Clustering data with hclust algorithm for Untargeted metabolomics and lipidomics of scleroderma PAH discovery cohort (Study ST000763)
Reversed phase NEGATIVE ION MODE (Analysis AN001201)Metabolite | Structure | F1 | F2 | F3 | F4 | F5 | F6 | F7 | F8 | F9 | F10 | F11 | F12 | F13 | F14 | F15 | F16 | F17 | F18 | F19 | F20 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
P-ACETAMIDOPHENYL BETA-D-GLUCURONIDE (2M-H)- | ME211630 | 1.48 | 0.75 | 0.41 | 0.04 | 0.71 | 0.26 | 7.11 | NA | 0.01 | NA | 1.44 | 0.41 | 0.01 | NA | 1.78 | 0.24 | NA | NA | 0.01 | NA |
RAFFINOSE (M+CL)- | ME211641 | 1.03 | 0.67 | 0.95 | 0.85 | 1.01 | 1.45 | 1.21 | 0.67 | 1.03 | 0.89 | 1.22 | 1.16 | 0.91 | 0.94 | 1.00 | 1.01 | 0.97 | 1.01 | 0.92 | 0.96 |
SUCCINIC ACID (M-H)- | ME211649 | 0.69 | 1.25 | 0.76 | 0.77 | 0.98 | 0.93 | 0.59 | 0.53 | 0.76 | 0.62 | 1.11 | 0.89 | 1.20 | 0.83 | 1.38 | 1.20 | 1.55 | 0.66 | 1.25 | 0.86 |
N-ACETYLNEURAMINIC ACID (M-H)- | ME211620 | 0.92 | 0.98 | 0.94 | 0.80 | 1.03 | 1.46 | 1.01 | 1.83 | 1.15 | 1.00 | 1.12 | 0.76 | 0.92 | 0.98 | 1.09 | 1.59 | 0.79 | 1.16 | 0.99 | 0.84 |
ZEATIN [ISTD] (M-H)- | ME211668 | 1.03 | 0.92 | 1.00 | 1.04 | 0.97 | 1.17 | 0.91 | 0.85 | 1.01 | 0.98 | 1.02 | 1.06 | 1.03 | 0.98 | 0.95 | 1.13 | 1.05 | 0.96 | 0.99 | 0.86 |
THEOPHYLLINE (M-H)- | ME211652 | 0.96 | 1.14 | 1.03 | 0.52 | 1.34 | 0.80 | 0.82 | 0.03 | 1.08 | 0.70 | 0.87 | 0.65 | 0.98 | 1.72 | 1.08 | 0.81 | 0.74 | 0.04 | 0.99 | 1.08 |
OXALOACETIC ACID (M-H)-[-H2O] | ME211629 | 1.00 | 1.16 | 1.03 | 0.92 | 0.95 | 0.95 | 0.93 | 1.23 | 1.04 | 0.98 | 0.98 | 1.06 | 0.99 | 1.17 | 1.03 | 0.47 | 1.07 | 1.25 | 0.93 | 1.12 |
N-ETHYLMALEIMIDE (M-H)- | ME211621 | 1.01 | 1.01 | 1.06 | 0.68 | 1.11 | 0.37 | 0.93 | 0.93 | 1.17 | 0.56 | 0.95 | 1.00 | 0.97 | 1.59 | 0.95 | 0.38 | 0.74 | 0.91 | 1.18 | 0.70 |
2-HYDROXY-3-METHYLBUTYRIC ACID (M-H)- | ME211538 | 0.59 | 5.00 | 0.93 | 2.33 | 0.88 | 1.22 | 0.75 | 1.03 | 0.97 | 1.62 | 0.64 | 0.50 | 0.84 | 0.81 | 0.89 | 1.28 | 0.61 | 0.95 | 0.98 | 5.95 |
GLYCOLITHOCHOLIC ACID (M-H)- | ME211588 | 0.98 | NA | 1.20 | 0.93 | 1.26 | 0.16 | 0.74 | NA | 0.82 | 1.25 | 0.99 | 1.21 | 1.00 | 0.53 | 1.00 | 0.55 | 0.51 | NA | 0.77 | 0.71 |
VALINE (M-H)- | ME211665 | 1.13 | 1.06 | 0.87 | 1.53 | 1.07 | 0.82 | 1.17 | 0.47 | 1.17 | 2.10 | 0.90 | 0.84 | 0.98 | 1.44 | 0.82 | 0.83 | 1.21 | 1.48 | 0.80 | 0.33 |
N-ACETYL-DL-METHIONINE (M-H)- | ME211616 | 0.87 | 0.72 | 0.97 | 0.78 | 1.06 | 0.91 | 1.53 | NA | 1.04 | NA | 0.93 | 0.90 | 0.95 | 0.81 | 1.12 | 1.08 | 0.88 | NA | 1.00 | NA |
4-NITROPHENOL (M-H)- | ME211546 | 0.99 | 0.99 | 0.96 | 0.85 | 0.95 | 1.29 | 1.12 | 1.24 | 1.03 | 1.11 | 1.07 | 1.09 | 0.99 | 0.81 | 0.96 | 1.21 | 1.00 | 0.70 | 1.10 | 0.80 |
THYMIDINE (M+CL)- | ME211653 | 0.83 | 1.27 | 0.80 | 0.85 | 0.91 | 0.80 | 1.31 | NA | 0.88 | 0.92 | 1.16 | 1.13 | 0.92 | 1.11 | 1.21 | 0.99 | 1.10 | NA | 1.23 | 0.82 |
BENZOIC ACID (M-H)- | ME211559 | 0.94 | 0.90 | 1.16 | 0.89 | 1.10 | 0.89 | 1.24 | 0.68 | 0.99 | 1.15 | 0.88 | 0.91 | 1.02 | 0.75 | 0.94 | 0.74 | 0.93 | 0.76 | 0.87 | 0.94 |
THYROXINE (M-H)- | ME211654 | 1.09 | 0.96 | 0.96 | 0.91 | 1.03 | 0.78 | 1.01 | 1.00 | 0.98 | 0.85 | 1.08 | 1.15 | 0.96 | 0.94 | 1.01 | 0.79 | 0.99 | 1.07 | 1.07 | 0.86 |
XANTHINE (M-H)- | ME211666 | 0.98 | 2.20 | 0.92 | 0.84 | 1.02 | 0.75 | 1.01 | 0.61 | 0.86 | 0.80 | 1.15 | 0.82 | 0.92 | 0.84 | 1.22 | 0.77 | 1.12 | 0.77 | 1.01 | 1.31 |
DUMP (M-H)- | ME211578 | 0.64 | 1.51 | 0.77 | 0.71 | 1.00 | 0.82 | 0.58 | 0.37 | 0.66 | 0.67 | 1.21 | 0.99 | 1.24 | 0.87 | 1.33 | 1.20 | 1.34 | 0.81 | 1.16 | 0.75 |
SUBERIC ACID (M-H)- | ME211648 | 0.94 | 1.10 | 0.75 | 0.75 | 1.08 | 1.09 | 1.15 | 0.45 | 1.10 | 0.69 | 0.95 | 1.64 | 0.89 | 0.93 | 1.17 | 0.75 | 1.20 | 0.50 | 1.30 | 1.17 |
PHTHALIC ACID (M-H)- | ME211637 | 0.75 | 0.38 | 1.04 | NA | 1.18 | NA | 0.56 | 1.30 | 0.84 | NA | 0.57 | 0.25 | 1.04 | NA | 1.46 | NA | 0.38 | NA | 1.65 | 1.14 |
URIC ACID (M-H)- | ME211662 | 0.84 | 0.58 | 0.79 | 0.54 | 0.79 | 0.79 | 0.87 | 0.60 | 0.78 | 0.52 | 1.28 | 0.81 | 1.38 | 1.56 | 1.22 | 0.76 | 1.12 | 1.15 | 1.00 | 0.91 |
TRYPTOPHAN (M-H)- | ME211660 | 0.84 | 0.95 | 1.19 | 1.07 | 1.11 | 1.18 | 0.76 | 0.71 | 0.88 | 1.35 | 0.79 | 1.08 | 1.11 | 0.96 | 1.09 | 1.17 | 0.79 | 0.73 | 0.88 | 0.77 |
OMEPRAZOLE (M-H)- | ME211626 | 0.59 | 0.73 | 0.63 | NA | 1.08 | 1.55 | 0.84 | 1.90 | 1.78 | 0.65 | 0.51 | 0.85 | 1.01 | 0.70 | 1.26 | 1.30 | 0.40 | 2.11 | 1.29 | 0.74 |
IBUPROFEN (M-H)- | ME211593 | 0.19 | 0.04 | 2.81 | 0.05 | 0.03 | 0.04 | 0.53 | NA | 0.08 | 0.03 | 0.24 | NA | 2.15 | NA | 0.05 | 0.03 | 0.45 | NA | 0.92 | 0.02 |
N-ACETYL-D-GLUCOSAMINE (M+CL)- | ME211614 | 1.18 | NA | 0.77 | NA | 0.44 | 0.45 | 3.30 | 2.16 | 0.81 | NA | 1.34 | NA | 0.54 | NA | 0.96 | 1.86 | 0.71 | 1.87 | 0.65 | NA |
DEOXYURIDINE (M+CL)- | ME211576 | 0.77 | 0.84 | 0.98 | 1.11 | 0.74 | 2.17 | 1.72 | 1.75 | 1.24 | 0.99 | 0.66 | 0.88 | 0.83 | 0.92 | 0.82 | 2.43 | 1.36 | 1.63 | 1.17 | 0.86 |
ZEATIN [ISTD] (M+CL)- | ME211667 | 1.03 | 0.89 | 1.03 | 1.03 | 0.97 | 1.06 | 1.03 | 0.97 | 1.00 | 1.00 | 1.02 | 1.02 | 0.99 | 0.98 | 0.98 | 1.04 | 0.98 | 0.97 | 0.97 | 0.91 |
OXALIC ACID (M-H)- | ME211628 | 1.01 | 0.89 | 1.02 | 0.94 | 0.95 | 1.30 | 0.90 | 0.85 | 1.09 | 1.11 | 1.10 | 1.00 | 0.98 | 1.21 | 0.99 | 1.33 | 0.89 | 0.51 | 0.91 | 1.01 |
CITRIC ACID (M-H)- | ME211566 | 0.96 | 0.97 | 1.05 | 1.04 | 1.00 | 0.74 | 0.91 | 0.88 | 0.97 | 1.23 | 0.96 | 0.90 | 1.03 | 1.00 | 1.04 | 0.84 | 0.99 | 0.80 | 1.02 | 1.01 |
GLUTAMINE (M-H)- | ME211583 | 1.00 | 0.66 | 1.01 | 0.73 | 0.90 | 0.95 | 0.82 | 2.08 | 0.99 | 0.67 | 1.09 | 0.58 | 1.02 | 0.93 | 1.03 | 0.74 | 1.15 | 3.40 | 1.03 | 1.12 |
3-METHOXYTYROSINE (M-H)- | ME211543 | 3.79 | NA | 0.37 | NA | 0.32 | NA | 0.36 | 0.49 | 0.34 | NA | 4.84 | NA | 0.37 | NA | 0.50 | NA | 0.33 | 0.37 | 0.38 | NA |
CORTISONE (M+CL)- | ME211569 | 0.83 | 0.99 | 1.05 | 1.59 | 1.09 | 0.55 | 0.66 | 0.80 | 0.87 | 1.13 | 0.89 | 0.96 | 1.11 | 1.27 | 1.11 | 0.53 | 0.84 | 0.69 | 1.04 | 0.96 |
N-ACETYL-D-TRYPTOPHAN (M-H)- | ME211615 | 1.00 | 1.47 | 1.04 | 1.02 | 1.07 | 0.68 | 1.12 | NA | 0.81 | 1.29 | 0.90 | 0.69 | 1.05 | 1.14 | 1.03 | 0.67 | 0.75 | NA | 0.85 | 1.32 |
AZELAIC ACID (M-H)- | ME211557 | 0.96 | 1.13 | 1.05 | 1.23 | 1.06 | 1.09 | 1.04 | 0.96 | 0.91 | 0.96 | 0.90 | 1.07 | 0.99 | 1.11 | 1.03 | 1.08 | 1.03 | 0.91 | 0.93 | 0.83 |
BILIVERDIN (M-H)- | ME211560 | 0.96 | 1.09 | 1.03 | 1.60 | 1.01 | 0.50 | 0.91 | 0.55 | 1.09 | NA | 0.97 | 1.08 | 1.02 | 1.70 | 1.09 | 0.49 | 0.86 | 0.74 | 1.01 | NA |
LIGNOCERIC ACID (M-H)- | ME211604 | 1.00 | 0.57 | 1.02 | 0.72 | 1.11 | 2.76 | 0.77 | 0.95 | 0.76 | 1.12 | 0.77 | 1.98 | 1.05 | 1.14 | 0.98 | 2.27 | 0.91 | 0.97 | 0.70 | 1.56 |
PALMITIC ACID (M-H)- | ME211632 | 1.82 | 1.77 | 0.59 | 0.71 | 1.08 | 0.53 | 1.28 | 1.40 | 1.44 | 1.40 | 1.07 | 1.41 | 0.55 | 0.86 | 0.73 | 0.35 | 0.73 | 1.42 | 1.45 | 1.09 |
DEOXYCHOLIC ACID (M-H)- | ME211575 | 1.26 | 0.64 | 1.02 | 0.74 | 1.19 | 0.26 | 1.16 | 7.87 | 0.60 | 0.91 | 1.16 | 1.32 | 0.88 | 0.67 | 0.88 | 0.23 | 0.70 | 7.24 | 0.72 | 0.55 |
GLUTARIC ACID (M-H)- | ME211584 | 0.79 | NA | 1.73 | 1.36 | 1.33 | 0.16 | 1.00 | 3.90 | 1.56 | 0.23 | 0.52 | NA | 0.49 | 0.11 | 0.90 | 0.53 | 0.41 | 0.52 | 1.14 | 0.45 |
NAPROXEN (M-H)- | ME211622 | 1.89 | 0.55 | 0.99 | 1.96 | 0.48 | 0.40 | 1.45 | NA | NA | NA | 1.59 | NA | 0.72 | 1.03 | 0.42 | 0.39 | 1.51 | NA | NA | 0.57 |
IBUPROFEN CARBOXYLIC ACID (M-H)- | ME211595 | 0.16 | 0.01 | 2.30 | 0.03 | 0.02 | 0.01 | 0.34 | NA | 0.22 | 0.02 | 0.08 | NA | 3.00 | 0.01 | 0.03 | 0.01 | 0.29 | 0.03 | 2.03 | 0.02 |
L-HISTIDINE (M-H)- | ME211600 | 1.03 | 1.01 | 1.12 | 0.61 | 0.93 | 0.79 | 0.79 | 1.60 | 0.91 | 1.09 | 1.00 | 0.71 | 1.06 | 0.92 | 1.12 | 0.71 | 1.02 | 2.00 | 0.81 | 1.10 |
TRIDECANOIC ACID (M-H)- | ME211658 | 0.99 | 0.82 | 1.03 | 1.36 | 1.14 | 1.23 | 0.74 | 1.30 | 0.91 | 0.74 | 0.82 | 0.78 | 1.11 | 1.67 | 1.01 | 1.00 | 1.13 | 1.30 | 0.89 | 0.67 |
GLYCOCHOLIC ACID (2M-H)- | ME211586 | 0.82 | 0.30 | 1.65 | 0.15 | 0.98 | 0.40 | NA | NA | 0.60 | 0.18 | 0.89 | 0.83 | 1.79 | 0.59 | 0.23 | 0.53 | 0.44 | NA | 0.20 | 0.81 |
CHOLIC ACID (M-H)- | ME211563 | 2.32 | 0.40 | 0.73 | 0.34 | 1.93 | 0.28 | 0.91 | 9.98 | 0.25 | 0.11 | 1.41 | 3.62 | 0.67 | 0.57 | 0.55 | 0.32 | 0.10 | 9.33 | 0.16 | 0.17 |
CHOLIC ACID (M+CL)- | ME211562 | 1.58 | 0.20 | 0.60 | 0.23 | 3.47 | 0.14 | 1.71 | 4.21 | 0.24 | 0.04 | 0.88 | 1.71 | 0.61 | 0.34 | 1.28 | 0.19 | NA | 3.82 | 0.13 | 0.04 |
CITRAMALIC ACID (M-H)- | ME211565 | 0.76 | 0.58 | 0.99 | 1.00 | 1.00 | 0.95 | 0.65 | 0.31 | 0.78 | 1.90 | 0.88 | 0.78 | 1.30 | 0.86 | 1.10 | 0.83 | 0.97 | 1.56 | 1.17 | 0.93 |
DEOXYCHOLIC ACID (M+CL)- | ME211574 | 1.25 | 0.67 | 0.99 | 0.70 | 1.19 | 0.39 | 1.03 | 11.45 | 0.61 | 0.80 | 1.07 | 1.26 | 0.84 | 0.64 | 0.74 | 0.32 | 0.57 | 8.75 | 0.76 | 0.63 |
HYODEOXYCHOLIC ACID (M-H)- | ME211592 | 0.57 | 0.15 | 0.32 | 0.42 | 0.53 | 0.76 | 0.38 | 0.14 | 0.66 | 0.31 | 0.41 | 0.30 | 0.26 | 30.97 | 0.52 | 0.31 | 0.35 | 0.25 | 0.43 | 0.42 |
PANTOTHENIC ACID (M+CL)- | ME211634 | 1.95 | 1.09 | 0.50 | 0.28 | 1.14 | 1.58 | 0.64 | NA | 1.75 | NA | 1.13 | 0.95 | 0.55 | 0.13 | 1.67 | 1.16 | 1.07 | NA | 1.04 | NA |
2-DEOXY-D-GLUCOSE (M+CL)- | ME211537 | 1.11 | 1.55 | 1.23 | 1.16 | 0.88 | 0.91 | 0.92 | 0.57 | 1.46 | 1.04 | 1.11 | 1.38 | 0.74 | 0.65 | 0.77 | 0.64 | 0.83 | 0.74 | 0.91 | 0.80 |
TRYPTOPHAN (2M-H)- | ME211659 | 0.79 | 0.90 | 1.26 | 1.12 | 1.13 | 1.26 | 0.65 | 0.53 | 0.85 | 1.56 | 0.71 | 1.08 | 1.15 | 0.93 | 1.13 | 1.22 | 0.71 | 0.60 | 0.84 | 0.64 |
CORTISOL (M+CL)- | ME211568 | 0.92 | 0.82 | 1.07 | 1.32 | 1.06 | 1.04 | 0.60 | 0.81 | 0.92 | 1.17 | 1.02 | 0.94 | 1.00 | 1.11 | 0.99 | 0.83 | 0.82 | 0.73 | 1.16 | 1.13 |
P-ACETAMIDOPHENYL BETA-D-GLUCURONIDE (M-H)- | ME211631 | 1.53 | 1.81 | 0.56 | 0.17 | 0.88 | 0.61 | 1.24 | NA | 0.31 | NA | 2.16 | 1.19 | 0.13 | 0.00 | 1.76 | 0.62 | 0.03 | NA | 0.54 | NA |
1-METHYLXANTHINE (M-H)- | ME211534 | 0.78 | 0.35 | 1.13 | 0.50 | 1.17 | 0.81 | 0.68 | NA | 0.90 | 1.56 | 0.87 | 0.05 | 1.14 | 1.09 | 1.23 | 0.89 | 0.45 | 0.01 | 1.39 | 0.70 |
HIPPURIC ACID (M-H)- | ME211591 | 0.84 | 0.58 | 1.30 | 0.55 | 1.10 | 0.17 | 0.55 | 1.67 | 0.93 | 1.43 | 0.96 | 0.74 | 1.05 | 1.32 | 0.96 | 0.20 | 0.64 | 1.66 | 1.05 | 1.33 |
5-OXOPROLINE (M-H)- | ME211550 | 1.11 | 1.02 | 1.03 | 1.02 | 1.07 | 0.96 | 1.32 | NA | 1.30 | 0.90 | 1.02 | 0.80 | 0.79 | 0.79 | 1.09 | 0.93 | 0.88 | NA | 0.91 | 0.87 |
CHOLIC ACID (2M-H)- | ME211561 | 2.55 | NA | 0.48 | 0.02 | 1.54 | NA | 0.57 | 3.31 | NA | NA | 0.57 | 1.33 | 0.43 | 0.07 | NA | 0.02 | NA | 2.74 | NA | NA |
DEHYDROASCORBIC ACID (M-H)- | ME211571 | 0.95 | 1.06 | 0.95 | 0.70 | 1.06 | 0.77 | 1.11 | 0.96 | 1.01 | 1.12 | 1.04 | 0.93 | 0.93 | 0.93 | 1.08 | 0.80 | 1.09 | 1.07 | 1.04 | 1.33 |
LYSINE (M-H)- | ME211606 | 0.99 | 1.12 | 1.15 | 1.26 | 1.06 | 0.83 | 0.99 | 1.12 | 0.85 | 1.20 | 0.84 | 0.88 | 1.06 | 1.05 | 1.00 | 0.90 | 0.92 | 1.06 | 0.84 | 0.88 |
STEARIC ACID (M-H)- | ME211647 | 1.48 | 3.05 | 0.74 | 0.80 | 0.92 | 0.55 | 1.79 | 1.12 | 1.47 | 0.91 | 0.87 | 2.00 | 0.61 | 0.69 | 0.62 | 0.50 | 0.78 | 1.40 | 1.38 | 1.01 |
ADIPIC ACID (M-H)- | ME211553 | 1.09 | 0.95 | 0.85 | 0.82 | 0.86 | 0.49 | 1.28 | 1.21 | 1.17 | 0.78 | 1.13 | 1.27 | 0.84 | 0.99 | 1.01 | 0.67 | 1.20 | 1.06 | 1.30 | 0.71 |
3-(4-HYDROXYPHENYL)LACTIC ACID (2M-H)- | ME211540 | 1.08 | 0.85 | 1.03 | 1.16 | 1.10 | 1.06 | 0.80 | NA | 1.18 | 1.31 | 0.86 | 1.10 | 0.87 | 1.51 | 0.75 | 1.34 | 1.09 | NA | 1.04 | 0.79 |
ARACHIDONIC ACID (M-H)- | ME211556 | 1.47 | 2.83 | 0.72 | 0.60 | 0.89 | 0.60 | 1.82 | 1.30 | 1.48 | 0.99 | 0.94 | 1.80 | 0.64 | 0.81 | 0.68 | 0.55 | 0.82 | 1.39 | 1.29 | 0.85 |
GUANOSINE 5^-PHOSPHATE (2M-H)+ | ME211589 | 1.11 | 0.99 | 0.97 | 0.89 | 1.03 | 1.30 | 1.03 | 1.69 | 1.22 | 1.08 | 0.88 | 1.01 | 0.96 | 0.99 | 0.92 | 0.78 | 0.88 | 0.48 | 1.08 | 0.96 |
N-ACETYLGLYCINE (M-H)- | ME211619 | 1.90 | 0.39 | 0.57 | 0.48 | 0.49 | 0.59 | 1.16 | 3.28 | 1.38 | NA | 0.83 | 0.33 | 0.56 | 0.74 | 0.68 | 0.88 | 1.51 | 11.72 | 1.01 | NA |
1-METHYLADENOSINE (M+CL)- | ME211531 | 1.08 | 0.80 | 0.97 | 0.87 | 0.96 | 1.24 | 1.27 | 1.32 | 1.21 | 1.21 | 1.04 | 0.70 | 0.83 | 0.76 | 1.05 | 1.41 | 1.06 | 0.96 | 0.91 | 0.96 |
ACETAMINOPHEN (TN TYLENOL) (M-H)- | ME211551 | 1.96 | 0.25 | 0.67 | 0.36 | 1.53 | 1.40 | 1.37 | NA | 0.16 | NA | 1.43 | 0.22 | 0.17 | NA | 1.56 | 1.16 | 0.14 | NA | 0.15 | NA |
5-HYDROXY OMEPRAZOLE (M-H)- | ME211548 | 0.49 | 0.90 | 1.02 | 0.00 | 0.94 | 1.10 | 1.72 | 0.95 | 1.50 | 0.37 | 0.63 | 1.26 | 0.75 | 1.12 | 1.25 | 1.15 | 1.54 | 0.94 | 1.23 | 0.28 |
PHENYLALANINE (M-H)- | ME211636 | 1.04 | 0.92 | 1.04 | 0.96 | 1.11 | 1.12 | 0.94 | 0.91 | 0.92 | 1.18 | 0.97 | 1.05 | 0.96 | 0.89 | 1.09 | 1.16 | 0.93 | 0.91 | 0.89 | 0.95 |
OMEGA-HYDROXYDODECANOIC ACID (M-H)- | ME211625 | 0.83 | 3.42 | 0.80 | 0.97 | 0.68 | NA | 0.91 | NA | 1.05 | 0.58 | 1.24 | 1.51 | 0.81 | 0.75 | 0.85 | NA | 0.76 | NA | NA | 3.25 |
3-(4-HYDROXYPHENYL)LACTIC ACID (M-H)- | ME211541 | 0.92 | 0.96 | 0.91 | 0.49 | 1.25 | 0.88 | 0.95 | 1.63 | 1.08 | 1.10 | 0.78 | 0.48 | 1.05 | 1.49 | 0.96 | 1.13 | 0.83 | 1.94 | 1.09 | 1.58 |
LAURIC ACID (M-H)- | ME211603 | 1.15 | 1.95 | 0.84 | 1.19 | 1.10 | 0.47 | 0.88 | 0.84 | 1.32 | 0.90 | 0.87 | 0.66 | 0.82 | 0.80 | 0.85 | 0.38 | 0.64 | 0.94 | 1.49 | 2.37 |
1-METHYLURIC ACID (M-H)- | ME211533 | 0.96 | NA | 0.65 | 0.50 | 1.31 | 1.00 | 0.58 | NA | 1.09 | 1.43 | 0.95 | NA | 0.85 | NA | 1.37 | 1.09 | 0.69 | NA | 1.67 | 1.63 |
ISOLEUCINE (M-H)- | ME211598 | 1.05 | 1.13 | 1.14 | 0.85 | 1.10 | 1.16 | 0.92 | 1.47 | 0.90 | 1.55 | 0.87 | 1.06 | 0.99 | 0.99 | 0.98 | 1.06 | 0.75 | 1.37 | 0.83 | 1.18 |
MEVALONIC ACID (M-H)- | ME211611 | 0.83 | 0.82 | 1.13 | 0.81 | 0.82 | 0.62 | 0.84 | 1.05 | 1.22 | 0.58 | 0.96 | 0.55 | 1.21 | 0.83 | 0.98 | 1.78 | 0.81 | 0.84 | 0.98 | 1.08 |
SALICYLIC ACID (M-H)- | ME211644 | 1.28 | 0.70 | 0.43 | NA | 0.40 | 0.72 | NA | NA | 1.49 | NA | 1.38 | NA | 1.13 | 0.74 | 0.89 | 1.86 | 0.96 | NA | 1.32 | NA |
S-ADENOSYL-L-HOMOCYSTEINE (M-H)- | ME211642 | 0.81 | 0.72 | 1.49 | 1.15 | 1.10 | 0.90 | 0.84 | NA | 0.82 | 1.56 | 0.67 | 0.86 | 1.22 | 0.74 | 0.80 | 0.82 | 0.50 | NA | 0.80 | 1.11 |
4-HYDROXYPHENYLACETIC ACID (M-H)- | ME211545 | 1.56 | 0.39 | 0.77 | 0.55 | 0.87 | 0.16 | 1.56 | NA | 1.79 | 0.61 | 1.19 | 0.54 | 0.93 | 0.45 | 1.13 | NA | 1.54 | NA | 1.15 | 0.85 |
OLEIC ACID (M-H)- | ME211624 | 1.68 | 1.57 | 0.60 | 0.81 | 0.97 | 0.65 | 1.38 | 1.68 | 1.54 | 1.30 | 1.10 | 1.48 | 0.55 | 0.81 | 0.74 | 0.44 | 0.85 | 1.58 | 1.41 | 1.17 |
URIDINE (M+CL)- | ME211663 | 1.04 | 1.10 | 1.03 | 1.15 | 0.97 | 1.14 | 0.78 | 0.74 | 1.02 | 0.98 | 0.96 | 1.26 | 0.99 | 0.99 | 1.04 | 1.19 | 0.88 | 0.76 | 0.99 | 1.18 |
CITRULLINE (M-H)- | ME211567 | 1.06 | NA | 1.06 | 0.95 | 1.06 | NA | 1.14 | NA | 1.09 | 1.03 | 0.87 | NA | 1.23 | 0.58 | 0.78 | NA | 0.73 | NA | 0.82 | 0.76 |
L-[15N]ANTHRANILIC ACID [ISTD] (M-H)- | ME211602 | 0.75 | 0.67 | 0.91 | 0.75 | 0.89 | 1.83 | 0.83 | 0.33 | 1.31 | 1.00 | 0.84 | 0.69 | 1.17 | 0.61 | 1.46 | 1.65 | 0.81 | 0.58 | 1.00 | 0.72 |
ETHYLMALONIC ACID (M-H)- | ME211581 | 0.81 | 0.73 | 0.84 | 0.71 | 1.05 | 0.24 | 0.93 | 1.16 | 1.19 | 0.63 | 1.05 | 0.90 | 1.09 | 0.55 | 1.20 | 0.35 | 0.52 | 1.24 | 1.50 | 0.81 |
URIDINE (M-H)- | ME211664 | 1.33 | 1.90 | 0.60 | 1.77 | 1.59 | 0.28 | 0.61 | NA | 0.77 | 1.08 | 1.12 | 0.74 | 0.59 | 1.05 | 1.08 | 0.34 | 1.78 | NA | 0.63 | 1.62 |
PALMITOLEIC ACID (M-H)- | ME211633 | 1.59 | 1.43 | 0.79 | 0.88 | 0.97 | 0.51 | 1.03 | 1.67 | 1.42 | 0.97 | 1.01 | 0.79 | 0.72 | 1.12 | 0.85 | 0.41 | 0.64 | 1.55 | 1.30 | 1.16 |
PANTOTHENIC ACID (M-H)- | ME211635 | 0.94 | 1.46 | 0.74 | 0.47 | 1.19 | 0.80 | 1.10 | 0.36 | 0.90 | 0.72 | 1.14 | 1.23 | 0.93 | 0.74 | 1.15 | 1.02 | 1.19 | 0.40 | 1.09 | 2.31 |
KYNURENIC ACID (M-H)- | ME211599 | 1.02 | 1.15 | 0.89 | 1.02 | 1.22 | 1.07 | 0.90 | NA | 1.12 | 1.54 | 0.86 | 0.96 | 0.89 | 0.83 | 1.10 | 1.12 | 0.82 | 0.27 | 1.08 | 1.51 |
N-ACETYL-L-ALANINE (M-H)- | ME211617 | 1.06 | 1.02 | 0.88 | 0.85 | 0.99 | 0.69 | 1.11 | 1.00 | 1.08 | 1.12 | 1.04 | 0.99 | 0.92 | 0.90 | 1.11 | 0.73 | 1.05 | 1.12 | 1.05 | 1.38 |
PHYTANIC ACID (M-H)- | ME211638 | 1.41 | 1.86 | 0.87 | 0.62 | 1.11 | 0.73 | 0.90 | 1.77 | 1.27 | 0.99 | 0.92 | 1.25 | 0.77 | 0.83 | 0.83 | 0.63 | 0.80 | 1.64 | 1.21 | 1.25 |
ERUCIC ACID (M-H)- | ME211580 | 1.52 | 2.23 | 0.85 | 0.48 | 0.92 | 0.62 | 1.40 | 1.93 | 1.23 | 0.78 | 0.66 | 1.53 | 0.79 | 0.67 | 0.86 | 0.42 | 0.75 | 1.87 | 1.20 | 1.24 |
EPIBRASSINOLIDE [ISTD] (M+CL)- | ME211579 | 0.95 | 0.98 | 1.01 | 0.97 | 1.10 | 0.92 | 0.89 | 1.01 | 1.00 | 0.96 | 0.98 | 0.98 | 0.98 | 0.99 | 1.11 | 0.96 | 0.91 | 1.11 | 0.97 | 1.03 |
N-ACETYL-L-LEUCINE (M-H)- | ME211618 | 1.03 | 1.24 | 1.00 | 0.76 | 1.00 | 0.92 | 0.78 | 1.03 | 0.97 | 0.83 | 0.93 | 0.87 | 0.99 | 0.99 | 1.09 | 0.93 | 0.85 | 0.93 | 1.18 | 1.67 |
NERVONIC ACID (M-H)- | ME211623 | 1.19 | 1.69 | 0.72 | 0.80 | 0.88 | 1.14 | 1.44 | 2.49 | 1.24 | 0.78 | 1.00 | 1.52 | 0.73 | 0.99 | 0.94 | 0.91 | 0.91 | 2.40 | 1.19 | 1.19 |
DOCOSAHEXAENOIC ACID (M-H)- | ME211577 | 1.32 | 2.12 | 0.79 | 0.59 | 0.90 | 0.39 | 1.57 | 1.63 | 1.28 | 0.98 | 0.86 | 1.47 | 0.91 | 1.00 | 0.66 | 0.35 | 0.68 | 1.68 | 1.34 | 1.47 |
5-HYDROXYTRYPTOPHAN (M-H)- | ME211549 | 1.05 | 0.79 | 0.92 | 0.69 | 1.19 | 0.64 | 1.27 | NA | 1.19 | 1.00 | 1.14 | 0.72 | 0.74 | 0.61 | 1.03 | 0.72 | 1.37 | NA | 1.01 | 1.27 |
ARACHIDIC ACID (M-H)- | ME211555 | 1.68 | 2.48 | 0.74 | 0.61 | 0.92 | 0.85 | 1.35 | 1.32 | 1.35 | 0.96 | 0.79 | 1.76 | 0.69 | 0.78 | 0.63 | 0.62 | 0.90 | 1.48 | 1.25 | 1.74 |
ORNITHINE (M-H)- | ME211627 | 1.16 | 1.07 | 1.03 | 1.08 | 1.15 | 0.58 | 0.98 | 0.91 | 0.82 | 1.24 | 1.00 | 1.02 | 0.98 | 0.92 | 1.08 | 0.61 | 0.92 | 0.86 | 0.85 | 1.02 |
DEOXYCHOLIC ACID (2M-H)- | ME211573 | 1.50 | 0.20 | 0.73 | 0.25 | 1.04 | 0.29 | 0.82 | 34.68 | 0.43 | 0.34 | 1.00 | 0.84 | 0.52 | 0.24 | 0.49 | 0.22 | 0.33 | 27.17 | 0.40 | 0.19 |
METHYLMALONIC ACID (M-H)- | ME211610 | 0.96 | 1.71 | 0.89 | 0.94 | 1.00 | 0.95 | 0.89 | 1.63 | 1.03 | 1.03 | 1.16 | 0.68 | 0.78 | 1.58 | 1.11 | 1.07 | 0.99 | 2.08 | 1.19 | 1.27 |
GLYCERIC ACID (M-H)- | ME211585 | 0.95 | 0.49 | 0.94 | 0.74 | 0.85 | 0.56 | 0.81 | 1.00 | 0.88 | 0.12 | 1.11 | 0.77 | 1.05 | 0.96 | 1.38 | 0.62 | 1.31 | 3.12 | 1.05 | 1.01 |
MANDELIC ACID (M-H)- | ME211609 | 0.95 | 0.98 | 0.99 | 1.10 | 1.21 | 1.71 | 0.99 | 1.44 | 0.75 | 1.06 | 0.98 | 0.98 | 0.99 | 0.89 | 1.25 | 1.79 | 0.59 | 1.33 | 0.80 | 0.97 |
TRANS-ACONITIC ACID (M-H)- | ME211655 | 0.96 | 0.99 | 1.01 | 0.74 | 1.14 | 0.60 | 0.99 | 0.76 | 0.98 | 1.21 | 0.99 | 0.92 | 0.95 | 0.93 | 1.06 | 0.97 | 1.07 | 0.97 | 0.94 | 1.27 |
MYRISTOLEIC ACID (M-H)- | ME211613 | 1.20 | 1.04 | 0.90 | 1.01 | 1.03 | 0.45 | 0.84 | 2.19 | 1.41 | 1.18 | 0.96 | 0.43 | 0.81 | 1.13 | 0.93 | 0.39 | 0.57 | 1.96 | 1.40 | 1.16 |
TRICOSANOIC ACID (M-H)- | ME211657 | 1.11 | 2.00 | 0.80 | 0.56 | 1.11 | 1.65 | 0.87 | 0.73 | 0.90 | NA | 0.99 | 1.55 | 0.74 | NA | 1.08 | 0.94 | 1.04 | 0.85 | 1.10 | NA |
MYRISTIC ACID (M-H)- | ME211612 | 1.54 | 1.62 | 0.75 | 0.95 | 1.15 | 0.67 | 1.01 | 1.37 | 1.29 | 1.15 | 0.99 | 1.10 | 0.70 | 1.05 | 0.82 | 0.58 | 0.77 | 1.33 | 1.22 | 1.40 |
DEOXYADENOSINE (M+CL)- | ME211572 | 1.42 | 0.85 | 0.81 | 1.54 | 0.79 | 0.72 | 0.97 | 0.69 | 1.13 | 0.63 | 1.00 | 0.68 | 0.87 | 1.02 | 0.86 | 0.57 | 1.69 | 1.54 | 1.08 | 0.96 |
ADENOSINE 5^-MONOPHOSPHATE (M-H)- | ME211552 | 0.76 | 0.91 | 0.81 | 0.90 | 1.01 | 1.08 | 0.66 | NA | 0.97 | NA | 1.04 | 1.10 | 0.95 | 0.83 | 1.32 | 1.40 | 0.63 | 0.47 | 1.48 | NA |
TYROSINE (M-H)- | ME211661 | 0.82 | 0.87 | 1.32 | 1.07 | 1.09 | 1.07 | 0.86 | 0.95 | 0.82 | 1.40 | 0.74 | 0.97 | 1.22 | 0.97 | 0.92 | 1.03 | 0.68 | 0.83 | 0.77 | 0.74 |
CIS-11-EICOSENOIC ACID (M-H)- | ME211564 | 1.70 | 2.68 | 0.57 | 0.81 | 0.89 | 0.61 | 1.39 | 2.11 | 1.65 | 1.23 | 0.98 | 1.52 | 0.48 | 0.80 | 0.67 | 0.43 | 0.81 | 1.36 | 1.55 | 1.18 |
PIMELIC ACID (M-H)- | ME211639 | 0.75 | 0.93 | 0.77 | 0.66 | 0.87 | 0.28 | 2.06 | 0.79 | 1.32 | NA | 0.76 | 0.78 | 1.24 | NA | 1.15 | 1.12 | 2.05 | NA | 0.79 | NA |
16:0-18:0 PC (M+CL)- | ME211535 | 0.93 | 0.79 | 0.95 | 1.26 | 0.94 | 1.24 | 1.01 | 0.52 | 1.20 | 1.21 | 1.07 | 0.92 | 0.90 | 0.80 | 1.02 | 1.30 | 1.08 | 1.47 | 1.04 | 0.98 |
DECANOIC ACID (M-H)- | ME211570 | 0.94 | 1.45 | 0.89 | 0.87 | 1.87 | 1.36 | 0.58 | NA | 0.94 | 0.98 | 0.72 | 0.68 | 0.71 | 0.60 | 1.28 | 1.25 | 0.57 | NA | 0.83 | 1.99 |
BEHENIC ACID (M-H)- | ME211558 | 0.94 | 1.45 | 0.70 | 0.52 | 1.07 | 2.43 | 1.37 | 0.86 | 0.93 | 2.27 | 0.68 | 1.80 | 0.78 | 0.83 | 0.94 | 1.46 | 1.54 | 0.85 | 1.00 | 3.16 |
MALIC ACID (M-H)- | ME211607 | 0.81 | 1.42 | 1.00 | 1.02 | 1.02 | 1.21 | 1.09 | 0.02 | 0.94 | 0.73 | 1.07 | 0.95 | 1.00 | 0.99 | 1.13 | 1.21 | 0.94 | 1.08 | 0.94 | 1.25 |
ISOCITRIC ACID (M-H)- | ME211597 | 1.06 | 1.05 | 0.98 | 0.84 | 0.94 | 0.78 | 0.93 | 0.85 | 1.19 | 1.04 | 0.94 | 0.79 | 1.01 | 1.23 | 0.90 | 0.72 | 1.25 | 2.14 | 0.93 | 1.01 |
TRICARBALLYLIC ACID (M-H)-[-H2O] | ME211656 | 0.57 | 1.47 | 0.87 | 0.30 | 0.70 | NA | 0.76 | 0.20 | 0.76 | 0.19 | 0.71 | 0.60 | 1.39 | 0.80 | 1.81 | 0.63 | 0.96 | 0.41 | 1.25 | 0.80 |
GLUCOSE (M+CL)- | ME211582 | 0.83 | 0.67 | 0.99 | 0.80 | 0.75 | 3.40 | 1.87 | 2.07 | 1.07 | 0.59 | 1.62 | 1.22 | 0.87 | 0.52 | 0.79 | 0.54 | 0.99 | 2.76 | 0.63 | 0.72 |
3-HYDROXY-3-METHYLGLUTARIC ACID (M-H)- | ME211542 | 1.05 | 0.92 | 0.57 | 0.72 | 0.80 | 0.64 | 0.83 | 1.18 | 1.58 | NA | 0.90 | 1.37 | 0.94 | 0.73 | 1.02 | 1.06 | 0.98 | 0.68 | 1.47 | NA |
SALICYLURIC ACID (M-H)- | ME211645 | 0.58 | 0.02 | 2.38 | 1.24 | 0.15 | 0.02 | 0.07 | 1.85 | 0.21 | 0.34 | 1.15 | 0.02 | 0.75 | 0.65 | 2.39 | 0.02 | 0.07 | 1.73 | 0.26 | 0.53 |
INDOLE-3-ACETIC ACID (M-H)- | ME211596 | 0.67 | 0.88 | 0.76 | 0.95 | 1.86 | 1.85 | 0.73 | 1.19 | 0.74 | 1.09 | 0.70 | 1.10 | 0.74 | 1.24 | 1.93 | 1.88 | 0.71 | 1.16 | 0.82 | 0.81 |
4-PYRIDOXIC ACID (M-H)- | ME211547 | 0.53 | 0.80 | 1.23 | 0.76 | 1.62 | 0.99 | 1.04 | 0.39 | 0.51 | 0.65 | 0.67 | 1.03 | 1.09 | 1.14 | 1.51 | 1.06 | 0.84 | 0.39 | 0.61 | 0.80 |
2-METHYLMALEIC ACID (M-H)- | ME211539 | 0.70 | 1.04 | 1.00 | 1.62 | 1.38 | 0.31 | 0.57 | 0.07 | 1.18 | 1.06 | 0.95 | 0.69 | 1.02 | 2.10 | 0.94 | 0.40 | 0.54 | NA | 0.65 | 1.20 |
SALICYLATE #2 (M-H)- | ME211643 | 0.69 | 0.05 | 2.38 | 1.27 | 0.31 | 0.04 | 0.13 | 1.97 | 0.23 | 0.42 | 0.94 | 0.06 | 0.83 | 0.78 | 2.58 | 0.05 | 0.15 | 1.77 | 0.25 | 0.38 |
L-TRYPTOPHAN-15N2 [ISTD] (M-H)- | ME211601 | 0.99 | 0.92 | 0.99 | 1.00 | 1.10 | 0.99 | 0.91 | 0.86 | 0.96 | 0.96 | 0.96 | 1.00 | 0.98 | 0.97 | 1.16 | 0.98 | 0.96 | 0.96 | 0.96 | 0.88 |
SEBACIC ACID (M-H)- | ME211646 | 1.05 | 0.66 | 0.67 | 0.65 | 1.09 | 0.55 | 2.47 | 2.33 | 1.10 | 0.61 | 0.92 | 0.83 | 0.60 | 0.95 | 1.06 | 0.63 | 1.93 | 2.36 | 1.09 | 0.99 |
ALPHA-HYDROXYISOBUTYRIC ACID (M-H)- | ME211554 | 1.19 | 1.99 | 0.70 | 0.74 | 0.96 | 0.83 | 0.93 | 0.68 | 1.11 | 1.23 | 1.22 | 1.28 | 0.77 | 0.85 | 0.97 | 0.69 | 1.18 | 0.73 | 1.24 | 2.35 |
4-ACETAMINOPHEN SULFATE (M-H)- | ME211544 | 0.33 | 0.08 | 0.26 | 1.94 | 0.25 | 0.27 | 6.32 | NA | 0.11 | NA | 1.47 | 0.20 | 0.11 | 0.00 | 2.66 | 0.26 | 0.04 | NA | 0.27 | NA |
HEPTADECANOIC ACID (M-H)- | ME211590 | 1.39 | 1.91 | 0.80 | 0.66 | 0.97 | 0.69 | 1.26 | 1.31 | 1.26 | 0.77 | 0.97 | 1.42 | 0.75 | 0.95 | 0.86 | 0.61 | 0.98 | 1.36 | 1.19 | 1.23 |
1-METHYLURIC ACID (2M-H)- | ME211532 | 0.78 | 0.33 | 1.17 | 1.62 | 1.30 | 0.10 | 1.83 | NA | 1.38 | 0.61 | 0.75 | NA | 0.44 | 1.96 | 1.02 | 0.10 | 0.12 | NA | 2.02 | 0.68 |
SUCROSE (M+CL)- | ME211650 | 1.33 | 0.54 | 0.77 | 0.61 | 0.76 | 1.14 | 2.84 | 1.29 | 1.15 | NA | 1.11 | 0.24 | 0.73 | 0.90 | 0.72 | 0.95 | 1.02 | 1.83 | 1.13 | NA |
18:0 LYSO-PE (M-H)- | ME211536 | 1.69 | 1.72 | 0.81 | 0.44 | 0.81 | 0.46 | 2.02 | 1.02 | 1.18 | 1.03 | 0.96 | 1.09 | 0.79 | 0.58 | 0.72 | 0.44 | 0.82 | 1.33 | 1.18 | 0.87 |
GLYCOCHOLIC ACID (M-H)- | ME211587 | 0.89 | 1.13 | 1.44 | 0.62 | 1.35 | 1.12 | 0.32 | 1.67 | 0.73 | 0.46 | 0.96 | 1.43 | 1.35 | 0.47 | 0.71 | 1.16 | 0.32 | 1.22 | 0.51 | 1.17 |
QUINIC ACID (M-H)- | ME211640 | 4.78 | 0.38 | 0.71 | NA | 0.91 | NA | 0.81 | NA | 0.84 | NA | 1.96 | 0.44 | 0.86 | 0.38 | 0.48 | NA | 0.71 | NA | 0.84 | NA |
MANDELIC ACID #2 (M-H)- | ME211608 | 1.76 | 5.08 | 0.41 | 0.34 | 0.36 | 0.35 | 2.52 | 2.67 | 3.03 | 0.16 | 0.35 | 0.68 | 0.18 | 0.11 | 0.59 | 0.47 | 0.85 | 0.13 | 0.65 | 0.57 |
LINOLEIC ACID (M-H)- | ME211605 | 1.66 | 2.05 | 0.66 | 0.65 | 0.88 | 0.56 | 1.41 | 1.66 | 1.57 | 0.93 | 1.07 | 1.69 | 0.60 | 0.73 | 0.68 | 0.45 | 0.88 | 1.52 | 1.40 | 1.03 |
Factors:
F1 | Exercise:No | Group:Borderline Pressures | Sex:Female | Type:Cath |
F2 | Exercise:No | Group:Borderline Pressures | Sex:Male | Type:Cath |
F3 | Exercise:No | Group:Healthy | Sex:Female | Type:Non-invasive |
F4 | Exercise:No | Group:Healthy | Sex:Male | Type:Non-invasive |
F5 | Exercise:No | Group:LowRisk | Sex:Female | Type:Non-invasive |
F6 | Exercise:No | Group:LowRisk | Sex:Male | Type:Non-invasive |
F7 | Exercise:No | Group:Normal Pressures | Sex:Female | Type:Cath |
F8 | Exercise:No | Group:Normal Pressures | Sex:Male | Type:Cath |
F9 | Exercise:No | Group:PAH | Sex:Female | Type:Cath |
F10 | Exercise:No | Group:PAH | Sex:Male | Type:Cath |
F11 | Exercise:Yes | Group:Borderline Pressures | Sex:Female | Type:Cath |
F12 | Exercise:Yes | Group:Borderline Pressures | Sex:Male | Type:Cath |
F13 | Exercise:Yes | Group:Healthy | Sex:Female | Type:Non-invasive |
F14 | Exercise:Yes | Group:Healthy | Sex:Male | Type:Non-invasive |
F15 | Exercise:Yes | Group:LowRisk | Sex:Female | Type:Non-invasive |
F16 | Exercise:Yes | Group:LowRisk | Sex:Male | Type:Non-invasive |
F17 | Exercise:Yes | Group:Normal Pressures | Sex:Female | Type:Cath |
F18 | Exercise:Yes | Group:Normal Pressures | Sex:Male | Type:Cath |
F19 | Exercise:Yes | Group:PAH | Sex:Female | Type:Cath |
F20 | Exercise:Yes | Group:PAH | Sex:Male | Type:Cath |