Data for (Study ST002471)

(Analysis AN004033)

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 study

MetaboliteF1F2F3F4F5F6F7F8F9F10
13-cis-Retinoic acid 1.6852 0.4697 0.7123 0.3187 7.7883 1.3363 0.3895 1.2866 0.7427 0.7397
1-Methyladenosine 1.2964 0.4994 0.8494 1.0383 1.1162 1.6752 0.7682 0.1338 1.3056 2.1461
1-Methylguanine 0.4935 2.5663 0.4687 2.0075 0.3053 0.5828 0.6006 0.2949 0.8094 0.0118
1-Methylguanosine 0.6346 2.3559 0.5393 0.4820 1.0822 0.3439 0.5824 0.6636 0.5341 0.3912
1-Methylhistamine 0.4835 1.4206 0.5238 0.4597 1.2892 1.1718 1.3745 1.9714 0.6337 0.2608
1-Methyl nicotinamide 0.1534 1.8864 0.4775 0.6997 4.1557 0.5528 0.5577 0.4628 1.0592 0.1736
2-Aminobenzoic acid 0.7864 1.1811 1.3904 0.4897 NA 1.2347 0.9270 0.0290 NA 0.0309
3-Dehydroxycarnitine 0.7788 0.5322 0.9502 0.8704 2.4072 1.6509 1.4774 1.1582 0.6084 0.2919
3-Guanidinopropanoic acid 0.8632 0.7669 1.2420 0.7848 0.5461 0.8403 1.7497 0.3160 0.8954 0.5156
3-hydroxynorvaline 0.6105 0.6896 1.0086 1.3206 2.2090 1.5464 1.2932 0.6456 0.6205 0.2761
3-Methoxytyramine 0.2166 0.6627 0.6580 0.9016 4.8068 0.8149 3.1430 0.0164 0.1668 0.0362
3-Methylhistidine 0.7958 0.6485 1.2876 0.7708 1.1120 0.7135 1.8360 2.1802 1.1192 0.1337
3-Methylxanthine 0.9065 0.4668 1.4936 1.0551 1.9855 1.5206 0.7714 0.7283 0.9863 0.3199
3-(N-Acetyl-L-cystein-S-yl) acetaminophen 0.0956 3.3109 0.2982 0.0479 0.0088 0.2582 1.3564 0.0826 0.0638 1.4642
4-Acetamidobutanoic acid 0.7996 0.6668 1.3836 0.6519 4.0545 1.0998 0.8650 0.5746 1.3016 0.5571
4-Guanidinobutanoic acid 0.6772 0.7758 1.4082 0.5270 2.4194 0.8356 1.2169 0.4342 2.7088 0.2949
4-Pyridoxic acid 0.7887 0.3177 1.3452 1.8942 0.9165 1.6546 1.1065 0.6052 1.5103 0.3604
5-(2-Hydroxyethyl)-4-methylthiazole 1.1188 0.5522 1.1251 1.0052 1.3015 2.0052 0.4424 0.0252 0.4756 1.7518
5-Acetylamino-6-amino-3-methyluracil 0.9544 0.9319 1.2117 0.9418 1.1586 0.9904 0.6430 0.0910 3.0822 0.6706
5-Amino-levulinic acid 0.2422 1.6492 0.5671 1.4994 0.6765 1.1632 1.0452 0.8344 0.3134 0.4386
5-Hydroxyindoleacetic acid 1.1481 0.2646 1.4888 1.6892 3.1192 0.9524 1.0214 1.2150 0.6979 0.6803
5-Hydroxymethyl-4-methyluracil 1.4462 0.9703 1.0295 0.2619 3.0226 0.7376 0.6334 2.2982 0.2494 0.6964
5-hydroxytryptophan 0.8084 1.9599 0.4101 0.7557 0.0911 0.6486 1.0033 0.8020 0.0654 0.9114
5-Methylcytosine 0.4373 0.5635 0.8490 0.5025 2.2610 2.1735 1.4072 1.7676 0.0665 0.1257
7-Methyladenine 1.1593 0.6170 1.1294 1.3174 0.6713 1.4144 0.5445 0.0179 2.2010 0.1417
7-Methylguanine 0.8516 0.8249 1.1729 1.2918 2.0073 1.1842 0.9911 0.7258 0.6546 0.2241
7-Methylxanthine 1.0705 0.6316 1.1075 2.0058 0.3200 1.4759 0.7882 0.5972 0.2370 0.0394
Acetaminophen 0.1332 2.0327 1.3120 0.0665 0.0539 0.2543 1.0578 0.0614 0.3109 0.3430
Acetylcholine 1.5605 0.4169 1.4572 0.9271 0.3939 1.1055 0.8394 0.2495 2.7175 0.1572
Acisoga 0.7622 0.9847 0.4560 0.7226 15.1755 0.3711 0.8092 0.7646 0.3105 0.2542
Adenosine 6.0045 0.2131 0.2649 0.2049 0.6637 0.3155 0.1808 0.1811 0.0461 0.0274
Agmatine 0.3509 0.7954 3.4866 0.0237 0.1264 0.0543 0.2636 0.3136 0.0231 0.0280
Ala-Ala 1.2027 1.3445 0.9392 0.8503 1.1015 0.5029 1.0183 0.8173 0.5885 0.3680
Ala-Arg 2.8214 1.3482 0.4018 0.8037 0.3979 0.2906 0.4220 1.7423 0.1650 0.3683
Ala-Gln 1.0527 1.9803 0.3423 0.7173 0.3684 0.1351 0.2428 0.4629 NA 0.0353
Ala-Glu 1.3655 1.7986 0.8032 0.8873 0.4890 0.3328 0.5269 0.7552 0.0484 0.5992
Ala-His 2.2777 2.1003 0.0900 0.2433 0.0206 0.0656 0.2557 0.2825 0.0005 0.1420
Ala-Ile 1.4003 1.8324 0.6670 0.6576 1.0650 0.2511 0.6642 0.7881 0.1885 0.3385
Ala-Lys 1.2868 2.0677 0.5843 0.9744 0.7062 0.1792 0.5817 0.9526 0.0574 0.1238
Ala-Met 2.9413 1.1529 0.7992 0.7347 0.5286 0.5354 0.3143 0.7961 0.2761 0.1197
Alanine 0.8081 1.5942 0.7516 0.5704 0.7353 0.6771 1.0426 0.4240 0.7768 1.2063
Ala-Phe 0.8082 0.5937 1.0425 1.6783 2.7675 1.2423 1.1835 0.7820 1.5944 0.0312
Ala-Thr/Thr-Ala 1.5128 2.0737 0.4801 0.7206 1.1602 0.1651 0.5292 0.6478 0.0567 0.2218
alpha-N-Phenylacetylglutamine 0.0887 0.9124 0.2565 0.8650 10.9812 1.1603 1.2949 3.6982 0.0125 0.0452
alpha-Tocopherol 1.2253 0.8051 1.1742 0.7605 0.5416 1.0682 0.8559 0.6433 1.0041 1.9267
Aminoisobutyric acid 0.8581 1.3484 0.4349 0.6863 0.3733 0.5005 1.9646 0.9756 0.1499 0.9720
Anserine 0.2604 0.3841 1.8334 0.3518 1.0353 0.3417 3.0452 0.7787 0.1934 0.0536
Arginine 0.9425 2.1146 0.4933 0.5127 1.3807 0.3425 0.6608 0.4743 0.4593 0.6588
Arg-Leu 4.5548 1.2503 0.2128 0.7669 0.3484 0.0597 0.2892 0.5974 0.0134 0.0983
Arg-Met 1.4371 2.1988 0.0093 0.0660 0.0021 0.0164 0.3450 0.1750 NA NA
Arg-Phe 1.0231 1.8130 0.0012 0.0074 1.7162 0.0276 0.7065 0.0051 NA NA
Arg-Pro 0.9005 1.7940 0.7971 0.5142 1.1123 0.4539 0.9716 0.6897 0.2056 0.2360
Asn-Ala 0.6964 1.7814 0.7248 0.3877 1.5683 0.2317 1.3848 1.0830 0.0618 0.5030
Asn-Arg 2.0431 1.5679 0.2993 0.7621 0.5965 0.1876 0.5181 0.1611 0.0067 0.0175
Asn-Phe 1.6467 1.7880 0.6263 0.5516 0.7654 0.1736 0.4768 NA NA NA
Asn-Val 0.9803 2.2084 0.5299 0.3314 1.2137 0.3017 0.7177 0.4457 0.0991 0.7312
Asparagine 0.3968 2.5218 0.3635 0.1691 0.5134 0.4632 0.8390 0.7888 0.4041 0.4455
Aspartic acid 0.7094 1.7178 0.6879 0.4869 0.8791 0.5711 0.9414 1.0768 1.3096 1.3835
Asp-Val 0.7072 1.8401 0.6917 0.3531 0.9083 0.4231 0.7273 0.3724 3.1942 0.8074
Atenolol 0.8884 0.2269 0.7664 1.0257 0.2796 0.9847 3.6156 0.6384 0.3598 0.0866
beta-Alanine 0.8562 1.3788 0.7659 0.5402 1.2010 0.8564 1.2853 0.6880 0.3433 0.5474
Betaine 0.8549 1.6597 0.7110 0.6054 1.0139 0.6694 0.8069 0.7921 0.3627 1.5515
Bilirubin 0.9577 0.2876 0.8502 0.8024 0.1362 1.2194 2.0755 2.1679 0.7241 NA
Biliverdin 0.8016 1.5885 0.6478 0.3557 0.5216 0.8827 1.2951 0.7157 0.3034 0.8322
Biotin 0.6906 0.9250 1.9466 0.6870 1.0491 0.5669 1.0071 0.1022 0.3820 0.3220
C16 Sphinganine 1.2697 0.8296 0.9513 0.6499 1.6382 1.3353 0.7022 0.3809 1.2530 1.4988
C16 Sphingosine 1.0800 1.1558 0.5574 0.5522 1.9583 1.6525 0.5515 0.2435 0.9105 1.3162
C17 Sphinganine 0.8954 1.4171 0.8189 0.8617 1.2316 0.8407 0.8519 0.7425 0.5345 0.9499
C20 Sphinganine 0.9689 1.1230 0.9558 0.7442 0.8361 1.2133 0.8329 0.6541 0.8407 0.7756
C20 Sphingosine 1.1808 0.7321 1.2554 0.8539 0.4198 1.0880 0.9242 0.3778 2.4184 0.5745
C22 Sphingosine 1.3505 0.9444 1.2092 0.0250 0.0184 0.4915 0.1589 3.7751 2.6383 4.3572
Cadaverine 1.0481 1.5117 0.8073 0.8515 1.4282 0.8135 0.9229 0.1180 0.0110 0.0309
Caffeine 1.9454 0.7652 0.8473 1.0153 1.0214 0.7843 1.2241 0.4280 0.3451 0.5018
CAR 10:1 0.2388 1.7203 0.3245 0.0180 0.8282 0.9165 1.4459 0.5145 NA 0.1526
CAR 10:2 1.4576 0.8378 0.2478 0.2168 0.6381 1.9887 1.1339 1.1056 0.6198 0.5406
CAR 12:0 0.4645 0.9521 0.0584 0.0382 0.0844 1.3657 2.0278 2.6474 NA NA
CAR 12:1 0.4351 0.4670 0.1140 0.0304 0.0401 2.4804 2.0918 2.0172 NA 0.3699
CAR 13:0 0.5284 0.9650 0.1202 0.0398 0.0193 1.5212 1.7091 4.3449 0.0024 0.2195
CAR 14:0 0.6024 1.6654 0.4070 0.5233 0.6766 1.0407 1.5597 1.0742 0.0441 0.0396
CAR 14:1 0.4653 0.8310 0.2564 0.1896 0.2794 1.0874 3.5637 1.8661 0.1070 0.0546
CAR 14:2 1.0164 1.1728 0.3774 0.2691 0.5097 1.1432 2.0103 1.2689 0.1932 0.0700
CAR 16:0 0.8426 1.6601 0.5426 0.9117 0.9857 0.9592 0.9274 0.8886 0.0583 0.3994
CAR 18:0 1.3187 1.2542 0.7433 0.6405 0.8666 0.9334 0.9529 0.6297 0.7213 0.8607
CAR 18:1 0.9729 1.6291 0.6785 0.5351 0.8039 0.7760 1.0757 0.8034 0.1731 0.2762
CAR 18:2 0.8863 1.8239 0.5764 0.7025 0.3537 0.6897 1.0926 0.8018 0.1011 0.0262
CAR 2:0 0.2907 1.8502 0.1064 0.0498 0.1726 0.0699 3.1352 2.5649 0.0040 0.0214
CAR 20:0 1.3272 1.0049 0.6358 0.4703 1.4723 0.9699 1.1565 0.3232 2.5341 0.9815
CAR 20:4 1.0643 0.4191 1.3760 1.0338 2.6626 1.1337 1.1741 0.1493 0.9353 0.1260
CAR 3:0 0.1310 2.9432 0.0749 0.0825 0.1765 0.1110 1.9706 2.3451 0.0041 NA
CAR 4:0 0.0847 1.1048 0.2323 0.0229 0.4513 0.2690 4.1131 2.5111 0.0008 0.0015
CAR 4:0;OH 0.2660 0.6507 0.8814 0.0348 0.2069 4.4840 1.2632 1.0102 NA 0.0287
CAR 5:0 0.0943 1.2165 0.6025 0.0089 0.7020 0.7110 2.6143 0.8051 NA 0.1108
CAR 5:1 0.0436 1.5219 0.4236 0.0038 1.4994 0.9521 1.4863 NA NA NA
CAR 8:0 0.1641 1.6750 0.1271 0.0129 2.6564 0.1456 2.3087 0.1177 0.0046 0.0098
CAR 9:0 0.7407 0.8889 0.2705 0.0569 2.5012 2.6624 1.8176 0.5654 0.0109 0.0652
CAR DC3:0;2Me 0.1141 0.2882 0.2348 0.0267 2.1302 2.9170 2.1850 0.9865 0.5721 0.1639
CAR DC5:0 0.3918 1.4100 0.5765 0.2499 7.0287 1.3320 0.6488 0.4838 0.3731 0.1738
CAR DC6:0 0.5119 1.8242 0.3874 0.1210 0.1259 0.1824 0.1420 12.1039 0.7923 5.6143
Carnitine 0.3828 2.1069 0.2606 0.1825 0.9546 0.3717 1.4378 2.5555 0.1844 1.0055
Carnosine 1.6679 2.2829 0.1329 0.1332 0.0759 0.1159 0.5910 0.1884 0.0088 1.0478
Cer 18:1;O2/14:0 1.5274 1.1031 0.7390 0.7895 0.9580 1.3582 0.6476 0.1796 0.4778 0.5513
Cer 18:1;O2/14:1 1.0246 0.6114 1.2979 1.9722 0.0126 0.3199 1.4692 NA 2.4083 0.7719
Cer 18:1;O2/15:0 1.7258 0.9312 0.7452 0.6393 0.5944 1.3871 0.7742 0.1584 1.0451 0.2857
Cer 18:1;O2/16:0 1.3546 1.1545 0.7350 0.8384 1.0479 1.1216 0.8473 0.5082 0.4478 0.7876
Cer 18:1;O2/16:1 1.8551 1.0128 0.7381 1.1979 0.9057 0.9204 0.8724 0.2964 0.4966 0.6653
Cer 18:1;O2/16:2 1.3008 0.6907 1.1851 1.3324 1.3743 0.8324 1.3340 0.1832 0.4734 0.0423
Cer 18:1;O2/17:0 1.3486 0.9697 0.8718 0.5833 0.7261 1.4221 0.8905 0.1030 0.8241 0.3488
Cer 18:1;O2/17:1 1.7748 1.3915 0.5478 0.3953 0.1501 0.8895 0.5579 NA 1.5953 NA
Cer 18:1;O2/18:0 1.1712 0.8446 1.2049 0.8254 0.6089 1.0301 1.1296 0.2173 1.0738 0.5269
Cer 18:1;O2/18:1 1.6051 1.2275 0.7922 0.5524 0.7742 0.9323 0.7694 0.2139 0.7756 0.9141
Cer 18:1;O2/18:2 1.3172 1.4647 0.7044 0.4893 1.1972 0.7475 0.8010 0.2442 0.6169 1.6293
Cer 18:1;O2/19:0 0.6870 0.9788 1.0062 0.2952 0.6920 1.6345 0.8314 NA 1.3720 0.0744
Cer 18:1;O2/2:0 0.5025 0.9158 0.8567 0.2373 0.4852 1.8546 1.7064 0.5688 0.5703 0.8264
Cer 18:1;O2/20:0 0.8011 1.0502 1.2266 0.9613 0.4656 1.1558 0.9090 0.0814 1.0440 0.3741
Cer 18:1;O2/20:1 1.8586 1.0887 0.9262 0.4092 0.3970 0.8516 0.6351 NA 1.6628 0.4824
Cer 18:1;O2/20:2 2.5702 0.7893 1.2618 1.2971 1.3573 0.5254 0.4871 0.0531 0.4314 0.1600
Cer 18:1;O2/22:0 0.8111 1.1759 0.9895 1.1264 1.0695 1.1581 0.9087 0.1850 0.4932 0.6004
Cer 18:1;O2/22:2 2.0784 0.8208 0.9058 0.7355 0.1712 1.3643 0.4425 0.0344 0.8407 0.1050
Cer 18:1;O2/24:0 1.4109 1.4748 0.5820 0.8447 1.4738 0.7382 0.9452 0.2178 0.2823 0.5125
Cer 18:1;O2/24:1 1.3477 1.3451 0.6115 0.9041 0.9086 1.0815 0.7264 0.6355 0.3959 0.6271
Cer 18:1;O2/4:0 1.3584 1.2272 0.5847 0.6424 2.5409 0.7928 1.1928 0.6579 0.3733 0.6221
Cerulenin 1.3851 1.3341 0.7427 1.0714 0.4962 0.6473 0.6673 0.1279 0.1643 3.7114
Cholestenone 0.6803 0.5179 1.9503 1.6804 0.0668 0.8351 0.9943 0.0245 2.1181 0.5246
Choline 1.1210 1.8274 0.5178 0.5611 0.8261 0.3157 1.0040 1.0057 0.1767 1.3227
Choline phosphate 2.9186 0.8292 0.4191 0.7327 0.7802 0.3097 1.1218 1.2227 NA 0.6337
Cinnamoylglycine 1.2713 0.9708 0.9958 0.4073 4.9700 0.9677 0.6292 0.1847 0.5261 0.8610
Citrulline 0.7888 1.5569 0.7747 0.5449 0.3350 0.7303 1.1242 0.5142 0.8286 1.3277
Creatine 1.0676 1.6582 0.5600 0.4356 0.6661 0.7339 1.0026 1.6867 0.0056 0.2749
Creatinine 0.3580 1.5226 0.3784 0.9728 4.6675 1.0532 0.9097 2.6279 0.0047 0.0540
Cryptoxanthin 1.1840 0.3588 1.5258 0.9240 0.7312 1.2772 1.2488 0.6976 1.1523 0.0974
Cytidine 0.4918 0.2179 1.6546 3.8166 3.9960 1.5248 0.5029 0.0499 0.2337 0.0633
Cytosine 0.8353 0.3995 1.1264 0.7846 2.8083 2.2250 0.8682 0.1715 0.5445 0.1132
Daidzein 0.7204 2.3604 1.2936 0.1833 0.0512 0.1772 0.2342 0.7847 0.1432 0.0891
D-alpha-tocopherylquinone 1.0991 0.7397 1.0213 0.4700 0.9368 1.8304 0.6710 0.7073 0.8438 0.7058
Deoxyadenosine 3.3735 0.7540 0.9742 0.6355 0.1643 0.5304 0.3574 0.1729 0.0546 0.1015
Deoxycytidine 0.5186 0.5979 1.2739 1.6919 1.5672 1.0794 1.6101 0.2176 0.5368 0.3809
DG 34:1 0.5710 0.2325 1.4192 2.1531 6.0743 1.3055 0.5328 2.8724 0.5708 0.2355
DG 34:2 0.4724 0.2185 1.2505 2.4355 8.7387 1.1996 0.3749 2.2747 0.6022 0.1422
DG 36:2 0.1824 0.2319 0.4888 2.9650 6.0444 3.0708 0.1693 2.1497 0.0522 0.2359
DG 36:3 0.3641 0.2122 0.8899 5.4825 6.9407 1.4331 0.2132 2.2585 0.1081 0.1773
DG 36:4 0.8320 0.2420 1.4750 3.7704 4.0732 1.2591 0.3401 1.1912 0.2630 0.1141
DG 38:5 1.3389 1.7457 0.4172 2.1330 0.2609 0.3546 0.8740 0.2081 0.0248 0.3093
Didanosine 1.2660 0.3027 1.3196 2.1624 0.0905 1.0964 0.9880 0.0398 1.0458 0.2683
Diethanolamine 1.1436 1.3075 0.9297 0.5693 0.6829 0.7977 0.7465 1.1109 0.7786 1.1795
Dihydrocholesterol 0.9102 0.6656 1.4787 2.0598 0.1028 0.8320 0.8347 NA 3.0131 0.1961
Dimethylarginine 0.4613 2.2855 0.4689 0.2611 0.9838 0.3087 0.7947 0.8867 0.0309 0.4235
Dimethylglycine 0.9928 1.4011 0.6347 0.8062 2.7362 0.7124 1.0359 0.6195 0.6165 0.7488
D-N-Acetylgalactosamine 1.2641 1.1692 0.7228 1.1521 0.3576 0.7418 1.0365 1.3058 0.8378 1.6816
DOPA 1.1997 0.3409 1.4922 1.8010 0.0461 0.9563 0.5389 NA 0.5494 0.3716
D-Urobilinogen 3.0257 0.3704 0.8713 0.7842 0.2770 0.9556 0.4041 2.4649 1.4321 0.0029
Ectoine 0.6267 1.0484 0.9209 1.6010 2.4267 0.6819 1.2180 3.1742 0.4314 0.1643
(E,E)-Trichostachine_a 1.6196 0.4838 1.5725 0.5111 0.4254 1.0948 0.4881 3.4482 0.0920 0.2309
(E,E)-Trichostachine_b 1.0434 0.8095 1.8330 0.3964 0.1676 1.1077 0.3363 2.3549 0.0488 0.1206
gamma-Aminobutyric acid 0.5296 0.5456 0.8557 0.6960 1.2552 1.3899 2.7002 0.5094 0.0525 0.2851
Genistein 0.3829 1.7461 0.9340 0.8208 0.3733 0.7369 1.2772 0.7455 0.6290 0.0851
Gln-Ile 2.5039 1.1369 0.5065 0.9285 2.1850 0.2675 0.8381 0.7727 0.1263 0.7056
Glu-Gln 0.6930 1.3146 1.1334 0.3896 1.3946 0.5812 1.3143 1.3388 0.3656 0.3481
Glu-Ile 0.8878 1.7332 0.8301 0.6534 1.1003 0.4475 0.8396 0.5408 0.2900 0.9170
Glutamic acid 0.7394 1.4045 0.8655 0.6057 0.5087 0.7864 1.2233 0.5028 0.8512 1.1134
Glutamine 0.5734 2.1447 0.6473 0.2741 0.6102 0.4890 0.8541 0.4638 0.3269 0.4283
Gly-Arg 1.6960 1.5019 0.7726 0.8146 0.3011 0.4553 0.5066 1.8643 0.2335 0.1954
glycidyl linoleate 0.6768 0.3711 1.1380 4.1047 3.5939 1.2038 0.6834 1.7964 0.4107 0.2337
Glycine 0.6964 1.6403 0.7961 0.4641 0.5906 0.8325 0.8803 0.5736 0.9757 1.0568
Glycitein 1.5426 0.1980 0.8682 1.1346 0.0568 1.8699 0.6046 0.9278 2.0172 0.2995
Glycocholic acid 0.0281 2.0876 2.2904 0.0036 0.0065 0.0368 0.0085 0.0253 0.0215 0.0053
Glycodeoxycholic acid 0.2314 2.3068 1.1481 0.0381 0.0293 0.1590 0.0137 0.0038 0.2586 0.0791
Gly-Pro 0.5838 1.6731 0.9015 0.4378 0.8164 0.6360 1.0741 0.5324 1.0381 0.5210
Gly-Ser 1.6099 1.8102 0.6321 0.6690 1.7928 0.1319 0.3480 0.8014 0.0087 0.4889
Gly-Val 0.7934 1.8072 0.7358 0.3854 1.2271 0.5979 0.8649 0.4737 0.4857 0.5311
Guanidoacetic acid 1.2217 1.8767 0.3610 0.1840 3.4846 0.3579 0.4524 1.0963 0.1384 0.2108
guanine 0.5874 2.3972 0.4890 0.4969 1.1942 0.4209 0.5421 0.2936 0.0868 0.3117
Guanosine 1.2002 0.9700 0.6792 0.2423 6.8552 1.0741 0.7889 0.7383 0.1906 0.4570
hemin 0.9271 2.0218 0.0718 0.2302 0.0857 0.4926 1.0986 0.4397 0.0088 5.0555
His-Ile 1.8123 1.7290 0.6691 0.2731 0.5642 0.0706 0.4194 0.1860 NA 0.2851
His-Phe 0.9148 2.4265 0.0920 0.3673 0.1516 0.2300 0.5798 0.2405 0.0060 0.7227
His-Pro 0.8764 2.2206 0.5219 0.4297 0.4299 0.4045 0.8309 0.3660 0.2245 0.2277
Histamine 0.4778 1.2658 0.3994 0.4246 0.3579 2.3105 0.9819 0.5814 0.1386 0.4820
Histidine 0.4772 2.4356 0.3578 0.2567 0.1296 0.2388 1.2671 0.3748 0.2722 0.2588
His-Val 1.8519 2.0581 0.3185 0.3972 0.2818 0.2336 0.7010 0.2751 0.1177 0.3945
Homocitrulline 1.1301 0.5298 1.5283 0.6012 3.5328 0.9021 0.6180 0.5280 1.7119 0.1786
Hydroxyproline 0.2595 1.3642 0.6366 1.7173 0.7364 1.3265 1.2086 0.9064 0.3446 0.4886
Hypoxanthine 0.9587 1.3405 0.8565 0.9704 0.7110 0.9514 0.7898 0.5600 0.7748 0.9641
Ile-Asn 1.3892 1.6942 0.6222 0.8345 1.3539 0.4088 0.7770 0.7104 0.1935 0.5201
Ile-Gln 2.1528 2.0304 0.4584 0.4496 1.1958 0.0879 0.2346 0.3961 0.0260 0.1325
Ile-Lys 1.7498 1.8014 0.5977 0.9734 0.5628 0.3188 0.4805 0.9895 0.1026 0.4620
Ile-Met 1.8759 1.8891 0.4362 0.6673 2.1962 0.2582 0.3304 1.1382 0.0735 0.5221
Ile-Pro 0.8187 1.7658 0.7263 0.5751 1.0306 0.5764 1.0366 0.3668 0.6295 0.3307
Ile-Ser 1.0760 1.9628 0.5774 0.4593 1.9714 0.3522 0.6433 0.5750 0.1987 0.6265
Ile-Ser/Ser-Leu/Leu-Ser/Thr-Val 1.2421 2.4195 0.3294 0.4902 1.0255 0.2078 0.5170 0.5107 0.0359 0.3634
Ile-Thr 1.2087 1.6031 0.7925 0.8691 2.0882 0.3695 0.7447 0.7963 0.2301 0.6443
Ile-Trp 1.3875 2.1238 0.4869 0.6711 1.7080 0.1640 0.4421 0.4770 0.0577 0.1428
Ile-Val 1.3506 1.8971 0.5612 0.6648 1.6050 0.2765 0.6330 0.7124 0.1552 0.3620
Imidazoleacetic acid 0.7991 1.0438 0.8666 0.9780 1.1161 1.1623 1.4619 0.3486 0.6310 0.1749
Imidazolepropionic acid 0.9816 0.7107 0.9278 1.1376 1.3038 1.3490 1.4039 1.2902 0.4784 0.2198
Indolin-2-one 0.9847 0.8095 0.7938 0.9129 0.2046 2.4373 0.9964 0.0613 0.1667 0.1576
Inosine 0.8513 1.3041 0.9327 0.4801 2.7394 0.8215 0.8201 1.6596 0.2184 0.5095
Isoleucine 0.7155 1.5752 0.8882 0.4772 0.8772 0.8018 0.8420 0.3845 1.1839 0.6666
isoquinoline-1,5-diol 0.5606 0.6005 1.1051 1.4360 1.0090 1.8425 1.0914 0.8635 0.8683 0.2524
Kestose/Maltotriose 0.1802 3.4637 0.4834 0.5404 0.1446 0.4180 0.2901 0.3645 0.2547 0.1211
Kynurenic acid 0.9133 0.6807 1.4094 1.5176 0.8692 1.0109 0.9317 0.6951 1.6604 0.5468
Lenticin 1.0796 1.5886 0.5866 1.0069 2.6053 0.5309 0.7434 0.4434 0.8091 1.1855
Leucine 0.6308 2.0470 0.6046 0.3831 0.7847 0.5591 0.8038 0.4217 0.6486 0.7539
Leu-Leu 1.7054 1.7095 0.5710 0.7994 1.7469 0.2635 0.6343 0.7824 0.1552 0.3530
Leu-Phe 1.8932 1.8503 0.3816 0.6818 2.3234 0.1877 0.4203 0.7756 0.0780 0.5242
Leu-Tyr 1.7909 1.4189 0.6637 0.8476 2.0772 0.5353 0.4878 1.1603 0.3251 0.2760
L-Histidinol 2.2329 0.4368 0.7262 2.1096 1.8395 0.8011 0.9564 2.9865 0.1202 0.0102
Linoleoyl-EA 0.3857 0.9680 0.9856 0.4413 0.8022 1.5275 1.3398 1.7359 0.1472 1.0542
Loperamide 0.0194 2.9185 0.2019 NA NA 0.1381 0.0313 0.0129 0.4051 0.0377
LPC 14:0 0.9115 2.1141 0.0323 0.3205 0.1550 0.2201 0.2440 1.4816 NA 0.2659
LPC 15:0 1.4772 2.2150 0.0826 0.4918 NA 0.2270 0.5423 0.7297 0.0389 0.3722
LPC 16:0 1.3065 2.4726 0.1106 0.6163 0.3247 0.2180 0.6205 0.7150 0.0284 0.4915
LPC 16:1 1.0028 1.5145 0.1440 0.5307 0.2082 0.5067 0.4626 1.7157 0.0118 0.1388
LPC 18:1 1.4264 1.8876 0.1833 1.4789 0.3257 0.5159 0.6374 1.8452 0.0306 0.1910
LPC 18:2 0.6431 1.9777 0.2728 1.9210 0.3177 0.8470 0.3683 3.2487 0.1175 0.1049
LPC 18:3 1.3744 2.5125 0.1091 0.7949 0.1385 0.0878 0.4405 0.3419 0.0098 0.3351
LPC 20:1 0.7776 2.2583 0.0945 0.6449 0.1732 0.1124 0.5803 0.7192 NA 0.3010
LPC 20:2 0.9562 1.9935 0.0579 0.7045 0.0057 0.0655 0.5343 0.9157 NA 0.1283
LPC 20:3 0.7524 2.0095 0.1855 0.5762 0.1197 0.2750 0.2638 2.4024 NA 4.5210
LPC 20:4 3.5449 1.3290 0.0355 0.6109 NA 0.0707 0.2797 0.0450 NA 0.0035
LPC O-16:0 0.8954 2.5664 0.0910 0.4282 0.2056 0.1467 0.5823 0.5720 NA 0.3316
LPC O-18:0 1.0321 2.3416 0.1171 0.7398 0.4276 0.1850 0.5967 0.4501 NA 0.6380
LPC P-16:0 or LPC O-16:1 0.8985 2.3472 0.1072 0.5652 0.2497 0.2362 0.8019 0.7304 NA 0.2348
LPC(P-18:0)/LPC(O-18:1)_B 0.7369 2.0969 0.1244 0.6050 0.6395 0.2371 0.7902 0.7364 NA 0.5898
LPC P-18:0 or LPC O-18:1 1.1233 2.1039 0.1052 0.7766 0.0538 0.0958 0.6967 0.5869 NA 0.2775
LPE 14:0 1.2104 1.0468 0.7839 0.6579 1.3578 0.8004 1.4102 1.4840 0.1345 0.5251
LPE 15:0 1.2302 0.8800 0.8477 1.2788 1.1909 0.7178 1.5591 2.0142 0.1393 0.8379
LPE 16:0 0.9503 1.3022 0.7514 1.0952 1.3493 0.8222 1.0373 1.8681 0.1266 0.4328
LPE 16:1 1.1641 1.8514 0.2208 0.4512 3.2473 0.1406 0.7374 2.4361 NA 0.0831
LPE 17:0 1.0957 1.5049 0.7060 0.9629 0.6876 0.6921 0.7803 1.9998 0.0487 0.3515
LPE 18:0 1.0487 2.4719 0.1250 0.5964 0.3024 0.1381 0.8022 0.8989 0.0080 0.5415
LPE 18:1 1.1529 1.6564 0.3340 1.6782 0.5436 0.5537 0.9122 2.3992 0.0254 0.2916
LPE 18:2 0.4959 2.1297 0.2287 2.6414 0.2565 0.6084 0.3398 3.2740 0.0432 0.1198
LPE 18:3 1.1284 1.4843 0.6418 0.6859 1.7884 0.6872 1.0389 1.1858 0.0254 0.3929
LPE 20:0 1.8636 1.8090 0.0393 1.0292 0.4654 0.2366 0.5989 0.4013 0.0116 0.2678
LPE 20:1 0.8052 2.1498 0.0980 0.3554 0.3082 0.0791 0.7527 0.7310 NA 0.3405
LPE 20:3 1.0229 2.1673 0.1215 0.6943 0.2406 0.1364 0.7120 0.4773 0.0002 0.4317
LPE P-18:0 or LPE O-18:1 0.7320 2.6826 0.1383 0.5350 0.2709 0.1747 0.6914 0.7200 0.0205 0.5648
Lys-Gln 1.4531 2.4321 0.5348 0.9962 0.2743 0.1732 0.4313 1.0326 0.0168 0.4114
Lys-Gly 0.8150 2.1247 0.4461 0.4114 1.4059 0.3323 0.9938 0.6460 0.0689 0.3634
Lys-Ile 1.7503 2.2255 0.4085 0.6533 0.8656 0.1412 0.5045 0.4680 0.0549 0.2159
Lysine 0.6721 1.7551 0.6607 0.4620 0.4638 0.6053 1.0978 0.6823 0.9179 1.1972
Lys-Pro 0.5421 2.1523 0.6588 0.4541 0.6475 0.4282 1.0121 0.4180 0.3661 0.1636
Lys-Ser 1.0246 2.2571 0.4435 0.9004 0.1981 0.1525 0.3274 0.6668 0.0301 0.2850
Lys-Tyr 0.9626 1.6667 0.5236 2.1388 1.1777 0.2676 1.1543 0.7735 0.0462 0.6314
Lys-Val 1.0772 2.3960 0.2832 0.3700 0.8628 0.2792 0.7741 0.2704 0.0790 0.2697
Mesalamine 0.6381 0.1873 1.7971 1.0259 0.0562 1.6406 0.9853 1.9109 2.3273 0.0001
Methionine 0.7722 1.2719 0.9624 0.6687 0.6992 0.9086 1.0905 0.5411 1.1946 0.8122
Methionine sulfoxide 0.9339 1.9961 0.6552 0.3500 0.5650 0.4556 0.7271 0.1995 0.9812 0.9111
Methylguanidine 0.7578 0.6204 1.2464 0.6836 1.6811 1.3406 1.4455 0.5836 0.8059 0.5186
Methylimidazoleacetic acid 0.8710 0.3381 2.0582 1.3449 0.4774 1.2310 0.8905 0.1394 0.6919 0.1802
Met-Lys/Lys-Met 1.0745 2.8106 0.2359 0.7128 0.4416 0.1329 0.2001 0.8309 0.0285 0.0377
Met-Val 1.6393 1.2452 0.8139 0.8585 2.2321 0.3707 0.7026 2.4760 0.0303 0.1355
Monoethylglycinexylidide 0.4364 1.4658 0.8612 0.5730 2.5386 1.4472 0.5708 0.3994 1.2769 0.1535
myristoleate 1.0371 1.0490 0.9259 0.8405 1.3186 1.4284 0.6352 0.6145 0.6418 0.5534
N1-Acetylspermidine 1.3155 0.8240 0.9718 1.0314 2.0451 1.1733 0.9337 0.6292 0.5016 0.2974
N1-Methyl-2-pyridone-5-carboxamide 0.4701 0.8503 1.9284 0.8623 0.8961 1.1216 0.5338 0.3952 0.7260 0.5911
N1,N12-Diacetylspermine 0.9387 1.3798 0.6501 1.4714 2.3822 0.8650 1.0215 0.3951 0.0475 0.2087
N2,N2-Dimethylguanosine 0.0649 3.2646 0.0956 0.0116 2.7127 0.0517 0.2379 0.7729 0.0378 0.0245
N6-Acetyllysine 0.9618 1.4827 0.6867 1.0986 1.2069 0.6571 1.0094 0.6035 0.7903 0.8077
N6-Methyladenosine 0.8935 0.4443 1.1787 0.8978 1.0218 2.1290 0.4751 1.8858 0.2708 0.3226
N(6)-Methyllysine 0.5926 2.1668 0.5600 0.6247 0.7977 0.2944 1.0408 0.6355 0.3290 0.6891
N(6),N(6)-Dimethyl-lysine 1.0020 1.9695 0.5313 0.5659 1.1150 0.3443 0.9202 0.8473 0.3019 0.6899
N-6-Trimethyllysine 0.6817 1.3206 0.4889 0.5986 1.4793 0.8869 1.4645 3.7466 0.1387 0.3370
N-acetyl-5-Aminosalicylic acid 0.4059 0.0808 1.8323 0.8798 0.1540 2.0809 0.9805 0.6551 3.0762 0.0006
N-Acetylarginine 0.8189 0.8696 1.1556 1.0467 2.0638 1.0529 0.8214 1.5260 1.7335 0.3158
N-Acetylaspartic acid 1.2501 0.9673 0.8802 1.6628 0.7650 0.7948 1.3566 0.6096 0.3171 0.1131
N-Acetylcadaverine 1.5058 0.7865 0.8187 0.9223 2.2648 1.2669 1.1148 0.1318 0.1390 0.1719
N-Acetyl-D-galactosamine 1.1917 1.1856 0.6996 1.0876 0.3759 0.7164 1.1496 1.4630 0.7993 1.6766
N-Acetylglutamic acid 1.3036 0.5479 1.0839 1.7402 1.0024 1.2063 1.1799 0.3507 0.8002 0.7820
N-Acetylglutamine 0.5294 0.6381 0.8391 0.6829 5.9601 1.3554 0.7332 2.0769 1.2100 0.2207
N-Acetylhistamine 0.5415 0.7876 0.8256 0.8956 0.8427 2.2746 0.9131 0.6206 0.7474 0.4237
N-Acetylhistidine 0.7862 1.5161 0.7257 0.4961 0.2408 0.8469 1.0356 0.3766 1.0566 1.7684
N-Acetylisoputreanine 0.7584 1.0745 0.9748 0.8184 2.9088 1.0007 1.0133 1.0175 0.5115 0.6668
N-Acetylleucine 1.4392 0.8235 0.8742 0.9470 1.5604 1.3084 0.8641 0.3056 0.9285 0.5156
N-Acetylornithine 1.1454 1.1939 0.6569 1.0695 1.5734 0.9952 1.0687 0.6512 0.7513 0.6234
N-Acetylputrescine 0.8159 1.1042 0.8468 0.5401 4.3110 1.1070 0.8014 0.9301 0.7461 0.5612
N-Acetylvaline 1.7610 0.4368 1.0163 1.3678 2.6603 1.2058 0.8448 0.5953 0.8656 0.6025
Nicotinic acid 1.0525 0.6133 1.2534 1.4094 1.2250 1.2285 1.1162 0.5183 0.6606 0.5838
Nicotinuric acid 2.5575 0.0877 0.8757 0.8251 0.6746 1.2204 1.0665 1.3276 0.8775 NA
N-Lauroylglycine 0.6488 1.7149 0.5102 0.7092 0.7948 0.8346 1.1815 0.2452 0.1179 0.3429
N-methylhistamine 0.4767 1.4078 0.5168 0.4532 1.2711 1.1556 1.3627 1.9564 1.2465 0.2539
N-Methyl-proline 1.6567 0.2193 1.2887 0.3511 0.3441 1.1037 1.6166 0.1691 3.2499 0.2472
N-Methylserotonin 0.4627 0.2233 1.2821 1.5122 1.0764 0.7979 2.5085 0.0162 0.0449 0.0075
N-Oleoyl glycine 0.6153 1.0206 0.6448 0.3434 1.0410 1.7153 1.3027 1.7972 0.2638 0.7702
Norharmane 1.1724 0.7279 0.9553 0.5369 5.9062 0.6749 1.3482 0.2414 0.2998 1.3146
Nor-psi-tropine 1.2650 0.8062 1.1364 0.3444 4.9214 1.0077 0.6036 1.0166 0.7477 0.2605
O-ethyl-homoserine 0.9988 0.9822 1.0534 1.0400 0.9331 1.0406 0.9808 0.5289 1.4739 0.5466
Oleoyl-EA 0.4889 0.8272 1.2258 0.5318 0.8312 1.5426 1.1364 1.2227 0.3360 1.0194
Ornithine 0.6540 1.8874 0.6810 0.3738 0.5568 0.6051 1.0229 0.5361 0.8357 0.7041
Palmitoyl-EA 0.6289 1.0212 1.0603 0.6152 0.8328 1.3503 1.0405 0.8235 0.4535 1.4252
Pantothenic acid 0.8831 0.6370 1.3208 1.0831 0.9928 1.2656 1.1341 0.3930 1.5806 0.4417
PC 32:0 0.9169 2.4345 0.1201 0.5633 0.4341 0.1280 0.6414 0.6621 NA 0.7629
PC 34:1 0.9710 2.4975 0.1612 0.4396 0.2027 0.2443 0.7680 0.9390 0.0529 0.8779
PC 34:2 0.7613 2.0115 0.3250 0.2738 0.1736 1.2977 0.6098 0.8906 0.2948 1.0425
PC 34:3 1.0295 2.2253 0.1230 0.4227 0.2410 0.1575 0.6038 0.5170 0.0125 0.8119
PC 36:2 0.6764 2.2755 0.2963 0.5661 0.5080 0.7226 0.5748 1.1831 0.1310 0.9326
PC 36:3 0.7093 1.5992 0.6109 0.7450 1.4796 1.3038 0.5706 1.0461 0.3072 0.7888
PC O-18:0 (C16-PAF) 1.3490 2.4632 0.1031 0.5145 0.3404 0.1908 0.6585 0.6706 0.0143 0.6398
PC O-32:0 0.8001 2.3841 0.1550 0.6996 0.5613 0.1579 0.6333 0.5982 NA 0.4579
PC P-32:0 or PC O-32:1 0.6541 1.9516 0.2003 0.6637 0.0996 0.2017 0.5563 0.7159 NA 0.4235
PC P-34:0 or PC O-34:1 0.8291 2.2329 0.1255 0.5912 0.2816 0.1011 0.7687 0.8424 NA 0.5973
PC P-34:1 or PC O-34:2 0.6508 2.2187 0.0963 0.3125 0.0016 0.1188 0.8142 1.2698 NA 1.3321
PC P-34:2 or PC O-34:3 0.4000 2.4894 0.0691 0.0586 NA 1.1553 0.4830 1.2215 NA 0.3955
PC P-36:1 or PC O-36:2 0.4664 2.2429 0.0999 0.5540 0.0026 0.0740 0.5648 0.8034 NA 1.0020
PE 30:0 1.7999 0.5175 0.8337 0.7292 1.7478 0.4606 1.9032 0.4585 0.6399 1.6473
PE 34:2 1.7589 2.2969 0.3296 0.2027 0.5809 0.2375 1.1934 0.0148 0.0260 0.3728
PE P-34:1 or PE O-34:2 0.3641 2.7829 0.1878 0.0731 0.0375 0.0431 0.7377 0.6687 NA 0.7911
PE P-34:2 or PE O-34:3 0.1223 2.9895 0.4525 NA NA 0.2406 0.4216 0.0863 NA 0.1648
PE P-36:2 or PE O-36:3 0.1605 2.8684 0.5122 0.0197 NA 0.2019 0.6953 0.5267 0.0404 0.9135
Phe-Glu 0.8498 2.1873 0.4813 0.4161 0.9279 0.3258 0.7300 0.4885 0.2064 1.0708
Phe-Gly 0.8255 2.1008 0.5487 0.4781 2.2765 0.2436 0.5919 0.7501 0.1449 1.6220
Phe-Ile 2.1882 1.9921 0.2752 0.6272 1.1023 0.1009 0.3980 0.6675 0.0566 0.5084
Phe-Lys 1.8976 2.0435 0.2725 0.7358 0.1211 0.3579 0.3557 0.9417 0.2030 0.5586
Phe-Met 0.9641 2.3260 0.4910 0.6989 0.5581 0.2254 0.2948 0.6510 0.0261 0.8755
Phenylalanine 0.5989 2.0801 0.5860 0.4028 0.5322 0.5590 0.8394 0.4458 0.6169 0.7421
Phenylalanine-d8 [iSTD] 0.9278 1.4586 0.8116 0.7629 0.9871 0.8272 0.8401 0.7496 0.5497 0.9024
Phe-Phe 2.2630 1.9294 0.2070 0.5732 0.8737 0.1548 0.4594 0.6006 0.1558 1.9808
Phe-Ser 1.0503 1.6723 0.6861 0.6110 2.0249 0.5472 0.6555 0.8412 0.3770 1.1115
Phe-Thr 0.9815 2.0357 0.5236 0.4531 2.6755 0.3266 0.5740 0.5285 0.4374 0.9950
Phe-Trp 1.5586 1.7831 0.2598 0.4755 3.6689 0.1238 0.3799 0.1816 0.0007 0.0314
Phe-Tyr 2.0374 1.8350 0.3160 0.6132 1.6595 0.2128 0.3538 1.0936 0.1811 0.8788
Phytosphingosine 2.9376 0.3429 0.7233 0.4770 1.2061 1.2329 0.7701 0.7450 0.8338 0.3167
Pipecolic acid 1.1992 0.4188 1.2726 1.3266 0.4979 1.4900 1.0379 0.3013 1.5121 0.7228
Piperine 0.3941 0.2589 2.2486 1.1916 0.4440 1.5737 0.7680 0.9082 0.1292 0.3172
Pro-Ala/Ala-Pro 0.6912 2.5944 0.4637 0.1152 0.6224 0.2441 0.5793 0.1239 0.0380 0.1371
Pro-Gly 0.7872 1.9087 0.9836 0.2357 1.3351 0.2055 0.5812 0.0894 0.0835 0.0806
Pro-hydroxyPro 0.3261 0.2349 0.8078 0.2413 0.7597 2.1157 2.4576 0.2438 1.2330 NA
Proline 0.6260 1.6770 0.8381 0.4767 0.2955 0.6475 1.0017 0.5116 0.9858 1.2898
Proline betaine 0.8869 0.5251 0.8999 0.3698 14.6161 0.7033 0.7940 0.4268 0.3094 0.3958
Protoporphyrin 1.4343 0.8027 0.7106 0.6619 4.8057 1.3314 0.8092 0.2037 0.2992 0.3658
Pro-Val 0.6996 1.6752 0.8491 0.7426 0.9653 0.7167 0.9260 0.4482 0.6168 0.2705
Pterin 0.8460 0.3423 1.4977 1.4296 0.3963 1.7688 0.7987 0.4358 1.5681 0.3737
Putrescine 0.7829 1.3090 0.7526 0.6857 2.5514 0.9737 1.0403 1.1735 0.1911 0.4967
Pyridoxamine 1.1031 0.3831 1.4622 1.3177 1.0851 1.4665 0.7899 0.3147 1.9881 0.4908
Pyridoxine 1.3098 0.4929 0.7828 1.9950 1.0763 1.8289 0.9487 0.4064 0.7620 0.1729
Retinol 0.8378 0.6225 1.1298 0.7795 1.8833 1.2106 1.1517 1.8138 1.8477 0.7344
Ribothymidine 1.4676 0.5421 1.1542 1.5990 0.7406 1.1870 0.7934 0.2444 2.0317 0.4559
(R)-Salsolinol 2.3656 0.3314 1.1331 1.1379 0.2307 0.7466 1.1974 0.4086 1.0581 0.3429
S-Adenosylmethionine 2.2771 0.5683 0.8666 0.7630 0.1135 0.9360 0.5148 2.3413 NA NA
Ser-Arg 1.9246 1.8892 0.3903 0.5310 0.2693 0.1840 0.4021 2.4813 0.4405 0.0191
Ser-Ile 1.3230 1.9949 0.5496 0.6391 2.5425 0.1949 0.4203 0.7231 0.1235 0.6622
Serine 0.6357 1.8747 0.6440 0.4632 0.5953 0.6895 0.8683 0.5812 0.7920 1.3340
Serotonin 1.0439 0.1548 1.9438 0.9793 0.6460 0.9869 0.4922 1.1041 1.0984 0.1641
Ser-Pro/Pro-Ser 0.9715 1.5985 0.6476 0.7605 1.4212 0.7742 0.9156 0.5627 0.4699 0.5300
Ser-Ser 1.2238 2.2815 0.3764 0.6994 1.7451 0.1359 0.3163 1.2054 0.0085 0.1313
Ser-Thr 1.2776 2.3763 0.3904 0.4558 1.3227 0.1156 0.3929 0.6567 0.0311 0.3759
Ser-Trp 0.9897 2.2789 0.4741 0.4281 6.4288 0.0954 0.3072 0.7463 0.0543 0.6459
Ser-Val 1.2260 2.0431 0.4457 0.4886 1.7776 0.2727 0.6976 0.4458 0.1283 0.5406
SM 18:1;O2/14:0 1.0019 1.8486 0.2303 0.6936 0.9954 0.4698 0.7423 0.5904 NA 0.8771
SM 18:1;O2/16:0 1.1062 2.1890 0.1981 0.6425 1.0941 0.4108 0.7840 0.6483 0.0624 0.8341
SM 18:1;O2/16:1 0.6424 1.7943 0.2950 0.5578 0.7092 0.3551 0.5050 0.4468 NA 2.0551
SM 18:1;O2/18:3 1.0275 2.1113 0.2069 0.8670 1.0785 0.4596 0.8154 0.7877 0.0717 0.7779
S-Methylcysteine S-oxide 0.9892 0.7049 1.1998 1.2255 1.0615 1.2638 1.0096 0.7109 0.9169 0.6204
sn-Glycero-3-phosphocholine 1.6207 1.8298 0.2922 0.6056 0.2243 0.5520 0.4008 2.5999 0.0285 1.1173
Solanidine 0.8687 0.5824 0.9325 0.5913 0.5597 2.1606 1.3053 0.1431 0.3558 0.4905
Sphinganine 1.5709 0.6644 1.1365 0.5334 0.8336 1.3099 0.7884 0.2345 1.7729 0.2920
Stearamide 0.7388 0.8432 0.7637 0.6601 0.6563 0.5788 0.9588 3.5231 0.5871 8.5849
Stercobilin 1.3198 0.6717 1.2207 2.0291 0.0032 1.5119 0.3494 NA 0.1019 1.5459
Symmetric dimethyl-arginine 0.7549 1.3900 0.8364 0.5848 2.1133 0.8342 0.9139 1.2846 0.9424 0.3869
Targinine 0.6452 1.8777 0.7418 0.4961 0.6536 0.4856 1.0421 0.9457 0.4763 0.6606
Taurine 0.5852 1.6323 0.7565 0.7043 0.5601 0.7383 1.3143 0.8208 0.0193 0.7027
Tetradecylamine 1.1127 0.9738 1.0816 0.7023 0.5585 0.6198 1.2027 1.2798 1.1895 2.0182
Theobromine 1.0509 0.6537 0.9994 1.2369 2.0020 1.4455 1.0793 0.6461 0.5081 0.4980
Thiamine 0.5524 0.1987 0.6970 0.5720 0.6581 3.9991 0.4359 0.1336 0.8786 0.1714
Thr-Arg 2.2870 1.3358 0.6215 0.4938 0.7106 0.3456 0.6622 1.2371 0.3296 0.0191
Threonine 0.6848 1.6714 0.7758 0.5141 0.4960 0.7560 0.8984 0.5013 0.9391 1.1549
threosphingosine 2.0900 0.7726 0.7450 0.7328 0.8468 1.0656 0.8145 0.4365 1.2805 0.9020
Thr-Gln 1.5097 2.0612 0.4735 0.3571 1.2395 0.2581 0.3734 0.7579 0.1812 0.6923
Thr-Glu 0.7993 2.3148 0.6098 0.3571 0.6218 0.2658 0.6217 0.3584 0.0655 0.3229
Thr-Ile 1.2355 2.1413 0.4866 0.4154 1.9118 0.2105 0.4967 0.5635 0.1207 0.3796
Thr-Phe 1.3190 2.5394 0.3351 0.3777 1.2428 0.1646 0.2810 1.0280 0.2276 0.7299
Thr-Pro 0.7825 1.9611 0.5255 0.5026 0.6208 0.6708 0.9716 0.3589 0.6092 0.3892
Thr-Thr 1.4204 2.3163 0.3332 0.3078 1.1747 0.1730 0.4722 0.5063 0.0595 0.4732
Thr-Trp 1.0358 2.0952 0.4473 1.3683 1.6807 0.1920 0.2775 0.8594 0.1371 0.1219
Thr-Tyr 3.9677 1.7102 0.0190 0.0096 0.0074 0.1509 0.0149 0.0114 0.0005 0.0034
tridecylamine 0.8870 0.9493 1.3993 0.8323 0.5918 0.5977 1.1408 1.6540 0.8259 0.9988
Triethanolamine 2.0514 0.9501 0.8631 0.3441 0.4383 0.6603 0.6131 1.9053 1.0116 1.9594
Trigonelline 1.0624 0.4209 1.1295 0.5933 9.9111 0.9159 0.9817 0.6255 0.3106 0.0644
Triisopropanolamine 0.7896 1.0050 1.3934 0.7303 1.1593 0.7561 0.8541 1.6699 0.8219 1.0597
Trimethylbenzene 0.9423 0.5965 0.9071 2.8871 1.4411 1.1292 1.3611 0.5923 0.8129 0.5137
Trp-Gly 1.4203 2.3161 0.2115 0.2055 0.6751 0.1343 0.8828 0.3322 0.0312 1.6446
Trp-Thr 0.5742 2.4926 0.0340 0.0016 0.3484 0.2234 0.3749 0.0114 NA 0.1087
Trp-Trp 1.0754 2.2986 0.2148 0.3582 1.7719 0.0613 0.3682 0.1840 0.0355 0.0473
Trp-Tyr 1.9000 2.2622 0.2228 0.3233 1.2136 0.1646 0.3046 0.3511 0.2401 0.1116
Trp-Val 1.0211 1.8930 0.7193 0.5787 1.6135 0.4251 0.6529 0.6253 0.3358 0.3316
Tryptamine 0.1065 1.5315 0.1323 0.3140 0.1154 1.9643 1.9839 0.3128 0.3087 0.0833
Tryptophan 0.6045 1.9538 0.5886 0.4747 0.3846 0.6879 0.8813 0.5787 0.6935 0.8610
Tyramine 0.0964 1.3579 0.1299 0.7149 0.3278 2.1355 1.5459 0.7448 0.0667 1.4375
Tyr-Leu 1.4010 2.0787 0.4004 0.7041 3.4248 0.1370 0.4002 0.7398 0.0743 0.2775
Tyrosine 0.6529 1.8895 0.7352 0.4902 0.5285 0.5827 0.8697 0.5175 0.7579 0.6458
Tyr-Pro 0.7957 1.6908 0.6526 0.5274 0.8850 0.7760 1.0326 0.4078 0.4698 0.6347
Tyr-Tyr 1.1453 2.6273 0.7163 0.3429 0.4236 0.5595 0.1261 0.9978 1.7466 0.6717
Tyr-Val 0.9636 2.2859 0.4397 0.5444 2.5855 0.1976 0.3965 0.8001 0.0944 0.1980
Ureidopropionic acid 0.3719 0.9084 0.7058 0.6791 1.0650 2.0011 1.2132 1.6407 0.1776 1.0946
Uric acid 0.9491 0.9004 1.2488 1.9836 4.3252 0.6901 0.4295 0.7795 1.4405 0.0767
Urocanic acid 0.6927 0.7528 1.4185 0.5266 0.7805 1.5342 0.6245 0.3470 1.4775 1.7119
Val-Ala 1.1309 2.1931 0.4559 0.4932 1.3972 0.2406 0.6918 0.5042 0.1108 0.4034
Val-Arg/Val-Arg 2.2922 1.3478 0.5348 1.0906 1.1957 0.2698 0.8585 1.0913 0.2387 0.2211
Val-Asn 0.7753 2.7106 0.3594 0.5176 1.0401 0.1731 0.2787 0.5090 0.2222 0.2830
Val-Asp 0.7525 2.3608 0.3476 0.3735 0.8601 0.2666 0.8931 0.4712 0.1662 0.8184
Val-Gln 0.9388 2.6280 0.4909 0.2732 0.9857 0.0764 0.1398 0.2581 0.0104 0.0810
Val-Glu/Leu-Asp/Ile-Asp/Asp-Leu/Asp-Ile 1.4494 0.6324 0.9242 0.6588 0.5294 0.6096 0.9297 0.4847 7.4275 1.5739
Val-Gly 1.1503 2.2479 0.5469 0.2532 0.8379 0.2135 0.5062 0.6214 0.0857 0.3713
Val-His 1.8969 2.1690 0.1219 0.1011 0.1966 0.1749 0.1329 0.5973 0.0209 0.0381
Valine 0.7635 1.5443 0.6488 0.6133 1.7064 0.8692 1.0449 0.7480 0.4855 0.5498
Valine-d8 [iSTD] 0.9231 1.4134 0.8412 0.7888 0.9992 0.8501 0.8550 0.7340 0.5829 0.8833
Val-Lys 1.0918 1.2050 0.9435 1.0260 1.7388 0.7799 0.8419 1.3144 0.8532 0.0518
Val-Met 1.2995 2.2451 0.5042 0.4455 1.7692 0.2004 0.2685 0.6535 0.1101 0.5322
Val-Pro 0.7099 2.3191 0.4122 0.1479 1.1621 0.3738 0.8934 0.2048 0.0998 0.4079
Val-Ser 1.0645 2.3703 0.3913 0.3383 1.3714 0.1452 0.5263 0.4788 0.0428 0.1521
Val-Trp 1.1971 2.4857 0.4293 0.2932 1.1446 0.0772 0.2671 0.6375 0.0174 0.2114
Val-Tyr 1.3579 2.3839 0.4449 0.4323 1.5999 0.2178 0.3108 0.8637 0.3086 0.2764
Venlafaxine 0.6437 1.7334 0.8974 0.7146 0.1306 0.6578 0.7900 1.3293 2.3930 0.3604
Xanthine 0.9209 0.9749 1.2772 0.5934 0.7647 1.1239 0.6711 0.8097 1.5405 0.9208
Xanthosine 1.2833 1.4053 0.6072 1.2429 1.8920 0.7331 0.7661 1.0403 0.1413 0.3437
Run Hierarchial cluster analysis on this study | Run Heatmap cluster analysis on this study

Factors:

F1collectionWeek:0 | PUCAI_C3_WKall:mild
F2collectionWeek:0 | PUCAI_C3_WKall:moderate/severe
F3collectionWeek:12 | PUCAI_C3_WKall:inactive
F4collectionWeek:12 | PUCAI_C3_WKall:mild
F5collectionWeek:12 | PUCAI_C3_WKall:moderate/severe
F6collectionWeek:4 | PUCAI_C3_WKall:inactive
F7collectionWeek:4 | PUCAI_C3_WKall:mild
F8collectionWeek:4 | PUCAI_C3_WKall:moderate/severe
F9collectionWeek:52 | PUCAI_C3_WKall:inactive
F10collectionWeek:52 | PUCAI_C3_WKall:moderate/severe
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