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

(Analysis AN000583)

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

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MetaboliteF1F2F3F4
1,11-Undecanedicarboxylic acid 0.0522 0.0536 0.0940 3.5456
1-Methylxanthine 1.0986 1.1067 1.1413 0.5946
20-Carboxyleukotriene B4 0.4188 0.1758 0.2521 2.6181
2,4-Dichlorophenol 0.9761 1.0369 1.0701 0.8388
2,8-Dihydroxyadenine 0.9464 1.1184 1.0849 0.6908
2-Aminobutyric acid 0.2099 0.3640 0.3530 3.1391
2-cholo-phenylalanine 0.9532 1.0863 0.9587 0.9325
2-Deoxyribonic acid 1.0419 1.0992 1.1146 0.6581
2-Furoylglycine 0.7399 0.7802 0.7639 1.7628
2-Hydroxy-2-methylbutyric acid 0.9738 1.0771 1.0122 0.8622
2-Hydroxyethanesulfonate 0.9436 1.0375 1.1042 0.7924
2-Methyl-3-hydroxy-5-formylpyridine-4-carboxylate 0.8322 0.8886 0.8998 1.3641
2-Phenylacetamide 1.0737 0.8313 1.2545 0.8720
3,3^,4^5-Tetrahydroxystilbene 0.7348 1.1236 0.9915 0.8649
3,4,5-Trimethoxycinnamic acid 1.3115 1.3443 1.0771 0.2674
3b,16a-Dihydroxyandrostenone sulfate 0.6703 0.9471 0.7509 1.5250
3-Furoic acid 1.1453 0.9101 1.0049 1.1094
3-Indolebutyric acid 0.5549 0.4822 0.4696 2.7254
3-Methylglutaconic acid 1.1897 1.1769 1.0842 0.5503
3-Pyridinebutanoic acid 0.7305 0.7578 0.7691 1.7928
3-Pyridylacetic acid 0.5290 1.0663 0.9517 1.0574
4-Hydroxybenzoic acid 0.1532 0.1541 0.1770 3.7759
4-Hydroxybutyric acid 0.9866 1.0246 1.0415 0.8999
4-hydroxy-proline 1.0388 1.0337 1.0184 0.9102
4-methyl-2-oxovaleric acid 1.1517 1.1637 1.1807 0.4326
5-Acetylamino-6-formylamino-3-methyluracil 1.0822 1.0244 1.0411 0.8824
5-Amino-6-ribitylamino uracil 0.3338 0.4710 0.4753 2.7776
5-Methyldeoxycytidine 1.1758 1.1462 1.3592 0.1857
5^-Phosphoribosyl-N-formylglycinamide 1.0964 1.1739 1.2372 0.3412
6-Hydroxynicotinic acid 0.2910 0.3037 0.3305 3.2753
7b-Hydroxydehydroepiandrosterone 1.8418 1.0790 1.2608 0.3142
Acetylcarnitine 1.0265 1.0374 1.0417 0.8713
Acetylglycine 0.8404 1.0508 0.9152 1.0776
Allyl isothiocyanate 1.2475 1.2667 1.2132 0.1986
Alpha-N-Phenylacetyl-L-glutamine 1.0695 0.9893 1.0382 0.9458
Androstenedione 0.7473 1.0201 1.0600 0.9255
Arabinose 0.5728 0.9593 0.9253 1.2616
Arginine 0.6363 0.6142 0.6177 2.2722
Aspartic acid 0.4363 0.6045 0.5917 2.3661
Benzaldehyde 0.8068 0.8722 0.8569 1.4605
Beta-alanine 0.9782 0.9728 0.9814 1.0764
Betaine 0.9836 0.9641 0.9919 1.0735
Biflorin NA 0.0146 0.2155 1.1508
Bilirubin 1.2291 1.2545 1.2266 0.0481
B-Sulfinyl pyruvate 0.9997 1.0193 1.0764 0.8531
But-2-enoic acid 1.2518 1.2353 1.2942 0.1257
Butyrylcarnitine 1.0176 0.9594 1.2494 0.6734
Carnitine 1.1044 1.1265 1.1755 0.5097
choline 0.3664 0.4620 0.4673 2.7981
cis-5-Tetradecenoylcarnitine 1.2252 1.1807 1.0205 0.6339
Citrulline 0.9029 0.9418 0.9484 1.1910
Coproporphyrin 1.0630 1.1933 1.4217 0.0366
Cortisol 1.0764 0.9431 1.0805 0.9576
creatinine 0.9877 1.0002 1.0241 0.9655
Cysteinylglycine 0.7142 0.8400 1.0642 1.2161
Cytidine 0.5033 0.7447 0.7869 1.8227
D-Alanyl-D-alanine 0.9860 1.0109 1.0440 0.9184
Decanoylcarnitine 1.8728 1.2180 1.0865 0.3483
Delta-hydroxylysine 1.1010 1.1258 1.1799 0.5048
D-Glucuronic acid 0.8717 0.9906 1.0743 0.9273
Dihydrothymine 0.5200 1.1218 1.4233 0.2547
Dihydrouracil 0.9559 0.9004 0.9117 1.3030
Dimethylallylpyrophosphate 0.8645 0.9684 0.9059 1.2199
Dimethylbenzimidazole 0.5552 0.5792 0.6033 2.3662
Dimethyl sulfone 0.2277 1.0694 1.5256 0.2406
Dimethyl sulfoxide 0.9464 1.0242 1.0822 0.8468
Dimethyltryptamine 1.3916 0.9641 1.1363 0.7755
DL-2-Aminooctanoic acid 0.9593 1.1953 0.9802 0.7228
Dodecanoylcarnitine 1.2878 1.1805 1.0119 0.6352
dUMP 0.8384 0.9647 1.0489 1.0141
Ecgonine 0.8405 0.8724 0.9767 1.2720
Estradiol-17beta 3-sulfate 1.0159 1.0304 1.0907 0.8104
Estrone sulfate 0.6137 1.0019 0.8401 1.3093
Galactose 1.1126 1.1320 1.0948 0.6089
Gluconate 0.2524 0.2991 0.3475 3.2645
Glutamine 1.0951 1.1276 1.2346 0.4201
Glutamylphenylalanine 0.6086 0.7605 0.8302 1.7194
Glutarylglycine 0.9432 0.9579 0.9387 1.1718
Glutathione 0.9353 0.8875 0.9420 1.2819
Glycine 0.7938 0.8420 0.8402 1.5370
Glycocholic acid 3.7954 0.8509 1.0008 0.6981
Glycolic acid 0.9407 0.9616 0.9981 1.0764
Guanidinosuccinic acid 1.0883 0.9677 1.0101 1.0169
Heptadecanoic acid 1.0219 0.9673 1.0191 1.0196
Hexanoylcarnitine 1.6216 1.1171 1.1528 0.4592
Hippuric acid 1.0637 0.8184 1.2620 0.8834
Histidine 0.9373 1.0418 1.0076 0.9332
Histidylproline diketopiperazine 1.0349 1.0601 1.0626 0.8014
Homocysteic acid 0.8205 0.8673 1.4065 0.6281
Homoserine 1.0060 0.8641 0.9105 1.3536
Hydrogen sulfite 1.3168 1.0618 0.9177 0.9638
Hypoxanthine 0.6367 1.0016 0.9557 1.1349
Indole 0.9612 0.9926 0.9367 1.1155
Indole-5,6-quinone 1.4207 1.1716 1.1851 0.3612
Indoleacrylic acid 0.9893 1.0023 0.9823 1.0250
Indoxyl 0.8343 0.8777 0.9042 1.3746
Indoxyl sulfate 1.0029 0.9545 0.9866 1.0931
Isohomovanillic acid 0.9944 1.0236 0.8834 1.1397
Isovalerylsarcosine 0.9093 1.0533 0.9519 1.0046
-Ketoglutaric acid 1.0275 1.1825 1.3212 0.2133
Kynurenine 0.8760 1.0433 1.0903 0.8173
Lactic acid 0.8500 0.9647 1.0037 1.0804
L-arginine 1.0114 0.9814 0.9733 1.0682
L-beta-aspartyl-L-phenylalanine 1.0515 1.2839 1.2808 0.1064
Leucine 0.7670 0.7790 0.7290 1.8123
Leucinic acid 0.9367 0.9689 1.0093 1.0483
L-glycyl-L-hydroxyproline 0.8732 1.0489 1.0264 0.9056
L-Rhamnose 0.7232 0.9502 0.9525 1.2059
L(-)-Sorbose 1.0545 1.0832 1.0744 0.7424
LysoPC(16:0) 1.4643 1.1854 0.9651 0.6641
LysoPC(16:1(9Z)) 1.3984 1.0367 1.0102 0.8467
LysoPC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 1.9004 0.8051 1.0343 1.0828
Mannitol 1.0057 0.8937 0.9611 1.2293
Mannitol 1-phosphate 1.0270 1.0378 1.0099 0.9188
Mannose 0.8164 0.9924 0.9970 1.0524
Mesaconic acid 1.2820 1.2429 1.3110 0.0821
Methionine sulfoxide 0.2637 0.1924 0.2955 3.2659
Methylacetoacetic acid 1.3402 1.2251 1.2983 0.1188
Methylguanidine 1.0079 1.0833 1.1891 0.5774
Methylmalonic acid 0.4224 0.4701 0.4508 2.7991
Methylnoradrenaline 1.2177 1.2229 1.2224 0.2611
Mevalonolactone 1.1614 1.2202 1.2670 0.2089
Monoisobutyl phthalic acid 1.1176 1.1136 1.3493 0.2681
Myoinositol 0.8078 1.1544 0.9466 0.8690
N1-Methyl-4-pyridone-3-carboxamide 1.0373 0.8993 1.2736 0.7405
N-a-Acetyl-L-arginine 1.0213 0.8710 1.1458 0.9828
N-Acetylgalactosamine 4-sulphate 0.7092 0.9139 0.9652 1.2479
N-Acetylneuraminic acid 0.5441 0.6683 0.7149 2.0556
N-Formyl-L-methionine 0.8759 1.0019 0.9798 1.0516
N-Glycolylneuraminic acid 1.2098 1.1078 1.1191 0.6050
Nicotinic acid mononucleotide 0.9640 0.9629 0.9502 1.1423
Norepinephrine sulfate 0.7377 0.8228 0.8696 1.5343
Norophthalmic acid 1.0971 1.2220 1.2554 0.1832
Octanoylcarnitine 1.9991 1.1766 1.1181 0.3428
Ornithine 0.9424 0.9700 0.9411 1.1488
p-Cresol 1.3108 1.0588 0.9063 0.9872
Phenylglyoxylic acid 1.0167 0.9852 1.0836 0.8939
Phenylpropionylglycine 0.8607 0.9844 0.8982 1.2064
phospholic choline 1.0644 0.9887 1.0379 0.9483
Pipecolic acid 0.8444 1.0008 1.2320 0.6771
Pregnenolone sulfate 0.9537 1.0546 0.9433 1.0066
Progesterone 1.2257 1.1738 1.0398 0.6157
Proline 0.9190 0.9314 1.0020 1.1232
Proline betaine 1.1477 1.3617 1.1074 0.2252
Propionic acid 1.0206 0.8937 0.9509 1.2418
Pseudouridine 0.8909 0.9870 0.9951 1.0495
Pyrrolidonecarboxylic acid 0.8217 0.9427 1.2995 0.6728
Quinone 1.0872 1.0803 1.1094 0.6876
Riboflavin 1.4138 1.0744 1.1232 0.6131
Ribothymidine 0.2817 0.3282 0.3965 3.1375
Sebacic acid 0.8588 0.8727 1.0570 1.1462
Se-Methylselenocysteine 0.9090 1.0722 1.1912 0.6113
Sertraline 0.9402 1.1125 1.2467 0.4560
Sorbose 0.8164 0.9924 0.9970 1.0524
Sphingosine 0.3416 0.4126 0.4517 2.8329
Suberic acid 0.8710 0.8989 0.9370 1.2836
Succinic acid semialdehyde 1.0986 1.1347 1.1544 0.5296
Succinyladenosine 1.1041 1.1420 1.1035 0.5939
Taurine 0.9056 1.0969 1.2457 0.4895
Testosterone 1.6670 1.0741 1.2452 0.3797
Tetrahydroneopterin 1.2173 1.0771 1.2051 0.5227
Thiamine 1.1773 0.9701 0.9800 1.0443
Traumatic acid 1.0830 0.9624 1.2054 0.7332
Trimethylamine 0.6909 0.7910 0.8611 1.6076
Trimethylamine N-Oxide 0.9684 1.0001 1.1541 0.7723
Tryptophan 0.9916 0.9973 0.9873 1.0252
Tyramine-O-sulfate 1.0300 1.0080 1.0431 0.9159
uracil 0.8357 0.9589 1.0462 1.0281
Urea 0.8698 1.0142 1.0799 0.8811
uric acid 1.0076 0.9709 0.9836 1.0704
Valine 1.0045 0.9211 0.9617 1.1845
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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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