Data for GC/MS and LC/MS metabolomics profiling for breast cancer serum data and control serum data (Study ST000356)

(Analysis AN000582)

Values for each metabolite have been scaled by dividing by the mean across all factors

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MetaboliteF1F2F3F4
11,14-Eicosadienoic acid 0.9170 0.7316 0.8679 1.6492
1,4-Butanediamine 1.1907 0.8874 0.8440 1.3725
1H-Indole-3-acetic acid 1.1953 0.8841 0.9375 1.2439
1-Monooleoylglycerol 0.5182 0.8111 1.7833 0.2104
1-Monopalmitin 0.9044 0.9079 1.0480 1.0943
1-stearoyl-rac-glycerol 0.9562 0.7521 1.0111 1.3915
2,3-Dihydroxybutanoic acid 0.8374 0.8098 0.7933 1.6516
2-deoxy-3,4,5-tris-O-(trimethylsilyl)pentonate 0.4402 0.7057 0.7240 2.0016
2-Hydroxy-3-methylbutyric acid 0.8196 0.7904 0.7785 1.7089
2-hydroxybutyric acid 1.0004 0.9989 1.0157 0.9779
2-oxo-3-methylbutanoate 1.0461 1.0041 0.9912 0.9978
2-oxo-3-methylvaleric acid 1.2133 1.2635 1.2679 0.1275
2-oxo-4-methylvaleric acid 1.2263 1.2519 1.3231 0.0600
2-Piperidinecarboxylic acid 0.6276 0.7820 1.1781 1.1536
2-Piperidone, 3-amino 0.6877 0.6413 0.5762 2.2816
2-pyrrolidone-5-carboxylic acid 1.0176 0.8480 0.9501 1.3175
3,6-Dioxa-2,7-disilaoctane, 2,2,4,7,7-pentamethyl- 0.3826 0.7988 1.3903 0.8523
3-Hydroxybutyric acid 0.6781 0.9113 0.7623 1.5657
3-hydroxyisobutyric acid 1.0950 0.9958 1.0484 0.9150
3-hydroxyoxyisovaleric acid 0.9851 0.8657 0.8729 1.4122
3-hydroxypyridine 1.0205 1.0068 0.9732 1.0257
4-(acetylamino)phenyl-Glucopyranosiduronic acid 1.1679 0.8682 1.5729 0.3115
4-aminobutyric acid 1.6188 0.9922 0.7855 1.2180
4-Hydroxyphenyllactic acid 0.3486 0.8352 1.3607 0.8449
4-Ketoglucose 1.2904 0.7871 1.1554 1.0516
(5-Amino-1H-tetraazol-1-yl)acetic acid 0.8639 0.7587 0.9032 1.5623
5-Deoxypyridoxal 0.9558 0.9797 1.0135 1.0208
5-oxoproline 0.6943 0.7467 0.7878 1.7895
6-hydroxy-2-aminohexanoic acid 0.4314 0.7833 1.3137 0.9699
Alanine 0.8821 0.8450 0.9046 1.4173
Aminoadipic acid 0.6097 0.9259 1.2227 0.8574
Aminomalonic acid 0.7895 0.7755 0.8488 1.6321
Anthranilic acid 0.6759 0.7815 0.7580 1.7820
Arabitol 0.9273 0.8244 0.8965 1.4543
Arachidonic acid 0.4702 0.6331 0.6102 2.2853
Asparagine 1.0068 1.0517 1.1518 0.6852
Cadaverine 1.2257 1.2205 0.8928 0.7632
Caproic acid 0.5215 0.5822 0.5866 2.3933
Cholesterol 0.9842 0.9692 1.1537 0.8197
Citric acid 1.0401 0.9138 1.0136 1.1112
Creatinine 1.1478 1.0535 1.1375 0.6766
Cyclohexanone 0.1121 0.0815 2.7290 0.0319
Cyclohexyloxy 0.9330 0.9721 1.0375 1.0023
Cystine 1.2935 1.1639 1.2981 0.2268
cytosine 1.0090 1.0219 0.9678 1.0117
Decanoic acid 1.0326 1.0041 1.0619 0.8932
Decosahexaenoic acid 0.8009 0.6324 0.5220 2.3562
D-Gluconic acid 0.9678 0.8237 0.8687 1.4896
Elaidic acid 1.3520 0.7425 0.9234 1.4634
Erythrotetrofuranose 0.7168 0.9174 0.8479 1.4187
Ethanolamine 0.7437 0.7697 0.6934 1.8859
Fructose 1.5665 0.8205 0.9452 1.2629
Glucopyranose 0.8153 1.0103 1.1682 0.7642
Glucose 0.7827 0.8883 0.9504 1.2975
Glutamate 0.2737 0.3817 0.3174 3.1728
Glutaric acid 0.6339 0.6934 0.5335 2.2727
Glyceric acid 0.7321 0.8851 0.9569 1.3012
Glycerol 0.4839 0.6265 0.5415 2.3974
glycerol phosphate 0.6919 0.8053 0.8056 1.6683
glycol 0.9877 0.9844 1.0303 0.9825
Hexadecanoic acid 0.6320 0.7850 0.7483 1.7995
Hydroxy, acetic acid 0.9642 0.9078 0.8720 1.3498
Hydroxyglutaric acid 0.9550 1.1402 1.2493 0.4047
Inositol 0.7204 1.0505 1.2470 0.5981
Isoleucine 0.9367 0.9060 0.8241 1.4306
L-2-aminobutyric acid 1.1050 1.0515 1.0509 0.8194
laurate 0.7472 0.9191 1.0375 1.1226
Linolic acid 0.4665 0.8068 0.7070 1.8591
L-Val-L-Leu 0.2186 0.2518 0.2614 3.4778
Lysine 0.9647 0.9249 0.8560 1.3464
Malic acid 0.4630 0.5708 0.7164 2.2261
Maltose 0.2244 1.7279 0.6045 0.5756
Mannonic acid, lactone 1.1353 1.0447 1.0523 0.8224
Methionine 1.1589 1.1167 1.0501 0.7052
Methyltyrosine 1.0245 0.8997 0.6930 1.6225
Myo-Inositol, phosphate 0.9755 0.9440 1.0205 1.0639
N-Acetyl-L-aspartic acid 0.5625 0.8207 1.0173 1.3475
N-Acetyl-L-Lysine 0.7394 0.8365 0.8598 1.5222
Nicotinic acid 1.2027 1.1096 0.8028 1.0830
N,N-Dimethylglycine 0.8800 0.9697 1.0211 1.0402
Octadecanoic acid 0.7636 0.8671 0.7686 1.5669
Oleamide 1.6614 1.4264 0.9157 0.2891
Oleic acid 0.6891 0.9395 0.8496 1.3858
Palmitelaidic acid 0.6065 0.7516 0.7022 1.9283
Phenylalanine 0.7638 0.7349 0.7136 1.9076
Phosphate 0.9857 0.9936 1.0034 1.0079
Phthalic acid 1.0834 1.0184 0.9672 1.0039
Proline 0.9718 0.9421 0.8774 1.2847
pyruvic acid 1.1341 1.1779 1.4503 0.0045
Salicylic acid 0.0331 0.0291 0.0227 4.2348
Serine 0.7778 0.7163 0.6382 2.0492
Spirophosph-Glucopyranoside 0.4265 1.1288 0.5911 1.5274
Succinic acid 0.4455 0.5559 0.4461 2.6635
Tetradecanoic acid 0.4573 0.8900 0.8043 1.5791
Threonic acid 0.8715 1.1708 1.3101 0.2891
Threonine 1.0055 0.8722 0.8037 1.5027
thymine 0.9993 1.0284 0.9627 1.0108
Trehalose 0.7165 0.8779 0.9949 1.2595
Tyrosine 0.9970 0.8921 0.8752 1.3638
vitamin E 1.3806 1.0690 1.3912 0.2220
Xylitol 0.7922 0.8357 0.7943 1.6171
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Factors:

F1Diagnosis:breast cancer | stage:-
F2Diagnosis:breast cancer | stage:2
F3Diagnosis:breast cancer | stage:3
F4Diagnosis:control | stage:-
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