Clustering data with hclust algorithm for Untargeted metabolomics and lipidomics of scleroderma PAH discovery cohort (Study ST000763)
Reversed phase POSITIVE ION MODE (Analysis AN001202)Metabolite | Structure | F1 | F2 | F3 | F4 | F5 | F6 | F7 | F8 | F9 | F10 | F11 | F12 | F13 | F14 | F15 | F16 | F17 | F18 | F19 | F20 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
16:0 LYSO PC (M+H)+ | ME211671 | 1.50 | 1.38 | 0.72 | 0.98 | 0.86 | 0.84 | 1.19 | 1.27 | 1.34 | 2.25 | 0.66 | 1.26 | 0.82 | 1.47 | 0.66 | 0.71 | 0.96 | 1.87 | 1.55 | 0.61 |
PROLINE (M+H)+ | ME211778 | 1.11 | 1.08 | 1.06 | 0.65 | 0.94 | 1.14 | 1.02 | 1.31 | 1.08 | 1.18 | 0.88 | 0.61 | 1.05 | 0.81 | 1.05 | 0.96 | 0.74 | 0.99 | 0.95 | 0.91 |
AZELAIC ACID (M+H)+[-H2O] | ME211692 | 0.72 | 1.08 | 1.00 | 1.06 | 1.23 | 1.14 | 0.81 | NA | 0.90 | NA | 0.75 | 0.82 | 0.98 | 0.78 | 1.24 | 1.31 | 0.94 | NA | 1.08 | NA |
NAPROXEN (M+H)+ | ME211759 | 0.14 | 9.32 | 0.64 | 3.68 | 0.08 | 0.11 | 0.26 | NA | 0.03 | 0.03 | 2.51 | NA | 0.13 | 3.97 | 0.12 | 0.23 | 0.16 | 0.00 | NA | 10.48 |
P-ACETAMIDOPHENYL BETA-D-GLUCURONIDE (M+H)+ | ME211772 | 1.13 | 1.29 | 0.25 | 0.07 | 0.82 | 0.81 | 3.77 | NA | 0.09 | NA | 0.84 | 0.53 | 0.04 | NA | 2.25 | 0.88 | 0.01 | NA | 0.11 | NA |
ALPHA-LINOLENIC ACID (M+NA)+ | ME211690 | 1.16 | 0.65 | 0.81 | 0.83 | 0.94 | 0.86 | 1.14 | 1.30 | 1.08 | 0.83 | 1.36 | 1.16 | 0.84 | 0.96 | 1.06 | 0.96 | 0.92 | 0.95 | 1.07 | 1.28 |
DESMOSTEROL (M+H)+[-H2O] | ME211716 | 1.33 | NA | 0.57 | 2.34 | 0.98 | 1.18 | 1.10 | 2.78 | 1.24 | 2.26 | 0.82 | NA | 0.59 | 0.53 | 0.80 | 0.84 | 1.09 | 3.64 | 1.42 | 0.31 |
GLYCOCHOLIC ACID (M+H)+ | ME211726 | 0.75 | 1.15 | 1.50 | 0.50 | 1.29 | 1.01 | 0.36 | 1.43 | 0.67 | 0.41 | 0.85 | 1.22 | 1.39 | 0.57 | 0.79 | 1.77 | 0.35 | 1.16 | 0.49 | 1.04 |
4-QUINOLINECARBOXYLIC ACID #2 (M+H)+ | ME211680 | 0.93 | 1.12 | 1.02 | 1.73 | 1.00 | 0.52 | 0.59 | NA | 1.13 | NA | 1.05 | 1.14 | 1.04 | 1.43 | 0.98 | 0.71 | 0.60 | NA | 0.93 | NA |
EDTA (M+H)+ | ME211719 | 0.62 | 1.15 | 1.00 | 0.83 | 0.97 | 0.61 | 1.23 | 1.63 | 1.23 | 0.44 | 0.87 | 0.53 | 1.10 | 0.61 | 0.82 | 1.21 | 1.07 | 2.25 | 1.23 | 0.40 |
ZEATIN [ISTD] (M+H)+ | ME211801 | 0.97 | 1.00 | 1.02 | 0.99 | 0.99 | 0.95 | 1.02 | 0.94 | 0.93 | 0.97 | 1.05 | 0.98 | 1.06 | 1.03 | 0.97 | 0.95 | 1.01 | 0.92 | 0.94 | 0.95 |
N-CYCLOHEXYLFORMAMIDE (M+NA)+ | ME211757 | 1.05 | 1.06 | 1.06 | 1.12 | 1.11 | 1.05 | 1.01 | 1.84 | 0.89 | 0.81 | 0.97 | 0.83 | 0.88 | 0.90 | 1.06 | 1.03 | 1.15 | 0.47 | 0.89 | 1.13 |
VALINE (M+NA)+ | ME211800 | 0.60 | 0.82 | 0.59 | 0.19 | 1.01 | 2.55 | 0.39 | NA | 0.56 | NA | 2.50 | 0.93 | 0.81 | NA | 1.65 | 0.50 | 0.60 | NA | 1.79 | NA |
THEOBROMINE (M+NA)+ | ME211789 | 0.99 | 0.72 | 1.22 | 0.79 | 0.86 | 0.60 | 0.77 | 0.13 | 1.15 | 1.70 | 1.03 | 0.56 | 1.00 | 1.18 | 0.92 | 0.87 | 1.00 | 0.06 | 1.02 | 0.49 |
KYNURENIC ACID (M+H)+ | ME211742 | 0.92 | 1.10 | 0.87 | 0.95 | 1.48 | 1.00 | 0.68 | 0.25 | 1.07 | NA | 0.91 | 1.12 | 0.76 | 0.81 | 1.56 | 1.10 | 0.72 | 0.23 | 1.09 | NA |
BIS(2-ETHYLHEXYL)PHTHALIC ACID (M+H)+ | ME211696 | 1.68 | NA | 0.75 | 1.90 | 0.75 | 0.68 | 1.48 | 1.70 | 1.11 | 0.55 | 1.41 | NA | 0.62 | 0.64 | 0.66 | 0.86 | 1.14 | 0.60 | 1.33 | 0.57 |
3-HYDROXYBENZALDEHYDE (M+H)+[-H2O] | ME211675 | 0.93 | 0.73 | 1.20 | 0.54 | 1.03 | 0.25 | 0.67 | 1.71 | 1.02 | 1.54 | 0.93 | 0.85 | 1.06 | 1.23 | 0.81 | 0.29 | 0.78 | 1.70 | 1.11 | 1.35 |
GLYCOCHOLIC ACID (M+NA)+ | ME211728 | 0.70 | 1.25 | 1.45 | 0.44 | 1.43 | 0.85 | 0.35 | 1.10 | 0.81 | 0.52 | 0.79 | 1.10 | 1.38 | 0.59 | 0.69 | 0.93 | 0.41 | 0.69 | 0.47 | 1.24 |
ISOLEUCINE (M+H)+ | ME211739 | 1.01 | 1.14 | 1.00 | 1.04 | 1.03 | 1.04 | 0.97 | 1.03 | 0.98 | 1.18 | 0.99 | 1.09 | 0.98 | 0.99 | 1.00 | 1.07 | 0.98 | 1.07 | 0.96 | 1.07 |
THEOBROMINE (M+H)+ | ME211788 | 1.04 | 0.43 | 1.16 | 1.44 | 1.07 | 0.43 | 0.62 | NA | 0.80 | 1.60 | 0.69 | 0.29 | 1.30 | 0.70 | 0.86 | 0.52 | 0.57 | NA | 1.43 | 0.54 |
16:0 LYSO PC (M+NA)+ | ME211672 | 1.13 | 1.44 | 0.96 | 1.07 | 0.94 | 1.64 | 1.21 | 0.49 | 0.86 | 1.20 | 0.71 | 1.23 | 0.94 | 0.94 | 0.94 | 1.32 | 1.43 | 0.46 | 1.13 | 0.87 |
METHYL INDOLE-3-ACETATE (M+NA)+ | ME211751 | 0.70 | 0.45 | 0.79 | 1.41 | 1.94 | 0.91 | 1.05 | 0.94 | 0.64 | 0.96 | 0.72 | 1.10 | 0.66 | 1.50 | 2.01 | 0.65 | 0.78 | 0.89 | 0.77 | 0.86 |
METHIONINE (M+H)+ | ME211749 | 0.86 | 0.90 | 1.14 | 0.99 | 1.09 | 0.94 | 0.89 | 0.81 | 0.91 | 1.53 | 0.87 | 0.92 | 1.06 | 1.00 | 1.08 | 0.97 | 0.85 | 0.92 | 0.90 | 0.83 |
OCTENOYLCARNITINE (*) M+ | ME211762 | 1.39 | 0.18 | 0.81 | 0.37 | 0.97 | 0.53 | 0.88 | 0.52 | 0.82 | 2.27 | 0.97 | 0.62 | 1.14 | 0.43 | 1.09 | 0.31 | 0.79 | 0.09 | 1.50 | 0.26 |
5-OXOPROLINE (M+NA)+ | ME211684 | 0.92 | 1.00 | 0.87 | 0.71 | 0.99 | 1.00 | 0.98 | 1.56 | 1.24 | 1.00 | 1.05 | 1.06 | 0.91 | 0.86 | 1.21 | 1.03 | 0.98 | 0.99 | 1.08 | 0.97 |
EDTA (M+NA)+ | ME211720 | 1.08 | 0.44 | 1.06 | 0.89 | 0.88 | 0.19 | 0.54 | 0.54 | 0.85 | 0.50 | 1.13 | 1.13 | 1.11 | 0.45 | 1.16 | 0.16 | 1.87 | 2.77 | 0.69 | 0.66 |
GLUTARYLCARNITINE (*) (M+H)+ | ME211723 | 0.96 | 1.25 | 1.05 | 0.94 | 1.06 | 1.24 | 1.05 | 1.17 | 0.98 | 1.71 | 1.04 | 1.20 | 0.93 | 0.99 | 0.95 | 1.50 | 0.64 | 0.24 | 0.95 | 1.16 |
ISO-BUTYRYLCARNITINE (*) (M+H)+ | ME211738 | 0.90 | 0.91 | 1.06 | 0.81 | 1.23 | 0.45 | 1.21 | 1.85 | 0.67 | 1.66 | 0.79 | 1.01 | 1.06 | 0.87 | 1.18 | 0.48 | 0.73 | 1.18 | 0.96 | 1.11 |
3-DEHYDROXYCARNITINE (M+H)+ | ME211674 | 0.84 | NA | 0.92 | NA | 1.09 | NA | 1.34 | 1.17 | 1.13 | NA | 0.92 | NA | 0.99 | NA | 1.02 | NA | 0.83 | 1.04 | 1.07 | NA |
3-METHOXYTYROSINE (M+H)+ | ME211676 | 2.31 | 0.70 | 0.74 | 0.69 | 0.86 | 0.61 | 0.83 | 1.00 | 0.87 | 0.57 | 2.33 | 0.73 | 0.72 | 0.85 | 0.65 | 0.47 | 0.85 | 1.39 | 0.82 | 0.85 |
AZELAIC ACID (M+NA)+ | ME211693 | 1.04 | 1.82 | 0.92 | 1.25 | 0.97 | 0.96 | 1.18 | 0.75 | 0.96 | 1.13 | 0.91 | 0.96 | 1.07 | 0.87 | 0.93 | 0.84 | 1.25 | 0.90 | 0.84 | 0.91 |
SUBERIC ACID (M+NA)+ | ME211786 | 0.81 | 1.15 | 1.10 | 0.63 | 0.85 | 0.82 | 0.72 | NA | 0.94 | 0.85 | 1.64 | 1.79 | 1.00 | 0.53 | 1.15 | NA | 0.72 | NA | 1.08 | 0.72 |
OLEIC ACID (M+NA)+ | ME211765 | 0.89 | 0.79 | 0.88 | 1.06 | 1.25 | 1.08 | 0.90 | 0.52 | 0.59 | 0.51 | 1.32 | 0.57 | 1.10 | 0.91 | 1.34 | 1.00 | 0.78 | 0.79 | 0.91 | 0.66 |
GLYCOCHOLIC ACID (M+H)+[-H2O] | ME211727 | 0.76 | 0.90 | 1.46 | 0.33 | 1.21 | 0.85 | 0.36 | 1.42 | 0.84 | 0.53 | 0.81 | 1.04 | 1.30 | 0.74 | 0.78 | 1.39 | 0.44 | 0.82 | 0.64 | 0.91 |
NICOTINAMIDE (M+H)+ | ME211761 | 0.72 | 0.61 | 1.00 | 0.72 | 0.92 | 1.22 | 2.27 | 0.31 | 0.83 | 0.98 | 0.96 | 0.64 | 1.07 | 1.11 | 1.04 | 1.26 | 1.12 | 0.43 | 0.85 | 0.92 |
TYROSINE (M+NA)+ | ME211796 | 1.06 | 0.66 | 1.12 | 0.96 | 0.96 | 1.08 | 0.94 | 0.97 | 0.97 | 1.36 | 0.86 | 1.06 | 1.04 | 0.92 | 0.93 | 1.16 | 0.93 | 1.10 | 0.92 | 1.15 |
GLYCEROL MYRISTATE (M+H)+[-H2O] | ME211724 | 0.79 | 0.70 | 1.07 | 0.59 | 1.12 | 0.60 | 1.35 | 0.46 | 0.77 | NA | 1.11 | 0.69 | 1.02 | 1.01 | 1.24 | 0.89 | 0.71 | 0.91 | 0.95 | 1.46 |
OLEIC ACID (M+H)+ | ME211764 | 1.29 | NA | 0.72 | NA | 1.08 | 0.27 | 0.93 | 0.41 | 1.00 | NA | 1.18 | NA | 1.23 | NA | 0.89 | 0.84 | 1.18 | 1.54 | 0.85 | NA |
LAUROYLCARNITINE (M+H)+ | ME211746 | 0.76 | 0.70 | 1.36 | 0.79 | 1.17 | 0.50 | 0.79 | 0.55 | 1.16 | 0.77 | 0.83 | 0.52 | 1.18 | 0.92 | 1.17 | 0.56 | 0.67 | 0.50 | 0.48 | 0.61 |
OMEPRAZOLE SULFONE (M+H)+ | ME211770 | 0.40 | NA | 0.94 | 0.00 | 0.92 | 0.46 | 1.53 | 0.82 | 2.11 | 0.30 | 0.63 | 2.62 | 0.56 | 0.89 | 1.65 | 0.44 | 0.90 | 0.83 | 1.59 | 0.33 |
PROPIONYLCARNITINE (*) (M+H)+ | ME211780 | 0.85 | 0.95 | 0.85 | 1.03 | 1.09 | 0.88 | 2.10 | 0.72 | 0.76 | 1.66 | 0.92 | 0.65 | 1.02 | 1.05 | 0.75 | 0.33 | 1.33 | NA | 1.32 | 0.72 |
N-ACETYL-DL-SERINE (M+H)+[-H2O] | ME211754 | 0.91 | 0.86 | 0.92 | 1.10 | 1.05 | 1.11 | 1.08 | 1.48 | 1.15 | 1.12 | 1.10 | 1.21 | 0.93 | 0.90 | 1.28 | 1.11 | 0.59 | 0.88 | 0.91 | 1.03 |
ACETAMINOPHEN (TN TYLENOL) (M+NA)+ | ME211686 | 2.15 | 1.03 | 0.42 | 1.11 | 1.25 | 1.89 | 0.98 | NA | 0.71 | NA | 1.86 | 0.80 | 0.12 | NA | 1.49 | 1.79 | 0.10 | NA | 1.31 | NA |
4-HYDROXY-3-METHOXYPHENYLGLYCOL (M+H)+[-H2O] | ME211678 | 1.02 | 0.89 | 1.02 | 0.95 | 1.06 | 0.93 | 1.11 | 0.86 | 0.97 | 1.14 | 1.00 | 0.95 | 1.00 | 0.97 | 0.97 | 1.00 | 0.94 | 0.80 | 0.94 | 0.99 |
GLYCEROL MYRISTATE (M+NA)+ | ME211725 | 0.85 | 0.88 | 1.04 | 1.12 | 1.17 | 1.26 | 0.77 | 1.11 | 0.92 | 1.06 | 0.88 | 1.11 | 1.04 | 0.98 | 1.07 | 1.39 | 0.86 | 1.23 | 0.99 | 0.83 |
P-ACETAMIDOPHENYL BETA-D-GLUCURONIDE (M+NA)+ | ME211773 | 1.94 | 2.21 | 0.64 | 0.20 | 1.67 | 0.73 | 0.16 | NA | 0.49 | NA | 1.74 | 1.13 | 0.17 | NA | 1.46 | 0.73 | 0.05 | NA | 0.33 | NA |
OLEOYL-GLYCEROL (M+NA)+ | ME211767 | 1.24 | 1.61 | 0.70 | 0.92 | 1.04 | 1.23 | 1.05 | 1.68 | 1.23 | 1.20 | 0.99 | 2.51 | 0.66 | 0.73 | 0.83 | 1.15 | 1.14 | 2.52 | 1.38 | 0.91 |
DECANOYLCARNITINE (*) (M+H)+ | ME211712 | 0.73 | 1.18 | 1.27 | 1.03 | 1.38 | 0.98 | 0.64 | 0.61 | 0.84 | 1.27 | 0.75 | 0.73 | 1.09 | 1.48 | 1.10 | 1.11 | 0.64 | 0.58 | 0.66 | 0.93 |
DEOXYCHOLIC ACID (2M+H)+ | ME211713 | 1.63 | 0.44 | 0.69 | 0.18 | 1.28 | 0.06 | 0.92 | 27.52 | 0.30 | 0.30 | 1.36 | 0.68 | 0.46 | 0.17 | 0.68 | 0.06 | 0.36 | 21.58 | 0.33 | 0.69 |
ADIPIC ACID (M+H)+ | ME211688 | 1.04 | 1.05 | 0.99 | 0.99 | 1.08 | 0.94 | 1.03 | NA | 1.01 | NA | 0.95 | 1.02 | 0.97 | 1.07 | 1.04 | 1.01 | 0.95 | NA | 0.89 | NA |
1-METHYLADENOSINE (M+NA)+ | ME211670 | 1.03 | NA | 0.99 | NA | 1.06 | 0.95 | 1.30 | NA | 0.95 | NA | 0.98 | NA | 0.98 | NA | 0.98 | 1.06 | 1.08 | NA | 0.91 | NA |
URIDINE (M+NA)+ | ME211798 | 1.01 | 1.68 | 1.05 | 1.39 | 0.91 | 0.78 | 0.96 | 0.43 | 0.92 | 0.86 | 0.95 | 1.17 | 0.95 | 1.07 | 0.91 | 0.93 | 1.20 | 0.81 | 1.05 | 1.35 |
INDOLE-3-ACETALDEHYDE (M+H)+ | ME211735 | 1.33 | 1.19 | 0.87 | 1.18 | 0.88 | 0.07 | 1.13 | 1.36 | 1.06 | 0.75 | 1.25 | 1.40 | 1.07 | 0.99 | 0.82 | 0.42 | 1.04 | 1.90 | 0.81 | 0.86 |
CORTISOL (M+H)+ | ME211707 | 0.89 | 0.86 | 1.12 | 1.54 | 1.11 | 0.57 | 0.50 | 0.74 | 0.83 | 1.34 | 1.01 | 0.98 | 1.05 | 1.29 | 0.99 | 0.45 | 0.73 | 0.63 | 1.16 | 1.21 |
CORTISOL (M+NA)+ | ME211708 | 0.91 | 0.86 | 1.10 | 1.39 | 1.10 | 0.66 | 0.54 | 0.87 | 0.85 | 1.31 | 1.00 | 1.01 | 1.06 | 1.18 | 1.01 | 0.53 | 0.81 | 0.78 | 1.08 | 1.15 |
PHENYLALANINE (M+NA)+ | ME211777 | 1.11 | 0.80 | 0.99 | 1.10 | 0.92 | 0.54 | 0.81 | 1.22 | 1.12 | 0.77 | 0.92 | 0.92 | 0.98 | 0.94 | 1.01 | 1.43 | 1.00 | 1.29 | 1.17 | 0.91 |
DODECENOYLCARNITINE (*) II M+ | ME211717 | 0.66 | 0.76 | 1.23 | 0.93 | 1.18 | 0.44 | 0.95 | 0.73 | 1.42 | 0.77 | 0.68 | 0.81 | 0.97 | 0.90 | 1.04 | 0.20 | 0.74 | NA | 1.04 | 1.42 |
N-ACETYL-L-PHENYLALANINE (M+NA)+ | ME211755 | 0.99 | 0.69 | 1.18 | 0.59 | 1.11 | 0.93 | 0.52 | 0.65 | 0.83 | NA | 0.98 | 0.83 | 1.18 | 0.92 | 1.10 | 1.15 | 0.60 | 0.79 | 1.03 | NA |
OMEPRAZOLE SULFONE (2M+NA)+ | ME211769 | 0.43 | 0.74 | 0.49 | 0.02 | 0.89 | 0.83 | 2.19 | 0.40 | 1.77 | 0.37 | 0.61 | 1.16 | 0.35 | 1.11 | 1.08 | 0.94 | 1.74 | 0.40 | 1.42 | 0.54 |
DEOXYCHOLIC ACID (2M+NA)+ | ME211714 | 1.57 | 0.19 | 0.79 | 0.19 | 1.44 | 0.10 | 1.13 | 24.70 | 0.23 | 0.32 | 1.13 | 0.88 | 0.54 | 0.18 | 0.65 | 0.08 | 0.31 | 22.14 | 0.30 | 0.30 |
MYRISTOYLCARNITINE (*) (M+H)+ | ME211753 | 1.37 | 1.64 | 1.09 | 0.39 | 0.74 | NA | 0.80 | NA | 0.58 | NA | 1.26 | 1.31 | 0.93 | NA | 0.66 | NA | 1.35 | NA | 0.54 | NA |
S-ADENOSYL-L-HOMOCYSTEINE (M+H)+ | ME211781 | 1.00 | 0.93 | 0.94 | 0.87 | 1.02 | 0.99 | 1.24 | 0.81 | 0.95 | 1.24 | 0.95 | 0.96 | 0.85 | 1.21 | 1.11 | 1.07 | 1.38 | 0.94 | 0.97 | 1.20 |
INDOLE-3-ACETIC ACID (M+H)+ | ME211736 | 0.70 | 0.96 | 0.95 | 1.11 | 1.39 | 2.05 | 0.87 | 1.39 | 0.74 | 1.14 | 0.78 | 1.18 | 0.86 | 1.33 | 1.46 | 1.97 | 0.87 | 1.37 | 0.90 | 0.76 |
1-METHYLADENOSINE (M+H)+ | ME211669 | 0.91 | 1.07 | 0.95 | 0.72 | 1.06 | 1.01 | 1.13 | 0.88 | 1.00 | 1.11 | 1.11 | 0.79 | 0.99 | 0.81 | 1.04 | 1.08 | 0.92 | 0.78 | 1.01 | 1.44 |
SEBACIC ACID (M+NA)+ | ME211784 | 1.14 | 0.95 | 0.72 | 0.75 | 1.34 | 0.64 | 1.48 | 3.15 | 0.77 | 0.70 | 1.04 | 1.49 | 0.64 | 1.42 | 1.22 | NA | 1.43 | 3.10 | 0.70 | 1.15 |
THEOPHYLLINE (M+NA)+ | ME211791 | 1.04 | 1.08 | 0.93 | 0.99 | 1.17 | 0.51 | 1.16 | 0.09 | 1.12 | 0.58 | 0.96 | 0.51 | 1.22 | 1.56 | 0.79 | 0.54 | 0.90 | 0.11 | 0.85 | 0.75 |
GLUCOSE (M+NA)+ | ME211722 | 0.74 | 0.63 | 0.86 | 1.47 | 0.77 | 1.86 | 1.39 | 0.77 | 1.13 | 0.74 | 1.37 | 0.39 | 0.61 | 0.59 | 1.68 | 1.73 | 0.93 | 0.37 | 1.25 | 0.56 |
CORTICOSTERONE (M+NA)+ | ME211706 | 0.97 | 0.80 | 0.98 | 1.28 | 1.06 | 0.67 | 0.54 | 0.56 | 0.73 | 1.68 | 1.06 | 0.97 | 0.89 | 1.50 | 0.86 | 0.50 | 0.65 | 0.68 | 1.77 | 1.82 |
ACETAMINOPHEN (TN TYLENOL) (M+H)+ | ME211685 | 2.40 | 0.97 | 0.73 | 0.35 | 1.00 | 3.04 | 0.86 | NA | 0.77 | NA | 1.49 | 0.62 | 0.11 | NA | 1.50 | 2.85 | 0.19 | 0.01 | 0.64 | NA |
N-CYCLOHEXYLFORMAMIDE (M+H)+ | ME211756 | 1.07 | 1.08 | 1.09 | 1.06 | 1.14 | 1.08 | 0.99 | 1.80 | 0.90 | 0.79 | 0.98 | 0.48 | 0.84 | 0.89 | 1.07 | 0.76 | 1.14 | 0.36 | 0.90 | 1.09 |
OMEPRAZOLE (M+H)+ | ME211768 | 0.32 | NA | 0.79 | NA | 1.20 | 1.39 | 0.93 | 2.03 | 2.06 | 0.27 | 0.38 | 1.08 | 1.39 | 0.82 | 1.36 | 0.92 | 0.10 | 2.08 | 1.42 | 0.28 |
OLEOYL-GLYCEROL (M+H)+ | ME211766 | 1.15 | NA | 0.71 | 0.48 | 1.15 | 1.60 | 1.39 | 1.09 | 1.42 | 0.66 | 0.96 | 1.09 | 0.97 | 1.20 | 0.80 | 1.05 | 0.89 | 1.93 | 0.96 | 0.43 |
URIC ACID (M+H)+ | ME211797 | 0.76 | 1.04 | 0.81 | 0.92 | 0.93 | 0.82 | 0.57 | NA | 0.88 | NA | 1.10 | 1.12 | 1.18 | 0.95 | 1.12 | 0.96 | 1.56 | 0.88 | 1.10 | NA |
IBUPROFEN (M+NA)+ | ME211732 | 0.56 | NA | 2.69 | 0.31 | 0.14 | NA | 0.22 | NA | 0.46 | 0.08 | 0.45 | NA | 2.01 | NA | 0.19 | NA | 0.22 | NA | 1.09 | 0.14 |
PANTOTHENIC ACID (M+NA)+ | ME211775 | 0.86 | 0.98 | 0.79 | 0.54 | 1.40 | 0.88 | 1.02 | 0.20 | 0.75 | 0.69 | 0.97 | 0.81 | 1.00 | 0.68 | 1.12 | 0.95 | 1.23 | 0.63 | 1.23 | 2.72 |
CHOLINE M+ | ME211703 | 0.93 | 0.76 | 1.10 | 0.75 | 0.99 | 1.03 | 1.32 | 0.70 | 1.11 | 1.31 | 0.96 | 0.60 | 1.05 | 0.68 | 0.84 | 0.42 | 1.06 | 0.76 | 1.01 | 1.01 |
BIS(2-ETHYLHEXYL)PHTHALIC ACID (M+NA)+ | ME211697 | 0.81 | 0.74 | 0.75 | 0.92 | 0.55 | 0.32 | 0.95 | 1.13 | 0.96 | 1.11 | 1.34 | 2.97 | 0.67 | 2.17 | 0.76 | 0.35 | 1.50 | 3.29 | 2.23 | 0.69 |
IBUPROFEN CARBOXYLIC ACID (M+NA)+ | ME211734 | 0.23 | 0.01 | 2.27 | 0.03 | 0.01 | 0.02 | 0.92 | 0.01 | 0.42 | 0.02 | 0.20 | NA | 2.77 | 0.02 | 0.03 | 0.02 | 0.86 | 0.01 | 1.81 | 0.01 |
HIPPURIC ACID (M+H)+ | ME211730 | 0.90 | 0.67 | 1.29 | 0.42 | 0.98 | 0.01 | 0.59 | 0.07 | 0.99 | 1.44 | 1.25 | 0.79 | 1.11 | 1.11 | 0.83 | 0.03 | 0.73 | NA | 1.06 | 1.29 |
ALPHA-TOCOPHEROL (M+H)+ | ME211691 | 1.02 | 0.96 | 0.91 | 1.01 | 0.92 | 1.00 | 1.28 | 1.20 | 1.01 | 1.03 | 1.13 | 1.22 | 0.87 | 0.81 | 0.99 | 1.04 | 1.25 | 1.07 | 1.03 | 1.17 |
OLEAMIDE (M+H)+ | ME211763 | 0.39 | NA | NA | NA | 0.31 | NA | NA | NA | 0.42 | 0.83 | 0.08 | NA | 0.21 | 0.08 | 6.77 | NA | 0.23 | NA | 2.00 | 0.55 |
LYSINE (M+H)+ | ME211748 | 0.87 | 1.56 | 1.16 | 1.21 | 1.05 | 1.54 | 1.02 | NA | 1.03 | 0.44 | 0.75 | 2.13 | 0.93 | 0.90 | 0.98 | 1.65 | 1.16 | NA | 0.91 | 0.33 |
CHOLIC ACID (2M+NA)+ | ME211702 | 2.61 | 0.01 | 0.37 | 0.01 | 3.43 | NA | 1.36 | NA | 0.00 | NA | 0.01 | 1.02 | 0.60 | 0.07 | 1.31 | NA | NA | NA | NA | NA |
DOXYLAMINE (M+H)+ | ME211718 | 1.03 | 0.98 | 1.03 | 0.82 | 0.98 | 1.02 | 0.91 | NA | 0.97 | 1.47 | 0.89 | 0.99 | 1.04 | 1.11 | 1.02 | 1.01 | 1.02 | NA | 1.03 | 0.69 |
INDOLE-3-ACETIC ACID (M+NA)+ | ME211737 | 0.67 | 0.97 | 0.92 | 1.06 | 1.48 | 2.00 | 0.83 | 1.26 | 0.72 | 1.14 | 0.75 | 1.14 | 0.83 | 1.31 | 1.65 | 1.84 | 0.86 | 1.33 | 0.85 | 0.73 |
5-OXOPROLINE (M+H)+ | ME211683 | 0.99 | 1.03 | 0.88 | 0.90 | 1.08 | 0.95 | 0.94 | 1.51 | 1.34 | 0.93 | 0.99 | 0.75 | 0.90 | 0.85 | 1.14 | 1.05 | 0.80 | 0.94 | 1.08 | 0.90 |
PANTOTHENIC ACID (M+H)+ | ME211774 | 1.08 | 1.31 | 0.81 | 0.40 | 1.28 | 0.64 | 1.08 | 0.99 | 0.62 | 0.80 | 1.14 | 0.62 | 0.98 | 0.60 | 1.30 | 0.71 | 0.88 | 1.05 | 0.98 | 2.62 |
P-ACETAMIDOPHENYL BETA-D-GLUCURONIDE (2M+H)+ | ME211771 | 0.94 | 0.68 | 0.22 | 0.01 | 0.51 | 0.41 | 7.41 | NA | 0.01 | NA | 0.64 | 0.54 | 0.01 | NA | 1.92 | 0.35 | NA | NA | 0.01 | NA |
TRYPTOPHAN (M+H)+ | ME211793 | 0.87 | 1.03 | 1.12 | 1.01 | 1.07 | 1.10 | 0.90 | 0.80 | 0.91 | 1.24 | 0.86 | 1.07 | 1.09 | 1.00 | 1.02 | 1.10 | 0.89 | 0.80 | 0.93 | 0.90 |
5^-METHYLTHIOADENOSINE (M+H)+ | ME211681 | 0.91 | 1.08 | 0.97 | 0.82 | 1.02 | 1.06 | 1.26 | 1.01 | 0.91 | 1.27 | 1.10 | 1.26 | 0.99 | 0.70 | 0.95 | 1.14 | 0.95 | 0.72 | 1.04 | 1.11 |
CORTISONE (M+H)+ | ME211709 | 0.92 | 0.97 | 1.13 | 1.69 | 1.05 | 0.56 | 0.57 | 0.73 | 0.78 | 1.08 | 0.98 | 0.91 | 1.12 | 1.26 | 1.03 | 0.50 | 0.75 | 0.61 | 1.01 | 0.93 |
METHYL JASMONATE (M+H)+ | ME211752 | 0.71 | NA | 0.76 | NA | 1.64 | 0.67 | 0.78 | 1.10 | 0.85 | NA | 0.99 | NA | 0.67 | NA | 2.31 | NA | 1.33 | 0.99 | 0.94 | NA |
ADENOSINE 5^-MONOPHOSPHATE (M+H)+ | ME211687 | 0.68 | 0.93 | 0.87 | 0.89 | 0.77 | 0.84 | 2.55 | NA | 0.87 | NA | 1.10 | 0.65 | 0.83 | 0.88 | 1.23 | 1.36 | 1.12 | NA | 1.23 | NA |
TRYPTOPHAN (M+NA)+ | ME211794 | 0.93 | 0.89 | 1.12 | 1.10 | 1.06 | 1.01 | 0.79 | 0.74 | 0.90 | 1.22 | 0.87 | 0.92 | 1.11 | 0.95 | 0.96 | 1.02 | 0.86 | 0.76 | 1.05 | 0.82 |
CHOLESTEROL (M+H)+[-H2O] | ME211700 | 1.04 | 0.84 | 0.98 | 1.17 | 0.98 | 1.01 | 1.02 | 0.97 | 1.01 | 1.14 | 1.03 | 0.89 | 0.96 | 0.97 | 0.99 | 1.09 | 1.00 | 0.96 | 1.03 | 1.04 |
DECANOIC ACID (2M+NA)+ | ME211711 | 0.45 | NA | 1.02 | NA | 0.99 | NA | 1.74 | 1.51 | 1.32 | 0.71 | 0.84 | NA | NA | NA | 0.33 | NA | NA | 2.05 | 0.96 | NA |
HEXANOYLCARNITINE (*) M+ | ME211729 | 1.20 | 1.06 | 0.66 | 0.55 | 1.07 | 0.96 | 1.19 | 0.74 | 0.95 | 2.76 | 0.80 | 0.39 | 0.82 | 0.68 | 1.39 | 0.54 | 0.83 | 0.22 | 1.73 | 0.53 |
KYNURENINE (M+H)+ | ME211743 | 0.97 | 0.97 | 0.86 | 0.80 | 1.24 | 0.75 | 1.07 | 0.52 | 1.05 | 0.99 | 1.06 | 0.95 | 0.87 | 0.76 | 1.14 | 0.79 | 1.24 | 0.56 | 1.06 | 0.98 |
N-METHYL-GLUTAMIC ACID (M+NA)+ | ME211758 | 0.27 | 0.39 | 1.06 | 0.11 | 2.27 | 0.28 | 0.22 | 0.10 | 0.32 | NA | 0.28 | 0.42 | 0.94 | NA | 2.19 | 0.43 | 0.25 | 0.06 | 0.36 | NA |
SEROTONIN (M+H)+ | ME211785 | 0.36 | 1.02 | 0.63 | NA | 3.96 | NA | 1.56 | 0.25 | 0.56 | NA | 0.68 | 1.10 | 0.64 | NA | 1.68 | NA | 1.20 | 0.36 | 0.72 | NA |
CORTICOSTERONE (M+H)+ | ME211705 | 1.57 | 0.46 | 0.98 | 0.64 | 1.16 | NA | NA | NA | 0.82 | NA | 1.23 | 1.03 | 0.74 | NA | 0.76 | NA | 1.32 | NA | 2.13 | NA |
BILIVERDIN (M+NA)+ | ME211695 | 0.90 | 0.56 | 1.11 | 0.81 | 0.91 | 0.70 | 0.94 | 0.70 | 1.19 | 1.49 | 1.00 | 0.83 | 0.94 | 1.23 | 0.85 | 0.69 | 0.99 | 0.93 | 1.01 | 1.59 |
ADIPIC ACID (M+NA)+ | ME211689 | 1.12 | 0.80 | 0.87 | 0.64 | 0.70 | 0.67 | 0.87 | 1.05 | 1.21 | NA | 1.17 | 1.03 | 0.93 | 0.44 | 1.00 | 0.77 | 1.10 | 0.91 | 1.46 | NA |
KYNURENINE (M+NA)+ | ME211744 | 0.96 | 0.71 | 1.00 | 1.23 | 1.16 | 0.54 | 1.07 | 0.40 | 1.08 | 1.34 | 0.85 | 0.71 | 0.95 | 0.79 | 0.99 | 0.60 | 1.17 | 0.37 | 1.19 | 0.92 |
VALINE (M+H)+ | ME211799 | 1.01 | 1.18 | 1.07 | 1.27 | 0.95 | 0.96 | 1.14 | 1.55 | 1.14 | 0.60 | 0.90 | 1.03 | 0.94 | 0.80 | 1.03 | 0.96 | 0.94 | 1.16 | 0.87 | 1.13 |
HIPPURIC ACID (M+NA)+ | ME211731 | 0.79 | 0.58 | 1.28 | 0.70 | 1.07 | 0.17 | 0.63 | 1.37 | 0.99 | 1.51 | 0.94 | 0.69 | 1.08 | 1.43 | 0.81 | 0.19 | 0.81 | 1.47 | 1.00 | 1.35 |
CAFFEINE (M+NA)+ | ME211699 | 0.78 | 1.36 | 1.16 | 0.76 | 1.19 | 0.48 | 1.39 | NA | 0.65 | 1.03 | 0.78 | 0.71 | 1.27 | 2.24 | 1.01 | 0.65 | 0.98 | NA | 0.62 | 1.42 |
ISOVALERYLCARNITINE (*) (M+H)+ | ME211741 | 0.82 | 0.77 | 1.31 | 1.09 | 1.30 | 0.70 | 0.80 | 0.51 | 0.68 | 1.99 | 0.69 | 0.78 | 1.22 | 0.77 | 1.08 | 0.77 | 0.57 | 0.38 | 0.79 | 0.62 |
CITRIC ACID (M+NA)+ | ME211704 | 0.98 | 0.90 | 0.94 | 0.82 | 1.02 | 0.63 | 0.77 | 0.74 | 1.09 | 0.86 | 1.04 | 0.94 | 0.99 | 0.87 | 1.11 | 0.76 | 1.12 | 1.12 | 1.12 | 1.11 |
LUMICHROME (M+NA)+ | ME211747 | 0.94 | 0.63 | 0.99 | 0.63 | 1.92 | 3.78 | 0.72 | 0.75 | 0.74 | 0.52 | 0.69 | 0.67 | 0.77 | 0.53 | 1.54 | 3.40 | 0.67 | NA | 0.56 | 2.00 |
NAPROXEN (M+NA)+ | ME211760 | 1.78 | 1.16 | 1.23 | 1.48 | 0.58 | 1.06 | 2.04 | NA | 0.00 | 0.00 | 1.70 | NA | 0.50 | 0.94 | 0.63 | 1.03 | 2.07 | NA | 0.00 | 1.30 |
18:0 LYSO-PE (M+H)+ | ME211673 | 1.54 | 1.46 | 0.69 | 0.50 | 0.96 | 0.80 | 1.51 | 1.52 | 1.58 | 1.19 | 1.04 | 1.04 | 0.59 | 0.61 | 0.69 | 0.73 | 1.36 | 2.09 | 1.07 | NA |
L-TRYPTOPHAN-15N2 [ISTD] (M+H)+ | ME211745 | 1.02 | 0.99 | 0.94 | 0.96 | 1.05 | 0.93 | 1.02 | 0.97 | 1.00 | 0.92 | 1.03 | 0.97 | 0.96 | 0.98 | 1.09 | 0.92 | 1.06 | 1.05 | 1.00 | 0.98 |
METHYL INDOLE-3-ACETATE (M+H)+ | ME211750 | 0.62 | 0.38 | 0.65 | 1.15 | 2.34 | 0.69 | 0.98 | 0.75 | 0.61 | 0.77 | 0.69 | 0.95 | 0.59 | 1.23 | 2.65 | 0.54 | 0.63 | 0.72 | 0.85 | 0.73 |
CAFFEINE (M+H)+ | ME211698 | 0.77 | 1.51 | 1.19 | 0.96 | 1.42 | 0.47 | 0.73 | NA | 0.96 | 0.66 | 0.71 | 0.48 | 1.12 | 1.84 | 1.02 | 0.47 | 0.60 | NA | 0.74 | 1.29 |
TETRADECENOYLCARNITINE (*) M+ | ME211787 | 0.69 | 0.90 | 1.08 | 0.60 | 1.37 | NA | 0.81 | NA | 1.31 | 0.56 | 0.80 | 0.56 | 0.57 | 2.25 | 1.99 | NA | 0.91 | NA | 0.89 | 0.95 |
PROLINE (M+NA)+ | ME211779 | 0.84 | NA | 1.43 | NA | 0.77 | 0.19 | 0.22 | 0.43 | 0.67 | NA | 0.96 | NA | 1.45 | NA | 3.02 | 0.16 | 0.24 | 0.37 | 0.67 | NA |
SALICYLURIC ACID (M+H)+ | ME211782 | 1.34 | NA | 1.54 | 0.54 | 0.31 | NA | 0.12 | NA | 0.01 | NA | 0.71 | NA | 0.45 | 0.21 | 2.17 | NA | NA | NA | NA | NA |
CORTISONE (M+NA)+ | ME211710 | 0.85 | 0.96 | 1.11 | 1.55 | 1.06 | 0.93 | 0.63 | 0.74 | 0.85 | 1.11 | 0.90 | 0.93 | 1.15 | 1.19 | 1.05 | 0.45 | 0.80 | 0.70 | 0.97 | 0.92 |
BILIVERDIN (M+H)+ | ME211694 | 0.89 | 0.92 | 1.12 | 1.08 | 0.85 | 0.44 | 0.96 | 0.55 | 1.18 | 1.66 | 0.96 | 1.06 | 0.96 | 1.60 | 0.81 | 0.44 | 1.05 | 0.83 | 0.96 | 1.85 |
TYROSINE (M+H)+ | ME211795 | 0.93 | 0.88 | 1.15 | 1.04 | 1.05 | 1.01 | 0.84 | 0.80 | 0.90 | 1.25 | 0.86 | 0.98 | 1.12 | 0.88 | 1.01 | 1.02 | 0.90 | 0.88 | 0.87 | 0.85 |
ISOLEUCINE (M+NA)+ | ME211740 | 1.14 | 1.07 | 0.95 | 1.02 | 1.01 | 0.97 | 0.95 | 0.69 | 1.05 | 1.12 | 1.03 | 1.20 | 0.89 | 0.91 | 0.98 | 1.03 | 1.04 | 1.23 | 1.08 | 0.96 |
ELAIDIC ACID (M+H)+ | ME211721 | 1.44 | 1.22 | 0.72 | 0.87 | 0.97 | 1.00 | 1.22 | 1.93 | 1.42 | 1.18 | 1.08 | 1.31 | 0.64 | 0.99 | 0.77 | 1.07 | 0.95 | 1.44 | 1.19 | 1.27 |
SALICYLURIC ACID (M+NA)+ | ME211783 | 0.57 | NA | 1.55 | 0.57 | 0.16 | NA | NA | NA | 0.01 | 0.03 | 0.53 | NA | 0.15 | 0.26 | 3.23 | NA | NA | NA | 0.02 | NA |
THEOPHYLLINE (M+H)+ | ME211790 | 0.84 | 1.11 | 0.85 | 0.53 | 1.29 | 0.59 | 0.97 | NA | 0.88 | 0.57 | 0.71 | 0.66 | 1.58 | 2.15 | 0.74 | 0.61 | 0.71 | NA | 0.87 | 0.85 |
DEOXYCHOLIC ACID (M+NA)+ | ME211715 | 1.10 | 0.65 | 1.14 | 0.78 | 1.27 | 0.19 | 1.00 | 5.88 | 0.65 | 1.03 | 1.06 | 1.40 | 0.99 | 0.67 | 0.86 | 0.19 | 0.70 | 6.04 | 0.69 | 0.60 |
4-PYRIDOXIC ACID (M+NA)+ | ME211679 | 0.58 | 0.51 | 1.10 | 0.81 | 1.49 | 0.55 | 0.91 | 0.65 | 0.63 | 0.72 | 0.68 | 0.68 | 1.17 | 1.01 | 1.70 | 0.52 | 0.92 | 0.65 | 0.74 | 1.11 |
THYROXINE (M+H)+ | ME211792 | 1.07 | 1.04 | 0.97 | 0.93 | 1.02 | 0.77 | 1.05 | 0.90 | 1.00 | 0.93 | 1.08 | 1.18 | 0.96 | 0.99 | 0.96 | 0.80 | 1.03 | 0.94 | 1.04 | 0.82 |
5-HYDROXYTRYPTOPHAN (M+H)+ | ME211682 | 0.92 | 0.63 | 0.82 | 0.88 | 1.24 | 0.66 | 1.28 | 0.57 | 1.18 | NA | 1.05 | 1.32 | 0.88 | 0.83 | 1.14 | 0.76 | 1.21 | NA | 1.05 | NA |
PHENYLALANINE (M+H)+ | ME211776 | 0.98 | 0.88 | 1.00 | 1.38 | 0.98 | 0.79 | 1.09 | 0.99 | 1.03 | 0.58 | 0.96 | 0.88 | 0.95 | 0.90 | 0.99 | 0.76 | 0.98 | 0.94 | 1.26 | 1.08 |
3-METHYL-2-BUTENAL (M+NA)+ | ME211677 | 0.93 | 0.94 | 0.96 | 0.73 | 1.01 | NA | 0.89 | NA | 0.88 | 1.00 | 1.18 | 0.97 | 1.10 | 0.95 | 0.99 | NA | 1.13 | NA | 0.91 | 0.98 |
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 |