Clustering data with hclust algorithm for Metabolic Microenvironments in Normal Breast and Breast Cancer (MS analysis) (Study ST000054)
MS positive ion mode (Analysis AN000092)Metabolite | Structure | F1 | F2 | F3 | F4 | F5 | F6 | F7 | F8 | F9 | F10 | F11 | F12 | F13 | F14 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
palmitoleic acid | ME651941 | 1.26 | 0.40 | 0.84 | 0.49 | 0.72 | 0.37 | 1.26 | 2.40 | 1.05 | 0.22 | 0.81 | 1.46 | 1.13 | 1.11 |
succinate semialdehyde meox1 | ME651954 | 0.75 | 0.97 | 1.31 | 0.67 | 1.70 | 2.44 | 0.81 | 0.34 | 2.12 | 0.62 | 0.85 | 0.51 | 0.43 | 0.25 |
alpha tocopherol | ME651912 | 1.77 | 0.76 | 0.65 | 0.76 | 0.68 | 0.53 | 0.53 | 1.01 | 1.18 | 0.28 | 0.55 | 0.35 | 1.08 | 2.30 |
aminomalonic acid | ME651914 | 1.13 | 0.99 | 1.22 | 2.55 | 0.55 | 0.13 | 1.09 | 0.11 | 0.67 | 0.53 | 0.97 | 0.99 | 1.46 | 0.53 |
sorbitol | ME651952 | 0.23 | 0.24 | 1.48 | 2.54 | 0.74 | 1.03 | 0.78 | 0.43 | 1.26 | 1.26 | 1.35 | 0.82 | 1.00 | 0.96 |
serine | ME651949 | 1.68 | 0.87 | 1.93 | 0.79 | 0.97 | 0.74 | 0.89 | 0.42 | 0.76 | 0.51 | 0.62 | 0.62 | 0.68 | 0.61 |
threonine | ME651955 | 2.41 | 0.74 | 1.85 | 0.70 | 0.57 | 0.54 | 1.29 | 0.26 | 0.58 | 0.35 | 0.47 | 0.52 | 0.56 | 0.43 |
shikimic acid | ME651951 | 1.29 | 1.24 | 1.12 | 1.29 | 1.19 | 1.07 | 1.22 | 0.10 | 1.21 | 1.54 | 1.24 | 1.21 | 0.35 | 0.28 |
urea | ME651958 | 1.57 | 0.43 | 0.96 | 1.28 | 1.31 | 0.58 | 0.86 | 0.61 | 0.95 | 2.48 | 1.20 | 0.99 | 0.70 | 0.40 |
alpha-ketoglutarate | ME651913 | 0.62 | 0.69 | 0.41 | 0.65 | 1.52 | 0.66 | 1.69 | 0.72 | 1.09 | 0.48 | 0.41 | 0.61 | 1.25 | 1.60 |
beta-hydroxybutyric acid | ME651919 | 1.36 | 1.68 | 0.78 | 1.21 | 1.51 | 2.48 | 0.97 | 1.18 | 0.85 | 0.58 | 0.43 | 0.43 | 0.97 | 0.98 |
lysine | ME651931 | 0.83 | 1.36 | 0.88 | 1.59 | 1.26 | 2.04 | 0.93 | 0.38 | 1.03 | 1.14 | 0.88 | 0.83 | 1.01 | 0.92 |
maleimide | ME651932 | 1.11 | 1.65 | 0.80 | 1.63 | 1.10 | 1.67 | 0.64 | 0.36 | 1.37 | 1.48 | 0.73 | 0.68 | 1.16 | 0.74 |
z dioctylphtalate | ME651960 | 1.05 | 1.28 | 0.70 | 1.08 | 0.78 | 1.32 | 0.87 | 0.74 | 0.84 | 0.70 | 0.71 | 0.75 | 1.27 | 1.90 |
citric acid | ME651923 | 1.31 | 1.10 | 0.79 | 1.56 | 1.16 | 0.71 | 0.81 | 0.77 | 1.77 | 1.19 | 0.60 | 0.69 | 0.99 | 0.57 |
malic acid | ME651933 | 1.39 | 1.35 | 1.03 | 1.49 | 1.25 | 0.87 | 0.79 | 0.67 | 0.93 | 0.96 | 0.62 | 0.65 | 1.10 | 0.88 |
phosphate | ME651944 | 1.26 | 0.99 | 0.82 | 1.43 | 1.50 | 1.01 | 1.18 | 0.94 | 1.10 | 1.16 | 0.64 | 0.79 | 0.84 | 0.71 |
isoleucine | ME651928 | 1.10 | 0.77 | 1.31 | 1.16 | 1.29 | 1.02 | 1.35 | 0.53 | 1.07 | 0.69 | 0.63 | 0.66 | 0.74 | 0.68 |
proline | ME651946 | 0.93 | 1.09 | 1.18 | 1.23 | 1.63 | 1.25 | 1.31 | 0.65 | 1.18 | 0.59 | 0.61 | 0.81 | 0.70 | 0.58 |
cholesterol | ME651922 | 1.33 | 1.12 | 1.26 | 1.12 | 1.50 | 1.07 | 0.86 | 0.84 | 1.14 | 0.98 | 0.65 | 0.81 | 0.67 | 0.71 |
oxoproline | ME651939 | 1.18 | 0.99 | 1.63 | 1.30 | 1.45 | 1.33 | 0.79 | 0.55 | 0.95 | 0.93 | 0.63 | 0.66 | 0.76 | 0.58 |
valine | ME651959 | 1.05 | 1.20 | 1.05 | 1.31 | 1.42 | 1.43 | 0.94 | 0.25 | 1.03 | 0.45 | 0.71 | 1.21 | 0.82 | 1.09 |
N-acetyl-L-aspartic acid 1 | ME651935 | 1.02 | 1.02 | 0.95 | 1.27 | 1.49 | 1.47 | 0.78 | 0.68 | 1.15 | 0.93 | 0.53 | 0.57 | 0.93 | 1.38 |
serine minor | ME651950 | 1.04 | 0.92 | 1.22 | 1.20 | 1.68 | 1.95 | 0.63 | 0.60 | 1.13 | 0.77 | 0.68 | 0.73 | 0.91 | 0.79 |
threonine minor | ME651956 | 1.14 | 0.97 | 1.23 | 1.21 | 1.61 | 1.71 | 0.70 | 0.62 | 1.13 | 0.78 | 0.63 | 0.69 | 0.88 | 0.77 |
creatine major dehydrated TMS3 | ME651924 | 0.97 | 0.98 | 0.97 | 1.51 | 1.05 | 0.74 | 1.28 | 0.88 | 0.76 | 0.83 | 0.72 | 1.01 | 1.31 | 0.74 |
salicylic acid | ME651948 | 1.06 | 0.91 | 0.77 | 1.45 | 0.80 | 0.79 | 1.86 | 0.42 | 0.84 | 0.72 | 0.78 | 0.68 | 1.04 | 0.84 |
pinitol | ME651945 | 0.93 | 0.80 | 0.84 | 1.03 | 1.59 | 1.03 | 0.93 | 0.84 | 0.91 | 0.84 | 1.31 | 1.30 | 0.81 | 0.94 |
oxalic acid | ME651938 | 0.96 | 1.27 | 0.80 | 1.10 | 1.19 | 0.82 | 0.93 | 0.81 | 1.53 | 0.80 | 0.77 | 0.71 | 1.00 | 1.00 |
lauric acid | ME651929 | 1.28 | 1.32 | 0.86 | 0.90 | 0.91 | 0.73 | 0.92 | 1.03 | 1.06 | 0.99 | 0.92 | 1.04 | 1.01 | 1.06 |
2-hydroxybutanoic acid | ME651911 | 1.04 | 1.25 | 0.78 | 1.23 | 1.46 | 1.38 | 0.98 | 0.96 | 0.84 | 0.76 | 0.78 | 0.92 | 1.08 | 1.07 |
chlorogenic acid major | ME651921 | 1.07 | 0.98 | 0.97 | 1.20 | 1.02 | 0.95 | 1.00 | 0.88 | 1.01 | 1.20 | 1.01 | 0.86 | 0.94 | 0.99 |
behenic acid | ME651917 | 1.09 | 1.10 | 0.85 | 0.91 | 0.96 | 1.07 | 1.03 | 0.79 | 1.04 | 0.82 | 0.91 | 1.02 | 1.00 | 1.24 |
palmitic acid | ME651940 | 1.02 | 1.16 | 0.83 | 1.27 | 1.07 | 1.44 | 0.96 | 0.90 | 1.04 | 0.88 | 0.93 | 1.24 | 0.99 | 1.06 |
caprylic acid | ME651920 | 1.04 | 1.32 | 0.94 | 1.10 | 1.14 | 1.32 | 1.03 | 0.85 | 1.09 | 1.01 | 0.97 | 1.08 | 0.87 | 0.81 |
pentadecanoic acid | ME651943 | 1.02 | 1.12 | 0.90 | 1.44 | 1.11 | 1.10 | 1.00 | 0.87 | 1.08 | 0.97 | 0.89 | 1.00 | 1.01 | 0.92 |
ribitol | ME651947 | 0.99 | 1.08 | 0.96 | 1.31 | 1.09 | 1.19 | 1.03 | 1.00 | 0.96 | 0.94 | 0.95 | 1.00 | 0.99 | 0.93 |
benzoic acid | ME651918 | 1.06 | 1.16 | 0.84 | 1.14 | 1.01 | 1.09 | 1.02 | 1.01 | 1.06 | 1.06 | 0.97 | 1.02 | 1.00 | 0.98 |
pelargonic acid | ME651942 | 1.06 | 1.20 | 0.91 | 1.13 | 1.08 | 1.21 | 1.03 | 1.03 | 1.10 | 1.16 | 0.92 | 1.01 | 0.90 | 0.90 |
arachidiic acid | ME651915 | 1.09 | 1.14 | 0.85 | 1.01 | 1.03 | 1.14 | 1.04 | 0.74 | 1.12 | 0.93 | 0.94 | 1.05 | 0.95 | 1.02 |
stearic acid | ME651953 | 1.00 | 1.19 | 0.82 | 1.11 | 1.05 | 1.24 | 0.98 | 0.88 | 1.09 | 0.90 | 0.90 | 1.15 | 1.00 | 1.15 |
heptadecanoic acid | ME651927 | 1.06 | 1.10 | 0.84 | 1.13 | 0.96 | 1.18 | 1.03 | 0.87 | 1.07 | 0.89 | 0.95 | 1.20 | 1.01 | 1.01 |
myristic acid | ME651934 | 1.04 | 1.12 | 0.86 | 1.09 | 1.00 | 1.18 | 1.03 | 0.93 | 1.05 | 0.92 | 0.96 | 1.07 | 1.02 | 1.00 |
glycerol | ME651926 | 0.91 | 1.29 | 0.75 | 1.17 | 1.02 | 1.27 | 1.11 | 1.08 | 0.85 | 0.83 | 1.09 | 1.39 | 1.07 | 1.04 |
octadecanol | ME651936 | 1.12 | 1.16 | 0.80 | 1.18 | 0.91 | 1.08 | 0.97 | 0.96 | 0.98 | 0.83 | 0.82 | 0.88 | 1.26 | 1.06 |
linoleic acid | ME651930 | 0.96 | 1.10 | 0.72 | 1.23 | 0.80 | 1.10 | 1.04 | 1.17 | 0.92 | 0.74 | 0.90 | 1.19 | 1.30 | 1.19 |
oleic acid | ME651937 | 0.94 | 1.14 | 0.69 | 1.23 | 0.98 | 1.21 | 1.04 | 1.19 | 0.93 | 0.78 | 0.86 | 1.20 | 1.25 | 1.17 |
glutamic acid 2TMS | ME651925 | 1.10 | 0.61 | 1.94 | 1.58 | 1.61 | 1.28 | 0.28 | 0.25 | 1.58 | 0.82 | 0.41 | 0.21 | 0.74 | 0.52 |
aspartate minor | ME651916 | 1.43 | 1.31 | 1.21 | 1.70 | 1.80 | 1.24 | 0.37 | 0.66 | 1.07 | 1.04 | 0.34 | 0.47 | 1.12 | 0.59 |
trans-4-hydroxy-L-proline minor1 | ME651957 | 0.85 | 0.82 | 1.44 | 1.48 | 2.37 | 1.21 | 0.70 | 0.90 | 0.75 | 0.64 | 0.65 | 0.48 | 0.94 | 0.53 |
1-monopalmitin | ME651909 | 0.29 | 0.68 | 0.36 | 1.65 | 0.54 | 1.18 | 0.19 | 0.98 | 0.31 | 0.49 | 0.19 | 0.67 | 2.05 | 4.68 |
1-monostearin | ME651910 | 0.21 | 0.69 | 0.27 | 0.66 | 0.38 | 0.73 | 0.13 | 0.38 | 0.19 | 0.33 | 0.14 | 0.32 | 0.86 | 8.02 |
Factors:
F1 | treatment:Basal | pool aliquot:no |
F2 | treatment:Basal | pool aliquot:yes |
F3 | treatment:DCIS | pool aliquot:no |
F4 | treatment:DCIS | pool aliquot:yes |
F5 | treatment:HER2 | pool aliquot:no |
F6 | treatment:HER2 | pool aliquot:yes |
F7 | treatment:LumA | pool aliquot:no |
F8 | treatment:LumA | pool aliquot:yes |
F9 | treatment:LumB | pool aliquot:no |
F10 | treatment:LumB | pool aliquot:yes |
F11 | treatment:Reduction | pool aliquot:no |
F12 | treatment:Reduction | pool aliquot:yes |
F13 | treatment:Total Pool1 | pool aliquot:yes |
F14 | treatment:Total Pool2 | pool aliquot:yes |