Data for (Study ST001048)

(Analysis AN001716)

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

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MetaboliteF1F2F3F4
1-Aminocyclopropanecarboxylate 0.7349 2.2262 NA 0.1315
1-Methyladenosine_R1 1.0157 0.7932 1.2446 0.9385
1-Methyladenosine_R2 1.0182 0.7694 1.1798 0.9615
1-Methyl-L-Histidine 0.9433 1.5653 0.5790 1.1710
1-Methylnicotinamide 1.0317 0.9732 0.7772 0.8836
1-Methyluric Acid 0.6639 2.8070 4.8454 0.6642
2-Aminophenol_R1 0.4902 3.5882 6.8517 0.4785
2-Aminophenol_R2 0.5875 2.2038 4.2433 0.2881
2-Deoxy-D-Glucose_R1 0.9599 1.2343 1.7490 0.8386
2-Deoxy-D-Glucose_R2 0.9520 1.1400 1.6772 0.9825
2-Hydroxypyridine_R1 0.9495 1.5911 1.4329 0.6538
2-Hydroxypyridine_R2 0.9445 1.4302 1.4400 0.6690
2-Oxobutanoate 0.9348 1.0376 2.0702 1.0216
2-Quinolinecarboxylate 0.9398 1.5718 1.3664 0.8549
3-(2-Hydroxyphenyl)Propanoate_R1 0.9801 1.2311 0.8591 1.0359
3-(2-Hydroxyphenyl)Propanoate_R2 1.0196 1.1835 0.9254 0.8984
3,4-Dihydroxybenzoate 1.1500 0.7583 0.5447 0.6643
3-(4-Hydroxyphenyl)Pyruvate 1.1253 0.8401 0.5318 0.7489
3-(4-Hydroxyphenyl)Pyruvate / Caffeate 1.1546 0.7033 0.3301 0.3864
3-Amino-4-Hydroxybenzoate_R1 0.9970 0.8661 1.3516 0.9783
3-Amino-4-Hydroxybenzoate_R2 0.9889 0.9166 1.4155 0.9763
3-Amino-5-Hydroxybenzoate_R1 1.6363 1.1709 0.5506 0.2951
3-Amino-5-Hydroxybenzoate_R2 1.6463 1.2406 0.6392 0.3017
3-Hydroxy-3-Methylglutaryl-Coa 0.9554 1.0764 1.1070 1.0950
3-Hydroxyanthranilic acid_R1 1.0364 0.5431 0.9400 1.0783
3-Hydroxyanthranilic acid_R2 1.0097 NA 0.6424 0.7843
3-Methoxytyramine_R1 2.0186 0.4162 NA 0.4555
3-Methoxytyramine_R2 2.4833 0.3641 NA 0.3828
3-Methoxytyrosine 1.0968 0.6338 0.4577 0.8626
3-methylhistamine_R1 0.9951 0.8575 1.2311 1.0420
3-methylhistamine_R2 0.9943 0.8615 1.2323 1.0442
3-Nitro-L-Tyrosine_R1 0.9971 0.9822 1.0467 1.0139
3-Nitro-L-Tyrosine_R2 0.9937 0.9799 1.1645 0.9948
4-Acetamidobutanoate_R1 0.9850 1.1572 0.9994 0.9983
4-Acetamidobutanoate_R2 0.9841 1.1324 1.0132 1.0163
4-Aminobenzoate / Anthranilate 0.9551 1.1438 1.3954 1.0645
4-Guanidinobutanoate 1.4740 0.0892 0.0408 0.0677
4-Hydroxybenzaldehyde_R1 0.9378 1.2787 1.5096 1.0507
4-Hydroxybenzaldehyde_R2 0.9380 1.2596 1.5446 1.0489
4-Hydroxybenzoate 1.1369 0.3473 NA 0.6693
4-Imidazoleacetate 1.6769 NA 0.5182 0.1935
4-Pyridoxic acid 1.0222 1.0015 0.9073 0.8809
4-Pyrodixic acid / Xanthurenate 1.0060 1.0616 0.9432 0.9388
5-aminolevulinic acid 1.0673 0.3907 0.4818 1.1434
5-Hydroxylysine 1.0556 0.4137 NA 0.5091
5-Hydroxytryptophan 0.9999 0.7270 1.1311 1.0763
5-Methylcytosine_R1 1.0236 0.6541 1.2396 0.9784
5-Methylcytosine_R2 1.0167 0.7306 1.1866 0.9946
6-Hydroxynicotinate_R1 0.8602 2.6099 1.2687 0.6412
6-Hydroxynicotinate_R2 0.8976 1.7687 1.8626 0.7189
Acetaminophen 0.4492 1.7336 1.7351 0.0250
Adenine_R1 1.0278 0.4503 1.2795 1.0706
Adenine_R2 1.0272 0.4679 1.3080 1.0300
Adenosine 2^,3^-Cyclic Phosphate 3.6082 0.6740 NA NA
Adenosine_R1 1.0389 0.4266 1.2336 1.0274
Adenosine_R2 1.0667 0.4024 1.2565 1.0507
Adrenaline(Epinephrine)_R1 1.0052 1.0236 0.8472 1.0059
Adrenaline(Epinephrine)_R2 0.9688 1.2222 0.8969 1.0699
Alanine / D-Alanine 1.0416 0.7941 0.9118 0.8843
Allantoin_R1 1.0731 0.6885 0.7571 0.7959
Allantoin_R2 1.0623 0.7992 0.8225 0.7720
Aminoadipate 1.0241 0.9473 1.3482 0.7392
Aminocaproate_R1 1.0299 0.6684 0.9973 1.0169
Aminocaproate_R2 1.0257 0.6589 1.0355 1.0371
Aniline-2-Sulfonate 1.6385 0.6398 0.8981 NA
Anserine_R1 1.2749 0.2561 0.2627 0.4325
Anserine_R2 1.3029 0.2452 0.2645 0.3908
Asparagine_R1 1.0705 0.2622 0.9186 1.0379
Asparagine_R2 1.1196 0.2689 0.9847 1.0829
Asymmetrical dimethylarginine_R1 1.0156 0.8524 0.9994 0.9911
Asymmetrical dimethylarginine_R2 1.0973 0.9106 1.1079 1.0895
Betaine/L-Valine/Norvaline_R1 0.9604 1.6537 0.6858 0.9541
Betaine/L-Valine/Norvaline_R2 0.9590 1.6362 0.7316 0.9584
Biopterin_R1 0.8881 2.2065 1.0620 0.9416
Biopterin_R2 0.8887 2.2468 1.0509 0.9152
Caffeine_R1 0.4780 2.3344 7.1944 0.3104
Caffeine_R2 0.4512 2.4025 7.4719 0.3135
Carnitine_R1 1.0137 1.3255 0.0265 1.0542
Carnitine_R2 0.9544 1.2815 1.5174 1.0134
Carnosine_R1 1.1645 0.1899 0.1603 0.7237
Carnosine_R2 1.1904 0.1573 0.1338 0.6847
Choline_R1 0.9998 0.9916 NA 1.0072
Choline_R2 0.9924 1.0099 1.3266 1.0061
cis-4-hydroxy-D-proline 1.1591 0.5220 0.6489 0.2696
Citrulline_R1 0.9815 1.1705 1.1266 0.9657
Citrulline_R2 0.9720 1.2291 1.2112 0.9609
Cortisol 1.0144 0.8917 1.0023 0.9722
Cortisol 21-Acetate 0.9340 0.6838 1.8892 1.1336
Cortisone 0.9520 1.4540 0.9182 1.0605
Cotinine 0.0197 0.6236 2.1048 NA
Cotinine N-oxide NA 0.5591 1.7838 NA
Creatinine 0.9743 1.1797 1.2179 0.9752
Cyclic AMP 1.0554 0.3044 1.1512 1.0672
Cyclic AMP (Adenosine 3^,5^-cyclic monophosphate) 1.0513 0.2923 1.1477 1.0635
Cyclic GMP_R1 1.0311 0.6545 0.9258 1.0443
Cyclic GMP_R2 1.0330 0.6371 0.9215 1.0445
Cystathionine 0.9016 0.9257 1.2171 0.5985
Cytidine 2^,3^-Cyclic Phosphate_R1 0.5353 1.6158 0.1118 NA
Cytidine 2^,3^-Cyclic Phosphate_R2 0.2849 2.3508 0.1073 0.1087
Cytidine_R1 2.5673 0.4116 1.1773 0.8033
Cytidine_R2 1.0466 0.4983 1.2223 0.9559
Cytosine 0.9233 1.4992 1.7479 0.9142
Deoxycarnitine_R1 0.8675 2.7304 NA 0.7570
Deoxycarnitine_R2 0.8341 2.8577 1.1813 0.8205
Deoxycytidine_R1 1.0408 0.8935 0.7394 0.8881
Deoxycytidine_R2 1.0498 0.6316 0.8701 0.9647
D-Glucuronolactone 1.0532 0.3314 0.3792 1.0385
Diethanolamine 1.0722 0.5582 0.8392 0.8584
Dihydrobiopterin_R1 1.0299 0.4586 1.4323 0.9932
Dihydrobiopterin_R2 1.0331 0.4450 1.4029 0.9915
Dihydrouracil_R1 1.0001 1.1101 0.9259 0.9535
Dihydrouracil_R2 1.0049 1.1151 0.7621 0.9675
Dimethylglycine_R1 1.0016 1.0111 0.9688 0.9936
Dimethylglycine_R2 0.9968 1.0151 0.9637 1.0254
D,L Glucosamine (A) / D,L Galactosamine (A) / D-Mannosamine 1.0450 0.7355 1.0539 0.8469
D,L Glucosamine (B) / D,L Galactosamine (B) 1.0906 0.5287 0.6609 0.6345
D/L Glucosamine / D/L Galactosamine 1.0872 0.5831 0.6806 0.7983
D/L Glucosamine / D/L Galactosamine / D-Mannosamine 1.0359 0.8314 1.0213 0.8573
D/L N-Acetylglucosamine (A)_R1 1.0458 0.3001 0.7814 1.0553
D/L N-Acetylglucosamine (A)_R2 1.0005 NA 0.1659 1.0366
D/L N-Acetylglucosamine / D/L N-Acetylgalactosamine / D/L N-Acetylmannosamine 1.0866 0.2223 0.4775 1.1193
D-Mannosamine_R1 1.0761 0.6897 0.8769 0.7301
D-Mannosamine_R2 1.1041 0.5151 0.7309 0.7473
D-Ornithine 1.1159 0.7908 0.4497 0.4121
Ectoine_R1 1.0134 1.1154 0.8879 0.8861
Ectoine_R2 0.9963 1.1746 0.9448 0.9297
Galactitol_R1 0.9526 1.1607 1.6875 0.9611
Galactitol_R2 0.9552 1.2294 1.5312 0.9501
Galacturonate 0.9519 1.2516 1.5124 0.9705
Gamma-aminobutyrate / Aminoisobutanoate / 2-Aminoisobutyrate 0.9867 1.2157 0.4520 1.1528
Gluconate 1.0638 1.0643 0.8894 0.5349
Glucose NA 1.1982 0.6476 NA
Glutarylcarnitine_R1 1.0263 1.3256 0.1097 0.9359
Glutarylcarnitine_R2 0.9481 1.2680 1.7702 0.8896
Glycine_R1 1.0087 0.9991 0.7809 1.0228
Glycine_R2 1.0057 1.0202 0.7806 1.0295
Glycochenodeoxycholate_R1 0.9850 1.2541 0.8286 0.9981
Glycochenodeoxycholate_R2 0.9981 1.2419 0.6611 0.9784
Glycocholate 1.0192 0.9163 1.0193 0.9169
Guanidinoacetate_R1 1.0097 1.0073 0.7548 1.0204
Guanidinoacetate_R2 1.0893 1.0853 0.8020 1.1109
Guanidinosuccinate_R1 1.0458 0.9103 0.7189 0.8502
Guanidinosuccinate_R2 1.0890 0.9503 0.7529 0.8862
Guanine_R1 1.0727 0.2070 0.9182 1.0593
Guanine_R2 1.0153 1.0102 0.7185 0.8466
Guanosine_R1 1.0102 0.7448 1.1409 1.0474
Guanosine_R2 1.0076 0.7548 1.1907 1.0399
Hippurate_R1 0.9431 1.2569 1.4482 1.0516
Hippurate_R2 0.9430 1.2618 1.4449 1.0503
Histamine_R1 1.0074 1.1715 0.7974 0.8790
Histamine_R2 0.9773 1.2557 0.7491 0.9555
Hydroxykynurenine_R1 1.0366 0.5519 0.9921 1.0502
Hydroxykynurenine_R2 1.0379 0.5404 0.9863 1.0509
Hypoxanthine/2-Deoxyinosine_R1 1.0551 0.5860 0.5900 1.0509
Hypoxanthine/2-Deoxyinosine_R2 1.0524 0.5954 0.5984 1.0598
Indole-3-Acetamide 1.1372 0.3812 0.8111 0.7343
Indole-3-Acetate 0.9743 1.3492 1.1191 0.8994
Indole-3-Acetate (B) 1.0539 0.9793 0.9744 0.7331
Inosine 0.9941 1.0851 0.8316 1.0469
Inosine Monophosphate NA 1.3116 0.4460 NA
Kynurenic acid_R1 1.0162 0.9164 0.8166 1.0128
Kynurenic acid_R2 1.0136 0.9374 0.8337 1.0108
Kynurenine_R1 1.0209 0.9636 1.0139 0.8757
Kynurenine_R2 1.0133 0.9815 1.0926 0.8860
Lactose 1.0021 0.9788 0.8428 1.0585
L-Arginine_R1 1.0992 0.2899 0.8731 0.8393
L-Arginine_R2 1.1528 0.3172 0.9271 0.8910
Lauroylcarnitine 1.0878 0.4145 NA 0.8988
L-Cysteine_R1 1.2308 0.2868 0.6828 0.3738
L-Cysteine_R2 1.2099 0.3736 0.8187 0.4012
L-Cystine_R1 1.0147 1.0338 0.8568 0.9303
L-Cystine_R2 0.9935 1.2554 0.9233 0.9418
L-Glutamic Acid / N-Methyl-D-aspartic acid 0.4379 7.8363 0.6319 0.4450
L-Histidine_R1 1.0389 0.5693 0.5713 1.1805
L-Histidine_R2 1.1236 0.6186 0.6225 1.2851
Lipoamide 1.2067 0.6555 NA NA
L-Isoleucine / Norleucine 1.0332 0.2096 1.4315 1.1367
L-Leucine 1.0772 0.3364 1.5905 0.6900
L-Lysine_R1 1.0928 0.6075 0.7265 0.7264
L-Lysine_R2 1.0898 0.6050 0.7342 0.7457
L-Methionine_R1 1.0434 NA 0.8572 0.7252
L-Methionine_R2 1.0168 0.0366 1.1899 0.9760
L-Phenylalanine_R1 1.1029 0.4474 0.8014 0.7352
L-Phenylalanine_R2 1.1004 0.4514 0.8137 0.7455
L-Proline_R1 0.9149 1.2744 1.9280 1.0540
L-Proline_R2 1.0898 0.6244 0.9358 1.0858
L-Serine_R1 1.0669 0.3800 0.8773 0.9993
L-Serine_R2 1.1488 0.4215 0.9756 1.0952
L-Threonine / Homoserine / Allothreonine_R1 0.9892 1.0952 1.1380 0.9590
L-Threonine / Homoserine / Allothreonine_R2 1.0791 1.1141 1.2661 1.0201
L-Tyrosine_R1 1.0325 0.6310 0.9846 1.0281
L-Tyrosine_R2 1.0249 0.6549 1.0765 1.0300
Lumichrome_R1 0.9197 0.5670 3.3815 0.9173
Lumichrome_R2 1.0678 0.5186 0.6216 0.9467
Malate 0.9962 1.1980 0.9547 0.4810
Methylpicolinate 1.0629 0.6856 0.6960 0.8908
Methylthioadenosine_R1 1.1425 0.1005 0.4439 0.8286
Methylthioadenosine_R2 1.0850 0.1267 0.4063 0.7873
Mevalolactone NA 0.9920 1.6453 0.7633
N-Acetylasparagine_R1 1.0278 0.8166 0.6521 1.0619
N-Acetylasparagine_R2 1.0313 0.8479 0.6293 1.0252
N-Acetylaspartate_R1 1.0464 0.8264 0.9237 0.8253
N-Acetylaspartate_R2 1.0467 0.8129 0.9364 0.8273
N-Acetylcysteine 0.9013 1.3148 2.7793 0.6854
N-Acetylglutamate_R1 1.0186 1.0094 1.2011 0.7903
N-Acetylglutamate_R2 1.0188 1.0078 1.1842 0.7962
N-Acetylmethionine_R1 1.0822 0.7632 0.2409 0.8777
N-Acetylmethionine_R2 1.0643 0.6686 0.5405 0.9701
N-Acetylneuraminate_R1 1.0060 0.8572 1.0951 1.0185
N-Acetylneuraminate_R2 1.0439 0.9040 1.1458 0.9946
N-Acetylphenylalanine 0.9438 1.4301 1.5028 0.9108
N-Acetylproline_R1 0.9760 1.3187 0.9805 0.9398
N-Acetylproline_R2 1.0613 0.8029 0.7350 0.8499
N-Acetylputrescine_R1 1.0186 0.7703 1.0004 1.0248
N-Acetylputrescine_R2 1.0180 0.7732 1.0036 1.0259
N-Acetylserine_R1 0.9942 1.0759 1.3177 0.8704
N-Acetylserine_R2 1.0133 0.8858 1.2052 0.7231
N-Acetyltryptophan_R1 1.0521 0.7054 0.3517 1.0816
N-Acetyltryptophan_R2 1.0484 0.4363 0.3146 0.8996
N-Alpha-Acetyllysine_R1 1.0105 0.9499 1.0123 0.9568
N-Alpha-Acetyllysine_R2 1.0129 0.9429 1.0034 0.9477
Nicotinamide 0.9896 NA 1.3217 0.9509
Nicotine-1-N-oxide 0.0770 0.4309 2.1143 NA
Nicotinic acid_R1 0.2980 3.6534 NA 0.0946
Nicotinic acid_R2 0.2571 2.0355 NA 0.0336
N-Methylglutamate_R1 1.0770 0.8542 0.4603 0.8597
N-Methylglutamate_R2 1.0876 0.8475 0.4367 0.8277
N-Methyltryptamine_R1 0.9229 1.7425 1.3164 0.8455
N-Methyltryptamine_R2 0.9265 1.6705 1.3332 0.8097
N,N,N-Trimethyllysine_R1 0.9508 1.3252 1.4203 0.9639
N,N,N-Trimethyllysine_R2 1.0183 1.4302 1.5419 1.0411
Norcotinine 0.1228 0.4174 3.2053 NA
O-Acetylcarnitine 1.0116 1.2618 0.0041 1.1195
Octopamine_R1 0.9938 0.9149 2.5580 0.5154
Octopamine_R2 1.0682 0.6373 1.0072 0.8120
Ophthalmate 1.0580 0.6950 NA 0.5667
Ornithine 1.1257 0.8060 0.4829 0.3729
Orotate 1.0403 0.7858 0.6740 0.9878
Pantothenate_R1 1.0449 0.6892 0.5109 1.0822
Pantothenate_R2 1.0427 0.6924 0.5253 1.0892
Paraxanthine 0.8593 1.5834 2.9337 0.7886
Paraxanthine / Theobromine /Theophylline 0.8513 1.6434 3.0423 0.8212
Phenol_R1 0.9388 1.2560 1.5124 1.0580
Phenol_R2 0.9375 1.2777 1.5170 1.0510
Phenylacetylglutamine_R1 0.9818 1.1411 1.0074 1.0281
Phenylacetylglutamine_R2 0.9866 1.1010 0.9854 1.0305
Phenylethanolamine 0.9812 1.0102 1.1358 1.0714
Phenylglycine 0.7190 0.9544 1.2231 0.2837
Pipecolate 0.9384 1.5280 0.6749 1.1934
Pro-Gly_R1 1.1397 0.0832 0.1586 0.9666
Pro-Gly_R2 1.0788 0.1320 0.3422 0.9945
Pterin_R1 1.0194 0.6793 0.8358 1.1419
Pterin_R2 1.0394 0.6407 0.7279 1.0706
Pyroglutamate_R1 0.9715 1.2181 1.1493 0.9945
Pyroglutamate_R2 0.9991 1.2886 1.2053 1.0275
Raffinose_R1 1.1074 0.4880 0.4968 0.7718
Raffinose_R2 1.0917 0.4407 0.8701 0.8415
Riboflavin_R1 1.0919 0.3726 0.2614 1.0635
Riboflavin_R2 1.0928 0.3887 0.2702 1.0432
S-Adenosylhomocysteine_R1 0.9747 NA 1.7837 0.8539
S-Adenosylhomocysteine_R2 0.9545 NA 1.9094 0.9273
Sarcosine 0.9863 1.3085 0.2405 1.1734
S-Carboxymethylcysteine 0.8862 1.3877 2.6492 0.9058
Sepiapterin_R1 0.7763 3.5330 0.9113 0.7705
Sepiapterin_R2 0.7954 5.9521 1.0911 0.7783
Succinate_R1 1.0310 0.7602 0.7165 1.0533
Succinate_R2 1.0281 0.7398 0.8008 1.0549
Sucrose 1.0071 0.7749 0.8299 1.1651
Sucrose / Trehalose 1.0666 0.7845 0.8534 1.3143
Taurine_R1 0.9740 1.2066 1.0606 1.0183
Taurine_R2 1.0001 1.0123 0.9337 1.0160
Thiopurine S-Methylether 1.0307 0.8963 0.9120 0.9276
Thymine_R1 1.0219 1.0636 0.5875 0.9666
Thymine_R2 1.0482 0.9653 0.4936 0.9316
trans-3-hydroxycotinine 0.0049 0.7548 1.9888 NA
Trehalose 1.0034 0.7688 0.8359 1.1920
Trigonelline_R1 0.7607 2.1607 4.1929 0.6739
Trigonelline_R2 0.7589 2.1589 4.1852 0.6903
Trimethylamine_R1 0.9987 0.9523 1.2905 0.9310
Trimethylamine_R2 0.9815 1.1824 1.2634 0.8876
Tryptamine 0.8644 1.5054 0.0386 1.2100
Tryptophan 1.0960 0.7916 0.7175 0.5850
Uracil_R1 1.0474 0.6843 0.6054 1.0325
Uracil_R2 1.0443 0.7023 0.6048 1.0439
Ureidopropionate_R1 0.9994 1.0257 1.0058 0.9847
Ureidopropionate_R2 0.9957 1.0204 0.9834 1.0219
Uric acid_R1 0.9919 1.1728 1.4047 0.7888
Uric acid_R2 1.0036 1.1865 1.4231 0.7756
Uridine Monophosphate 1.0099 0.7034 1.3484 0.9991
Xanthine_R1 1.0447 0.6686 0.7151 1.0208
Xanthine_R2 1.0446 0.6657 0.7226 1.0205
Xanthosine_R1 0.9943 1.0537 0.9054 1.0392
Xanthosine_R2 0.9919 1.0683 0.9437 1.0312
Xanthurenate 1.0065 1.0582 0.9365 0.9404
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Factors:

F1Analysis type:CHEAR 2016-1407 Study Sample
F2Analysis type:CHEAR Pooled Urine
F3Analysis type:NIST Smoker''s Urine
F4Analysis type:Study Pooled QC
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