Clustering data with hclust algorithm for Polycystic Ovarian Syndrome(PCOS) metabolomics (Study ST000726)
Reversed phase POSITIVE ION MODE (Analysis AN001139)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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
SPERMIDINE (M+H)+ | ME204587 | 0.96 | 0.61 | 0.86 | 0.98 | 0.61 | 0.96 | 0.86 | 0.61 | 0.82 | 0.47 | 0.85 | 0.58 | 23.90 | 0.31 | 0.55 | 0.41 | 1.46 | NA | 0.41 | 0.48 | 0.97 | 0.28 | 0.55 | 0.39 | 0.64 | 0.45 | 1.19 | 0.62 | 1.66 | NA | 0.62 | 0.33 | 0.28 | 0.51 | 2.08 | 0.57 | 0.56 | 0.36 |
CAFFEINE (M+H)+ | ME204520 | 0.14 | 0.82 | 2.20 | 1.21 | 0.15 | 0.11 | 0.47 | 2.20 | 0.54 | 0.29 | NA | NA | 0.33 | 1.23 | NA | NA | 0.40 | 0.16 | 0.15 | 0.08 | 9.63 | 7.79 | 0.04 | 0.01 | 0.13 | 0.06 | 1.12 | 0.71 | 0.71 | 2.41 | 2.09 | 1.01 | 0.77 | 0.63 | 0.23 | 0.12 | 0.89 | 0.70 |
THEOPHYLLINE (M+H)+ | ME204591 | 0.38 | 0.56 | 0.47 | 0.36 | 0.29 | 0.22 | 0.66 | 2.15 | 0.59 | 0.35 | NA | NA | 0.43 | 0.55 | 0.08 | NA | 0.32 | 0.16 | NA | NA | 5.79 | 5.02 | 0.09 | NA | 0.08 | NA | 0.98 | 0.82 | 0.42 | 1.42 | 3.38 | 1.79 | 1.58 | 1.32 | 0.21 | NA | 0.86 | 0.72 |
THEOBROMINE (M+H)+ | ME204590 | 0.58 | 0.24 | 8.29 | 2.98 | 0.22 | 0.17 | 0.45 | 0.83 | 0.77 | 0.92 | 0.04 | 0.03 | 1.83 | 1.65 | NA | NA | 2.70 | 1.48 | 0.13 | 0.09 | 2.16 | 1.86 | 0.13 | 0.10 | 0.41 | 0.41 | 1.18 | 1.15 | 0.66 | 0.84 | 2.15 | 1.41 | 0.56 | 0.46 | 0.94 | 0.64 | 0.34 | 0.29 |
OLEOYL-GLYCEROL (M+H)+ | ME204577 | 0.15 | 0.23 | 0.32 | 0.34 | 0.29 | 1.07 | 2.27 | 1.45 | 0.69 | 0.06 | 0.66 | 0.25 | 0.96 | 2.22 | 1.13 | 0.83 | 0.07 | 0.11 | 0.16 | 0.10 | 0.44 | 0.22 | 0.17 | 2.65 | 0.16 | 0.15 | 1.38 | 2.33 | 9.60 | 0.34 | 0.44 | 0.27 | 1.76 | 1.98 | 0.21 | 0.18 | 1.15 | 1.56 |
OLEOYL-GLYCEROL (M+NA)+ | ME204579 | 0.17 | 0.18 | 0.42 | 0.33 | 0.31 | 0.45 | 3.26 | 1.45 | 0.87 | 0.09 | 0.99 | 0.28 | 1.03 | 2.09 | 1.13 | 0.75 | 0.11 | 0.08 | 0.17 | 0.12 | 0.54 | 0.20 | 0.17 | 2.41 | 0.18 | 0.16 | 1.54 | 2.19 | 9.96 | 0.22 | 0.59 | 0.22 | 2.24 | 1.85 | 0.21 | 0.20 | 1.47 | 1.49 |
GLYCEROL MYRISTATE (M+NA)+ | ME204541 | 0.66 | 0.70 | 0.62 | 0.65 | 0.54 | 0.72 | 1.29 | 1.17 | 0.53 | 0.34 | 0.89 | 0.89 | 0.80 | 2.20 | 0.89 | 0.22 | 0.56 | 0.66 | 0.68 | 0.74 | 0.71 | 0.78 | 0.61 | 0.74 | 0.64 | 0.69 | 0.99 | 1.29 | 7.59 | 0.63 | 0.65 | 0.63 | 2.60 | 2.07 | 0.53 | 0.78 | 1.11 | 1.15 |
OLEOYL-GLYCEROL (M+H)+[-H2O] | ME204578 | NA | 0.30 | 0.33 | 0.43 | 0.46 | 1.01 | 1.53 | 1.23 | 0.63 | 0.04 | 0.61 | NA | 1.19 | 1.60 | 0.94 | 0.91 | NA | 0.11 | NA | NA | 0.29 | 0.22 | NA | 2.08 | 0.22 | 0.10 | 1.05 | 1.60 | 6.30 | 0.06 | 0.89 | 0.25 | 1.41 | 1.45 | 0.22 | 0.14 | 0.97 | 1.41 |
THEOPHYLLINE (M+NA)+ | ME204592 | 0.81 | 1.12 | 0.45 | 0.79 | 0.75 | 0.53 | 1.38 | 1.14 | 0.23 | 0.70 | 0.15 | NA | 0.83 | 1.57 | 0.66 | 0.65 | 0.70 | 0.50 | 0.17 | 0.82 | 1.96 | 8.48 | 0.24 | 0.88 | 0.48 | 0.81 | 0.88 | 1.70 | 1.62 | 3.33 | 0.59 | 0.43 | 0.95 | 0.61 | 0.98 | 0.77 | 3.20 | 2.93 |
HIPPURIC ACID (M+NA)+ | ME204549 | 0.21 | 1.91 | 0.51 | 0.21 | 0.44 | 1.57 | 0.27 | 2.36 | 0.44 | 2.85 | NA | NA | NA | 2.54 | NA | 1.24 | 0.48 | NA | 0.23 | NA | 1.05 | 2.80 | 0.33 | NA | 0.34 | 0.18 | 0.26 | 1.76 | 3.20 | 4.09 | 0.27 | NA | 0.24 | 2.13 | 0.48 | NA | 0.20 | 1.07 |
3-HYDROXYBENZALDEHYDE (M+H)+[-H2O] | ME204506 | 0.31 | 1.50 | 0.76 | 0.34 | 0.61 | 1.34 | 0.45 | 3.42 | 0.65 | 2.11 | 0.14 | 0.09 | 0.21 | 1.95 | 0.14 | 2.02 | 0.72 | 0.27 | 0.35 | 0.16 | 1.63 | 4.08 | 0.49 | 0.22 | 0.45 | 0.21 | 0.27 | 2.65 | 4.41 | 5.84 | 0.40 | 0.21 | 0.20 | 3.16 | 0.73 | 0.25 | 0.34 | 1.81 |
HIPPURIC ACID (M+H)+ | ME204548 | 0.31 | 1.50 | 0.72 | 0.30 | 0.58 | 1.26 | 0.29 | 3.50 | 0.63 | 2.18 | 0.12 | 0.09 | 0.19 | 2.00 | 0.14 | 2.01 | 0.69 | 0.24 | 0.33 | 0.14 | 1.56 | 4.25 | 0.48 | 0.20 | 0.40 | 0.21 | 0.26 | 2.62 | 4.71 | 6.41 | 0.37 | 0.18 | 0.18 | 3.16 | 0.68 | 0.22 | 0.32 | 1.69 |
ACETAMINOPHEN (TN TYLENOL) (M+NA)+ | ME204512 | 0.14 | 0.10 | 0.30 | 0.28 | 0.14 | 0.12 | 0.19 | 0.17 | 0.14 | 0.10 | 0.14 | 0.11 | 0.13 | 0.10 | 0.13 | 0.12 | 0.20 | 0.18 | 0.14 | 0.15 | 0.12 | NA | 0.11 | NA | 0.13 | 7.53 | 0.14 | 0.14 | NA | NA | 0.61 | 0.41 | 0.13 | 0.15 | NA | 0.10 | 0.11 | 0.52 |
SPERMINE (M+H)+ | ME204588 | 0.87 | 0.14 | 0.79 | 5.17 | 0.36 | 0.66 | 1.09 | 0.84 | 0.37 | NA | 0.49 | 0.38 | 6.10 | 0.72 | 0.34 | 0.30 | 0.55 | NA | 0.48 | 0.43 | 0.22 | 0.31 | 0.18 | 0.15 | 0.77 | 0.87 | 1.04 | 0.80 | 0.63 | NA | 0.69 | 0.72 | 0.40 | 0.45 | 2.17 | 0.59 | 0.57 | 0.44 |
SUCROSE (M+NA)+ | ME204589 | 0.22 | 0.91 | 0.33 | 1.81 | 0.14 | 1.58 | 0.31 | 0.27 | 1.01 | 1.52 | 0.13 | 1.18 | 2.29 | 0.20 | 5.44 | 0.19 | 0.16 | 3.42 | NA | 1.86 | 0.09 | 0.10 | NA | 2.71 | 0.21 | 2.25 | 0.61 | 0.73 | 0.11 | 0.23 | 0.18 | 2.54 | 0.12 | 0.24 | 0.17 | 1.70 | 0.11 | 0.46 |
ADENOSINE 5^-MONOPHOSPHATE (M+H)+ | ME204513 | 0.59 | 0.74 | 0.52 | 1.11 | 0.62 | 6.10 | NA | NA | 0.72 | 0.64 | 0.53 | NA | 1.55 | NA | NA | 0.63 | NA | 1.70 | NA | 0.52 | 0.27 | 2.10 | NA | NA | 0.62 | 0.59 | 1.77 | 1.95 | 1.23 | 0.26 | 0.63 | 0.59 | NA | 0.93 | 1.39 | 1.75 | NA | NA |
OCTENOYLCARNITINE (*) M+ | ME204573 | 1.55 | 1.03 | 0.37 | 0.21 | 2.17 | 1.60 | 0.44 | 0.49 | 1.81 | 1.18 | 2.31 | 1.79 | 0.77 | 0.86 | 1.91 | 1.93 | 2.28 | 1.98 | 1.09 | 0.93 | 4.41 | 4.81 | 0.98 | NA | 0.81 | 0.54 | 0.66 | 0.49 | 0.93 | 1.13 | 1.35 | 0.68 | 0.58 | 0.56 | 1.18 | 0.59 | 0.54 | 0.45 |
DODECENOYLCARNITINE (*) II M+ | ME204531 | 1.08 | 0.10 | 1.01 | 0.09 | 2.56 | 0.39 | 0.54 | 0.19 | 2.05 | NA | 2.90 | 1.06 | 0.33 | 0.35 | 5.13 | 1.24 | 1.92 | NA | 1.10 | 0.18 | 3.48 | 0.77 | 1.27 | NA | 1.02 | 0.24 | 1.29 | 0.29 | 0.83 | 1.16 | 1.61 | 0.33 | 1.26 | 0.40 | 0.43 | 0.19 | 1.42 | 0.26 |
HEXANOYLCARNITINE (*) M+ | ME204547 | 2.59 | 0.68 | 1.16 | 0.31 | 2.18 | 0.65 | 0.69 | 0.35 | 1.86 | 0.46 | 2.23 | 0.94 | 1.14 | 0.94 | 3.25 | 0.95 | 2.35 | 0.37 | 1.32 | 0.34 | 3.29 | 0.97 | 1.77 | 0.23 | 1.31 | 0.31 | 1.23 | 0.53 | 0.94 | 0.54 | 1.17 | 0.42 | 1.32 | 0.62 | 1.01 | 0.44 | 1.18 | 0.53 |
CARNITINE (M+H)+ | ME204521 | 0.37 | 0.94 | 0.68 | 0.70 | 0.76 | 1.96 | 0.62 | 0.73 | 0.95 | 0.64 | 2.77 | 2.97 | 1.70 | 1.19 | 0.61 | 0.48 | 0.15 | 0.76 | 2.17 | 0.77 | 1.21 | 0.85 | 2.50 | 1.01 | 0.87 | 1.39 | 0.54 | 0.64 | 0.57 | 1.82 | 0.66 | 1.29 | 0.21 | 0.60 | 0.17 | 3.43 | 2.65 | 2.92 |
INDOLE-3-ACETALDEHYDE (M+H)+ | ME204552 | 0.61 | 0.28 | 2.44 | 2.06 | 1.01 | 1.46 | 0.32 | NA | 0.33 | 0.22 | NA | NA | 2.73 | NA | NA | NA | 0.55 | 0.41 | 0.28 | 0.76 | NA | 1.96 | NA | 0.32 | 1.23 | 1.10 | 0.13 | 0.18 | NA | NA | 0.63 | 1.00 | NA | NA | 0.65 | 0.57 | NA | 0.52 |
N-ACETYL-D-TRYPTOPHAN (M+H)+ | ME204569 | NA | 1.33 | NA | 1.57 | NA | 1.41 | NA | NA | 0.00 | 1.74 | NA | 1.44 | 1.50 | 0.00 | NA | NA | NA | 1.82 | NA | 1.65 | NA | NA | NA | 1.65 | 0.00 | 1.49 | 0.00 | 0.01 | NA | NA | 0.00 | 1.67 | 0.00 | NA | NA | 1.30 | NA | NA |
LAUROYLCARNITINE (M+H)+ | ME204563 | 0.89 | 0.48 | 0.58 | 0.41 | 1.40 | 0.98 | 0.59 | 0.69 | 1.33 | 0.47 | 0.92 | 1.59 | 0.51 | 0.41 | 2.79 | 1.87 | 1.07 | 0.54 | 0.73 | 0.58 | 1.23 | 0.69 | 1.07 | 0.80 | 0.93 | 0.64 | 1.70 | 0.89 | 1.17 | 4.63 | 1.23 | 0.97 | 1.46 | 1.07 | 0.58 | 0.43 | 0.92 | 0.54 |
GLYCOCHENODEOXYCHOLIC ACID (M+H)+ | ME204542 | 1.40 | 0.67 | 2.47 | 0.40 | 0.34 | 0.62 | 0.55 | 2.43 | 1.15 | 1.08 | 3.31 | 0.50 | 0.18 | 0.99 | 1.50 | 1.28 | 1.53 | NA | 0.40 | NA | 0.15 | 1.17 | 1.23 | NA | 0.89 | 0.31 | 0.82 | 1.28 | 2.48 | 3.73 | 0.90 | 0.36 | 0.53 | 1.22 | 0.68 | 0.25 | 0.66 | 1.18 |
GLYCOCHENODEOXYCHOLIC ACID (M+H)+[-H2O] | ME204543 | 1.61 | 0.83 | 2.76 | 0.23 | 0.44 | 0.75 | 0.68 | 2.61 | 0.75 | 0.65 | 3.30 | 0.58 | 0.18 | 1.16 | 1.77 | 1.55 | 1.71 | 0.08 | 0.47 | 0.12 | 0.22 | 1.28 | 1.43 | 0.12 | 1.03 | 0.27 | 0.95 | 1.38 | 2.70 | 3.81 | 0.85 | 0.44 | 0.65 | 1.39 | 0.91 | 0.27 | 0.78 | 1.37 |
GLYCOCHENODEOXYCHOLIC ACID (M+NA)+ | ME204544 | 1.58 | 0.83 | 2.67 | 0.24 | 0.43 | 0.73 | 0.68 | 2.53 | 0.77 | 1.31 | 3.23 | 0.60 | 0.18 | 1.16 | 1.72 | 1.42 | 1.72 | 0.12 | 0.47 | 0.12 | 0.23 | 1.21 | 1.41 | 0.12 | 1.01 | 0.28 | 0.92 | 1.34 | 2.72 | 3.83 | 0.97 | 0.43 | 0.65 | 1.37 | 0.90 | 0.29 | 0.77 | 1.35 |
METHYL BETA-D-GALACTOSIDE (M+NA)+ | ME204568 | 1.29 | 0.52 | 0.78 | 0.36 | 0.71 | 0.51 | 0.15 | 0.82 | 1.36 | 0.86 | 0.42 | 0.26 | 2.16 | 1.15 | 0.55 | 0.38 | 2.49 | 4.48 | 1.22 | 0.50 | NA | 2.14 | 1.01 | 1.56 | 0.88 | 0.64 | 1.10 | 0.68 | 0.49 | 1.00 | 1.77 | 0.67 | 1.51 | 2.13 | 0.66 | 0.53 | NA | 0.30 |
DECANOIC ACID (2M+NA)+ | ME204528 | 0.66 | 0.68 | 0.93 | 0.30 | 0.55 | 0.47 | 1.40 | 0.98 | 0.68 | 0.61 | 1.19 | 1.32 | 0.58 | 2.26 | 1.00 | 1.08 | 0.26 | NA | 0.94 | 0.98 | 0.56 | 0.38 | 0.60 | 1.04 | 0.65 | 0.79 | 0.87 | 1.01 | 4.20 | NA | 0.70 | 1.11 | 2.95 | 2.03 | 0.38 | 0.61 | 0.57 | 0.43 |
OLEAMIDE (M+H)+ | ME204574 | 0.41 | 1.36 | 0.75 | 0.65 | 1.38 | 1.73 | 1.45 | 1.00 | 0.48 | 0.19 | 0.99 | 1.01 | 2.15 | 2.77 | 1.42 | 1.80 | 0.12 | 0.19 | 0.27 | 0.29 | 1.88 | 1.58 | 0.21 | 0.54 | 0.32 | 0.29 | 1.55 | 1.32 | 2.11 | 0.12 | 0.50 | 0.28 | 1.92 | 2.36 | 0.12 | 0.18 | 1.66 | 1.92 |
OLEAMIDE (M+NA)+ | ME204575 | 0.40 | 2.09 | 0.86 | 0.67 | 1.16 | 1.38 | 1.54 | 0.90 | 0.48 | 0.26 | 1.13 | 1.14 | 1.92 | 2.20 | 1.29 | 1.62 | 0.09 | NA | 0.26 | 0.30 | 1.87 | 1.54 | 0.20 | 0.49 | 0.32 | 0.37 | 1.46 | 1.17 | 1.55 | 0.07 | 0.54 | 0.54 | 1.67 | 1.91 | 0.09 | NA | 1.56 | 1.70 |
DECENOYLCARNITINE (*) (M+H)+ | ME204529 | 2.28 | 0.87 | 0.76 | 0.52 | 1.25 | 1.17 | 0.77 | 0.90 | 1.76 | 0.58 | NA | NA | 1.56 | 1.37 | 3.79 | 1.73 | 2.58 | 0.68 | 0.85 | NA | NA | 1.73 | 0.18 | 0.16 | 1.12 | 0.56 | 0.95 | 0.67 | NA | 1.57 | 1.38 | 0.85 | 0.57 | 1.00 | 1.15 | 0.47 | 1.03 | 0.77 |
GLYCOCHOLIC ACID (M+H)+[-H2O] | ME204545 | 0.71 | 0.48 | 2.38 | 0.58 | 0.26 | 0.72 | 1.12 | 2.36 | 3.34 | 0.39 | 0.56 | 0.19 | 0.89 | 1.64 | 0.81 | 0.45 | 0.33 | NA | 1.39 | 0.30 | 0.30 | 0.84 | 0.86 | 0.14 | 1.42 | 0.46 | 0.79 | 1.25 | 1.06 | 1.91 | 0.80 | 0.35 | 0.70 | 0.72 | 1.00 | 0.52 | 1.00 | 1.34 |
CHOLINE PHOSPHATE (M+H)+ | ME204523 | 0.80 | 1.21 | 0.77 | 1.05 | NA | NA | 0.75 | 2.63 | 0.62 | 1.18 | 0.78 | NA | 1.30 | 0.76 | 0.70 | NA | 0.75 | 0.87 | 0.71 | 1.36 | NA | NA | 0.89 | 0.34 | 0.79 | 1.03 | 1.10 | 2.50 | NA | NA | 0.78 | 0.96 | 0.73 | 0.88 | 1.14 | 1.23 | 1.05 | NA |
GLUCOSE (M+NA)+ | ME204539 | 0.64 | 0.27 | 0.58 | 0.90 | 0.54 | 0.71 | 2.49 | 4.10 | 0.55 | 0.63 | 0.74 | 0.99 | 0.50 | 0.51 | 0.69 | 0.82 | 0.44 | 0.65 | 0.72 | 1.05 | 0.35 | 0.34 | 0.54 | 0.58 | 0.75 | 0.65 | 1.48 | 2.57 | 0.12 | 0.39 | 0.62 | 0.74 | 0.53 | 0.54 | 1.03 | 1.44 | 0.82 | 1.39 |
NICOTINAMIDE (M+H)+ | ME204572 | 0.97 | 0.36 | 2.15 | 2.03 | 0.68 | 0.66 | 0.39 | 0.46 | 0.84 | 0.40 | 1.08 | 0.57 | 3.69 | 0.51 | 0.88 | 0.55 | 1.04 | 0.30 | 0.99 | 0.60 | 1.13 | 0.38 | 1.23 | NA | 1.27 | 0.61 | 1.29 | 0.83 | 0.99 | 0.89 | 1.13 | 0.63 | 0.72 | 0.77 | 2.16 | 0.34 | 1.09 | 0.82 |
SN-GLYCERO-3-PHOSPHOCHOLINE (M+H)+ | ME204586 | 0.31 | 0.59 | 0.69 | 2.08 | 0.48 | 0.81 | 0.39 | 2.20 | 0.80 | 0.78 | 0.37 | 0.54 | 0.19 | 0.98 | 1.93 | 2.08 | 0.57 | 1.01 | 1.08 | NA | NA | 0.25 | 0.60 | 1.12 | 0.98 | 1.46 | 0.63 | 1.19 | 1.01 | 0.82 | 1.06 | 1.78 | 0.66 | 1.09 | 1.24 | 1.78 | 0.09 | 1.49 |
EPIANDROSTERONE (M+H)+[-H2O] | ME204534 | NA | 0.13 | 0.86 | 1.00 | NA | 0.23 | 0.98 | 1.07 | 0.75 | 0.58 | NA | NA | 0.76 | 1.38 | 0.26 | NA | 1.11 | 0.74 | 0.36 | 0.87 | 0.21 | 0.44 | 1.11 | 0.96 | 1.22 | 1.09 | 0.99 | 1.02 | 2.05 | 1.66 | 1.50 | 1.47 | 0.93 | 1.12 | 0.36 | NA | 0.35 | NA |
GLYCEROL MYRISTATE (M+H)+[-H2O] | ME204540 | 1.03 | 0.65 | 1.10 | 0.74 | 0.44 | NA | 1.47 | 1.07 | 0.32 | 0.48 | NA | 0.70 | 0.62 | 1.80 | 1.62 | 0.71 | 0.72 | 0.37 | NA | NA | 0.43 | 0.36 | 0.71 | 1.46 | 1.03 | 0.85 | 1.31 | 1.29 | 2.13 | NA | 0.94 | 0.42 | 1.22 | 0.93 | 1.03 | 1.66 | 1.35 | 0.89 |
HYPOXANTHINE (M+H)+ | ME204550 | 1.91 | 0.74 | 1.34 | 0.79 | 0.96 | 1.24 | 1.15 | 2.24 | 0.99 | 0.77 | 1.34 | 0.74 | 0.79 | 0.15 | 0.05 | 0.09 | 1.48 | 1.67 | 1.20 | 0.64 | 0.19 | 0.87 | 1.60 | 0.43 | 1.64 | 0.62 | 1.10 | 0.85 | 0.84 | 0.02 | 1.50 | 0.53 | 0.57 | 1.12 | 2.11 | 1.04 | NA | 0.02 |
ASPARAGINE (M+H)+ | ME204516 | 0.60 | 0.55 | 1.25 | 1.03 | 1.01 | 0.48 | 0.59 | 0.56 | 1.40 | 0.92 | 0.61 | NA | 1.26 | 1.39 | NA | NA | 1.97 | 0.70 | 0.99 | 0.88 | 0.75 | NA | 1.10 | 0.90 | 0.93 | 0.81 | 1.37 | 1.18 | NA | 0.74 | 0.76 | 0.56 | 1.37 | 1.05 | 1.75 | 1.24 | NA | NA |
PROPIONYLCARNITINE (*) (M+H)+ | ME204585 | 1.66 | 1.44 | 0.75 | 0.92 | 1.21 | 1.07 | 0.37 | 0.48 | 2.99 | 1.44 | 0.40 | 1.55 | 1.62 | 1.92 | 1.35 | 1.40 | 1.03 | 1.15 | 0.97 | 0.89 | 0.86 | 1.29 | 1.35 | 0.44 | 0.88 | 0.72 | 1.04 | 0.71 | 1.10 | 0.61 | 1.13 | 0.96 | 0.50 | 0.75 | 1.34 | 0.81 | 0.87 | 0.92 |
ALPHA-LINOLENIC ACID (M+NA)+ | ME204514 | 1.27 | 0.42 | 1.93 | 0.44 | 1.33 | 0.49 | 2.19 | 0.71 | 1.29 | 0.28 | 1.97 | 0.54 | 0.78 | 0.57 | 1.05 | 0.68 | 1.08 | 0.18 | 1.11 | 0.05 | 1.37 | 0.04 | 1.77 | 0.32 | 1.48 | 0.37 | 1.40 | 0.80 | 1.37 | 0.62 | 1.77 | 0.32 | 1.62 | 0.68 | 0.74 | 0.22 | 0.98 | 0.56 |
EICOSANOYLCARNITINE (*) (M+H)+ | ME204533 | 1.39 | 0.93 | 1.34 | 0.53 | 1.55 | 0.58 | 1.26 | 0.66 | 1.20 | 0.77 | 0.89 | 0.78 | 1.28 | 0.94 | 0.70 | 0.23 | 1.32 | 0.69 | NA | NA | 0.97 | NA | 1.04 | 0.86 | 1.15 | 0.31 | 1.42 | 0.97 | 1.05 | 0.79 | 1.17 | 0.56 | 0.87 | 0.56 | 1.43 | NA | 0.40 | 0.45 |
L-ARGININE (M+NA)+ | ME204561 | 0.76 | 0.97 | 1.20 | 0.83 | 1.11 | 0.87 | 2.03 | 1.72 | 0.88 | NA | 1.05 | 0.69 | 0.55 | 0.53 | 1.07 | NA | 0.97 | 0.62 | 0.85 | 0.68 | NA | 0.32 | 0.84 | 0.84 | 1.05 | 0.73 | 1.28 | 1.40 | NA | 0.52 | 0.95 | 0.80 | 0.68 | 0.44 | 1.25 | 1.16 | 1.11 | 0.71 |
VALINE (M+NA)+ | ME204602 | 1.02 | 0.55 | 0.76 | 0.63 | 0.78 | 0.57 | 3.41 | 2.59 | 0.99 | 0.56 | 1.08 | 0.70 | 0.66 | 0.55 | 1.02 | 0.60 | 0.62 | 0.40 | 1.05 | 0.71 | 0.33 | 0.27 | 1.05 | 0.51 | 0.76 | 0.60 | 1.97 | 1.68 | 0.41 | 0.31 | 0.92 | 0.80 | 0.83 | 0.52 | 1.01 | 0.66 | 0.66 | 0.41 |
N-ACETYL-DL-SERINE (M+H)+[-H2O] | ME204571 | 0.83 | 0.91 | 0.70 | 0.73 | 0.92 | 0.77 | 1.99 | 1.64 | 1.03 | 0.80 | 0.90 | 1.22 | 0.80 | 0.83 | 0.91 | 0.96 | 0.98 | 0.74 | 0.73 | 0.76 | 0.87 | 0.48 | NA | 0.66 | 0.88 | 0.77 | 1.47 | 1.39 | 1.13 | 1.03 | 0.71 | 0.84 | 1.07 | 1.00 | 0.80 | 0.85 | NA | 1.35 |
2-DEOXY-D-GLUCOSE (M+NA)+ | ME204504 | 1.21 | 1.22 | 0.78 | 1.12 | 0.65 | 0.79 | 1.85 | 1.88 | 0.43 | 0.57 | 0.35 | 0.46 | 0.79 | 0.70 | 0.78 | 0.49 | 1.06 | 1.24 | 1.05 | 1.24 | 0.70 | 0.66 | 0.69 | 1.24 | 0.99 | 1.30 | 1.01 | 1.30 | 0.75 | 0.90 | 0.76 | 1.17 | 0.72 | 0.67 | 1.03 | 1.24 | 0.92 | 0.86 |
DUMP (M+H)+ | ME204532 | 0.57 | 0.81 | 0.76 | 1.51 | 0.52 | 1.15 | 2.18 | 2.23 | 0.43 | 1.18 | 0.42 | 0.44 | 0.83 | 0.75 | 0.52 | 0.54 | 0.51 | 1.16 | 0.57 | 0.83 | 0.37 | 0.54 | 0.65 | 2.05 | 0.66 | 1.07 | 1.00 | 1.70 | 0.57 | 0.58 | 0.69 | 1.42 | 0.56 | 1.15 | 0.73 | 0.91 | 0.68 | 1.04 |
18:0 LYSO-PE (M+H)+ | ME204503 | 0.91 | 1.26 | 1.31 | 0.84 | 0.98 | 0.70 | 1.03 | 1.19 | 1.10 | NA | NA | NA | 1.13 | 0.88 | 1.57 | 1.44 | 0.96 | NA | 0.99 | 0.51 | NA | NA | 0.88 | 0.69 | 1.04 | 0.56 | 1.01 | 1.00 | 1.04 | 0.80 | 1.15 | 0.69 | 0.92 | 0.94 | 1.15 | NA | 1.21 | 1.32 |
BUTYRYLCARNITINE (*) (M+H)+ | ME204519 | 2.65 | 2.04 | 0.71 | 0.62 | 1.36 | 0.81 | 0.35 | 0.81 | 1.23 | 1.71 | 1.11 | 0.59 | 1.48 | 1.90 | 0.79 | 1.66 | 0.72 | 1.74 | 0.45 | 0.40 | 1.28 | 0.46 | 1.19 | 1.07 | 1.00 | 0.79 | 0.93 | 0.87 | 0.36 | 1.30 | 0.91 | 0.90 | 0.89 | 1.06 | 0.56 | 0.36 | 1.02 | 0.82 |
ISO-BUTYRYLCARNITINE (*) (M+H)+ | ME204554 | 2.08 | 1.61 | 0.70 | 0.74 | 1.08 | 0.80 | 0.34 | 0.73 | 1.51 | 1.35 | 0.83 | 0.33 | 1.02 | 1.61 | 0.71 | 1.21 | 1.07 | 1.37 | 0.95 | 0.98 | 1.02 | 0.62 | 0.86 | 0.78 | 1.11 | 0.86 | 1.03 | 0.93 | 0.68 | 0.94 | 0.91 | 0.96 | 0.90 | 1.36 | 1.13 | 0.86 | 1.18 | 0.93 |
CREATININE (M+H)+ | ME204525 | 0.87 | 0.63 | 0.93 | 1.07 | 1.30 | 1.41 | 0.87 | 1.70 | NA | 0.40 | NA | 1.36 | 1.19 | 1.12 | NA | 1.00 | 0.84 | 1.83 | 1.12 | 0.70 | 1.14 | 1.08 | 1.58 | 1.48 | 0.93 | 0.96 | 0.85 | 1.16 | 0.54 | 0.59 | 1.10 | 1.39 | 0.82 | 0.50 | 0.81 | 1.17 | 0.99 | 0.69 |
3-DEHYDROSHIKIMIC ACID (M+H)+[-H2O] | ME204505 | 0.87 | 1.11 | 0.62 | 1.02 | 0.90 | 1.26 | 1.13 | 1.56 | 0.88 | 1.24 | 0.54 | 0.65 | 1.44 | 1.39 | 0.86 | 1.10 | 0.97 | 1.23 | 0.99 | 1.19 | 1.42 | 0.87 | 0.84 | 1.19 | 0.66 | 1.01 | 0.90 | 1.15 | 0.76 | 0.92 | 0.75 | 1.13 | 1.02 | 0.99 | 1.06 | 1.33 | 0.98 | 1.86 |
PROLINE (M+H)+ | ME204584 | 1.11 | 0.97 | 0.96 | 1.31 | 1.35 | 1.20 | 1.03 | 1.37 | 0.73 | 0.70 | 0.01 | 0.91 | 0.94 | 1.75 | 0.01 | 1.08 | 1.31 | 1.12 | 0.95 | 0.80 | 1.64 | 1.25 | 1.42 | 0.84 | 0.90 | 0.76 | 1.20 | 0.79 | 1.46 | 0.93 | 0.96 | 0.91 | 0.83 | 0.66 | 1.14 | 1.46 | 1.85 | 1.26 |
ESTRONE (M+H)+ | ME204537 | 1.34 | 0.79 | 0.98 | 1.12 | 0.95 | 0.98 | 0.79 | 0.57 | 0.98 | 1.34 | 1.21 | 1.11 | 1.61 | 0.94 | 0.96 | 1.14 | 1.25 | 1.79 | NA | 0.72 | 1.74 | 1.12 | 0.90 | 1.20 | 1.11 | 0.81 | 1.01 | 0.97 | 0.74 | 0.66 | 1.11 | 1.01 | 0.97 | 0.80 | 0.18 | NA | 0.68 | 1.01 |
ISOLEUCINE (M+H)+ | ME204555 | 1.79 | 1.28 | 1.93 | 0.71 | 1.55 | 0.68 | 0.80 | 0.95 | 0.78 | 0.68 | 0.85 | 1.27 | 1.01 | 0.62 | 0.82 | 1.41 | 1.83 | 0.77 | 0.81 | 0.53 | 1.37 | 0.43 | 1.78 | 0.42 | 0.90 | 0.71 | 1.18 | 1.05 | 0.63 | 1.04 | 0.79 | 0.90 | 0.98 | 0.99 | 1.91 | 1.14 | 0.63 | 1.08 |
L-ARGININE (M+H)+ | ME204560 | 0.81 | 1.31 | 0.96 | 0.66 | 1.51 | 1.38 | 1.42 | 1.65 | 0.97 | 0.74 | 1.16 | NA | 1.04 | 1.33 | 1.21 | 1.19 | 0.68 | 0.76 | 1.16 | 0.67 | 1.34 | 0.89 | 1.65 | 0.94 | 0.86 | 0.67 | 1.19 | 1.09 | 1.24 | 1.74 | 1.08 | 0.63 | 0.57 | 0.63 | 0.65 | 1.34 | 1.20 | 0.47 |
5^-METHYLTHIOADENOSINE (M+H)+ | ME204508 | 1.47 | 1.00 | 1.27 | 1.20 | 0.98 | 0.75 | 1.01 | 0.78 | 1.32 | 0.79 | 1.42 | 1.06 | 1.26 | 0.95 | 0.71 | 0.37 | 1.77 | 1.14 | 1.17 | 1.23 | 0.54 | 0.78 | 1.14 | 1.12 | 1.12 | 0.99 | 0.71 | 0.77 | NA | 0.50 | 1.34 | 1.11 | 0.71 | 0.59 | 1.12 | 0.92 | NA | NA |
CYTIDINE 5^-DIPHOSPHOCHOLINE (M+K)+ | ME204527 | 1.37 | 1.04 | 1.02 | 1.31 | 0.91 | 1.06 | NA | 1.06 | 1.06 | 1.14 | 1.66 | 0.98 | 0.44 | 0.87 | 0.83 | 0.57 | 1.47 | 1.24 | 1.25 | 1.49 | 0.65 | 0.22 | 0.83 | 1.36 | 1.11 | 1.11 | 0.69 | 0.72 | 0.31 | 0.54 | 1.17 | 1.44 | 1.00 | 0.69 | 0.76 | 1.15 | 0.85 | 0.91 |
16:0-18:0 PC (M+H)+ | ME204502 | 1.39 | 1.08 | 1.51 | 0.78 | 2.15 | 0.78 | 0.86 | 1.13 | 1.56 | 0.46 | 1.09 | 0.43 | 1.63 | 1.26 | 1.11 | 0.90 | 1.50 | 0.56 | 0.95 | 0.36 | 1.22 | 0.62 | 1.17 | 0.76 | 1.17 | 0.35 | 1.22 | 0.74 | 1.02 | 1.05 | 1.29 | 0.61 | 1.33 | 0.73 | 1.20 | 0.42 | 0.94 | 0.84 |
16:0 LYSO PC (M+H)+ | ME204500 | 0.89 | 1.05 | 0.84 | 0.63 | 1.31 | 0.89 | 1.01 | 1.38 | 1.40 | 0.69 | 0.63 | 0.38 | 1.12 | 1.27 | 1.49 | 1.45 | 1.10 | 0.71 | 0.80 | 0.57 | 0.88 | 0.73 | 0.87 | 0.85 | 0.90 | 0.52 | 1.41 | 1.13 | 1.66 | 1.36 | 1.08 | 0.70 | 1.44 | 1.22 | 1.01 | 0.63 | 1.06 | 1.17 |
INDOLE-3-ACETIC ACID (M+H)+ | ME204553 | 1.71 | 1.07 | 1.02 | 0.77 | 0.91 | 0.71 | 0.51 | 0.89 | 1.09 | 0.79 | 1.31 | 1.10 | 0.85 | 0.91 | 1.19 | 1.01 | 2.02 | 1.64 | 0.85 | 0.88 | 1.31 | 1.41 | 0.76 | 0.58 | 1.02 | 0.76 | 0.86 | 0.89 | 0.72 | 0.65 | 1.39 | 1.13 | 1.28 | 1.17 | 1.60 | 1.02 | 1.58 | 1.43 |
KYNURENINE (M+NA)+ | ME204559 | 1.12 | 0.84 | 0.97 | 0.77 | 0.70 | 0.52 | 0.42 | 0.78 | 1.27 | 0.47 | 1.61 | 1.08 | 1.10 | 1.32 | 1.73 | 1.18 | 1.39 | 1.21 | 0.57 | 1.07 | 1.15 | 1.13 | 0.96 | 1.07 | 1.07 | 0.94 | 0.97 | 1.00 | 0.96 | NA | 1.34 | 1.13 | 1.22 | 0.95 | 0.50 | 0.91 | 1.31 | 0.90 |
ISOVALERYLCARNITINE (*) (M+H)+ | ME204557 | 1.39 | 1.25 | 1.17 | 0.65 | 0.85 | 0.74 | 0.63 | 0.75 | 1.64 | 0.85 | 0.93 | 0.93 | 0.74 | 0.83 | 0.94 | 1.09 | 1.35 | 0.32 | 1.41 | 0.80 | 1.57 | 0.99 | 1.68 | 0.68 | 1.20 | 0.69 | 1.09 | 1.00 | 0.50 | 0.46 | 1.37 | 0.83 | 1.50 | 0.99 | 1.72 | 0.63 | 0.88 | 0.88 |
GUANINE (M+H)+ | ME204546 | 1.30 | 0.78 | 1.14 | 0.68 | 1.06 | 0.71 | 1.56 | 0.94 | 0.97 | 0.52 | 1.15 | 0.81 | 0.91 | 0.91 | 1.27 | 0.70 | 1.48 | 0.49 | 1.00 | 0.56 | 0.94 | 0.60 | 1.46 | 0.88 | 1.10 | 0.74 | 1.64 | 1.07 | NA | 0.67 | 1.15 | 0.72 | 0.73 | 0.73 | 1.07 | 0.64 | 0.93 | 0.59 |
PANTOTHENIC ACID (M+H)+ | ME204581 | 1.10 | 1.02 | 1.07 | 1.10 | 1.19 | 1.08 | 0.76 | 0.90 | 1.69 | 1.06 | 1.37 | 1.06 | 0.99 | 0.91 | 1.10 | 1.03 | 1.14 | 1.07 | 0.91 | 0.91 | 1.52 | 1.11 | 0.95 | 0.83 | 0.96 | 0.86 | 0.99 | 0.91 | 0.17 | 0.86 | 0.98 | 1.11 | 1.25 | 1.17 | 0.73 | 0.87 | 0.75 | 0.75 |
PANTOTHENIC ACID (M+NA)+ | ME204582 | 1.09 | 0.77 | 1.10 | 1.13 | 1.10 | 1.05 | 1.00 | 0.76 | 1.55 | 1.76 | 1.28 | 1.02 | 0.98 | 0.86 | 1.05 | 0.97 | 1.16 | 1.00 | 1.04 | 0.95 | 1.42 | 0.93 | 0.43 | 0.80 | 0.99 | 0.81 | 0.99 | 1.03 | NA | 0.88 | 1.04 | 0.93 | 1.21 | 1.19 | 0.76 | 0.82 | 0.69 | 0.68 |
OLEIC ACID (M+NA)+ | ME204576 | 0.89 | 0.69 | 1.16 | 1.40 | 0.72 | 0.93 | 0.92 | 0.47 | 0.79 | 1.02 | 1.16 | 1.60 | 0.80 | 0.79 | 0.73 | 0.97 | 0.57 | 1.31 | 0.76 | 1.15 | 0.99 | 0.78 | 1.14 | 0.89 | 1.17 | 1.45 | 0.88 | 0.72 | 0.76 | 0.47 | 1.00 | 1.40 | 0.84 | 1.10 | 0.51 | 1.09 | 1.08 | 0.97 |
URIDINE (M+NA)+ | ME204600 | 0.79 | 0.84 | 0.79 | 1.09 | 1.02 | 0.76 | 1.10 | 1.07 | 0.95 | 1.24 | 0.93 | 2.04 | 1.05 | 0.97 | 1.22 | 1.17 | 0.86 | 0.50 | 0.64 | 1.07 | 0.92 | 0.43 | 0.87 | 0.80 | 1.02 | 1.06 | 1.07 | 1.20 | 0.57 | 0.97 | 0.82 | 1.06 | 1.15 | 0.91 | 0.67 | 1.02 | 1.14 | 0.60 |
URIC ACID (M+H)+ | ME204597 | 0.99 | 0.95 | 1.15 | 1.20 | 0.81 | 0.91 | 1.20 | 1.28 | 1.01 | 1.07 | 1.36 | 1.61 | 0.95 | 0.83 | 0.93 | 0.82 | 1.08 | 1.26 | 0.85 | 1.06 | 1.00 | 1.02 | 0.73 | 0.99 | 0.96 | 1.12 | 0.88 | 0.99 | 0.68 | 0.97 | 1.04 | 1.16 | 0.82 | 0.92 | 0.75 | 0.75 | 0.74 | 0.65 |
URIC ACID (M+NA)+ | ME204598 | 0.77 | 0.68 | 1.06 | 1.29 | 0.76 | 0.91 | 1.40 | 1.67 | 1.15 | 0.96 | 1.27 | 1.57 | 0.84 | 0.57 | 0.84 | 0.89 | 1.26 | 1.25 | 0.93 | 1.06 | 0.91 | 0.91 | 0.53 | 1.12 | 0.94 | 1.06 | 1.01 | 1.18 | 0.63 | 0.94 | 0.95 | 1.20 | 0.86 | 0.77 | 0.66 | 0.75 | 0.56 | 0.64 |
ALPHA-TOCOPHEROL (M+H)+ | ME204515 | 1.04 | 0.87 | 1.26 | 1.23 | 0.87 | 0.57 | 0.87 | 0.94 | 0.87 | 0.75 | 1.18 | 1.30 | 0.66 | 0.89 | 0.81 | NA | 0.98 | 1.04 | 1.16 | 0.97 | 0.75 | 0.70 | 1.14 | 1.55 | 1.35 | 1.06 | 1.00 | 0.94 | 0.54 | 0.84 | 1.24 | 1.10 | 0.89 | 0.44 | 1.02 | 1.08 | 1.00 | 0.57 |
CYSTATHIONINE (M+H)+ | ME204526 | 1.22 | 1.03 | 0.99 | 1.03 | 1.02 | 0.89 | 1.37 | 1.29 | 1.07 | 0.95 | 1.13 | 0.62 | 0.94 | 0.89 | 0.89 | NA | 1.19 | 1.02 | 1.08 | 1.16 | 0.56 | 0.55 | 1.02 | 0.93 | 1.00 | 1.05 | 0.98 | 1.19 | 0.43 | 0.57 | 0.94 | 1.00 | 0.86 | 0.86 | 0.95 | 0.92 | 0.94 | 1.12 |
ORNITHINE (M+H)+ | ME204580 | 0.89 | 0.82 | 1.08 | 0.68 | 0.80 | 0.69 | 1.27 | 1.01 | 0.99 | 0.59 | 1.34 | NA | 0.89 | 1.04 | 1.34 | 1.09 | 1.40 | 0.66 | 1.10 | 0.76 | 1.04 | 0.94 | 0.96 | 0.58 | 1.01 | 0.67 | 1.44 | 1.12 | 1.36 | 1.13 | 1.23 | 0.82 | 1.05 | 1.02 | 1.14 | 0.80 | 1.09 | 0.66 |
1-METHYLADENOSINE (M+H)+ | ME204498 | 0.71 | 0.74 | 1.23 | 1.28 | 0.68 | 0.66 | 1.06 | 1.69 | 1.01 | 0.79 | 0.99 | 1.14 | 0.70 | 0.83 | 1.03 | 1.07 | 0.92 | 0.72 | 1.19 | 1.15 | 0.78 | 0.66 | 0.92 | 0.99 | 0.90 | 0.88 | 1.17 | 1.34 | 1.12 | 0.90 | 0.92 | 0.90 | 1.17 | 1.19 | 0.72 | 0.77 | 0.94 | 0.78 |
5-OXOPROLINE (M+H)+ | ME204510 | 0.82 | 1.02 | 0.75 | 0.86 | 0.93 | 0.80 | 1.64 | 1.45 | 1.02 | 0.81 | 1.03 | 0.81 | 0.87 | 0.90 | 1.13 | 1.29 | 0.89 | 0.72 | 0.79 | 1.00 | 0.94 | 0.72 | 0.68 | 0.66 | 0.84 | 0.79 | 1.40 | 1.21 | 1.28 | 0.83 | 0.75 | 0.82 | 1.17 | 1.16 | 0.90 | 0.83 | 1.08 | 1.39 |
LYSINE (M+H)+ | ME204564 | 0.92 | 0.92 | 1.10 | 0.80 | 0.68 | 0.63 | 1.40 | 1.30 | 0.88 | 0.69 | 0.87 | 0.68 | 0.94 | 1.06 | 0.94 | 1.00 | 1.05 | 0.68 | 1.25 | 1.06 | 0.99 | 0.82 | 0.89 | 0.64 | 1.00 | 0.78 | 1.37 | 1.24 | 1.17 | 1.00 | 1.15 | 0.92 | 0.95 | 0.94 | 1.14 | 0.94 | 1.02 | 0.67 |
LYSINE (M+NA)+ | ME204565 | 0.85 | 0.91 | 1.04 | 0.78 | 0.84 | 0.62 | 1.56 | 1.52 | 0.91 | 0.70 | 0.83 | 0.66 | 0.87 | 1.03 | 0.94 | 0.91 | 0.93 | 0.66 | 1.21 | 1.02 | 0.81 | 0.82 | 0.78 | 0.57 | 0.93 | 0.80 | 1.41 | 1.35 | 1.06 | 0.85 | 1.06 | 0.89 | 0.95 | 0.89 | 1.16 | 0.82 | 1.08 | 0.65 |
3-METHOXYTYROSINE (M+H)+ | ME204507 | 1.21 | 1.20 | 1.03 | 0.79 | 1.09 | 1.06 | 0.56 | 0.97 | 0.96 | 0.79 | 0.96 | 0.88 | 0.76 | 1.19 | 0.83 | 0.79 | 0.98 | 0.74 | 1.07 | 1.11 | 1.03 | 0.97 | 1.38 | 1.22 | 0.97 | 0.97 | 0.80 | 0.77 | 0.85 | 1.29 | 1.38 | 1.40 | 1.37 | 1.20 | 1.38 | 1.20 | 1.19 | 1.06 |
CITRIC ACID (M+NA)+ | ME204524 | 1.19 | 1.07 | 1.27 | 0.79 | 1.12 | 1.32 | 0.55 | 1.27 | 1.45 | 1.12 | 1.19 | 0.91 | 0.75 | 1.03 | 0.84 | 0.74 | 1.40 | 1.08 | 1.23 | 0.83 | 1.37 | 1.11 | 1.36 | 1.36 | 1.06 | 0.93 | 0.76 | 0.70 | 0.87 | 1.26 | 1.18 | 0.91 | 1.02 | 0.96 | 1.37 | 1.13 | 1.12 | 0.73 |
TYROSINE (M+NA)+ | ME204596 | 0.93 | 1.27 | 1.14 | 0.87 | 1.09 | 1.08 | 0.85 | 0.90 | 1.17 | 0.54 | 1.39 | 1.06 | 0.90 | 0.80 | 1.85 | 1.16 | 1.41 | 0.78 | 1.33 | 1.03 | 0.89 | 0.66 | 1.35 | 1.13 | 1.13 | 0.98 | 0.90 | 0.87 | 0.97 | 0.67 | 1.09 | 1.00 | 1.08 | 0.80 | 0.86 | 1.08 | 1.15 | 1.01 |
ISOLEUCINE (M+NA)+ | ME204556 | 1.30 | 0.86 | 1.34 | 0.74 | 1.14 | 0.67 | 0.96 | 0.95 | 1.41 | 0.65 | 1.99 | 0.87 | 0.83 | 0.97 | 1.38 | 0.90 | 1.26 | 0.50 | 1.42 | 0.80 | 0.99 | 0.57 | 1.45 | 0.63 | 1.30 | 0.65 | 1.11 | 0.89 | 0.98 | 0.62 | 1.36 | 0.76 | 1.18 | 0.81 | 1.29 | 0.75 | 1.06 | 0.72 |
METHIONINE (M+H)+ | ME204567 | 1.38 | 0.94 | 1.32 | 0.75 | 1.07 | 0.77 | 0.77 | 1.06 | 1.21 | 0.63 | 1.05 | 0.68 | 0.88 | 0.97 | 1.25 | 0.86 | 1.55 | 0.59 | 1.23 | 0.68 | 1.09 | 0.74 | 1.52 | 0.84 | 1.30 | 0.67 | 1.17 | 0.88 | 0.90 | 0.88 | 1.38 | 0.80 | 1.03 | 0.75 | 1.54 | 0.82 | 1.09 | 0.70 |
TYROSINE (M+H)+ | ME204595 | 1.25 | 0.97 | 1.30 | 0.84 | 1.03 | 0.79 | 0.83 | 0.90 | 0.83 | 0.48 | 1.27 | 0.95 | 0.70 | 0.81 | 1.57 | 1.20 | 1.09 | 0.54 | 1.25 | 0.93 | 0.76 | 0.59 | 1.15 | 0.80 | 1.27 | 0.85 | 1.14 | 0.86 | 1.30 | 0.71 | 1.35 | 0.96 | 1.07 | 0.83 | 1.29 | 0.94 | 1.45 | 0.75 |
VALINE (M+H)+ | ME204601 | 1.12 | 0.84 | 1.21 | 0.89 | 0.97 | 0.71 | 1.25 | 1.03 | 1.19 | 0.75 | 1.41 | 1.15 | 0.84 | 0.92 | 1.30 | 1.02 | 1.08 | 0.61 | 1.27 | 0.95 | 0.80 | 0.61 | 1.03 | 0.70 | 1.17 | 0.80 | 1.12 | 0.95 | 1.05 | 0.68 | 1.20 | 0.91 | 1.19 | 0.85 | 1.11 | 0.85 | 0.94 | 0.74 |
URIDINE (M+H)+ | ME204599 | 1.19 | 1.08 | 1.14 | 0.95 | 1.10 | 0.94 | 0.77 | 0.89 | 1.01 | 0.91 | 1.09 | 1.17 | 0.81 | 0.83 | 1.10 | 1.20 | 1.08 | 0.71 | 1.11 | 1.11 | 0.91 | 0.69 | 1.11 | 1.01 | 1.17 | 0.96 | 1.05 | 0.94 | 1.06 | 0.82 | 1.20 | 1.00 | 0.95 | 0.79 | 1.08 | 0.94 | 0.87 | 0.84 |
5-AMINOPENTANOIC ACID (M+H)+ | ME204509 | 1.19 | 0.91 | 1.21 | 0.92 | 1.08 | 0.90 | 0.70 | 0.97 | 1.22 | 0.79 | 1.35 | 1.17 | 0.90 | 1.03 | 1.20 | 1.10 | 1.24 | 0.76 | 1.33 | 0.95 | 0.87 | 0.74 | 1.17 | 0.74 | 1.19 | 0.86 | 1.04 | 0.96 | 1.00 | 0.71 | 1.18 | 0.91 | 1.02 | 0.84 | 1.09 | 0.94 | 1.00 | 0.78 |
1-METHYLXANTHINE (M+H)+ | ME204499 | 1.15 | 0.93 | 1.18 | 0.85 | 0.96 | 0.80 | 0.71 | 0.98 | 1.13 | 0.80 | 1.11 | 0.81 | 0.86 | 0.89 | 1.32 | 1.10 | 1.36 | 0.93 | 1.25 | 0.93 | 1.10 | 0.91 | 1.08 | 0.81 | 1.18 | 0.83 | 1.09 | 0.92 | 1.10 | 0.72 | 1.31 | 0.97 | 1.11 | 0.93 | 1.20 | 0.81 | 1.06 | 0.79 |
TRYPTOPHAN (M+H)+ | ME204593 | 1.14 | 0.87 | 1.27 | 0.84 | 0.95 | 0.80 | 0.66 | 1.07 | 1.25 | 0.93 | 1.05 | 0.81 | 0.83 | 1.04 | 1.37 | 1.06 | 1.18 | 0.72 | 1.30 | 0.90 | 0.73 | 0.67 | 1.03 | 0.81 | 1.21 | 0.87 | 1.11 | 1.00 | 1.09 | 0.68 | 1.24 | 0.92 | 1.07 | 0.92 | 1.16 | 0.84 | 0.86 | 0.67 |
TRYPTOPHAN (M+NA)+ | ME204594 | 1.12 | 0.87 | 1.25 | 0.88 | 0.95 | 0.80 | 0.66 | 1.07 | 1.22 | 0.93 | 1.04 | 0.82 | 0.86 | 1.03 | 1.30 | 1.04 | 1.16 | 0.74 | 1.27 | 0.94 | 0.75 | 0.70 | 1.02 | 0.84 | 1.18 | 0.89 | 1.09 | 1.00 | 1.05 | 0.74 | 1.23 | 0.95 | 1.07 | 0.94 | 1.17 | 0.88 | 0.90 | 0.70 |
PIPECOLIC ACID (M+H)+ | ME204583 | 1.07 | 1.09 | 1.47 | 1.20 | 0.89 | 0.90 | 0.93 | 0.94 | 1.18 | 0.88 | 0.57 | 0.71 | 0.97 | 1.16 | 0.85 | 0.78 | 1.36 | 1.14 | 1.06 | 0.94 | 0.87 | 0.80 | 1.10 | 1.12 | 0.91 | 0.91 | 1.22 | 1.24 | 0.60 | 1.08 | 0.80 | 0.87 | 0.84 | 0.88 | 0.59 | 0.76 | 1.08 | 0.93 |
KYNURENINE (M+H)+ | ME204558 | 1.24 | 1.10 | 1.17 | 0.97 | 0.63 | 0.64 | 0.56 | 0.92 | 1.01 | 0.80 | 1.35 | 1.23 | 1.00 | 1.27 | 1.54 | 1.41 | 1.19 | 1.02 | 1.08 | 1.09 | 0.96 | 1.08 | 1.00 | 0.94 | 1.01 | 0.93 | 0.96 | 1.02 | 0.87 | 0.89 | 1.15 | 1.09 | 1.07 | 1.02 | 0.81 | 0.80 | 1.21 | 1.05 |
BIS(2-ETHYLHEXYL)PHTHALIC ACID (M+H)+ | ME204517 | 0.90 | 0.85 | 0.87 | 1.10 | 0.79 | 0.72 | 0.91 | 1.06 | 0.92 | 0.89 | 1.15 | 1.26 | 1.41 | 1.03 | 1.23 | 1.11 | 0.76 | 1.40 | 1.15 | 1.09 | 1.00 | 0.98 | 1.22 | 1.29 | 1.02 | 0.80 | 1.11 | 1.01 | 0.97 | 1.03 | 1.20 | 0.92 | 1.20 | 1.05 | 0.79 | 0.82 | 0.87 | 0.77 |
BIS(2-ETHYLHEXYL)PHTHALIC ACID (M+NA)+ | ME204518 | 0.86 | 0.75 | 1.03 | 1.16 | 0.71 | 0.67 | 1.05 | 1.11 | 0.89 | 0.75 | 1.19 | 1.22 | 1.32 | 0.97 | 1.09 | 0.90 | 0.85 | 1.12 | 1.24 | 0.97 | 0.95 | 0.82 | 1.08 | 1.09 | 1.06 | 0.78 | 1.14 | 1.09 | 1.01 | 0.82 | 1.29 | 0.96 | 1.24 | 1.01 | 0.80 | 0.72 | 0.86 | 0.79 |
CHOLESTEROL (M+H)+[-H2O] | ME204522 | 1.03 | 0.91 | 1.14 | 1.02 | 0.99 | 0.99 | 1.00 | 1.05 | 1.01 | 0.72 | 1.14 | 1.03 | 1.16 | 1.04 | 1.03 | 0.99 | 1.21 | 0.98 | 1.08 | 0.81 | 1.34 | 1.02 | 1.22 | 1.22 | 1.15 | 0.78 | 1.06 | 0.94 | 0.99 | 1.10 | 0.97 | 0.85 | 0.96 | 0.81 | 1.12 | 0.90 | 1.16 | 1.11 |
16:0 LYSO PC (M+NA)+ | ME204501 | 1.12 | 1.07 | 1.07 | 0.99 | 1.22 | 1.07 | 1.00 | 0.98 | 0.88 | 0.92 | 1.04 | 0.75 | 0.92 | 0.94 | 0.81 | 0.78 | 1.17 | 1.07 | 1.10 | 1.02 | 1.17 | 1.12 | 1.13 | 1.12 | 1.12 | 0.93 | 0.87 | 0.90 | 0.81 | 1.18 | 1.15 | 1.02 | 0.93 | 0.88 | 1.16 | 1.02 | 1.17 | 1.21 |
ETHYL 3-UREIDOPROPIONATE (M+H)+ | ME204538 | 0.98 | 1.08 | 0.93 | 1.02 | 1.02 | 1.13 | 0.82 | 1.00 | 1.02 | 1.09 | 0.98 | 0.87 | 1.03 | 1.05 | 0.96 | 0.98 | 1.02 | 1.08 | 1.00 | 1.10 | 1.06 | 1.11 | 1.04 | 1.04 | 0.98 | 1.00 | 0.95 | 1.00 | 1.01 | 1.11 | 0.95 | 1.03 | 1.01 | 1.05 | 0.93 | 1.02 | 1.02 | 1.08 |
ZEATIN [ISTD] (M+H)+ | ME204603 | 1.08 | 1.07 | 0.99 | 0.96 | 1.05 | 1.09 | 0.81 | 1.06 | 1.03 | 1.07 | 1.04 | 0.83 | 1.06 | 1.07 | 1.05 | 1.05 | 1.08 | 1.03 | 1.03 | 1.04 | 1.07 | 1.05 | 1.05 | 1.07 | 0.98 | 0.95 | 0.99 | 1.00 | 1.01 | 1.02 | 0.97 | 0.98 | 0.99 | 1.01 | 1.02 | 0.96 | 0.98 | 1.04 |
EPIBRASSINOLIDE [ISTD] (M+NA)+ | ME204536 | 1.05 | 1.03 | 0.95 | 0.96 | 1.04 | 1.03 | 0.86 | 1.01 | 0.97 | 1.01 | 1.06 | 0.91 | 1.03 | 1.03 | 1.00 | 0.96 | 1.06 | 1.02 | 1.03 | 1.05 | 1.03 | 1.02 | 1.05 | 1.04 | 1.00 | 0.97 | 1.00 | 1.00 | 1.03 | 0.99 | 1.00 | 1.01 | 1.05 | 1.02 | 1.02 | 1.02 | 1.01 | 1.04 |
EPIBRASSINOLIDE [ISTD] (M+H)+ | ME204535 | 1.03 | 1.04 | 0.98 | 1.00 | 1.04 | 1.05 | 0.76 | 1.01 | 1.00 | 1.06 | 1.06 | 0.83 | 1.02 | 1.04 | 0.98 | 0.98 | 1.07 | 1.04 | 1.04 | 1.08 | 1.03 | 1.03 | 1.01 | 1.05 | 1.00 | 0.98 | 0.98 | 0.99 | 1.02 | 0.99 | 1.01 | 1.05 | 1.03 | 1.03 | 1.02 | 1.01 | 0.99 | 1.04 |
L-TRYPTOPHAN-15N2 [ISTD] (M+H)+ | ME204562 | 1.01 | 1.06 | 0.94 | 1.01 | 1.02 | 1.07 | 0.79 | 1.00 | 1.00 | 1.09 | 1.05 | 0.87 | 1.04 | 1.04 | 0.95 | 0.97 | 1.05 | 1.07 | 1.00 | 1.09 | 1.09 | 1.07 | 0.99 | 1.06 | 0.97 | 1.00 | 0.97 | 1.00 | 1.03 | 1.05 | 0.98 | 1.05 | 1.00 | 1.04 | 0.99 | 1.03 | 1.01 | 1.07 |
Factors:
F1 | AGE:12 | Assay:BC TP | DISEASE_STATE:Control | Timepoint:- |
F2 | AGE:12 | Assay:BC TP | DISEASE_STATE:Control | Timepoint:270 |
F3 | AGE:12 | Assay:BC TP | DISEASE_STATE:PCOS | Timepoint:- |
F4 | AGE:12 | Assay:BC TP | DISEASE_STATE:PCOS | Timepoint:270 |
F5 | AGE:12 | Assay:OGTT | DISEASE_STATE:Control | Timepoint:- |
F6 | AGE:12 | Assay:OGTT | DISEASE_STATE:Control | Timepoint:120 |
F7 | AGE:12 | Assay:OGTT | DISEASE_STATE:PCOS | Timepoint:- |
F8 | AGE:12 | Assay:OGTT | DISEASE_STATE:PCOS | Timepoint:120 |
F9 | AGE:13 | Assay:BC TP | DISEASE_STATE:Control | Timepoint:- |
F10 | AGE:13 | Assay:BC TP | DISEASE_STATE:Control | Timepoint:270 |
F11 | AGE:13 | Assay:BC TP | DISEASE_STATE:PCOS | Timepoint:- |
F12 | AGE:13 | Assay:BC TP | DISEASE_STATE:PCOS | Timepoint:270 |
F13 | AGE:13 | Assay:OGTT | DISEASE_STATE:Control | Timepoint:- |
F14 | AGE:13 | Assay:OGTT | DISEASE_STATE:Control | Timepoint:120 |
F15 | AGE:13 | Assay:OGTT | DISEASE_STATE:PCOS | Timepoint:- |
F16 | AGE:13 | Assay:OGTT | DISEASE_STATE:PCOS | Timepoint:120 |
F17 | AGE:14 | Assay:BC TP | DISEASE_STATE:Control | Timepoint:- |
F18 | AGE:14 | Assay:BC TP | DISEASE_STATE:Control | Timepoint:270 |
F19 | AGE:14 | Assay:BC TP | DISEASE_STATE:PCOS | Timepoint:- |
F20 | AGE:14 | Assay:BC TP | DISEASE_STATE:PCOS | Timepoint:270 |
F21 | AGE:14 | Assay:OGTT | DISEASE_STATE:Control | Timepoint:- |
F22 | AGE:14 | Assay:OGTT | DISEASE_STATE:Control | Timepoint:120 |
F23 | AGE:15 | Assay:BC TP | DISEASE_STATE:Control | Timepoint:- |
F24 | AGE:15 | Assay:BC TP | DISEASE_STATE:Control | Timepoint:270 |
F25 | AGE:15 | Assay:BC TP | DISEASE_STATE:PCOS | Timepoint:- |
F26 | AGE:15 | Assay:BC TP | DISEASE_STATE:PCOS | Timepoint:270 |
F27 | AGE:15 | Assay:OGTT | DISEASE_STATE:PCOS | Timepoint:- |
F28 | AGE:15 | Assay:OGTT | DISEASE_STATE:PCOS | Timepoint:120 |
F29 | AGE:15 | Assay:OGTT | DISEASE_STATE:PCOS | Timepoint:30 |
F30 | AGE:15 | Assay:OGTT | DISEASE_STATE:PCOS | Timepoint:90 |
F31 | AGE:16 | Assay:BC TP | DISEASE_STATE:PCOS | Timepoint:- |
F32 | AGE:16 | Assay:BC TP | DISEASE_STATE:PCOS | Timepoint:270 |
F33 | AGE:16 | Assay:OGTT | DISEASE_STATE:PCOS | Timepoint:- |
F34 | AGE:16 | Assay:OGTT | DISEASE_STATE:PCOS | Timepoint:120 |
F35 | AGE:17 | Assay:BC TP | DISEASE_STATE:PCOS | Timepoint:- |
F36 | AGE:17 | Assay:BC TP | DISEASE_STATE:PCOS | Timepoint:270 |
F37 | AGE:17 | Assay:OGTT | DISEASE_STATE:PCOS | Timepoint:- |
F38 | AGE:17 | Assay:OGTT | DISEASE_STATE:PCOS | Timepoint:120 |