Clustering data with hclust algorithm for TCA Isotopomers in Neuromyelitis Optica Patients (part - I) (Study ST001035)
GC POSITIVE ION MODE (Analysis AN001696)| 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 | F35 | F36 | F37 | F38 | F39 | F40 | F41 | F42 | F43 | F44 | F45 | F46 | F47 | F48 | F49 | F50 | F51 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| SUCCINATE M0 | ME250947 | 1.07 | 1.07 | NA | NA | 1.07 | NA | 1.07 | NA | NA | NA | NA | NA | NA | 1.07 | 1.07 | NA | NA | 1.07 | NA | NA | 1.07 | NA | NA | NA | NA | 1.07 | NA | NA | 1.07 | NA | NA | 1.03 | 1.07 | 0.89 | 1.07 | 1.02 | 0.93 | NA | 1.07 | 1.07 | NA | 0.59 | 1.02 | 1.05 | 0.79 | 1.07 | 1.07 | 0.93 | 1.03 | 0.98 | 1.07 |
| ASPARTATE M0 | ME250962 | 1.06 | NA | NA | NA | NA | NA | 0.98 | NA | NA | NA | NA | NA | NA | 0.94 | 1.06 | NA | 1.06 | 1.00 | NA | NA | 1.06 | 0.97 | 1.06 | NA | 1.02 | 0.88 | NA | 1.06 | 0.97 | NA | NA | 1.00 | 1.06 | 0.99 | 0.99 | 0.99 | 1.06 | 1.05 | 1.06 | 0.98 | 1.04 | 0.99 | 1.00 | 0.99 | 1.02 | 1.02 | 1.06 | 0.95 | 1.06 | 1.00 | 1.06 |
| CITRATE M0 | ME250922 | 1.14 | 1.14 | NA | NA | 1.14 | NA | 1.14 | NA | NA | NA | NA | NA | NA | 0.98 | 1.14 | NA | 0.92 | 0.96 | NA | NA | 1.14 | 0.97 | 1.14 | NA | 0.97 | 0.77 | NA | 1.14 | 1.14 | NA | NA | 1.00 | 1.12 | 1.03 | 1.02 | 1.00 | 1.14 | 1.14 | 1.12 | 1.03 | 1.14 | 1.04 | 1.05 | 0.99 | 1.14 | 1.14 | 1.12 | 0.98 | 1.14 | 0.76 | 1.13 |
| GLUTAMATE M0 | ME250935 | 1.02 | 1.03 | NA | NA | 1.03 | NA | 1.03 | NA | NA | 1.02 | 1.01 | 1.02 | 0.98 | 1.03 | 1.03 | NA | 1.03 | 1.02 | NA | NA | 1.03 | 1.03 | 1.03 | 1.01 | 1.03 | 1.03 | 1.03 | 1.03 | 1.03 | NA | NA | 0.98 | 1.03 | 0.93 | 0.93 | 0.96 | 0.99 | 1.02 | 1.03 | 0.94 | 1.01 | 0.99 | 0.97 | 1.00 | 1.03 | 0.98 | 1.03 | 0.88 | 0.99 | 1.03 | 1.03 |
| LACTATE M0 | ME250967 | 1.08 | 1.06 | NA | NA | 1.03 | NA | 1.09 | NA | NA | 1.10 | 1.10 | 1.11 | 1.11 | 0.99 | 1.11 | 0.99 | 0.97 | 1.00 | 1.10 | NA | 1.11 | 1.00 | 1.10 | 1.01 | 1.00 | 0.70 | 1.10 | 1.11 | 1.11 | 1.00 | 1.10 | 1.07 | 1.10 | 1.01 | 1.06 | 1.06 | 1.09 | 1.07 | 1.10 | 1.06 | 1.09 | 1.04 | 1.08 | 0.92 | 1.11 | 1.09 | 1.10 | 1.01 | 1.11 | 0.73 | 1.10 |
| MALATE M0 | ME250957 | NA | NA | NA | NA | 1.08 | NA | 1.08 | NA | NA | NA | NA | 1.07 | 1.07 | 0.97 | 1.06 | 1.01 | 1.07 | 0.89 | 1.05 | NA | 1.07 | 1.03 | 1.05 | 1.05 | 1.01 | 0.92 | 1.07 | 1.08 | 1.08 | 0.97 | 1.00 | 1.02 | 1.08 | 1.03 | 1.02 | 1.01 | 1.08 | 1.08 | 1.07 | 1.02 | 1.08 | 1.06 | 1.05 | 0.99 | 1.07 | 1.08 | 1.07 | 0.99 | 1.08 | 0.81 | 1.07 |
| α-KETOGLUTARATE M0 | ME250929 | NA | NA | NA | NA | NA | NA | 0.94 | NA | NA | NA | NA | NA | NA | 1.00 | 1.10 | 0.97 | 1.09 | 1.00 | 1.06 | NA | 1.10 | 1.10 | 1.10 | 1.00 | 1.10 | 0.96 | 1.07 | 1.10 | 1.10 | 0.90 | 1.04 | 1.00 | 1.09 | 1.02 | 1.03 | 0.98 | 1.10 | 1.09 | 1.10 | 1.04 | 1.08 | 1.04 | 1.07 | 1.03 | 1.10 | 1.08 | 1.09 | 0.95 | 1.10 | 0.76 | 1.10 |
| GLUTAMINE M0 | ME250941 | 1.08 | 1.08 | NA | NA | NA | NA | 1.09 | NA | NA | 1.08 | NA | NA | NA | 1.08 | 1.06 | 1.02 | 1.04 | 1.07 | 1.03 | NA | 1.08 | 1.04 | 1.05 | 1.08 | 1.04 | 1.03 | 1.08 | 1.09 | NA | 0.79 | 1.08 | 1.04 | 1.09 | 0.99 | 1.01 | 1.06 | 1.04 | 1.08 | 1.08 | 1.02 | 1.07 | 1.08 | 1.03 | 1.03 | 1.08 | 1.04 | 1.06 | 0.90 | 1.08 | 0.74 | 1.08 |
| ALANINE M0 | ME250971 | 1.06 | 1.06 | NA | NA | 1.03 | NA | 1.06 | NA | NA | NA | NA | NA | NA | 1.01 | 1.06 | 1.01 | 1.05 | 1.00 | 1.06 | NA | 1.06 | 1.04 | 1.04 | 1.02 | 1.05 | 0.89 | 1.06 | NA | 1.06 | 1.01 | 1.06 | 1.00 | 1.06 | 1.00 | 1.06 | 1.00 | 1.06 | 1.06 | 1.06 | 1.06 | 1.06 | 1.01 | 1.06 | 0.89 | 1.05 | 1.06 | 1.06 | 1.01 | 1.06 | 0.84 | 1.06 |
| FUMARATE M0 | ME250952 | 1.07 | 1.07 | NA | NA | 1.07 | NA | 0.97 | NA | NA | NA | NA | NA | NA | 1.07 | 1.07 | 0.87 | 1.07 | 1.07 | 0.92 | NA | 1.07 | 1.07 | 1.07 | 0.82 | 1.07 | 1.07 | 0.88 | 1.07 | 1.07 | 0.93 | 1.05 | 1.03 | 1.07 | 1.00 | 0.93 | 1.03 | 1.06 | 1.06 | 1.07 | 0.97 | 1.07 | 1.01 | 0.97 | 1.03 | 1.06 | 1.05 | 1.07 | 0.96 | 1.06 | 0.91 | 1.06 |
| α-KETOGLUTARATE M+1 | ME250930 | NA | NA | NA | NA | NA | NA | 3.50 | NA | NA | NA | NA | NA | NA | 0.90 | 0.02 | 0.60 | 0.55 | 1.07 | NA | NA | NA | 0.02 | NA | 0.36 | NA | 0.89 | NA | NA | NA | 1.29 | NA | 0.79 | 0.22 | 0.52 | 0.68 | 1.25 | NA | 0.11 | NA | 0.96 | 0.33 | 0.32 | 0.57 | 0.48 | NA | 0.34 | 0.14 | 1.31 | NA | 2.18 | 0.30 |
| LACTATE M+3 | ME250970 | 0.11 | 0.30 | NA | NA | 0.40 | NA | 0.06 | NA | NA | 0.03 | 0.04 | 0.01 | 0.02 | 0.94 | NA | 0.90 | 1.12 | 0.88 | NA | NA | NA | 0.91 | 0.02 | 0.73 | 0.89 | 2.46 | NA | 0.01 | NA | 0.84 | NA | 0.26 | NA | 0.76 | 0.36 | 0.33 | NA | 0.30 | NA | 0.38 | 0.05 | 0.53 | 0.25 | 1.44 | NA | 0.08 | NA | 0.74 | 0.00 | 3.10 | 0.00 |
| GLUTAMINE M+1 | ME250942 | 0.06 | NA | NA | NA | NA | NA | NA | NA | NA | 0.12 | NA | NA | NA | NA | 0.58 | 1.34 | 0.78 | 0.37 | 1.28 | NA | 0.22 | 0.72 | 0.65 | 0.03 | 1.30 | 1.06 | 0.06 | NA | NA | 2.04 | NA | 0.56 | NA | 1.82 | 0.59 | 0.36 | 0.99 | NA | NA | 0.56 | 0.35 | 0.04 | 1.07 | 0.95 | NA | 0.98 | 0.60 | 1.68 | 0.10 | 2.17 | 0.20 |
| GLUTAMINE M+2 | ME250943 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | 0.07 | NA | 0.32 | 0.32 | 0.19 | 0.20 | NA | NA | 0.26 | 0.13 | NA | 0.27 | 0.21 | NA | 0.61 | NA | 2.56 | NA | 0.36 | NA | 0.47 | 0.65 | 0.37 | 0.15 | NA | NA | 0.57 | 0.05 | 0.02 | 0.32 | 0.29 | NA | 0.21 | 0.09 | 1.51 | 0.01 | 3.22 | 0.20 |
Factors:
| F1 | Time:0h | condition:BGP 50uMGt Gn | matrix:Fresh Media | Tracer:Unlabelled |
| F2 | Time:0h | condition:BGPGt 0.5mM Gn | matrix:Fresh Media | Tracer:Unlabelled |
| F3 | Time:0h | condition:BGPGt 0.5 mM Gn | matrix:Fresh med | Tracer:Unlabelled |
| F4 | Time:0h | condition:BGPGt 50 mM Gn | matrix:Fresh med | Tracer:Unlabelled |
| F5 | Time:0h | condition:BGPGt 5mM Gn | matrix:Fresh Media | Tracer:Unlabelled |
| F6 | Time:0h | condition:BGPGt 5 mM Gn | matrix:Fresh med | Tracer:Unlabelled |
| F7 | Time:0h | condition:E Med | matrix:Fresh Media | Tracer:13C6 |
| F8 | Time:0h | condition:E Med | matrix:Fresh med | Tracer:13C6 |
| F9 | Time:0h | condition:E Med | matrix:Fresh med | Tracer:Unlabelled |
| F10 | Time:0 hr | condition:BGPGt - 0.5mM Gn | matrix:Fresh med | Tracer:Unlabelled |
| F11 | Time:0 hr | condition:BGPGt | matrix:Fresh med | Tracer:Unlabelled |
| F12 | Time:0 hr | condition:E Med | matrix:Fresh med | Tracer:13C6 |
| F13 | Time:0 hr | condition:E Med | matrix:Fresh med | Tracer:Unlabelled |
| F14 | Time:1h nonCO2 | condition:BGP50uMGt Gn | matrix:Spent Sup | Tracer:13C6 |
| F15 | Time:1h nonCO2 | condition:BGP 50uMGt Gn | matrix:Spent Sup | Tracer:Unlabelled |
| F16 | Time:1h nonCO2 | condition:BGPGt - 0.5mM Gn | matrix:Spent Sup | Tracer:13C6 |
| F17 | Time:1h nonCO2 | condition:BGPGt 0.5 mM Gn | matrix:Spent Sup | Tracer:13C6 |
| F18 | Time:1h nonCO2 | condition:BGPGt 0.5mM Gn | matrix:Spent Sup | Tracer:13C6 |
| F19 | Time:1h nonCO2 | condition:BGPGt - 0.5mM Gn | matrix:Spent Sup | Tracer:Unlabelled |
| F20 | Time:1h nonCO2 | condition:BGPGt 0.5 mM Gn | matrix:Spent Sup | Tracer:Unlabelled |
| F21 | Time:1h nonCO2 | condition:BGPGt 0.5mM Gn | matrix:Spent Sup | Tracer:Unlabelled |
| F22 | Time:1h nonCO2 | condition:BGPGt 50 mM Gn | matrix:Spent Sup | Tracer:13C6 |
| F23 | Time:1h nonCO2 | condition:BGPGt 50 mM Gn | matrix:Spent Sup | Tracer:Unlabelled |
| F24 | Time:1h nonCO2 | condition:BGPGt - 5mM Gn | matrix:Spent Sup | Tracer:13C6 |
| F25 | Time:1h nonCO2 | condition:BGPGt 5 mM Gn | matrix:Spent Sup | Tracer:13C6 |
| F26 | Time:1h nonCO2 | condition:BGPGt 5mM Gn | matrix:Spent Sup | Tracer:13C6 |
| F27 | Time:1h nonCO2 | condition:BGPGt - 5mM Gn | matrix:Spent Sup | Tracer:Unlabelled |
| F28 | Time:1h nonCO2 | condition:BGPGt 5 mM Gn | matrix:Spent Sup | Tracer:Unlabelled |
| F29 | Time:1h nonCO2 | condition:BGPGt 5mM Gn | matrix:Spent Sup | Tracer:Unlabelled |
| F30 | Time:1h nonCO2 | condition:BGPGt | matrix:Spent Sup | Tracer:13C6 |
| F31 | Time:1h nonCO2 | condition:BGPGt | matrix:Spent Sup | Tracer:Unlabelled |
| F32 | Time:23h +1h nonCO2 | condition:BGP50uMGt Gn | matrix:pellet | Tracer:13C6 |
| F33 | Time:23h +1h nonCO2 | condition:BGP 50uMGt Gn | matrix:pellet | Tracer:Unlabelled |
| F34 | Time:23h + 1h nonCO2 | condition:BGPGt - 0.5mM Gn | matrix:pellet | Tracer:13C6 |
| F35 | Time:23h + 1h nonCO2 | condition:BGPGt 0.5 mM Gn | matrix:pellet | Tracer:13C6 |
| F36 | Time:23h +1h nonCO2 | condition:BGPGt 0.5mM Gn | matrix:pellet | Tracer:13C6 |
| F37 | Time:23h + 1h nonCO2 | condition:BGPGt - 0.5mM Gn | matrix:pellet | Tracer:Unlabelled |
| F38 | Time:23h + 1h nonCO2 | condition:BGPGt 0.5 mM Gn | matrix:pellet | Tracer:Unlabelled |
| F39 | Time:23h +1h nonCO2 | condition:BGPGt 0.5mM Gn | matrix:pellet | Tracer:Unlabelled |
| F40 | Time:23h + 1h nonCO2 | condition:BGPGt 50 mM Gn | matrix:pellet | Tracer:13C6 |
| F41 | Time:23h + 1h nonCO2 | condition:BGPGt 50 mM Gn | matrix:pellet | Tracer:Unlabelled |
| F42 | Time:23h + 1h nonCO2 | condition:BGPGt - 5mM Gn | matrix:pellet | Tracer:13C6 |
| F43 | Time:23h + 1h nonCO2 | condition:BGPGt 5 mM Gn | matrix:pellet | Tracer:13C6 |
| F44 | Time:23h +1h nonCO2 | condition:BGPGt 5mM Gn | matrix:pellet | Tracer:13C6 |
| F45 | Time:23h + 1h nonCO2 | condition:BGPGt - 5mM Gn | matrix:pellet | Tracer:Unlabelled |
| F46 | Time:23h + 1h nonCO2 | condition:BGPGt 5 mM Gn | matrix:pellet | Tracer:Unlabelled |
| F47 | Time:23h +1h nonCO2 | condition:BGPGt 5mM Gn | matrix:pellet | Tracer:Unlabelled |
| F48 | Time:23h + 1h nonCO2 | condition:BGPGt | matrix:pellet | Tracer:13C6 |
| F49 | Time:23h + 1h nonCO2 | condition:BGPGt | matrix:pellet | Tracer:Unlabelled |
| F50 | Time:23h | condition:E Med | matrix:Spent Sup | Tracer:13C6 |
| F51 | Time:23h | condition:E Med | matrix:Spent Sup | Tracer:Unlabelled |
