Clustering data with hclust algorithm for Polycystic Ovarian Syndrome(PCOS) metabolomics (Study ST000726)
Reversed phase NEGATIVE ION MODE (Analysis AN001138)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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
THEOPHYLLINE (M-H)- | ME204485 | 0.42 | 0.72 | 0.80 | 1.02 | 0.40 | 0.46 | 1.22 | 1.79 | 0.99 | 0.97 | NA | NA | 0.47 | 1.23 | 0.23 | 0.24 | 0.33 | 0.33 | 0.34 | 0.29 | 5.61 | 5.57 | 0.29 | 0.23 | 0.17 | 0.22 | 1.05 | 0.78 | 0.96 | 2.81 | 2.49 | 2.26 | 0.94 | 0.84 | 0.35 | 0.32 | 1.51 | 1.33 |
DEOXYCHOLIC ACID (2M-H)- | ME204447 | 3.78 | 0.57 | 2.19 | 0.66 | 0.26 | 0.26 | 5.68 | 1.50 | 3.90 | 0.29 | NA | 0.18 | NA | 4.78 | 0.07 | 0.05 | NA | NA | 1.33 | NA | 0.80 | 0.26 | 0.08 | 0.14 | 1.10 | 0.31 | 0.43 | 0.31 | 0.36 | 0.26 | 0.64 | 0.27 | 0.74 | 0.38 | 1.42 | 0.47 | 1.36 | 0.93 |
3-METHYLXANTHINE (M-H)- | ME204433 | 0.63 | 0.27 | 5.74 | 4.45 | 0.29 | 0.19 | 0.79 | 0.92 | 0.69 | 0.58 | 0.07 | 0.06 | 2.02 | 1.77 | 0.09 | 0.06 | 2.70 | 2.01 | 0.23 | 0.16 | 2.19 | 2.06 | 0.15 | 0.12 | 0.86 | 0.40 | 1.23 | 1.16 | 0.61 | 1.08 | 2.18 | 1.57 | 0.63 | 0.56 | 0.34 | 0.25 | 0.13 | 0.11 |
S-ADENOSYL-L-HOMOCYSTEINE (M-H)- | ME204481 | 0.25 | 0.42 | 1.37 | 1.05 | 0.55 | 0.29 | 0.76 | 1.03 | 0.19 | 0.07 | 1.07 | 0.65 | 0.15 | 0.04 | 0.11 | 0.13 | 0.02 | 0.16 | 0.34 | 2.27 | 0.06 | 0.03 | 0.75 | 0.39 | 2.30 | 1.76 | 0.33 | 0.90 | 0.97 | 0.10 | 1.81 | 1.97 | 0.29 | 0.98 | 0.53 | 2.69 | 5.11 | 2.09 |
ERUCIC ACID (M-H)- | ME204453 | 2.13 | 0.62 | 1.70 | 0.33 | 1.48 | 0.52 | 1.52 | 0.57 | 1.78 | 0.29 | 1.44 | 0.24 | 1.22 | 1.04 | 0.97 | 0.52 | 4.74 | 0.27 | 1.36 | 0.29 | 2.75 | 0.40 | 2.13 | 0.46 | 1.37 | 0.25 | 1.36 | 0.64 | 1.79 | 0.47 | 0.99 | 0.25 | 1.16 | 0.45 | 1.20 | 0.30 | 0.99 | 0.83 |
DOCOSAHEXAENOIC ACID (M-H)- | ME204451 | 1.47 | 0.31 | 1.82 | 0.38 | 1.70 | 0.38 | 2.40 | 0.63 | 1.80 | 0.23 | 1.07 | 0.19 | 0.64 | 0.57 | 0.89 | 0.42 | 1.30 | 0.14 | 1.34 | 0.22 | 1.55 | 0.24 | 2.07 | 0.48 | 1.40 | 0.25 | 1.83 | 0.80 | 1.53 | 0.53 | 1.13 | 0.23 | 1.71 | 0.49 | 0.59 | 0.21 | 1.41 | 0.56 |
ARACHIDONIC ACID (M-H)- | ME204441 | 0.77 | 0.47 | 1.29 | 0.35 | 1.15 | 0.45 | 2.33 | 1.07 | 1.55 | 0.36 | 0.76 | 0.25 | 0.94 | 0.72 | 1.23 | 0.87 | 1.28 | 0.23 | 1.01 | 0.25 | 0.68 | 0.49 | 0.94 | 0.40 | 1.16 | 0.28 | 2.00 | 1.07 | 1.80 | 0.68 | 1.04 | 0.32 | 2.08 | 0.93 | 0.45 | 0.22 | 1.26 | 0.82 |
LINOLEIC ACID (M-H)- | ME204465 | 0.54 | 0.27 | 2.18 | 0.23 | 1.26 | 0.27 | 2.22 | 0.49 | 1.68 | 0.14 | 0.72 | 0.24 | 1.17 | 1.00 | 1.32 | 0.53 | 1.86 | 0.07 | 1.67 | 0.15 | 0.51 | 0.19 | 1.15 | 0.29 | 1.76 | 0.16 | 1.83 | 0.55 | 2.10 | 0.29 | 1.53 | 0.18 | 1.87 | 0.44 | 1.04 | 0.18 | 1.42 | 0.51 |
CIS-11-EICOSENOIC ACID (M-H)- | ME204443 | 2.36 | 0.30 | 1.69 | 0.13 | 1.77 | 0.22 | 1.96 | 0.26 | 2.66 | 0.12 | 2.19 | 0.10 | 1.42 | 0.92 | 0.91 | 0.33 | 1.89 | 0.08 | 1.22 | 0.09 | 3.59 | 0.18 | 2.82 | 0.12 | 1.40 | 0.09 | 1.64 | 0.45 | 1.96 | 0.24 | 1.26 | 0.09 | 1.64 | 0.28 | 1.28 | 0.09 | 1.04 | 0.37 |
OLEIC ACID (M-H)- | ME204473 | 2.26 | 0.18 | 1.93 | 0.13 | 1.71 | 0.13 | 1.97 | 0.26 | 2.42 | 0.08 | 2.34 | 0.11 | 1.19 | 0.84 | 0.86 | 0.23 | 1.84 | 0.05 | 1.48 | 0.07 | 2.67 | 0.12 | 2.75 | 0.13 | 1.63 | 0.09 | 1.65 | 0.37 | 1.55 | 0.15 | 1.49 | 0.11 | 1.82 | 0.26 | 1.01 | 0.10 | 1.16 | 0.28 |
PALMITIC ACID (M-H)- | ME204476 | 2.08 | 0.28 | 1.84 | 0.24 | 1.63 | 0.25 | 2.11 | 0.37 | 2.40 | 0.23 | 2.16 | 0.27 | 1.17 | 0.81 | 0.86 | 0.36 | 1.35 | 0.17 | 1.34 | 0.20 | 2.52 | 0.21 | 3.13 | 0.23 | 1.45 | 0.21 | 1.59 | 0.49 | 1.61 | 0.22 | 1.26 | 0.25 | 1.66 | 0.34 | 0.66 | 0.19 | 1.04 | 0.34 |
LAURIC ACID (M-H)- | ME204464 | 1.32 | 0.38 | 1.57 | 0.34 | 1.47 | 0.35 | 1.40 | 0.53 | 1.98 | 0.39 | 2.27 | 0.41 | 1.02 | 0.97 | 1.24 | 0.47 | 2.11 | 0.29 | 1.29 | 0.29 | 1.78 | 0.35 | 2.26 | 0.32 | 1.30 | 0.31 | 1.50 | 0.49 | 1.07 | 0.48 | 1.70 | 0.34 | 2.38 | 0.65 | 0.74 | 0.35 | 1.39 | 0.48 |
MYRISTOLEIC ACID (M-H)- | ME204469 | 1.41 | 0.16 | 1.97 | 0.17 | 0.97 | 0.10 | 1.57 | 0.32 | 2.17 | 0.15 | 3.36 | 0.23 | 0.97 | 0.92 | 1.06 | 0.29 | 2.37 | 0.08 | 1.08 | 0.08 | 2.62 | 0.24 | 1.74 | 0.12 | 1.58 | 0.16 | 1.80 | 0.25 | 1.13 | 0.23 | 2.16 | 0.17 | 2.53 | 0.39 | 0.54 | 0.13 | 0.81 | 0.13 |
PALMITOLEIC ACID (M-H)- | ME204477 | 1.59 | 0.20 | 1.96 | 0.25 | 1.08 | 0.18 | 1.86 | 0.46 | 1.96 | 0.14 | 2.52 | 0.22 | 0.92 | 0.79 | 0.90 | 0.40 | 1.94 | 0.10 | 1.14 | 0.13 | 2.78 | 0.23 | 1.73 | 0.19 | 1.63 | 0.19 | 1.63 | 0.45 | 1.23 | 0.27 | 1.74 | 0.20 | 2.14 | 0.49 | 0.86 | 0.16 | 1.01 | 0.43 |
HYPOXANTHINE (M-H)- | ME204457 | 1.43 | NA | 1.77 | 0.75 | 1.43 | 1.78 | 0.73 | 0.75 | 0.63 | 0.68 | 0.83 | 0.78 | 0.17 | NA | NA | NA | 1.27 | 1.13 | 0.88 | 1.61 | NA | NA | 1.18 | 0.46 | 1.63 | 0.69 | 0.72 | 0.64 | 0.74 | NA | 1.50 | 0.57 | 0.21 | 1.04 | 0.92 | 1.70 | NA | NA |
18:0 LYSO-PE (M-H)- | ME204429 | 1.01 | 2.41 | 0.86 | 0.52 | 0.74 | 0.56 | 1.89 | 1.89 | 1.68 | 0.34 | 0.59 | NA | 1.08 | 1.20 | 1.84 | 1.76 | 0.88 | NA | 0.85 | 0.24 | 0.83 | NA | 0.73 | NA | 0.74 | 0.23 | 1.17 | 1.24 | 1.68 | 0.70 | 0.59 | 0.25 | 0.68 | 0.47 | 0.92 | NA | 1.24 | 1.65 |
TAUROLITHOCHOLIC ACID (M-H)- | ME204484 | 1.16 | 0.78 | 1.89 | 0.69 | 1.27 | 0.62 | 1.52 | 1.04 | 2.85 | 0.51 | NA | 0.60 | 0.64 | 1.13 | 1.08 | 0.81 | NA | 0.67 | 1.41 | 0.45 | NA | 0.71 | NA | 0.81 | 1.26 | 0.63 | 1.48 | 1.03 | 1.38 | 0.52 | 1.19 | 0.58 | 1.35 | 1.03 | 0.66 | 0.48 | NA | 0.55 |
DEOXYCHOLIC ACID (M+CL)- | ME204448 | 0.99 | 1.09 | 2.20 | 1.65 | 0.76 | 0.83 | 1.43 | 1.81 | 2.44 | 0.60 | 0.55 | 0.62 | 0.56 | 1.88 | 0.56 | 0.54 | 0.69 | 0.45 | 1.47 | 0.51 | 1.29 | 1.00 | 0.58 | 0.56 | 1.06 | 0.59 | 0.77 | 0.85 | 0.87 | 1.49 | 0.73 | 0.75 | 1.05 | 0.90 | 1.26 | 0.89 | 1.41 | 1.33 |
DEOXYCHOLIC ACID (M-H)- | ME204449 | 1.02 | 1.10 | 2.63 | 1.83 | 0.74 | 0.65 | 1.61 | 2.02 | 2.76 | 0.72 | 0.32 | 0.52 | 0.56 | 2.04 | 0.28 | 0.25 | NA | NA | 1.58 | NA | 1.04 | 0.62 | 0.29 | 0.41 | 1.04 | 0.43 | 0.68 | 0.60 | 0.80 | 0.54 | 0.87 | 0.67 | 1.05 | 0.74 | 1.63 | 0.86 | 1.56 | 1.27 |
DEHYDROEPIANDROSTERONE SULFATE (M-H)- | ME204445 | 0.58 | 0.47 | 0.89 | 0.96 | 0.81 | 0.85 | 0.96 | 1.16 | 1.42 | 1.36 | 0.12 | 0.13 | 1.13 | 1.13 | 0.16 | 0.15 | 1.87 | 1.89 | 0.42 | 0.40 | 1.66 | 1.41 | 1.11 | 1.20 | 1.14 | 1.19 | 1.11 | 1.06 | 1.51 | 0.57 | 1.16 | 1.18 | 1.09 | 1.04 | 0.10 | 0.16 | 0.13 | 0.10 |
ISOCITRIC ACID (M-H)- | ME204458 | 1.12 | 0.53 | 1.27 | 1.36 | 0.40 | 0.46 | 0.99 | 0.32 | 1.11 | 1.44 | 2.26 | 0.84 | 0.35 | 0.35 | 2.25 | 0.84 | 1.02 | 0.37 | 0.47 | 2.17 | 0.20 | 0.13 | 0.39 | 0.96 | 1.24 | 0.99 | 0.92 | 0.98 | 1.13 | 1.07 | 1.82 | 0.89 | 0.82 | 1.06 | 0.48 | 0.87 | 0.94 | 1.80 |
DEOXYURIDINE (M-H)- | ME204450 | 0.88 | 1.67 | 1.18 | 0.51 | 1.46 | 0.51 | 1.07 | 1.08 | 1.03 | 0.71 | 0.93 | 0.93 | 0.69 | 1.12 | 0.35 | 1.03 | 0.14 | 0.56 | 0.39 | NA | NA | 1.06 | 0.61 | NA | 0.85 | 1.31 | 1.54 | 1.33 | 0.54 | 0.22 | 0.81 | NA | 0.71 | 0.38 | 0.96 | NA | 1.03 | 0.44 |
TRICOSANOIC ACID (M-H)- | ME204487 | 0.91 | 1.01 | 0.61 | 1.17 | 0.63 | 0.76 | 0.66 | 0.68 | 0.52 | 1.37 | 0.71 | 2.27 | 0.67 | 0.70 | 0.81 | 0.95 | 0.57 | 1.50 | 0.64 | 1.30 | 0.55 | 1.03 | 0.52 | 0.96 | 0.77 | 1.91 | 0.77 | 1.10 | 0.67 | 0.82 | 0.78 | 1.67 | 0.85 | 1.15 | 0.74 | 1.28 | 0.76 | 0.80 |
HOMOVANILLIC ACID (2M-H)- | ME204456 | 0.49 | 0.47 | 1.27 | 1.16 | 0.50 | 0.46 | 1.25 | 1.30 | 0.39 | 0.44 | 1.52 | 0.13 | 0.41 | 0.37 | NA | 0.35 | 0.45 | 0.46 | 1.21 | 1.30 | 0.52 | 0.55 | 0.35 | NA | 1.23 | 1.13 | 1.13 | 1.24 | 1.31 | 0.11 | 1.28 | 1.31 | 1.33 | 1.38 | 1.10 | 1.20 | 1.21 | 1.24 |
URIC ACID (M-H)- | ME204491 | 0.89 | 0.20 | 1.71 | 1.14 | 0.42 | 0.43 | 1.14 | 1.60 | 1.43 | 0.44 | 1.98 | 1.00 | 0.25 | 0.91 | 0.92 | 0.28 | 1.69 | 0.62 | 1.26 | 1.22 | 0.52 | 0.88 | 0.36 | 1.09 | 1.34 | 0.79 | 1.08 | 1.26 | 0.95 | 0.22 | 1.42 | 1.12 | 1.13 | 0.57 | 0.44 | 0.54 | 0.93 | 0.80 |
VALINE (M-H)- | ME204494 | 1.06 | 0.30 | 1.76 | 0.92 | 0.69 | 0.44 | 1.62 | 0.88 | 0.67 | 0.48 | 1.51 | 0.78 | 0.77 | 1.10 | 0.55 | 0.67 | 1.34 | NA | 0.41 | 0.95 | NA | NA | 0.67 | NA | 1.36 | 0.82 | 1.32 | 0.95 | NA | NA | 1.16 | 0.90 | 0.83 | NA | 1.05 | 0.47 | 0.69 | 0.65 |
ALPHA-HYDROXYISOBUTYRIC ACID (M-H)- | ME204439 | 1.36 | 0.60 | 1.02 | 1.00 | 0.89 | 0.57 | 1.86 | 1.55 | 1.39 | 0.60 | 1.55 | 0.36 | 0.93 | 0.70 | 2.17 | 1.01 | 1.46 | 0.73 | 0.93 | 2.51 | 1.42 | 0.65 | 0.88 | 0.39 | 1.29 | 0.84 | 0.75 | 1.28 | 0.65 | 0.55 | 0.88 | 0.39 | 0.82 | 0.94 | 1.04 | 0.60 | 0.65 | 0.67 |
SUCCINIC ACID (M-H)- | ME204483 | 1.00 | 1.08 | 1.20 | 0.68 | 1.26 | 0.96 | 0.94 | 1.04 | 1.17 | 0.91 | 1.04 | 0.73 | 0.69 | 1.01 | 1.74 | 2.32 | 1.31 | 0.58 | 0.91 | 0.56 | 0.89 | 0.88 | 0.88 | 0.74 | 0.99 | 0.69 | 1.00 | 1.06 | 0.93 | 0.69 | 1.06 | 0.76 | 1.33 | 1.26 | 0.76 | 0.67 | 1.74 | 2.34 |
PHYTANIC ACID (M-H)- | ME204480 | 2.11 | 1.15 | 1.19 | 0.36 | 1.50 | 0.58 | 1.36 | 0.42 | 2.07 | 0.36 | 1.06 | 0.26 | 1.03 | 2.11 | 1.40 | 0.66 | 0.99 | 0.30 | 1.15 | 0.36 | 1.68 | 0.42 | 1.92 | 0.28 | 1.05 | 0.33 | 1.67 | 0.78 | 1.87 | 0.65 | 1.03 | 0.32 | 1.65 | 0.62 | 1.14 | 0.26 | 1.15 | 0.76 |
ARACHIDIC ACID (M-H)- | ME204440 | 1.74 | 0.94 | 1.51 | 0.62 | 1.46 | 0.81 | 1.54 | 0.87 | 1.48 | 0.55 | 1.25 | 0.55 | 1.41 | 1.14 | 1.05 | 0.91 | 1.26 | 0.48 | 1.23 | 0.59 | 1.48 | 0.69 | 1.75 | 0.63 | 1.12 | 0.50 | 1.22 | 0.81 | 1.72 | 0.75 | 1.02 | 0.52 | 1.02 | 0.69 | 1.38 | 0.52 | 1.09 | 0.95 |
NERVONIC ACID (M-H)- | ME204472 | 2.15 | 0.85 | 1.37 | 0.49 | 1.23 | 0.56 | 1.61 | 0.69 | 1.35 | 0.38 | 1.18 | 0.27 | 1.28 | 1.19 | 1.03 | 0.64 | 1.75 | 0.38 | 1.55 | 0.49 | 2.04 | 0.66 | 1.48 | 0.46 | 1.34 | 0.31 | 1.38 | 0.76 | 1.18 | 0.70 | 1.24 | 0.38 | 1.39 | 0.71 | 1.41 | 0.47 | 1.18 | 0.81 |
HEPTADECANOIC ACID (M-H)- | ME204454 | 1.14 | 0.72 | 1.23 | 0.55 | 1.12 | 0.62 | 1.37 | 0.78 | 1.64 | 0.90 | 1.38 | 0.90 | 1.39 | 1.14 | 1.08 | 0.91 | 0.94 | 0.75 | 1.18 | 0.70 | 1.29 | 0.69 | 1.46 | 0.35 | 1.18 | 0.71 | 1.32 | 0.94 | 1.34 | 0.49 | 1.22 | 0.89 | 0.96 | 0.61 | 0.74 | 0.64 | 0.88 | 0.68 |
MYRISTIC ACID (M-H)- | ME204468 | 1.34 | 0.57 | 1.51 | 0.60 | 1.17 | 0.52 | 1.37 | 0.67 | 1.60 | 0.52 | 1.80 | 0.59 | 0.99 | 0.96 | 1.00 | 0.68 | 1.28 | 0.47 | 1.09 | 0.52 | 1.51 | 0.52 | 2.06 | 0.55 | 1.25 | 0.56 | 1.33 | 0.69 | 1.36 | 0.50 | 1.47 | 0.60 | 1.77 | 0.78 | 0.82 | 0.52 | 1.06 | 0.64 |
STEARIC ACID (M-H)- | ME204482 | 1.60 | 0.65 | 1.31 | 0.59 | 1.49 | 0.57 | 1.73 | 0.66 | 1.94 | 0.61 | 1.23 | 0.59 | 1.24 | 1.05 | 0.98 | 0.74 | 0.96 | 0.53 | 1.31 | 0.58 | 1.66 | 0.63 | 2.52 | 0.52 | 1.14 | 0.55 | 1.42 | 0.74 | 1.35 | 0.54 | 0.94 | 0.57 | 1.22 | 0.67 | 0.84 | 0.55 | 1.04 | 0.67 |
5-OXOPROLINE (M-H)- | ME204437 | 0.83 | 0.86 | 1.01 | 1.17 | 0.87 | 0.89 | 1.25 | 1.24 | 0.99 | 0.72 | NA | 0.82 | 0.63 | 0.82 | 0.99 | 0.88 | 0.83 | 0.67 | 0.83 | 0.63 | 0.45 | NA | NA | 0.71 | 1.06 | 0.77 | 1.51 | 1.13 | 1.43 | 0.94 | 0.82 | 0.74 | 1.04 | 1.07 | 0.93 | 0.85 | 1.29 | 1.20 |
TRIDECANOIC ACID (M-H)- | ME204488 | 1.54 | 1.56 | 0.72 | 0.69 | 1.44 | 1.02 | 0.71 | 0.81 | 1.45 | 1.48 | 1.73 | 1.00 | 1.40 | 1.54 | 0.78 | 1.46 | 1.10 | 1.28 | 0.65 | 0.96 | 1.15 | 1.58 | 1.36 | 1.30 | 0.82 | 0.90 | 0.95 | 0.82 | 0.76 | 1.44 | 0.76 | 0.74 | 0.95 | 1.10 | 0.52 | 0.92 | 0.70 | 0.86 |
L-[15N]ANTHRANILIC ACID [ISTD] (M-H)- | ME204463 | 0.75 | 1.19 | 1.14 | 1.12 | 1.04 | 1.08 | 1.61 | 1.66 | 0.51 | 0.64 | 1.02 | 0.78 | 1.01 | 1.40 | 0.46 | 0.55 | 1.37 | 1.55 | 0.81 | 0.76 | 1.50 | 1.33 | 1.00 | 1.06 | 0.91 | 0.84 | 1.01 | 1.06 | 1.21 | 0.37 | 1.06 | 0.96 | 1.03 | 1.07 | 0.56 | 0.56 | 0.61 | 0.70 |
TRANS-ACONITIC ACID (M-H)- | ME204486 | 1.13 | 0.92 | 1.33 | 0.80 | 1.08 | 0.89 | 1.64 | 1.27 | 1.44 | 1.15 | 1.45 | 0.76 | 0.56 | 0.96 | 0.97 | 0.42 | 0.60 | 1.03 | 1.16 | 0.56 | 0.56 | 1.88 | 1.12 | 0.97 | 0.83 | 0.65 | 1.30 | 1.24 | 1.59 | 1.47 | 1.27 | 0.67 | 0.90 | 1.28 | 0.82 | 0.67 | 1.03 | 0.84 |
2-HYDROXYBUTYRIC ACID (M-H)- | ME204430 | 1.06 | 0.71 | 1.22 | 1.00 | 0.63 | 0.73 | 2.00 | 1.03 | 1.16 | 0.62 | 2.03 | 0.47 | 0.75 | 0.82 | 1.11 | 0.99 | 0.81 | 0.87 | 1.22 | NA | 0.84 | 0.55 | 1.10 | 0.68 | 1.22 | 0.85 | 0.91 | 1.20 | 0.89 | 0.59 | 1.03 | 1.01 | 0.63 | 1.02 | 1.29 | 0.88 | 0.88 | 1.13 |
MALIC ACID (M-H)- | ME204467 | 1.13 | 0.55 | 1.30 | 0.99 | 0.75 | 1.15 | 1.11 | 1.45 | 0.73 | 0.92 | 1.20 | 0.74 | 1.60 | 0.83 | 1.06 | 0.79 | 1.30 | 0.39 | 0.98 | 0.93 | 0.17 | 0.15 | 0.88 | 0.15 | 1.18 | 0.97 | 1.11 | 1.09 | 0.39 | 0.97 | 1.25 | 1.06 | 0.98 | 0.89 | 1.27 | 0.80 | 0.97 | 0.99 |
4-PYRIDOXIC ACID (M-H)- | ME204435 | 0.81 | 0.66 | 1.49 | 1.49 | 0.70 | 0.57 | 1.01 | 0.66 | 1.94 | 1.37 | 0.83 | 0.73 | 0.71 | 0.72 | 1.09 | 1.01 | 1.38 | 1.18 | 0.94 | 1.02 | 1.81 | 1.57 | 0.79 | 0.71 | 1.30 | 0.95 | 0.92 | 0.87 | 0.57 | 0.65 | 1.10 | 0.82 | 0.95 | 0.88 | 0.59 | 0.51 | 0.69 | 0.63 |
PANTOTHENIC ACID (M-H)- | ME204478 | 1.03 | 0.92 | 1.08 | 1.06 | 1.21 | 1.08 | 1.02 | 0.84 | 1.46 | 1.13 | 1.40 | 1.22 | 0.98 | 0.81 | 1.24 | 1.07 | 1.10 | 0.93 | 0.91 | 0.86 | 1.60 | 1.11 | 0.87 | 0.76 | 0.92 | 0.92 | 0.98 | 0.94 | 0.58 | 0.06 | 1.04 | 1.11 | 1.26 | 1.20 | 0.69 | 0.87 | 0.77 | 0.74 |
ISOLEUCINE (M-H)- | ME204459 | 1.40 | 0.95 | 1.67 | 0.80 | 1.19 | 0.66 | 0.81 | 0.97 | 1.17 | 0.60 | 1.44 | 1.01 | 0.98 | 1.16 | 1.60 | 1.11 | 1.43 | 0.44 | 0.28 | 0.80 | 0.76 | 0.59 | 1.13 | 0.53 | 1.22 | 0.66 | 1.03 | 0.94 | 1.25 | 0.70 | 1.35 | 0.78 | 1.26 | 0.88 | 1.48 | 0.77 | 1.26 | 0.79 |
DEHYDROASCORBIC ACID (M-H)- | ME204444 | 1.35 | 0.71 | 1.69 | 0.87 | 1.18 | 0.70 | 0.36 | 0.82 | 1.27 | 0.67 | 1.85 | 0.99 | 0.60 | 0.95 | 0.92 | 0.84 | 1.49 | 0.34 | 1.25 | 0.77 | 0.66 | 1.01 | 1.54 | 1.05 | 1.23 | 0.79 | 1.09 | 0.82 | 0.94 | 1.16 | 1.65 | 0.85 | 1.15 | 0.71 | 1.12 | 0.72 | 0.91 | 0.97 |
3-METHYL-2-OXOPENTANOIC ACID (M-H)- | ME204432 | 1.33 | 0.70 | 1.61 | 0.61 | 1.13 | 0.51 | 0.94 | 0.77 | 1.56 | 0.67 | 1.66 | 0.81 | 0.86 | 1.03 | 1.14 | 0.64 | 1.27 | 0.43 | 1.62 | 0.68 | 0.93 | 0.49 | 1.48 | 0.60 | 1.53 | 0.53 | 1.24 | 0.70 | 1.18 | 0.69 | 1.47 | 0.67 | 1.22 | 0.83 | 1.42 | 0.68 | 0.88 | 0.52 |
4-METHYL-2-OXOPENTANOIC ACID (M-H)- | ME204434 | 1.33 | 0.75 | 1.49 | 0.71 | 1.13 | 0.67 | 0.96 | 0.75 | 1.42 | 0.75 | 1.53 | 0.87 | 0.88 | 0.95 | 1.10 | 0.59 | 1.05 | 0.59 | 1.70 | 0.93 | 0.94 | 0.52 | 1.30 | 0.80 | 1.47 | 0.69 | 1.16 | 0.64 | 1.13 | 0.69 | 1.49 | 0.87 | 1.10 | 0.72 | 1.36 | 0.80 | 0.78 | 0.47 |
N-ACETYL-DL-METHIONINE (M-H)- | ME204470 | 1.35 | 1.20 | 1.28 | 0.93 | 1.02 | 1.03 | 0.63 | 0.66 | 1.22 | 1.02 | 1.17 | 0.89 | 1.23 | 1.20 | 0.51 | 0.31 | 1.31 | 1.14 | 1.10 | 0.79 | 1.12 | 1.18 | 1.52 | 1.51 | 1.05 | 0.90 | 0.93 | 0.81 | 0.72 | 0.93 | 1.34 | 1.05 | 1.13 | 1.03 | 0.99 | 0.76 | 0.72 | 0.56 |
LYSINE (M-H)- | ME204466 | 0.99 | 1.01 | 1.25 | 1.01 | 0.83 | 0.63 | 0.91 | 0.86 | 1.20 | 0.75 | 0.72 | 0.72 | 1.17 | 1.12 | 0.97 | 1.02 | 1.62 | 0.60 | 1.17 | 1.05 | 1.22 | 0.93 | 0.64 | 0.67 | 1.03 | 0.87 | 1.03 | 0.95 | 1.86 | 1.08 | 1.08 | 1.03 | 0.85 | 0.97 | 1.13 | 1.25 | 1.00 | 0.85 |
L-HISTIDINE (M-H)- | ME204461 | 1.18 | 0.78 | 1.25 | 1.07 | 0.98 | 0.91 | 0.79 | 0.68 | 0.98 | 0.77 | 0.91 | 0.84 | 1.04 | 0.98 | 1.22 | 0.80 | 1.27 | 0.77 | 1.51 | 1.19 | 0.71 | 0.47 | 1.23 | 0.89 | 1.23 | 1.01 | 0.89 | 0.77 | 0.87 | 0.74 | 1.31 | 1.24 | 0.94 | 0.64 | 1.56 | 1.09 | 1.58 | 1.19 |
TYROSINE (M-H)- | ME204490 | 1.45 | 1.10 | 1.24 | 0.83 | 1.24 | 0.89 | 1.05 | 0.93 | 0.71 | 0.52 | 1.04 | 0.86 | 0.75 | 0.99 | 1.56 | 0.95 | 1.19 | 0.63 | 1.19 | 0.87 | 0.61 | 0.71 | 0.99 | 0.82 | 1.23 | 0.82 | 1.14 | 0.90 | 1.31 | 0.72 | 1.26 | 0.91 | 0.96 | 0.76 | 1.23 | 0.88 | 1.37 | 0.87 |
XANTHINE (M-H)- | ME204495 | 1.37 | 1.01 | 1.35 | 0.77 | 0.95 | 0.83 | 1.43 | 1.38 | 1.09 | 0.66 | 1.03 | 0.86 | 0.66 | 0.80 | 1.22 | 1.07 | 1.33 | 0.77 | 1.54 | 0.77 | 0.74 | 0.89 | 0.95 | 0.61 | 1.23 | 0.75 | 1.16 | 0.98 | 1.10 | 0.71 | 1.13 | 0.64 | 1.08 | 0.82 | 1.17 | 0.69 | 0.56 | 0.82 |
DEOXYADENOSINE (M+CL)- | ME204446 | 1.06 | 0.90 | 1.13 | 0.74 | 0.87 | 0.77 | 1.05 | 0.99 | 1.14 | 0.93 | 1.76 | 1.13 | 0.93 | 0.84 | 1.21 | 0.90 | 0.83 | 0.85 | 1.04 | 0.91 | 0.77 | 0.68 | 1.02 | 0.80 | 1.17 | 1.01 | 1.01 | 1.01 | 0.79 | 0.49 | 1.12 | 1.03 | 1.08 | 0.95 | 1.15 | 0.97 | 1.02 | 1.03 |
N-ACETYL-L-ALANINE (M-H)- | ME204471 | 1.28 | 0.86 | 1.22 | 0.84 | 0.99 | 0.67 | 1.15 | 0.90 | 1.41 | 0.85 | 1.19 | 1.09 | 1.00 | 0.95 | 1.00 | 1.02 | 1.25 | 0.86 | 1.14 | 0.75 | 1.18 | 0.88 | 1.44 | 0.76 | 1.16 | 0.82 | 0.98 | 0.92 | 1.05 | 0.81 | 1.34 | 0.88 | 1.08 | 0.97 | 1.12 | 0.54 | 0.99 | 0.54 |
PHENYLALANINE (M-H)- | ME204479 | 1.14 | 0.90 | 1.19 | 0.82 | 0.95 | 0.73 | 0.93 | 0.99 | 0.99 | 0.72 | 1.23 | 0.97 | 0.84 | 0.88 | 1.48 | 1.23 | 1.22 | 0.90 | 1.33 | 0.93 | 1.04 | 0.86 | 0.99 | 0.75 | 1.21 | 0.84 | 1.10 | 0.89 | 1.12 | 0.67 | 1.33 | 0.94 | 1.12 | 0.92 | 1.13 | 0.80 | 1.04 | 0.73 |
TRYPTOPHAN (M-H)- | ME204489 | 1.09 | 0.87 | 1.25 | 0.82 | 1.00 | 0.81 | 0.94 | 1.05 | 1.08 | 0.91 | 1.11 | 0.93 | 0.84 | 1.04 | 1.34 | 1.10 | 1.10 | 0.78 | 1.23 | 0.84 | 0.78 | 0.73 | 0.98 | 0.82 | 1.21 | 0.88 | 1.10 | 0.98 | 1.07 | 0.68 | 1.20 | 0.90 | 1.07 | 0.92 | 1.03 | 0.81 | 0.87 | 0.69 |
5-HYDROXYTRYPTOPHAN (M-H)- | ME204436 | 1.12 | 1.06 | 1.10 | 1.00 | 0.92 | 0.95 | 0.93 | 0.91 | 1.17 | 0.88 | 1.21 | 1.06 | 0.99 | 1.19 | 1.28 | 1.22 | 1.30 | 1.12 | 1.09 | 1.02 | 1.07 | NA | 1.20 | 1.11 | 1.09 | 0.95 | 0.86 | 0.94 | 0.76 | 0.93 | 1.09 | 0.79 | 1.01 | 0.88 | 1.01 | 0.78 | 1.14 | 0.95 |
3-(4-HYDROXYPHENYL)LACTIC ACID (M-H)- | ME204431 | 0.96 | 0.90 | 1.33 | 0.88 | 1.00 | 0.97 | 0.80 | 0.94 | 0.94 | 0.69 | 0.98 | 0.97 | 0.56 | 0.81 | 1.10 | 0.93 | 1.26 | 0.99 | 1.15 | 0.82 | 1.29 | 1.07 | 0.61 | 1.30 | 1.15 | 1.00 | 1.02 | 1.09 | 0.46 | 1.25 | 0.99 | 1.21 | 0.95 | 1.08 | 0.89 | 0.90 | 0.96 | 0.70 |
KYNURENINE (M-H)- | ME204460 | 1.17 | 1.05 | 1.24 | 0.97 | 0.66 | 0.63 | 0.76 | 0.88 | 0.87 | 0.75 | 1.36 | 1.35 | 0.99 | 1.23 | 1.46 | 1.38 | 1.14 | 0.97 | 1.04 | 1.03 | 0.94 | 1.07 | 0.96 | 0.90 | 1.02 | 0.93 | 0.97 | 1.02 | 0.90 | 0.91 | 1.12 | 1.09 | 1.07 | 1.03 | 0.71 | 0.79 | 1.25 | 1.07 |
16:0 LYSO PC (M+CL)- | ME204428 | 1.12 | 1.01 | 1.05 | 0.86 | 1.14 | 1.05 | 1.19 | 1.21 | 1.20 | 0.94 | 1.03 | 0.56 | 1.14 | 1.20 | 1.21 | 1.27 | 1.11 | 0.77 | 1.12 | 0.87 | 1.16 | 0.97 | 1.13 | 0.95 | 1.07 | 0.77 | 0.78 | 1.09 | 0.52 | 1.11 | 1.06 | 0.87 | 0.88 | 1.14 | 1.07 | 0.85 | 1.11 | 1.16 |
OXALOACETIC ACID (M-H)-[-H2O] | ME204474 | 0.89 | 0.93 | 0.93 | 0.93 | 0.92 | 0.90 | 1.49 | 1.28 | 0.95 | 1.00 | 0.94 | 1.01 | 0.97 | 0.97 | 0.99 | 1.14 | 0.90 | 1.02 | 0.86 | 0.95 | 0.95 | 1.16 | 0.82 | 0.93 | 0.79 | 0.89 | 1.23 | 1.21 | 1.14 | 1.20 | 0.95 | 0.89 | 0.92 | 1.02 | 0.92 | 0.92 | 0.83 | 1.02 |
BEHENIC ACID (M-H)- | ME204442 | 0.97 | 0.96 | 1.26 | 1.19 | 0.97 | 0.88 | 1.13 | 0.81 | 0.74 | 1.09 | 0.93 | 0.89 | 0.91 | 0.89 | 0.89 | 1.00 | 0.95 | 1.09 | 0.73 | 1.25 | 0.77 | 1.13 | 0.88 | 1.13 | 0.92 | 1.01 | 0.94 | 0.98 | 1.09 | 0.89 | 1.12 | 1.08 | 1.08 | 1.20 | 0.91 | 1.17 | 0.94 | 0.97 |
ZEATIN [ISTD] (M+CL)- | ME204496 | 1.09 | 0.97 | 1.03 | 0.96 | 1.08 | 0.99 | 1.05 | 1.00 | 1.04 | 0.96 | 1.07 | 0.97 | 1.02 | 1.03 | 1.05 | 1.06 | 1.05 | 0.96 | 1.06 | 0.98 | 1.04 | 0.96 | 1.06 | 0.99 | 1.02 | 0.95 | 1.01 | 0.97 | 0.99 | 0.90 | 0.98 | 0.95 | 1.01 | 0.97 | 1.04 | 0.97 | 1.00 | 0.99 |
ZEATIN [ISTD] (M-H)- | ME204497 | 1.02 | 1.04 | 0.95 | 0.95 | 1.06 | 1.04 | 0.98 | 0.98 | 0.99 | 0.98 | 1.03 | 1.03 | 1.04 | 1.06 | 1.05 | 1.11 | 0.99 | 0.98 | 1.02 | 1.02 | 1.01 | 1.01 | 0.97 | 0.99 | 0.98 | 0.99 | 1.00 | 1.00 | 1.05 | 0.98 | 0.98 | 1.00 | 0.99 | 1.00 | 1.02 | 0.98 | 1.01 | 1.05 |
EPIBRASSINOLIDE [ISTD] (M+CL)- | ME204452 | 1.03 | 1.00 | 0.99 | 0.99 | 1.03 | 1.02 | 1.03 | 1.01 | 0.91 | 0.97 | 1.07 | 0.96 | 1.01 | 1.02 | 0.98 | 1.01 | 1.00 | 1.04 | 0.99 | 1.03 | 1.03 | 1.04 | 0.96 | 1.04 | 1.01 | 1.00 | 1.00 | 1.00 | 1.00 | 0.97 | 0.98 | 1.00 | 0.99 | 1.02 | 0.95 | 0.95 | 0.95 | 1.00 |
L-TRYPTOPHAN-15N2 [ISTD] (M-H)- | ME204462 | 0.97 | 1.02 | 0.97 | 0.98 | 1.05 | 1.04 | 1.02 | 1.01 | 0.89 | 1.04 | 1.09 | 0.98 | 1.02 | 1.02 | 0.97 | 1.02 | 1.00 | 1.08 | 0.96 | 1.00 | 1.09 | 1.07 | 0.95 | 1.02 | 0.98 | 1.00 | 0.98 | 1.00 | 1.01 | 0.98 | 1.00 | 1.02 | 1.03 | 1.06 | 0.92 | 0.95 | 0.98 | 1.02 |
URIDINE (M+CL)- | ME204492 | 1.14 | 0.99 | 1.10 | 1.12 | 1.11 | 0.90 | 0.62 | 0.61 | 1.05 | 1.01 | 1.15 | 1.28 | 0.93 | 0.87 | 1.38 | 1.05 | 1.04 | 0.74 | 1.03 | 1.15 | 0.78 | 0.70 | 1.09 | 0.95 | 1.15 | 1.06 | 1.00 | 0.92 | 0.83 | 0.93 | 1.08 | 0.94 | 1.03 | 0.93 | 0.94 | 0.93 | 1.05 | 0.83 |
URIDINE (M-H)- | ME204493 | 1.02 | 0.88 | 1.18 | 1.24 | 0.99 | 0.86 | 0.85 | 0.84 | 1.02 | 1.00 | 0.75 | 1.25 | 1.07 | 0.96 | 1.24 | 0.98 | 0.81 | 0.98 | 0.99 | 1.02 | 0.98 | 0.88 | 0.96 | 0.79 | 1.14 | 0.99 | 1.10 | 1.03 | 0.56 | 1.34 | 1.02 | 0.72 | 0.99 | 0.91 | 0.61 | 0.87 | 0.98 | 0.82 |
ADIPIC ACID (M-H)- | ME204438 | 0.98 | 0.87 | 0.71 | 0.57 | 0.53 | 0.68 | 0.74 | 0.71 | 1.63 | 1.71 | 1.49 | 0.67 | 0.72 | 0.96 | NA | 1.01 | 1.32 | NA | 1.41 | 1.31 | 1.05 | NA | 0.72 | 0.54 | 1.04 | 0.91 | 0.92 | 0.67 | 0.66 | 9.24 | 1.27 | 0.64 | 0.81 | 0.67 | 1.31 | NA | 0.47 | 0.55 |
HIPPURIC ACID (M-H)- | ME204455 | 0.28 | 1.49 | 0.72 | 0.31 | 0.59 | 1.31 | 0.33 | 3.54 | 0.54 | 2.16 | 0.12 | 0.09 | 0.19 | 1.94 | 0.13 | 2.07 | 0.65 | 0.26 | 0.30 | 0.14 | 1.62 | 4.31 | 0.45 | 0.20 | 0.40 | 0.22 | 0.27 | 2.60 | 4.63 | 6.61 | 0.36 | 0.19 | 0.18 | 3.10 | 0.60 | 0.23 | 0.32 | 1.74 |
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 |