Data for GC/MS and LC/MS metabolomics profiling for breast cancer plasma data and control plasma data (Study ST000355)
(Analysis AN000580)Values for each metabolite have been scaled by dividing by the mean across all factors Run Hierarchial cluster analysis on this study | Run Heatmap cluster analysis on this studyMetabolite | F1 | F2 | F3 | F4 | F5 |
---|---|---|---|---|---|
1,2-dimethylpropanol | 0.9902 | 0.9863 | 1.0212 | 1.0089 | 0.9955 |
1H-Indole-3-acetic acid | 0.7432 | 0.7891 | 0.8491 | 1.4048 | 1.1710 |
1-hydroxy-1-cyclohexen | 0.9767 | 0.9985 | 1.0182 | 0.9518 | 1.0102 |
2,2^-Bipyridine | 1.0167 | 0.9905 | 0.9761 | 0.9452 | 1.0333 |
2,3-Dihydroxybutanoic acid | 1.1551 | 0.9761 | 1.0042 | 0.9214 | 0.9978 |
2,3^-Dipyridyl | 0.9342 | 0.8942 | 1.0967 | 0.8841 | 1.0600 |
2,4-bishydroxybutanoic acid | 1.2072 | 0.8797 | 0.9554 | 1.3146 | 0.9581 |
2-amino-6-methylaminohexanoic acid | 0.7721 | 0.9260 | 1.1599 | 1.4458 | 0.8709 |
2-aminobutyric acid | 0.9933 | 1.0371 | 1.0512 | 1.0093 | 0.9433 |
2-Butenedioic acid | 1.0213 | 0.9559 | 1.0407 | 0.9280 | 1.0197 |
2-hydroxypyridine | 1.0033 | 0.9889 | 0.9960 | 0.9875 | 1.0126 |
2-methyl-butyric acid | 0.9372 | 1.0644 | 0.9943 | 0.8792 | 1.0142 |
2-oxo-3-methyl-pentanoic acid | 0.9131 | 1.0490 | 1.0947 | 0.9185 | 0.9562 |
2-oxo-4-methylvaleric acid | 0.9844 | 1.1065 | 1.1364 | 0.8845 | 0.8858 |
2-Piperidinecarboxylic acid | 1.0767 | 0.7546 | 1.2720 | 1.5384 | 0.8079 |
3,4-bishydroxybutanoic acid | 1.2202 | 0.8748 | 0.8520 | 1.4127 | 0.9923 |
3, 4 dehydroproline | 1.1597 | 0.9930 | 0.9960 | 0.8134 | 1.0236 |
3,6-Dioxa-2,7-disilaoctane, 2,2,4,7,7-pentamethyl- | 0.9386 | 0.6608 | 0.8660 | 0.4970 | 1.4691 |
3-amino-2-Piperidone | 0.8526 | 0.9730 | 0.9942 | 0.6284 | 1.1703 |
3-Aminosalicylic acid, TMS | 1.0158 | 1.0303 | 0.9754 | 0.9824 | 0.9971 |
3-Hydroxybutyric acid | 1.1783 | 0.7991 | 0.7059 | 1.0547 | 1.2503 |
3-hydroxyoxyisovaleric acid | 0.6711 | 0.7915 | 0.8876 | 1.4787 | 1.1413 |
3-hydroxypyridine | 1.0317 | 0.9549 | 0.9359 | 1.0522 | 1.0450 |
3-methyl-2-oxo-butanoic acid | 0.9765 | 1.0719 | 1.1501 | 0.9610 | 0.8785 |
3-Phosphoglyceric acid, TMS | 1.2205 | 0.9815 | 1.0091 | 0.9359 | 0.9706 |
4-Deoxypyridoxine | 1.1413 | 0.9843 | 0.9914 | 0.8084 | 1.0381 |
5-Hydroxy-tryptophan | 1.0724 | 0.9591 | 1.1903 | 0.9087 | 0.9182 |
5-Oxoproline | 0.6896 | 0.6540 | 0.6628 | 0.8162 | 1.5648 |
6-deoxy-mannose | 0.8544 | 1.1244 | 1.0997 | 0.8742 | 0.9326 |
9,12-Octadecadienoic acid (Z,Z)- | 0.9271 | 0.8678 | 0.6803 | 1.3781 | 1.1868 |
à-Aminoadipic acid | 0.7694 | 0.9531 | 1.1705 | 1.0090 | 0.9797 |
á-Amino isobutyric acid | 1.2274 | 0.9963 | 1.0287 | 0.9250 | 0.9505 |
à-Hydroxyisobutyric acid | 0.8818 | 1.0589 | 1.0541 | 0.9619 | 0.9697 |
a-ketoglutarate | 0.6198 | 0.5918 | 0.5946 | 0.7710 | 1.6782 |
Alanine | 0.8483 | 0.9472 | 1.0653 | 0.9029 | 1.0609 |
Alloisoleucine | 0.8614 | 1.0695 | 1.0214 | 0.9211 | 1.0004 |
Aminomalonic acid | 1.1875 | 0.9048 | 0.9299 | 0.9482 | 1.0735 |
Anthranilic acid | 1.1329 | 0.9841 | 0.9804 | 0.8168 | 1.0445 |
Arabinofuranose | 0.7645 | 1.3233 | 1.1199 | 0.7915 | 0.8394 |
Arachidonic acid | 0.7798 | 0.6942 | 0.6664 | 0.7398 | 1.5372 |
Asparagine | 1.1418 | 1.2664 | 1.3110 | 1.2447 | 0.5264 |
Aspartate | 0.4093 | 0.8728 | 0.4316 | 0.5359 | 1.7216 |
Benzoic acid | 0.6540 | 0.5203 | 0.5536 | 0.5138 | 1.8190 |
Beta-alanine | 1.1330 | 1.0287 | 0.8883 | 0.9646 | 1.0280 |
Cadaverine | 1.1365 | 1.0442 | 1.1220 | 1.1530 | 0.8156 |
Caproic acid | 0.8512 | 0.9129 | 0.9435 | 0.8269 | 1.1807 |
Cholesterol | 1.3035 | 1.0555 | 1.0783 | 0.9894 | 0.8431 |
cis-3-Hexenyllactate | 0.9882 | 0.9795 | 0.9857 | 0.9397 | 1.0433 |
Citric acid | 1.1853 | 0.9473 | 1.1038 | 0.9931 | 0.9256 |
Creatine | 0.9898 | 1.1023 | 1.0183 | 0.8267 | 0.9777 |
Cyclohexanone | 0.9636 | 0.9979 | 1.0251 | 0.9191 | 1.0194 |
Cyclohexyloxy | 0.9796 | 0.9853 | 1.0130 | 0.9324 | 1.0270 |
Cysteine | 1.2199 | 1.2200 | 1.1756 | 1.1514 | 0.6488 |
Cystine | 1.2587 | 1.1762 | 1.2394 | 1.2237 | 0.6060 |
Decanoic acid | 1.0071 | 0.8625 | 1.0865 | 1.5071 | 0.8800 |
D-Fructose | 0.8679 | 0.7427 | 1.5377 | 0.7105 | 0.9540 |
d-Galactose | 1.0828 | 1.0915 | 1.1959 | 0.6445 | 0.9068 |
D-Glucuronic acid | 0.7880 | 0.6805 | 1.2063 | 0.9485 | 1.1470 |
Dodecanoic acid | 0.9228 | 0.9747 | 1.0053 | 1.0074 | 1.0301 |
D-Ribofuranose | 0.9140 | 1.1283 | 1.0907 | 0.8815 | 0.9185 |
d-Xylose | 0.9853 | 0.7747 | 0.8717 | 1.3827 | 1.1124 |
Elaidic acid | 0.7412 | 0.6279 | 1.0979 | 1.1011 | 1.2135 |
Erythrose | 0.9132 | 1.0493 | 1.0694 | 0.9187 | 0.9716 |
Galactonic acid | 1.0084 | 1.0224 | 1.1800 | 0.9553 | 0.8857 |
Glucopyranose | 0.9494 | 1.0184 | 1.1975 | 0.7616 | 0.9508 |
Glutamate | 0.3633 | 0.3258 | 0.3079 | 0.5244 | 2.1658 |
Gluticol | 0.8085 | 0.9356 | 1.1192 | 0.9991 | 1.0159 |
Glyceraldehyde | 1.0142 | 1.0277 | 0.9594 | 1.0027 | 1.0029 |
Glyceric acid, TMS | 1.1506 | 0.9135 | 1.0713 | 0.8750 | 1.0119 |
Glycerol | 0.9121 | 0.9032 | 0.7932 | 1.3521 | 1.1057 |
Glycerolphosphate | 0.3485 | 0.2915 | 0.3266 | 0.3373 | 2.2367 |
Glycine | 1.0720 | 0.9208 | 0.8193 | 1.0486 | 1.1301 |
glycol | 1.1056 | 0.9453 | 0.9474 | 0.9788 | 1.0478 |
Glyoxylic acid | 1.1837 | 1.0981 | 1.2451 | 1.1390 | 0.6972 |
Heneicosanoic acid | 1.0359 | 0.9969 | 0.9885 | 0.9530 | 1.0144 |
Hexadecanoic acid | 0.8724 | 0.8194 | 0.7325 | 1.3088 | 1.2203 |
Hydroxycarbamic acid | 1.0438 | 0.9332 | 1.0096 | 0.7860 | 1.0909 |
Hypotaurine | 1.2532 | 1.3687 | 1.3963 | 1.2160 | 0.3885 |
Inositol | 1.1113 | 0.9117 | 1.1028 | 0.9411 | 0.9834 |
Isoleucine | 0.7988 | 0.8731 | 0.9172 | 0.9258 | 1.2058 |
Lactate | 0.6551 | 0.8052 | 0.7873 | 0.8902 | 1.3766 |
L-Homoserine | 0.7620 | 0.8468 | 0.9761 | 1.1285 | 1.1342 |
L-Leucine | 0.8792 | 1.0551 | 1.0138 | 0.9318 | 1.0068 |
L-Lysine | 0.8578 | 1.1123 | 1.0081 | 0.9172 | 0.9832 |
L-methionine | 0.8749 | 1.0493 | 1.0259 | 0.9105 | 1.0106 |
L-Ornithine | 1.1029 | 1.1322 | 0.9328 | 1.1888 | 0.8735 |
L-Threonic acid | 1.4391 | 0.8629 | 1.0242 | 0.9954 | 0.9650 |
L-Tryptophan | 0.9750 | 1.0349 | 1.0049 | 0.8841 | 1.0158 |
L-Tyrosine | 0.9282 | 1.0116 | 0.9979 | 0.9930 | 1.0139 |
Malate | 0.7978 | 0.8706 | 0.9625 | 0.9590 | 1.1696 |
Maleimide | 1.0014 | 0.9352 | 1.0164 | 1.1288 | 0.9924 |
Mannitol | 0.7137 | 1.4189 | 1.3909 | 1.2027 | 0.4984 |
Methylcysteine | 0.8945 | 0.9425 | 1.0948 | 1.3003 | 0.9139 |
Myo-Inositol | 1.1444 | 0.9726 | 1.0980 | 1.0233 | 0.9139 |
Myristic acid | 0.9379 | 0.8042 | 0.7441 | 1.6372 | 1.1072 |
Myristoleic acid | 0.8545 | 1.0109 | 0.9974 | 0.6104 | 1.1488 |
N-Acetyl glucosamine | 1.0813 | 0.9698 | 1.0472 | 0.9688 | 0.9794 |
N-acetyl-glycine | 1.3835 | 0.8697 | 0.8748 | 0.8617 | 1.1074 |
N-Acetylneuraminic acid | 1.1157 | 1.0760 | 1.2498 | 1.0111 | 0.7643 |
N-formyl-glycine | 0.6355 | 0.9784 | 1.0850 | 0.8439 | 1.0997 |
Nicotine | 0.9979 | 1.0171 | 0.9941 | 0.9415 | 1.0109 |
Nicotinic acid | 1.0100 | 1.0246 | 0.8255 | 1.0560 | 1.0725 |
N,N-Dimethyl-2-isopropoxyethylamine | 1.0521 | 0.9770 | 1.0072 | 1.0908 | 0.9699 |
Nonanoic acid | 0.9321 | 0.8882 | 0.8898 | 0.9172 | 1.1823 |
Octadecanoic acid | 0.9442 | 0.8617 | 0.8271 | 1.0398 | 1.1980 |
Octanoic acid | 1.0080 | 0.8528 | 1.1335 | 1.2647 | 0.9302 |
Olic acid | 0.9984 | 0.9130 | 0.6702 | 1.4728 | 1.1174 |
Ornithine | 0.8975 | 0.9663 | 1.1938 | 1.0358 | 0.9167 |
Oxalic acid | 1.1042 | 0.9876 | 0.9920 | 0.8433 | 1.0344 |
Oxanilic acid | 1.2630 | 0.9605 | 0.8793 | 0.7916 | 1.0974 |
Palmitoleic acid | 1.0560 | 0.6948 | 0.5841 | 1.1550 | 1.3931 |
Parabanic acid | 0.8202 | 0.9606 | 1.0852 | 0.8118 | 1.0746 |
Phenylalanine | 0.9146 | 0.9865 | 0.9911 | 0.9142 | 1.0615 |
Picolinic acid | 1.1422 | 0.7908 | 1.1396 | 0.7806 | 1.0794 |
Proline | 0.8354 | 1.0138 | 1.0624 | 0.9507 | 1.0086 |
Pseudo uridine | 0.9733 | 0.8901 | 0.9923 | 1.1727 | 1.0301 |
Pyrrole-2-carboxylic acid | 1.0766 | 0.7657 | 1.1707 | 0.9009 | 1.0563 |
Pyruvate | 0.9641 | 1.2300 | 1.2248 | 1.2327 | 0.6513 |
Ribitol | 1.0391 | 0.8940 | 1.0050 | 1.6879 | 0.8473 |
sarcosine | 1.6788 | 1.0213 | 0.9703 | 1.3874 | 0.7177 |
Serine | 0.9148 | 0.9837 | 0.9517 | 0.9482 | 1.0774 |
Sorbose | 1.1456 | 1.0161 | 0.9806 | 0.9022 | 0.9948 |
Succinate | 0.9252 | 0.7183 | 0.8933 | 0.7215 | 1.3506 |
Threitol | 0.9608 | 0.8582 | 0.9651 | 0.9916 | 1.1254 |
Threonine | 0.8205 | 0.9242 | 0.8923 | 0.9189 | 1.1849 |
Urea | 1.1422 | 0.9967 | 0.9733 | 1.1128 | 0.9490 |
Uric acid | 0.9250 | 0.9489 | 0.8677 | 1.0852 | 1.1077 |
Xylitol | 1.0063 | 0.9970 | 1.0540 | 0.8673 | 1.0071 |
Factors:
F1 | Diagnosis:Breast cancer | Stage:1 |
F2 | Diagnosis:Breast cancer | Stage:2 |
F3 | Diagnosis:Breast cancer | Stage:3 |
F4 | Diagnosis:Breast cancer | Stage:4 |
F5 | Diagnosis:Control | Stage:- |