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

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MetaboliteF1F2F3F4F5
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
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Factors:

F1Diagnosis:Breast cancer | Stage:1
F2Diagnosis:Breast cancer | Stage:2
F3Diagnosis:Breast cancer | Stage:3
F4Diagnosis:Breast cancer | Stage:4
F5Diagnosis:Control | Stage:-
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