA | 0.95 | 1.64 | 0.81 | 0.37 | 0.11 | 1.03 | 0.98 | 0.63 | 1.17 | 0.72 | 1.24 | 0.27 | 1.01 | 1.54 | 1.67 | 1.00 | 1.41 | 0.70 | 1.45 | 0.59 | 0.44 | 0.59 | 0.90 | NA | 1.08 |
| 20:0 LYSO PC (M+H)+ | ME202495 | NA | NA | NA | 0.96 | NA | 1.08 | 1.56 | 0.87 | 0.53 | NA | NA | 1.44 | 0.53 | NA | 0.97 | 0.41 | 0.60 | NA | 0.57 | 0.60 | 0.91 | 0.93 | 1.40 | 1.00 | 1.18 | 1.06 | 1.01 | 1.15 | 0.77 | 0.70 | 1.20 | 0.93 | 0.85 | 0.71 |
| 1-METHYLXANTHINE (M+H)+ | ME202489 | NA | NA | NA | 0.88 | 1.20 | 1.03 | 1.09 | 0.85 | 1.00 | 1.11 | 1.15 | 1.01 | 1.02 | 1.08 | 0.96 | 0.77 | 0.96 | 0.93 | 1.01 | 1.03 | 0.90 | 1.02 | 1.09 | 1.10 | 0.99 | 0.96 | 1.00 | 1.02 | 0.97 | 0.98 | 0.99 | 1.03 | 0.96 | 0.99 |
| 4-ACETAMINOPHEN SULFATE (M+H)+ | ME202498 | NA | NA | NA | NA | 0.04 | NA | NA | 0.08 | NA | NA | 0.13 | NA | NA | NA | 1.92 | NA | 0.11 | 0.60 | NA | NA | NA | NA | 0.73 | NA | 1.34 | 0.17 | 0.92 | 2.52 | 0.02 | 2.11 | 0.90 | 0.75 | 0.26 | 0.89 |
| CHOLINE M+ | ME202515 | NA | NA | NA | NA | 0.73 | 0.43 | 1.22 | 0.96 | 1.88 | NA | NA | 1.86 | NA | NA | 1.61 | 0.67 | 0.85 | NA | 0.69 | 1.10 | 0.48 | 0.62 | 0.64 | 1.32 | 0.90 | 0.89 | 0.91 | 1.17 | 0.76 | 1.03 | 0.90 | 1.27 | 0.60 | 1.12 |
| 3-METHOXYTYROSINE (M+H)+ | ME202497 | NA | NA | NA | NA | NA | NA | NA | 0.51 | NA | 0.28 | NA | 1.17 | 1.10 | 1.10 | 0.53 | 0.65 | 1.09 | 1.07 | 0.83 | 0.98 | 0.82 | 0.89 | 0.65 | 0.89 | 1.05 | 1.17 | 1.06 | 0.78 | 1.32 | 1.35 | 1.00 | 0.98 | 1.09 | 0.86 |
| DECANOYLCARNITINE (*) (M+H)+ | ME202523 | NA | NA | NA | 0.46 | 0.46 | 0.69 | 0.91 | 0.34 | 1.91 | 1.68 | 1.10 | 1.41 | 1.07 | 0.43 | 1.45 | 0.77 | 0.44 | 0.69 | 2.04 | 3.00 | 0.79 | 0.69 | 0.74 | 1.21 | 0.69 | 0.75 | 0.86 | 1.34 | 0.57 | 0.81 | 1.00 | 1.22 | 1.00 | 0.99 |
| 2-DEOXY-D-GLUCOSE (M+NA)+ | ME202494 | NA | NA | NA | 0.73 | 1.03 | 1.11 | 0.87 | 1.74 | 1.22 | NA | NA | 0.94 | NA | NA | 0.71 | NA | 1.05 | NA | 0.30 | 1.26 | 0.87 | 0.75 | 0.77 | 1.08 | 0.19 | 0.72 | 0.92 | 0.96 | NA | NA | 1.23 | 1.14 | 0.53 | 1.82 |
| CYSTEIC ACID (M+H)+ | ME202521 | NA | NA | NA | 0.38 | 1.03 | 0.67 | 0.54 | 0.97 | NA | NA | NA | 1.98 | 1.29 | 1.79 | 2.04 | NA | 0.73 | 0.56 | 1.03 | 0.85 | 0.67 | 1.75 | 1.14 | 0.71 | 0.95 | 1.27 | 0.48 | 1.06 | 0.35 | 0.90 | 0.63 | 0.77 | 1.53 | 0.51 |
| 5-AMINOPENTANOIC ACID (M+H)+ | ME202503 | NA | NA | NA | 0.92 | 1.14 | 0.95 | 0.77 | 0.86 | 0.93 | NA | NA | 0.96 | 0.96 | NA | 1.02 | 0.98 | 0.91 | NA | 1.14 | 1.07 | 0.95 | 1.21 | 0.96 | 1.04 | 1.06 | 1.05 | 0.83 | 0.90 | 1.00 | 0.91 | 0.97 | 1.05 | 1.27 | 1.17 |
| CHOLINE PHOSPHATE (M+H)+ | ME202516 | NA | NA | NA | 1.19 | 0.90 | 0.60 | 0.40 | 1.26 | 0.85 | 0.83 | 0.43 | 1.34 | 1.33 | 0.84 | 1.38 | 0.63 | 1.15 | 0.47 | 2.33 | 1.84 | 0.76 | 0.67 | 1.39 | 0.77 | 1.12 | 0.84 | 0.66 | 1.01 | 0.73 | 0.66 | 1.04 | 0.93 | 1.43 | 0.97 |
| 16:0-18:0 PC (M+NA)+ | ME202492 | NA | NA | NA | 0.92 | NA | 1.30 | 1.15 | 1.04 | 0.80 | NA | NA | 1.14 | NA | NA | NA | NA | 0.82 | NA | NA | 1.06 | NA | 0.96 | 1.10 | 0.76 | 0.99 | 0.86 | 0.96 | 1.10 | NA | NA | 1.12 | 0.97 | 1.01 | NA |
| ACETAMINOPHEN (TN TYLENOL) (M+NA)+ | ME202505 | NA | NA | NA | NA | 0.08 | 0.00 | NA | 0.04 | NA | 0.04 | 0.04 | 0.01 | 0.02 | 0.00 | 3.76 | 0.05 | 0.01 | 0.09 | 0.03 | 0.02 | 0.03 | 0.01 | 3.59 | 0.07 | 4.44 | 0.24 | 1.46 | 0.02 | 0.06 | 0.29 | 1.90 | 0.78 | 0.08 | 1.23 |
| CREATININE (M+H)+ | ME202519 | NA | NA | NA | 3.15 | 3.54 | 0.61 | 0.65 | 0.73 | 0.04 | NA | 0.35 | 0.70 | 1.04 | 0.02 | 0.04 | 1.35 | 0.62 | 0.50 | 0.51 | 0.99 | 1.67 | 0.61 | 0.65 | 2.31 | 0.81 | 0.88 | 1.55 | 0.57 | 0.85 | 1.22 | 1.18 | 1.02 | 0.46 | 1.44 |
| CITRIC ACID (M+NA)+ | ME202517 | NA | NA | NA | 1.12 | 0.92 | 1.20 | 0.91 | 1.20 | 0.89 | 1.59 | 0.85 | 1.43 | 1.03 | 1.11 | 0.91 | 0.96 | 1.17 | 0.90 | 1.47 | 0.75 | 0.95 | 0.74 | 0.96 | 1.01 | 1.01 | 0.93 | 1.00 | 0.77 | 1.07 | 0.89 | 1.13 | 0.87 | 1.65 | 1.00 |
| 1-METHYLADENOSINE (M+H)+ | ME202487 | NA | NA | NA | 0.83 | 0.86 | 0.72 | 0.53 | 0.89 | 0.80 | 1.01 | 0.81 | 1.32 | 0.92 | 1.18 | 1.05 | 0.97 | 0.74 | 0.76 | 1.16 | 0.94 | 0.74 | 0.66 | 0.82 | 2.48 | 0.78 | 0.96 | 1.80 | 1.12 | 0.99 | 0.88 | 0.88 | 0.93 | 0.95 | 0.94 |
| CARNITINE (M+H)+ | ME202513 | NA | NA | NA | 0.03 | 0.64 | 0.06 | 1.08 | 0.92 | 0.26 | 0.11 | 0.01 | 0.21 | 0.66 | 0.52 | 0.35 | 1.30 | 1.34 | 1.08 | 0.34 | 0.51 | 1.77 | 1.45 | 0.45 | 0.55 | 2.05 | 1.44 | 1.33 | 0.38 | 1.33 | 0.94 | 1.16 | 1.13 | 0.82 | 0.48 |
| 18:0 LYSO-PE (M+H)+ | ME202493 | NA | NA | NA | NA | NA | 0.57 | NA | 0.68 | 0.76 | 0.88 | 1.07 | 1.01 | 1.07 | 0.80 | 0.94 | 0.78 | 0.87 | 0.92 | 1.26 | 0.91 | 0.92 | 0.82 | 1.31 | 1.06 | 1.20 | 0.97 | 1.05 | 0.94 | 0.78 | 0.86 | 1.12 | 1.02 | 0.63 | 1.00 |
| BIS(2-ETHYLHEXYL)PHTHALIC ACID (M+H)+ | ME202509 | NA | NA | NA | 0.66 | 0.80 | 0.84 | 0.56 | 1.17 | 0.97 | 1.23 | 1.35 | 0.93 | 1.18 | 1.22 | 1.02 | 1.13 | 0.96 | 1.06 | 1.29 | 0.85 | 1.08 | 1.00 | 0.89 | 0.98 | 0.98 | 0.96 | 0.92 | 1.04 | 1.07 | 0.96 | 0.91 | 1.13 | 0.88 | 0.97 |
| ACETAMINOPHEN (TN TYLENOL) (M+H)+ | ME202504 | NA | NA | NA | 0.00 | 0.28 | 0.00 | NA | 0.13 | NA | 0.26 | 0.50 | 0.00 | 0.00 | NA | 5.07 | 0.00 | 0.07 | 1.30 | 0.01 | 0.07 | 0.08 | 0.01 | 1.55 | 0.03 | 3.53 | 0.11 | 0.77 | 0.65 | 0.30 | 1.51 | 0.85 | 0.43 | 0.54 | 2.76 |
| 3-AMINOISOBUTYRIC ACID (M+H)+[-H2O] | ME202496 | NA | NA | NA | 0.29 | NA | 0.33 | NA | 0.32 | 0.45 | NA | NA | 0.82 | 0.84 | NA | 0.82 | NA | 0.29 | NA | 0.63 | NA | 0.31 | 0.25 | 0.61 | 2.13 | 0.30 | 0.35 | 2.16 | 0.49 | 5.69 | 6.21 | 0.52 | 0.45 | 0.29 | 0.49 |
| BUTYRYLCARNITINE (*) (M+H)+ | ME202511 | NA | NA | NA | 0.59 | 0.43 | 0.73 | 0.64 | 0.88 | 0.69 | 0.95 | 0.94 | 0.81 | 1.60 | 0.54 | 0.88 | 0.25 | 0.55 | 0.55 | 1.10 | 2.07 | 1.93 | 0.64 | 1.11 | 1.50 | 0.70 | 1.08 | 0.64 | 1.04 | 0.64 | 0.96 | 1.18 | 0.89 | 0.93 | 1.26 |
Factors:
| F1 | CT findings:Abnormal only | GOSE:4 | Gender:Male | Injury:1 month |
| F2 | CT findings:Abnormal only | GOSE:4 | Gender:Male | Injury:3 months |
| F3 | CT findings:Abnormal only | GOSE:5 | Gender:Female | Injury:1 month |
| F4 | CT findings:Abnormal only | GOSE:5 | Gender:Male | Injury:1 month |
| F5 | CT findings:Abnormal only | GOSE:5 | Gender:Male | Injury:3 months |
| F6 | CT findings:Abnormal only | GOSE:6 | Gender:Female | Injury:1 month |
| F7 | CT findings:Abnormal only | GOSE:6 | Gender:Female | Injury:3 months |
| F8 | CT findings:Abnormal only | GOSE:6 | Gender:Male | Injury:1 month |
| F9 | CT findings:Abnormal only | GOSE:6 | Gender:Male | Injury:3 months |
| F10 | CT findings:Abnormal only | GOSE:7 | Gender:Female | Injury:1 month |
| F11 | CT findings:Abnormal only | GOSE:7 | Gender:Female | Injury:3 months |
| F12 | CT findings:Abnormal only | GOSE:7 | Gender:Male | Injury:1 month |
| F13 | CT findings:Abnormal only | GOSE:7 | Gender:Male | Injury:3 months |
| F14 | CT findings:Abnormal only | GOSE:8 | Gender:Male | Injury:1 month |
| F15 | CT findings:Abnormal only | GOSE:8 | Gender:Male | Injury:3 months |
| F16 | CT findings:Normal | GOSE:4 | Gender:Male | Injury:3 months |
| F17 | CT findings:Normal | GOSE:5 | Gender:Female | Injury:1 month |
| F18 | CT findings:Normal | GOSE:5 | Gender:Female | Injury:3 months |
| F19 | CT findings:Normal | GOSE:5 | Gender:Male | Injury:1 month |
| F20 | CT findings:Normal | GOSE:5 | Gender:Male | Injury:3 months |
| F21 | CT findings:Normal | GOSE:6 | Gender:Female | Injury:1 month |
| F22 | CT findings:Normal | GOSE:6 | Gender:Female | Injury:3 months |
| F23 | CT findings:Normal | GOSE:6 | Gender:Male | Injury:1 month |
| F24 | CT findings:Normal | GOSE:6 | Gender:Male | Injury:3 months |
| F25 | CT findings:Normal | GOSE:7 | Gender:Female | Injury:1 month |
| F26 | CT findings:Normal | GOSE:7 | Gender:Female | Injury:3 months |
| F27 | CT findings:Normal | GOSE:7 | Gender:Male | Injury:1 month |
| F28 | CT findings:Normal | GOSE:7 | Gender:Male | Injury:3 months |
| F29 | CT findings:Normal | GOSE:8 | Gender:Female | Injury:1 month |
| F30 | CT findings:Normal | GOSE:8 | Gender:Female | Injury:3 months |
| F31 | CT findings:Normal | GOSE:8 | Gender:Male | Injury:1 month |
| F32 | CT findings:Normal | GOSE:8 | Gender:Male | Injury:3 months |
| F33 | CT findings:Normal | GOSE:NA | Gender:Female | Injury:1 month |
| F34 | CT findings:Normal | GOSE:NA | Gender:Male | Injury:1 month |
