Data for (Study ST003521)

(Analysis AN005782)

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

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MetaboliteF1F2F3F4F5F6F7F8F9F10F11F12F13F14F15F16F17F18F19F20F21F22F23F24F25F26F27F28F29F30F31F32F33F34F35F36F37F38F39F40F41F42F43F44F45F46F47F48F49F50F51F52F53
10,11-dihydro-20-trihydroxy-leukotriene B4 0.3583 0.2293 0.1944 0.2380 0.5771 0.9364 0.5364 0.5747 0.5514 0.4962 0.7681 0.4963 2.3217 1.7563 1.9266 2.1467 1.1289 1.0142 2.5461 1.7216 0.5971 0.8474 1.0011 1.0666 1.7465 1.0190 2.3698 1.7989 0.6967 0.6591 1.1324 1.1611 0.9926 0.5960 0.5764 1.0068 0.3434 0.7477 0.7729 0.9669 0.2473 0.3119 0.3490 0.5752 0.3286 0.2997 0.4683 0.1997 2.3663 1.9834 1.9603 2.1679 1.1252
1-(14-methyl-pentadecanoyl)-2-(8-[3]-ladderane-octanyl)-sn-glycerol 0.5378 0.5685 0.5955 0.1842 0.9479 0.7972 0.5682 0.8391 0.7104 0.6490 0.8372 0.7422 1.1640 1.1231 1.1237 1.3123 1.2940 1.1886 0.8926 1.2357 1.1108 1.1389 1.4314 1.0595 1.3225 0.9765 0.9623 1.0633 1.0937 1.0137 1.1118 1.0768 1.2025 0.8876 1.0721 0.8402 0.7081 0.7796 0.7853 0.5217 0.8512 0.9618 0.9604 0.7480 0.2976 0.9263 0.7974 0.9738 1.3825 1.9894 2.2657 2.3753 1.0010
1,2-dihexadecanoyl-sn-glycero-3-phosphosulfocholine 0.0120 0.5644 0.0682 4.0803 0.5972 0.4680 3.6398 0.4657 0.8150 2.2521 0.3237 2.9255 2.0593 2.4013 0.8117 0.9798 0.0571 0.5170 3.4176 0.2713 0.1966 1.5627 0.3212 0.3790 0.2276 0.3711 1.0948 0.2414 0.0773 0.3770 0.3637 0.9885 0.2314 0.3263 0.1566 0.2281 0.3369 0.1335 1.0820 4.4199 0.3947 0.1251 0.2212 1.4568 5.0179 0.2461 0.6712 0.0938 1.0605 1.2940 1.3881 1.2163 0.9651
1,3,5-trimethoxybenzene 0.1589 NA 0.1270 NA 0.1946 0.6236 0.4266 0.3176 0.5802 0.1590 0.3701 0.1457 1.0845 1.6361 0.7783 0.8315 1.5916 3.0351 1.0073 1.3804 3.1409 1.1433 2.2059 1.2612 0.9369 0.7361 0.8628 0.9838 2.7166 1.5913 1.7357 0.9504 1.0951 0.5120 0.7777 1.5134 0.1295 0.3088 0.1847 NA 0.1925 0.1533 0.2507 0.1621 0.1719 0.6345 0.4371 0.2296 1.7619 2.7015 2.0381 2.2305 1.8018
1-4-beta-D-Glucan 0.4036 0.6571 0.4702 0.7730 0.6038 0.7476 0.8263 0.7641 0.5208 0.5661 0.5932 0.6090 1.9236 1.7807 2.0948 1.5739 0.5316 0.8797 1.5419 1.1592 0.4348 0.8783 0.7884 0.8213 1.2302 1.2694 2.1428 1.4289 0.6831 1.0004 1.2738 1.4072 0.5345 0.5758 0.5595 0.6875 0.4876 0.4516 0.8146 0.8226 0.5642 0.5760 0.8125 2.1458 0.5263 0.3285 0.8188 0.2247 1.2603 2.6228 2.4722 2.2207 1.1148
1,6-anhydro-N-acetylmuramate 0.3781 0.5279 0.5836 0.4234 0.4947 0.5633 0.4509 0.5913 0.6930 0.7960 0.5360 0.6260 1.0512 0.7852 1.0844 1.1973 0.6450 0.6310 0.7128 0.7480 0.4492 0.6998 0.5857 0.3421 1.4613 1.1288 1.4500 1.2000 0.8343 0.9553 1.0418 1.0889 0.9974 1.2666 0.8591 0.9955 0.5944 0.5118 0.8048 0.7521 1.2147 1.4697 1.7869 2.4956 0.7689 1.5067 1.5455 1.3113 6.4310 1.1603 1.2486 1.2720 1.1675
1-(beta-D-Ribofuranosyl)-1,4-dihydronicotinamide 1.1538 0.8700 0.7209 0.4238 0.4732 0.7912 NA 0.5072 0.7303 0.4864 0.8891 0.5308 0.7368 0.4794 0.5734 0.7026 1.1628 0.5692 0.6463 0.8344 0.7950 0.6058 0.9765 1.1810 1.6709 0.9241 1.7608 1.7812 1.5507 1.0448 1.6135 1.5299 2.0001 1.0284 1.2607 1.6037 0.2646 0.7341 0.5532 0.3935 0.5939 0.9459 0.9462 1.1289 0.2394 0.6348 1.0787 0.2524 1.5933 2.3008 2.4163 2.1857 1.1289
1-carboxymethylpyridinium 0.4817 0.9744 1.5375 1.9388 0.8209 1.0233 1.1333 1.0708 1.6470 0.6035 1.1031 1.3293 1.4007 1.0844 1.4521 1.2042 1.9047 0.9923 1.1749 1.0056 0.5606 1.2987 0.4199 0.7514 0.4187 1.0275 0.8308 1.5853 0.9442 0.7227 0.8202 0.8513 1.1829 0.4733 1.5541 0.8013 0.4342 0.8986 0.8384 0.8624 0.7914 1.2581 0.8498 1.3743 1.9483 1.2028 1.2523 2.2010 0.4918 1.0023 0.9672 0.8467 1.1457
1-deoxyxylonojirimycin 0.5071 0.3584 0.3862 0.2184 0.6253 0.8615 0.5772 0.7362 0.7233 0.4867 0.7424 0.5522 1.0788 1.0851 1.2203 1.2543 1.5637 1.2950 1.4118 1.5905 1.0253 1.1794 1.7605 1.4896 1.5872 0.8998 1.4625 1.2859 1.6758 1.4516 1.8060 1.7583 1.3785 0.7113 0.9092 1.1240 0.3396 0.6527 0.4042 0.1744 0.6039 0.5631 0.7198 0.7432 0.2198 0.5767 0.6808 0.5131 1.1548 1.8695 1.7820 2.0829 1.1402
1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-cytidine-5^- diphosphate 0.3955 0.3555 0.2950 0.1739 0.5255 0.7393 0.4655 0.4744 0.6428 0.5603 0.7004 0.4666 1.0226 0.8044 0.8996 1.0314 1.3630 1.2548 1.2927 1.5298 1.0141 1.7211 1.6517 1.7034 0.9568 0.6743 1.0612 1.0052 1.0200 0.9035 1.0721 1.0728 1.4066 1.0269 0.8698 1.2916 0.2832 0.5323 0.4310 0.2822 0.3023 0.3945 0.5482 0.5112 0.4183 0.6172 0.6862 0.4395 2.1558 3.5580 3.7065 3.7289 0.9608
1-Hydroxypyrene 1.4501 0.4777 0.8687 0.2712 0.6862 1.0494 0.5254 0.9218 0.9269 0.6341 1.1503 0.6891 0.8790 0.6387 0.6570 1.1419 1.2351 0.6466 0.8495 1.3690 0.8827 0.5376 1.1971 1.6907 1.7053 1.0800 1.1371 1.7176 1.4238 0.7483 0.9878 1.3933 1.6269 1.0681 0.9051 1.5087 0.4185 1.2698 0.5566 0.2908 0.4179 0.8462 0.9963 1.4314 0.4427 0.5147 0.5417 0.6047 1.6284 1.5559 1.6158 1.7742 1.4168
1-Methyl-1,3-cyclohexadiene 2.3112 1.2125 1.3342 0.6484 0.6109 0.9648 0.2303 0.8247 0.7329 0.3948 1.0968 0.5481 0.9387 0.5644 0.6562 1.0916 1.3114 0.7363 0.7444 1.0585 1.0556 0.7355 1.3540 1.9435 1.3625 1.0604 1.0764 1.6119 1.2772 0.6838 0.9011 0.8706 1.4629 0.9405 0.7445 1.4318 0.4501 1.3457 0.6962 0.3113 0.8190 1.3313 1.4555 1.6887 0.3421 0.4477 0.6357 0.3162 1.0927 1.4387 1.4317 1.4758 1.1985
1-Pyrroline-2-carboxylate 0.2101 0.4881 0.2548 0.4695 0.5203 0.6884 0.5970 0.5231 0.6083 0.5247 0.4941 0.4687 1.8961 1.5656 1.3737 1.1438 0.5853 1.0878 1.5166 1.0763 0.5430 1.9433 1.0044 0.9393 0.7597 0.7297 1.1136 0.7273 0.6274 0.9551 0.8410 1.3092 0.6755 0.5076 0.6795 0.7840 0.3691 0.3223 0.6274 0.4949 0.4109 0.4545 0.4489 1.1944 0.6403 0.3800 0.7930 0.2159 2.0860 4.2468 4.4183 4.6110 1.0544
(1R,2S,3R)-2-Acetyl-4(5)-(1,2,3,4-tetrahydroxybutyl)imidazole 0.8052 0.5838 0.8219 1.2011 0.3139 1.6123 0.6051 1.1063 0.7432 1.7364 1.0936 0.6186 0.8615 1.4875 0.8741 0.5206 0.8887 0.7698 0.6065 0.7935 0.3748 1.6841 0.7643 1.2185 0.8059 0.7043 1.1263 0.9298 0.3646 0.8085 0.7015 0.6897 0.7995 0.9213 1.1033 1.2446 0.7357 0.5627 0.8689 0.7196 1.0965 1.0393 0.9197 1.2356 0.7610 1.0542 1.4409 0.9877 1.4088 2.3246 2.2393 2.5848 1.6118
(1R,4S)-fenchan-2-one 0.7098 0.5627 0.4369 0.3080 0.5055 0.7540 0.3858 0.6494 0.8180 0.6291 0.7636 0.6163 0.9732 0.8732 0.9544 0.9904 1.1063 1.2099 1.3287 1.1274 1.4174 1.7373 1.7083 1.5756 1.0593 0.7898 1.2455 1.0734 1.2197 1.1701 1.6490 1.6789 2.0849 1.0759 1.5408 1.6475 0.4001 0.6243 0.5000 0.3813 0.4880 0.5574 0.6508 0.9411 0.3979 0.7157 0.7426 0.5552 1.3099 1.6668 1.8678 1.6751 1.1500
(1-Ribosylimidazole)-4-acetate 0.2041 0.1595 0.1691 0.0964 0.6552 0.8109 0.4758 0.5630 0.6209 0.4817 0.6718 0.4896 1.2392 0.9567 1.1022 1.4430 1.6989 1.5879 1.3008 1.8607 1.2784 1.3725 1.5813 1.3639 1.4190 0.9749 1.5425 1.3163 1.5331 1.4344 2.1159 1.7582 1.3050 0.6502 1.0296 1.1591 0.2550 0.4795 0.3651 0.2048 0.3564 0.3768 0.6419 0.6582 0.2961 0.4739 0.5756 0.4421 1.5105 2.2731 2.2527 2.3312 1.0851
(1xi,3xi)-1,2,3,4-Tetrahydro-1-methyl-beta-carboline-3-carboxylic acid 0.3615 0.8276 1.0773 0.3310 1.2500 0.9689 1.2157 1.3665 1.8244 0.4740 1.5033 0.3876 0.8143 1.2321 1.5481 1.9588 2.0133 1.5215 1.3099 1.1347 0.4926 0.3708 0.3327 0.8934 0.2860 1.2381 0.7333 1.7229 0.8989 0.7255 0.7890 1.3086 1.1913 0.3994 1.4955 1.2383 0.1100 0.8814 0.9431 0.4745 0.8257 1.5940 0.6988 0.4422 0.6906 1.5391 1.9523 1.8319 0.4005 1.1043 1.1191 1.0829 1.0498
20-COOH-leukotriene E4 0.3267 0.2978 0.4063 0.2047 0.3442 0.5176 0.3560 0.4217 0.3845 0.3163 0.4918 0.3447 2.1299 1.5104 2.2040 1.8791 1.1774 1.5310 1.6334 1.3626 0.9438 1.0453 1.2050 0.9052 1.6389 1.0256 1.9567 1.3133 0.9082 0.7560 1.1280 0.9491 0.6794 0.3977 0.5690 0.5888 0.2803 0.4004 0.4212 0.2668 0.4500 0.6836 1.0700 1.1070 0.1962 0.4571 0.3896 0.2465 1.6089 3.5127 3.5555 3.4831 1.0209
2,3-Dimethylmaleate 0.3402 0.1881 0.1844 NA 0.5330 0.6340 0.5996 0.5328 0.6028 0.5101 0.6157 0.4782 1.3618 1.1549 1.6873 1.4783 1.7360 1.9779 2.4471 1.6638 1.8425 1.9413 1.9248 1.7485 1.0634 0.8258 1.3841 1.1268 1.1352 1.3407 1.9527 1.4071 1.3385 0.8344 1.5649 0.9456 0.2102 0.4148 0.4285 0.2400 0.3949 0.4185 0.6043 0.7121 0.5076 0.6547 0.6591 0.4285 1.0095 1.0127 1.1542 1.1677 0.8807
2-acetamidoglucal NA NA NA NA 0.3513 0.8973 0.3498 NA 0.2650 0.3867 0.4881 0.0797 1.3397 0.6841 0.7290 0.8725 1.5473 1.0048 1.5391 1.4446 1.2661 1.1353 1.3383 1.5863 0.9907 0.4397 1.2412 0.9268 1.1227 1.0960 1.5733 1.1150 0.5214 0.4659 1.0970 1.3927 NA NA 0.0852 NA NA NA 0.3110 0.3782 NA 0.3446 0.4131 0.3008 2.0469 2.5214 1.9553 2.9711 1.3848
2-Amino-2-deoxy-D-gluconate 0.2490 0.8605 0.9207 2.0252 0.8147 0.7755 1.1977 0.8098 0.5434 NA 0.5498 1.1122 1.0164 1.8451 1.5174 0.8117 0.5417 0.5604 0.9360 0.8330 0.6273 0.9647 0.3992 0.6654 0.1068 0.7803 0.9329 0.8643 0.3297 0.3955 0.4163 NA 1.2288 0.5448 0.5452 0.3282 0.0859 0.3449 0.4938 1.3919 0.9248 0.8838 0.1913 0.7040 1.1901 0.6366 0.7031 0.5977 0.7680 0.5781 0.6052 0.6095 0.8552
2-Amino-4-hydroxy-6-hydroxymethyl-7,8-dihydropteridine NA NA NA NA 0.5314 0.6982 0.9073 0.6694 0.7069 0.5797 0.7505 0.2723 1.2726 1.2300 1.9586 1.7860 1.4619 1.7034 2.0008 1.7422 1.6520 1.6794 1.8808 1.5145 0.9789 0.9625 1.5736 1.2801 1.2158 1.1264 1.8549 1.5613 0.6381 0.7700 1.0327 0.8066 0.2650 0.2809 0.4940 0.2694 0.2823 0.5113 0.7203 0.4388 0.2602 0.6590 0.5045 0.3922 0.8777 1.0803 1.0390 1.0135 1.1129
2-Amino-5-phosphopentanoic acid 0.1592 0.2655 0.1227 NA NA NA NA NA NA NA NA NA 1.4527 1.6364 1.8083 2.2141 1.3987 1.2883 0.9849 1.3230 0.6803 0.8771 0.7157 0.4380 1.5086 1.2237 1.6327 1.4474 0.9319 1.6267 1.1322 1.1150 0.8083 0.3057 0.2110 0.4740 0.1346 NA NA NA 0.7260 1.1009 0.9821 1.4441 0.1829 0.6682 0.3322 0.3304 1.0399 2.0163 1.7989 1.6753 0.7862
2-Aminobutan-4-olide 0.3189 0.2530 0.2544 NA 0.3753 0.7875 0.3733 0.6733 0.8632 0.5613 0.8373 0.6306 1.0745 0.8546 1.1865 1.4115 1.6962 1.7767 1.4586 1.5604 1.2674 1.9371 1.6966 1.7234 0.8659 0.8782 0.9481 1.0710 1.1174 1.2306 1.5806 1.5284 1.6330 0.9230 1.0904 1.4051 NA 0.5774 0.3432 NA 0.2610 0.4344 0.5975 0.7155 0.3184 0.6178 0.7383 0.2892 1.0115 1.7194 1.6101 1.7542 1.1691
2 -(Butylamido)-4-hydroxybutanoic acid 0.5578 0.7919 0.8883 0.6934 0.8220 0.8482 0.7628 0.8042 0.8058 0.8471 0.6700 0.8769 1.6213 0.7799 1.2450 1.2689 0.4769 0.8570 0.9687 0.9281 NA 0.8061 0.6400 0.8343 1.4296 0.8787 0.4968 1.1111 0.6257 0.8125 0.9228 0.6450 0.7848 1.1678 0.9167 0.6613 1.2888 1.1534 1.2596 0.9943 1.8822 1.8914 1.9692 3.0124 0.3002 0.9083 0.9095 0.7888 0.6355 0.9994 1.3523 1.2462 1.1608
2-chlorohexadecanol NA NA NA NA NA NA NA NA NA NA 0.4835 NA 0.6699 NA 0.4992 0.8599 1.3703 0.7202 0.6266 1.0196 0.6479 0.8010 1.2599 0.9407 0.9981 NA 0.5504 0.6075 0.6925 0.7745 0.6708 0.6648 0.9844 NA 0.7592 0.5327 NA NA NA NA NA NA NA NA NA NA NA NA 1.3150 2.8789 2.5952 2.4606 0.6166
2-C-Methyl-D-erythritol 4-phosphate 0.9203 0.8663 1.0514 0.6785 1.1436 1.5962 0.8425 1.1177 1.3810 1.1169 1.0824 0.9252 0.5727 1.0477 0.5256 1.0072 1.0759 1.0800 0.8844 1.0273 1.1726 1.0173 1.3836 1.1278 0.8614 0.6656 0.6044 0.8268 1.1606 1.3477 1.0625 1.0535 1.1261 1.1047 1.0125 1.0561 0.9709 1.1702 1.2080 0.8673 NA 0.5143 0.7958 1.4013 0.7790 0.9708 1.0869 0.9371 NA NA NA NA 0.7727
2-Dehydro-3-deoxy-D-gluconate 0.2504 0.4107 0.2917 0.5225 0.7543 0.7753 1.1260 0.6582 0.6030 0.4877 0.4691 0.5356 2.2499 1.7745 2.0822 1.8644 0.7074 1.4966 2.7457 1.6113 0.6794 1.6080 1.1833 1.0296 1.1034 0.9965 2.1183 1.2644 0.7558 1.3795 1.6591 2.1519 0.5271 0.4228 0.7410 0.7414 0.4110 0.3280 0.6376 0.6652 0.3703 0.4965 0.6624 1.6293 0.6220 0.2871 0.6500 0.1747 1.2521 1.3661 1.3222 1.2804 1.0669
2-Ethylhexyl phthalate 0.7682 0.4585 0.5065 0.4136 0.1479 0.1748 1.0275 0.8515 0.3346 0.2807 1.9247 1.9009 0.4151 0.4671 0.7248 0.8155 0.5359 0.5656 1.1343 1.2320 0.8542 1.2089 3.0882 2.6077 0.6535 0.5779 1.1553 1.2179 0.8026 0.5625 1.4470 1.6137 1.4472 0.6591 2.7534 2.5689 0.1778 0.4705 0.5968 0.5371 0.2179 0.3980 0.8383 1.1597 0.2533 0.3323 2.1970 2.8163 1.0659 1.0407 0.9912 1.0003 1.0091
2-hydroxymethylolanzapine 0.8749 0.5992 0.6605 NA 0.6155 1.0415 0.3375 0.7728 0.7546 0.4361 0.9789 0.8738 1.0941 1.4104 1.2404 1.6624 1.6538 1.3663 1.7311 1.2064 1.0632 0.9794 1.6638 1.6263 0.9379 0.9142 0.7734 1.0924 0.8723 1.0668 1.3035 1.4871 1.3881 1.1194 1.1671 1.4861 0.2971 0.9442 0.4942 NA 0.3605 0.7353 0.9714 0.6991 NA 0.7412 0.8721 0.5607 0.7957 1.2265 1.0188 1.0241 1.0079
2-Methyl-3-hydroxy-5-formylpyridine-4-carboxylate 1.4562 0.9329 1.3748 1.0113 0.9793 1.2866 0.8268 1.3238 0.8138 1.0212 0.9820 1.0004 1.0616 0.9971 0.8014 0.8511 1.2615 0.8727 0.7116 1.0028 1.1007 0.8002 0.9650 1.3729 0.8125 0.7120 0.8481 1.0193 1.1897 0.7153 0.8894 0.6731 1.1965 1.1405 1.1743 1.3611 0.8930 1.4107 0.9338 1.0158 0.8888 1.0999 1.2822 1.8139 0.7842 1.0452 1.0287 1.2662 0.4477 1.3630 1.4626 2.2018 1.5383
2-Oxobutanoate 0.6489 0.4109 0.3717 0.1890 0.5991 0.8425 0.4631 0.5671 0.9334 0.6323 1.0198 0.6094 0.9532 0.8444 0.7310 0.8016 1.5649 1.4940 1.5787 1.5699 1.9717 2.2929 2.2012 2.2434 0.7606 0.6453 0.9567 0.8614 1.6937 1.4670 2.0705 1.7604 2.2271 1.4009 1.9755 1.9915 0.2970 0.6655 0.4065 0.2160 0.2631 0.3363 0.3895 0.5102 0.4305 0.8253 0.9592 0.5947 1.6405 1.9053 2.0471 1.9486 1.2170
(2R,4S)-2,4-Diaminopentanoate NA 0.5968 NA 4.8560 0.2721 0.2254 1.2275 NA 0.2222 0.2958 NA 0.3860 2.5731 4.1406 1.1661 1.4643 NA 0.6844 2.2923 0.1654 NA 0.4593 NA 0.3257 0.1822 0.4759 1.3946 0.3161 NA NA 0.2641 0.5447 NA NA 0.1278 NA 0.1523 NA 0.2605 2.1007 0.5131 0.1500 0.1591 3.9339 3.0554 NA 0.5631 NA 0.4211 0.5397 0.4863 0.3784 0.6279
(2S,4S)-Monatin 0.4195 1.3149 0.7853 NA 1.1592 0.7901 0.9803 1.3691 1.0586 1.1023 1.1146 0.3448 1.2021 1.0870 0.8312 1.1022 1.1967 0.9493 1.6905 1.3524 1.2388 0.3225 1.1471 1.3973 0.1471 1.5973 1.5493 1.1996 0.7280 1.8313 1.6861 1.2831 1.4317 1.4477 0.9457 1.5890 0.4389 0.8586 1.4332 1.7631 1.2854 0.7637 0.4141 1.4410 0.7721 0.8585 1.5822 1.6312 0.4638 1.0212 1.1121 1.0316 0.6569
3,5,7-Trimethyl-2E,4E,6E,8E-undecatetraene 0.1330 NA 0.2698 NA 0.3844 0.4892 0.4532 0.5722 0.4550 0.2589 1.1146 0.7266 0.8531 0.6819 1.0912 1.0846 1.3407 1.2716 1.2698 1.7550 2.2798 1.8721 3.2432 2.8059 0.7894 0.3273 1.0514 0.8055 1.0125 0.8237 1.5397 1.1450 1.3565 0.6889 2.0134 1.6326 0.0791 0.2071 0.3961 0.2252 0.1527 0.3272 0.5547 0.6307 0.1992 0.4619 0.8137 1.1459 1.3320 2.1496 1.8488 1.9339 0.9505
3,6-Dideoxy-L-galactose 0.1731 0.1366 0.1506 NA 0.4464 0.7089 0.5153 0.4536 0.5428 0.3325 0.4851 0.1859 1.2262 0.9867 1.5072 1.2859 2.0585 1.8133 1.5890 1.7783 1.9446 1.7711 1.7852 1.3820 1.2448 0.9147 1.6208 1.2492 1.8171 1.6880 1.9205 1.4760 1.1324 0.6399 1.1578 1.0694 0.2391 0.3425 0.2254 0.1367 0.4853 0.4929 0.7399 0.5509 0.3411 0.7569 0.5130 0.5001 1.3339 1.7650 1.6897 1.6477 1.0508
3-Acetamidobutanal 0.5040 1.3025 0.9267 NA 1.0940 0.8572 0.6845 1.4464 1.1695 0.7425 1.0868 0.5414 0.8725 0.7963 0.7575 1.1169 1.2042 0.7265 1.1800 1.4410 0.8542 0.3104 1.0325 1.4320 0.1958 1.6107 1.1427 1.3818 0.9129 1.5753 1.6129 1.2958 1.4775 1.3090 1.1125 1.6005 0.4709 0.8963 1.4526 1.4499 1.4030 0.8856 0.4580 1.9498 0.6502 1.0137 1.5736 1.7994 0.6601 1.0755 1.2244 1.2619 1.2323
3-Butynoate 0.0074 0.4069 0.0387 3.8296 0.1407 0.1312 1.0737 0.1288 0.1895 0.5285 0.0778 0.6281 4.8045 6.2620 1.5163 1.8277 0.0721 0.6436 5.3268 0.3364 0.1732 1.1650 0.2246 0.2913 0.3521 0.6390 2.1629 0.3665 0.0641 0.4005 0.3675 0.9694 0.1283 0.1950 0.0844 0.1397 0.1627 0.0659 0.5508 2.4482 0.3809 0.1346 0.2604 2.1426 4.8982 0.2163 0.4510 0.0523 1.2290 1.3935 1.4468 1.4286 1.0375
3-Dehydroxycarnitine 0.3192 0.2485 0.2189 0.2042 0.5238 0.7116 0.7112 0.5257 0.6727 0.4843 0.6747 0.4548 1.2929 1.2907 1.2912 1.5310 1.7469 1.9117 2.2240 1.6650 1.5600 2.0377 2.0673 1.7878 1.0535 0.8437 1.4547 1.0825 1.5470 1.4153 1.9697 1.9391 1.8228 0.9229 1.3134 1.4687 0.2484 0.4657 0.3727 0.3312 0.2816 0.3471 0.4101 0.6267 0.5549 0.5661 0.6342 0.3620 1.7849 2.2973 2.3329 2.2951 1.0949
3-Hydroxyhexobarbital 3.6666 3.5043 3.4696 3.3787 0.6811 0.9813 0.4643 0.8916 0.9943 1.1404 0.8576 0.8749 0.4232 0.3594 0.3501 0.4291 0.4811 0.4568 0.2964 0.5443 0.5072 0.6005 0.5338 0.5990 0.7264 0.5030 0.3573 0.5010 0.4365 0.4603 0.8144 0.6840 0.7455 0.8593 0.6329 0.6675 1.0017 1.0731 1.1835 1.1836 1.2724 1.5435 1.7652 3.1569 0.5090 0.6403 0.9147 0.5511 1.1512 2.0654 2.0914 2.0779 1.2225
3-Ketosphingosine 1.0275 0.5628 0.7997 0.4946 0.6210 0.9720 0.5597 0.8615 0.8989 0.6003 1.0920 0.6712 1.2334 0.8990 0.9876 1.0360 1.5332 1.1254 1.5006 1.5075 1.0349 1.2862 1.3298 1.7879 1.0181 0.7231 1.4118 1.3246 1.5362 0.9844 1.2775 1.2542 1.5640 1.1146 1.1973 1.2584 0.4661 0.8248 0.6198 0.3535 0.3870 0.6349 0.7373 1.1137 0.7394 1.0834 0.6961 0.8605 0.8516 0.9837 1.0966 1.3334 1.1315
3-Methylbutanoic acid 0.1980 0.1670 0.2200 0.2668 0.3942 0.6161 0.6336 0.6810 0.4383 0.3909 0.6292 0.4789 1.1000 1.3252 2.0150 2.3844 1.4155 1.4602 2.8340 2.2490 1.1222 1.4330 1.1247 1.6582 1.0141 1.0638 2.2731 1.7147 1.0077 1.5034 2.1159 2.1190 0.9350 0.8305 1.2712 1.1213 0.3020 0.3274 0.5590 0.4138 0.3921 0.5781 0.8914 1.3532 0.3859 0.6996 0.7742 0.5001 0.6849 0.7506 0.9065 0.9854 1.2521
3-Methylcrotonylglycine 0.2718 0.2659 0.2081 0.1683 0.6312 0.7528 0.5360 0.6598 0.8432 0.6412 0.7099 0.4368 1.2988 1.1173 1.3397 1.3970 1.7185 1.5905 1.8531 1.5521 1.5274 1.6240 1.9040 1.5730 1.2289 0.8671 1.2284 1.1533 1.4100 1.4349 1.7716 1.6680 1.6906 0.8868 1.3326 1.5299 0.2427 0.5205 0.3812 0.2056 0.2415 0.5795 0.5440 0.8020 0.2342 0.7225 0.6327 0.4723 0.8475 1.7836 1.9498 1.7574 1.1588
3-Methylguanine 0.3455 0.3751 0.3526 0.2990 0.6912 0.9526 0.7475 0.7791 0.5449 0.5718 0.6045 0.5035 1.7255 1.7056 2.5226 1.9755 1.2736 1.5739 2.3007 1.8335 1.2201 2.0587 1.3295 1.5011 1.1076 1.2775 1.6373 1.7737 1.2380 1.3356 1.3903 1.5921 0.7052 0.6682 0.8959 0.7794 0.6728 0.3644 0.6812 0.6514 0.8027 0.8445 1.4077 1.3717 0.7791 0.6771 0.7983 0.4013 0.9980 1.0704 1.0951 1.0307 1.0938
3-nitro-2-pentanol NA NA 0.1404 0.1545 NA NA 0.7311 0.7215 NA NA 1.5730 1.3433 NA NA 0.7045 0.6832 NA NA 0.5338 1.0040 NA NA 1.6789 1.3391 NA NA 0.9121 0.7054 NA NA 0.9051 0.9489 NA NA 1.5641 1.1845 NA NA 0.6999 0.5346 NA NA 0.5657 0.7008 NA NA 1.4363 1.8467 0.9453 1.6977 1.4706 1.6587 0.6165
3-Phospho-D-glycerate 0.4305 0.9608 1.0572 1.7556 0.9181 0.9832 1.4831 0.9813 0.7880 0.6353 0.8606 0.7493 1.0920 1.9072 1.1528 1.8572 0.6486 0.8485 1.2157 0.9097 0.4673 0.6995 0.5564 0.6927 0.4175 0.9882 0.5816 1.4466 1.2453 0.6395 0.7632 1.2036 1.3684 0.6568 0.6349 0.6119 0.4178 0.5378 0.5553 0.9396 0.9656 1.0774 0.4084 1.4062 1.9197 1.1852 1.9776 0.6110 0.8293 1.6326 1.6468 1.5415 1.7096
3-(Pyrazol-1-yl)-L-alanine 0.2376 0.2167 NA NA 0.7008 0.8934 0.2789 0.3336 0.5637 0.4418 1.0967 0.5311 1.5525 0.3264 1.0538 0.4900 1.3976 1.1785 0.8584 1.3623 0.9202 1.6431 1.0967 1.3012 0.9642 0.4822 0.8965 0.7688 1.1844 0.5964 1.0308 1.1602 1.1250 0.4034 0.5883 1.3498 NA 0.3310 0.2200 NA 0.4174 0.3163 0.3802 0.2820 NA 0.6522 0.4253 NA 2.0149 3.8383 3.9931 3.7291 1.3754
(3R,7R)-1,3,7-Octanetriol 0.7136 0.4366 0.5999 0.2815 0.5912 0.6243 0.5442 0.5561 0.4495 0.3152 0.6162 0.4471 1.1764 1.0182 1.6347 2.0246 1.7545 1.5322 1.9708 2.4579 0.9528 0.7324 1.3318 1.3057 1.3031 1.0319 2.4700 2.3100 0.9564 0.9752 2.0459 1.2611 0.6647 0.3666 0.4701 0.6345 0.3276 0.5302 0.4056 0.3485 0.4011 0.4943 0.6526 0.8041 NA 0.2070 0.3726 0.1266 0.9130 2.2210 2.2122 2.2849 1.1415
(3R)-hydroxy-N-acetyl-(L)-arginine 0.6130 0.4306 0.3999 0.3206 0.6415 0.9280 0.5601 0.5646 0.7535 0.5636 0.7654 0.5728 1.2991 1.2221 1.3587 1.2000 1.4962 1.4911 1.7999 1.6136 1.4130 1.6656 1.6636 1.3933 1.4193 0.8548 1.3707 1.1652 1.4226 1.4813 1.2622 1.8082 1.3844 0.9795 1.2760 1.2064 0.4280 0.5629 0.4911 0.3356 0.5885 0.5252 0.6183 0.7823 0.5739 0.9582 0.7470 0.6499 0.8821 1.0007 1.2750 1.1681 1.0529
3-Ureidoisobutyrate 0.5119 0.3241 0.3021 0.0951 0.6047 0.8663 0.4775 0.5443 0.8029 0.4848 0.7396 0.4200 1.1608 0.8561 0.8716 1.0456 1.9416 1.4063 1.3589 1.5801 1.9116 1.6319 1.7646 1.4594 1.2876 0.8515 1.0870 1.0744 1.7054 1.3574 1.8229 1.6600 1.6541 0.9579 1.0217 1.2607 0.2934 0.5368 0.4341 0.1931 0.3889 0.5009 0.5931 0.5221 0.3368 0.8102 0.6009 0.4970 1.2533 2.0691 2.0398 2.1091 0.9192
4-(1-methyl-2-pyrrolidinyl)-3-oxobutanoate 1.1417 0.6319 0.9435 NA 1.2063 1.0795 1.0751 1.1344 1.0922 1.3485 0.9284 0.4965 0.4304 1.0069 1.1717 1.2703 1.5495 1.1299 0.9966 0.9319 1.7901 0.9228 0.6449 1.1643 1.2185 1.4836 0.5964 1.6158 1.1079 1.1910 1.2158 1.2848 0.4359 1.0388 0.4374 0.4860 1.7167 1.4553 0.6836 0.4566 1.2075 1.3800 0.9849 0.8591 1.0583 1.1237 1.0293 0.7797 0.4255 NA NA NA 0.3789
4,6,8-Trimethyl-2E,4E,6E,8E-undecatetraene 1.1437 1.2596 1.1983 1.6072 0.2983 0.7340 NA 0.6528 0.4844 0.2546 0.6268 0.4279 1.2905 1.0174 0.5765 0.7934 0.6019 0.1471 1.0637 0.9359 0.3897 0.7391 0.8381 1.5648 0.7637 0.9819 0.7525 1.1035 0.5693 0.3760 0.4573 0.6965 0.8066 0.6785 0.6228 1.1887 0.3546 0.6072 0.8684 0.6181 0.9512 0.9934 1.0794 4.6707 NA 0.2923 0.5986 NA 1.3269 2.4459 2.9992 3.0969 1.4538
4,8-Dimethyl-1,3E,7-nonatriene 0.3336 0.3293 0.2833 0.1282 0.5272 0.6516 0.4294 0.3478 0.5017 0.4641 0.5674 0.3464 1.6065 0.9518 1.3402 1.3319 1.9269 1.5437 1.4679 1.6524 0.9432 1.6364 1.4362 1.2287 1.3041 0.8256 1.2314 1.1177 1.5088 1.1968 1.7755 1.2204 1.2083 0.6144 0.7676 0.7688 0.2494 0.4323 0.3962 0.2721 0.2733 0.3875 0.5180 0.5149 0.2405 0.5488 0.6512 0.2948 1.6996 3.3824 3.8208 3.7794 0.9790
4-Aminobutanoate 0.0022 0.3399 0.0219 1.3789 0.3814 0.2102 1.7962 0.2355 0.4881 0.9065 0.1141 1.0950 3.4183 2.8523 2.2541 2.4372 0.0488 1.1236 4.1679 0.5112 0.1827 2.6173 0.5468 0.2807 0.5318 1.0344 2.9807 0.7516 0.0798 0.7053 0.9176 2.1786 0.1901 0.3270 0.1513 0.2586 0.2478 0.0461 0.7420 2.3436 0.3037 0.1221 0.1714 1.2838 2.7602 0.1910 1.2298 0.0701 0.8021 1.3860 1.3611 1.4584 0.9634
4-amino-MX 0.0770 0.0777 0.0664 0.0350 0.6934 0.8322 0.5106 0.4962 1.0721 0.7812 0.9018 0.5531 1.2069 0.6136 0.7007 0.9940 1.8081 1.6830 1.0629 1.2546 2.8957 3.4089 2.6645 2.4031 0.6575 0.5109 0.8082 0.5501 0.9337 1.0864 1.3335 0.9768 2.1172 1.3469 1.9477 1.5636 0.2452 0.3742 0.2540 0.1565 0.2294 0.2135 0.2121 0.1744 0.4548 1.0552 0.7860 0.6033 1.2772 1.9248 1.7657 1.6149 1.0336
4-Carboxymethyl-3-methylbut-2-en-1,4-olide 0.3891 0.2813 0.3572 0.1340 0.5990 0.7585 0.4046 0.4746 0.5783 0.4878 0.6071 0.4428 1.2824 1.1362 1.3873 1.4774 1.9166 1.5774 1.2567 1.5508 1.5214 1.6276 1.3774 1.2937 1.4469 1.0006 1.3124 1.1057 1.3732 1.2051 1.3289 1.2214 1.3215 0.8878 1.1939 0.9838 0.3142 0.4991 0.3701 0.2139 0.5239 0.6138 0.7616 0.5999 0.2916 0.9211 0.6494 0.5690 1.2759 2.1510 2.3963 2.3981 1.1511
4-Guanidinobutanoate 0.1211 0.1178 0.1179 0.0615 0.5025 0.7904 0.5666 0.4353 0.5392 0.3885 0.5038 0.2276 2.1054 1.4226 2.0775 2.2082 2.7522 2.7029 2.8315 2.2994 2.1482 2.5422 1.7312 1.2136 1.2555 0.8126 1.8190 1.1779 1.0481 0.9971 1.6252 1.2674 1.1892 0.6363 0.9257 0.7278 0.2652 0.3498 0.3345 0.2667 0.2689 0.2558 0.4410 0.3099 0.1994 0.3867 0.3147 0.2082 1.5418 2.4914 2.5490 2.5097 1.1577
4-Imidazolone-5-propanoate 0.8989 0.5148 0.5212 0.2749 0.5493 0.8439 0.3460 0.5882 0.7797 0.5120 0.8613 0.5034 1.1260 0.9747 1.0481 1.3084 1.7949 1.5651 1.4642 1.5988 1.3205 1.2357 1.6381 1.6407 1.1629 0.8551 1.1225 1.1177 1.1571 0.9817 1.3777 1.2659 1.5317 1.0068 1.2062 1.5141 0.3661 0.6900 0.4445 0.2431 0.4642 0.6523 0.6790 0.7864 0.3355 0.5175 0.6288 0.3503 1.4431 1.9792 2.0352 2.1122 1.0645
4-[N-γ-L-glutamyl-)-p-(β-aminoethyl)phenoxy-methyl]-2-(aminomethyl)furan 0.4765 0.4412 0.4378 0.2749 0.7076 0.9273 0.5777 0.6667 0.7735 0.6734 0.6910 0.4522 1.1120 1.0548 1.1939 1.3759 1.7324 1.5044 1.7435 1.5784 1.5992 1.5062 1.5190 1.7043 1.1875 0.9577 1.1996 1.2375 1.5579 1.2111 1.7692 1.5887 1.5639 0.8588 1.2982 1.1604 0.4502 0.5547 0.4791 0.2883 0.4765 0.5513 0.7411 0.7313 0.5221 0.8221 0.6749 0.5493 0.9837 1.1908 1.1684 1.3751 1.1271
4-Oxoproline NA NA NA NA 1.0824 0.8614 1.1021 0.6819 1.9595 1.6962 1.0660 2.7259 NA NA 0.2608 0.2035 0.3382 0.8942 1.2457 1.0207 0.6002 2.2591 1.5264 1.0662 0.1160 0.2294 NA 0.2429 0.4290 1.4613 1.3119 2.0412 1.4120 1.3475 0.9792 1.3421 0.0850 0.0821 0.1900 NA NA NA NA NA 1.2432 0.6790 2.1973 0.9560 0.4560 1.1700 1.0535 1.2888 1.0394
4-(Trimethylammonio)but-2-enoate 0.1860 NA NA NA 0.6323 0.4595 0.2642 0.5464 0.7575 0.2852 0.7100 0.4256 0.5724 0.7215 0.6205 0.9665 1.3715 1.7178 1.5522 1.5709 1.3996 1.8779 1.3720 1.5903 0.7861 0.4791 1.2507 0.8869 1.3439 1.9823 2.9947 2.1223 2.0137 1.1740 1.8257 1.4225 NA 0.3710 0.1475 NA NA 0.3186 0.4710 0.4701 NA 0.6829 0.5294 0.1922 0.6837 1.1782 1.1350 1.3479 0.5908
5,6-Dihydrothymine 0.5005 0.3776 0.3686 0.4252 0.8863 1.0151 0.7417 0.9843 1.0856 1.3573 0.9147 0.9195 1.1973 1.3593 1.2638 1.1111 0.9723 1.2470 1.8853 1.4333 1.0062 1.6195 1.2418 1.2981 1.8630 0.7013 1.3392 0.6500 1.4192 1.6923 1.8137 1.6752 1.4541 1.4997 1.6418 1.2524 0.6413 0.6475 0.7673 0.7035 0.3617 0.3264 0.6489 1.2297 0.7447 1.2842 1.3338 1.3126 1.1979 1.0909 1.0215 1.0546 1.2065
5-exo-Hydroxy-1,2-campholide 0.4919 0.2063 0.2930 0.2060 0.3342 0.7811 0.2898 0.4171 0.5977 0.3092 0.8322 0.3738 1.0235 0.6698 0.7744 0.9676 1.7038 1.2612 1.5064 1.9910 1.3986 1.2352 1.6954 2.3268 0.9477 0.7154 0.8929 0.9128 1.1208 1.0418 1.5570 1.2471 1.5004 1.0205 1.3098 1.4603 0.1697 0.5389 0.3342 0.2315 0.1763 0.4525 0.5621 0.9934 0.2900 0.7859 0.6375 0.6470 1.4760 2.7784 2.9597 2.9224 1.6321
5-Guanidino-2-oxopentanoate NA NA NA NA 0.2324 0.5212 0.2396 0.1945 0.2927 0.4227 0.5385 0.3578 1.3430 0.7807 1.6287 1.7669 1.5481 1.3552 2.3670 1.7795 1.5069 2.0046 2.1225 1.6351 0.8546 0.6513 1.5904 1.2317 0.8848 0.7046 1.4514 1.5087 0.9597 0.6048 0.9294 0.9290 NA 0.3894 0.3187 0.1471 0.1486 0.2265 0.3810 0.1849 0.1905 0.3822 0.6293 0.2218 1.8382 2.2056 2.3661 2.3345 1.0976
5-Methylcytidine 0.4044 0.7187 0.3217 0.3740 0.7291 0.8369 0.4411 0.4464 1.0069 0.9907 1.2245 1.0292 1.1512 0.5953 0.6607 0.8348 1.0578 0.8770 0.5144 0.9573 0.3888 1.6765 1.3310 1.1235 1.0963 0.4890 1.1282 0.7531 1.1209 1.0155 0.9744 0.9739 1.4849 1.1830 0.8624 1.2081 0.4216 0.6656 0.8173 0.6221 0.9453 0.7648 0.9067 0.8862 NA 0.9443 1.0696 0.7950 1.7387 2.7445 2.9124 2.6623 1.1220
5-Methyltetrahydropteroyltri-L-glutamate 0.3898 0.3014 0.4252 0.3714 0.5435 0.9238 0.6158 0.9414 0.7113 1.0259 0.7368 0.6749 1.0208 0.9206 1.0878 1.1661 1.2131 0.9874 1.6222 1.3986 1.0191 1.6361 1.2223 1.4386 1.2660 0.8672 1.1124 0.9074 1.0856 1.1113 1.6065 1.1598 1.2802 1.2073 1.5290 1.0689 0.5549 0.6392 0.8114 0.6459 0.5550 0.5321 0.5849 0.7788 0.5569 0.9422 1.1222 1.0309 1.0996 2.2524 2.0548 2.0428 1.1294
5^-methylthioformycin 0.2715 0.2655 0.2416 0.1913 0.6304 0.7519 0.5353 0.6590 0.8422 0.6403 0.7090 0.4362 1.2972 1.1159 1.3380 1.3979 1.7163 1.5885 1.8508 1.5197 1.5254 1.6219 1.9016 1.7036 1.1127 0.8660 1.2717 1.0783 1.3297 1.4104 1.7693 1.5509 1.6884 0.8530 1.3310 1.5280 0.2844 0.5198 0.3807 0.2171 0.3378 0.5787 0.5633 0.8010 0.4116 0.7216 0.6319 0.4717 0.7355 1.6273 2.0725 1.8457 1.1573
5-Oxo-1,2-campholide NA NA NA NA NA NA NA NA NA NA NA NA 0.7966 0.9863 0.4223 NA 1.4148 0.9062 0.9512 0.9776 NA 1.6436 0.8274 1.1621 0.3431 NA 0.2875 0.5955 0.9690 0.6140 0.9395 1.0093 0.9183 NA 0.8922 0.9862 NA NA NA NA NA NA NA NA NA NA 0.4921 NA NA 1.9975 1.6310 2.2368 NA
6-deoxy-5-ketofructose-1-phosphate 0.8324 1.0052 0.7545 1.4820 0.6624 0.9119 0.7057 0.8238 1.4029 1.3766 1.0535 1.3582 1.5440 1.2009 0.5665 1.0081 0.4132 0.6054 1.0690 0.5838 0.6477 1.8074 1.4191 1.0681 0.7530 0.9277 0.9479 0.9183 0.6533 0.7410 0.9402 1.1618 1.5213 1.5591 1.2362 1.5460 0.5449 0.7947 0.9789 1.1138 0.5297 0.7262 0.6855 2.0940 2.0926 0.7555 1.5246 0.5370 0.3666 1.2524 1.3986 1.3139 1.0525
(6R)-6-(L-Erythro-1,2-Dihydroxypropyl)-5,6,7,8-tetrahydro-4a-hydroxypterin 2.3546 1.2604 1.3755 0.6907 0.6691 1.0728 0.2723 0.9595 0.7902 0.5563 1.0006 0.6836 0.8068 0.7510 0.8822 1.4099 1.1001 0.7760 0.8955 1.0052 0.9217 0.7603 0.9414 1.1292 1.4060 1.1038 1.0847 1.8430 1.1321 0.8036 0.8977 0.9194 1.0808 0.9255 0.9323 1.2696 0.6680 1.3833 0.7459 0.4111 1.1088 1.4090 1.4324 1.8726 0.3575 0.7566 0.7602 0.3349 0.8570 1.2420 0.9618 1.0750 1.1603
7,8-Diaminononanoate 1.2576 0.5380 0.7947 0.5092 0.3966 0.8695 0.1892 0.5948 0.5152 0.2517 0.8025 0.3473 0.8495 0.5800 0.5679 0.9408 1.4931 0.6567 0.7920 1.2600 0.9591 0.7090 1.0068 1.9944 1.2104 0.8685 0.7976 1.2986 1.2870 0.5828 1.0003 0.8513 1.4286 0.6660 0.8243 1.3910 0.4091 0.9895 0.4403 0.3184 0.4553 0.9999 1.0565 2.0635 NA 0.4905 0.4805 0.3283 4.4867 2.2861 1.9896 2.7607 1.3631
7-Aminomethyl-7-carbaguanine 0.2239 0.1306 0.3361 0.1887 0.1666 0.2127 1.1537 1.5314 0.1634 0.1535 3.0926 2.5446 0.2793 0.2963 1.3513 1.2467 0.4126 0.3394 0.9224 1.7352 0.2403 0.2504 2.8143 2.2559 0.4450 0.2644 1.5906 1.4940 0.2764 0.2513 1.7813 1.6488 0.3319 0.2027 2.1864 2.0993 0.1118 0.1962 1.2886 0.9503 0.1493 0.2262 1.2177 1.2804 0.0655 0.1776 2.5587 3.1625 1.3734 1.5048 1.4833 1.4601 1.1797
7-Methylguanine 0.4691 0.3255 0.3335 0.4138 0.6892 1.1238 0.6971 1.1297 0.9415 1.1187 0.9876 0.9328 1.1160 1.5826 1.0268 0.9697 0.9851 1.0878 1.6880 1.2212 1.1449 1.4880 1.3351 1.3898 1.7534 1.0588 1.2695 0.8953 1.4131 1.2366 1.5030 1.5123 1.4808 1.8994 1.8449 1.4372 0.7520 0.7453 0.7773 0.7393 0.6516 0.5901 0.6663 0.9072 1.1164 1.4150 1.3598 1.4964 0.3318 1.1264 1.1911 1.3266 1.2534
8,8-Dimethyl-2-phenyl-4H,8H-benzo[1,2-b:3,4-b^]dipyran-4-one 0.4005 0.3396 0.2668 0.1301 0.6378 0.8783 0.4708 0.6166 0.6578 0.4761 0.6652 0.5176 1.0842 0.9788 1.1079 1.2370 1.6072 1.4325 1.1523 1.7055 1.1313 1.1350 1.4533 1.3057 1.4177 0.9138 1.4066 1.2768 1.7184 1.6110 1.8677 1.8205 1.5042 0.7734 1.0916 1.2601 0.3072 0.5516 0.3575 0.2299 0.4318 0.5194 0.7491 0.6384 0.2964 0.5710 0.5649 0.4284 1.3875 2.3560 2.3462 2.2454 0.9696
8-Oxodeoxycoformycin 0.7918 0.4413 0.5548 0.3140 0.6688 0.9588 0.5066 0.7721 0.9297 0.5879 0.7011 0.5685 1.1268 1.0778 1.0601 1.2954 1.8332 1.8767 1.5601 1.4487 1.8066 1.4516 1.3979 1.4958 1.2767 0.9502 1.2653 1.3753 1.3934 1.5126 1.7414 1.4838 1.6626 0.9631 1.1965 1.2607 0.4409 0.6928 0.4623 0.3272 0.6049 0.6839 0.6636 0.7936 0.4920 0.8814 0.6567 0.6415 0.8078 1.1848 0.9681 1.2010 1.1169
9-mercaptodethiobiotin 0.0890 0.0431 0.0590 0.0333 0.6975 0.7494 0.7951 0.6382 0.4583 0.3119 0.6434 0.2934 1.3229 1.2678 1.6731 2.0711 2.7066 2.7444 2.0202 2.0499 1.6147 1.1388 1.4410 1.0769 1.4093 1.0847 1.7316 1.5702 1.7760 1.8127 2.3579 1.8774 1.1647 0.5590 1.1878 0.9471 0.2447 0.3362 0.3575 0.2414 0.1706 0.1938 0.2533 0.0908 0.2719 0.3598 0.5043 0.4052 1.1218 1.3109 1.3105 1.3242 1.0856
9-methylthiononylhydroximate 0.4913 0.7515 0.6612 0.7311 0.6741 0.9012 1.0590 0.9256 0.7652 0.6493 0.5698 0.5724 1.6248 1.7157 1.5833 1.2057 0.9275 1.2492 1.4085 1.3521 0.9689 1.8113 1.1359 1.2265 1.1068 1.0207 1.3398 1.2656 0.8834 1.2869 1.2404 1.3563 0.6945 0.7445 0.8467 0.7651 0.5753 0.6085 0.8500 0.6998 0.8347 0.7179 0.7329 1.8642 0.9479 0.7401 1.2627 0.4319 1.0004 0.9674 1.0747 1.2282 0.9516
(Ac)2-L-Lys-D-Ala 0.2630 0.2478 0.2663 0.1122 0.3624 0.4751 0.2738 0.3401 0.4135 0.3175 0.4872 0.3065 2.0321 1.4107 1.8871 1.9008 1.7394 1.6154 1.2381 1.5429 1.1192 1.3481 1.3036 1.2018 1.5163 1.0803 1.5324 1.3331 1.3309 1.0782 1.2812 1.1025 1.2554 0.6527 0.9173 1.0129 0.2104 0.3317 0.3370 0.1788 0.5114 0.7288 0.9077 0.8681 0.2355 0.7030 0.5551 0.4644 1.5325 2.6829 2.6623 2.6411 1.1517
Acetyl-CoA 1.3249 0.6091 0.7533 0.3980 0.6022 0.9210 0.4611 0.7833 0.8135 0.5565 0.9369 0.6048 1.4056 1.0467 1.1659 1.3136 1.1759 0.7697 1.4408 1.2015 0.7874 0.7866 1.0923 1.3041 1.7599 1.2644 1.7080 1.7650 1.1782 0.9030 1.0737 1.2228 1.4278 1.0049 0.9002 1.3078 0.5473 1.0753 0.6792 0.5329 0.5662 0.8854 0.9728 0.9151 0.3886 0.5011 0.6930 0.4316 1.4292 1.3934 1.4181 1.5571 1.2435
Acrylamide-acrylic acid resin 0.1675 0.0535 0.1186 NA 0.1370 0.6360 0.4020 0.2505 0.3453 0.1102 0.1971 0.0977 1.2639 1.3880 1.2861 1.0007 2.3225 2.4052 1.9696 2.0903 2.7231 1.2077 2.5393 1.7530 1.5906 0.8477 1.4089 0.7800 2.6023 2.0817 2.9589 1.6040 0.8554 0.4498 0.5707 1.5732 NA 0.1324 0.0763 NA 0.2227 0.1614 0.3447 0.2628 0.1258 0.3491 0.2973 0.1378 1.3870 1.0037 1.0223 1.1852 1.5033
Adenine NA NA NA NA 0.7344 0.8130 0.3710 0.3769 0.7185 0.3262 0.7497 0.3332 0.8730 0.7253 1.0289 1.1712 1.7547 1.4791 1.6394 1.5746 1.3797 1.3662 1.6406 1.4392 1.0507 0.7986 1.1416 1.0474 1.3035 1.0892 1.8229 1.8159 1.1742 0.6102 0.8679 1.3171 NA 0.2572 NA NA 0.3275 0.2788 0.3850 0.5367 NA 0.4408 0.6444 0.4267 1.2547 1.7668 1.5106 1.6054 1.0313
Adenosine 0.1559 0.1370 0.2389 0.1651 0.5153 0.8616 0.7533 0.7152 0.4680 0.4573 0.4936 0.3327 1.6413 1.6861 2.7736 1.8871 1.1609 1.5691 2.3360 1.9017 1.0603 2.0265 1.0825 1.3817 1.1144 1.1840 1.7767 1.5043 1.0930 1.2450 1.4573 1.6161 0.6155 0.5152 0.7996 0.6571 0.6201 0.3741 0.6292 0.5772 0.7876 0.7829 1.1797 1.4926 0.6738 0.5371 0.6550 0.2656 0.9787 1.0600 1.0871 0.9436 0.9768
ADP 0.0469 0.7161 0.1918 4.6642 0.8104 0.4185 2.7657 0.4786 0.6676 1.1575 0.2762 1.6205 2.8753 3.1855 1.5472 1.2160 0.0736 0.8377 2.7960 0.3334 0.0835 0.9653 0.2842 0.2061 0.4335 0.7836 1.8616 0.5231 0.1168 0.3851 0.5654 1.2898 0.1844 0.2506 0.1311 0.1792 0.3236 0.0629 0.5474 2.7184 0.6432 0.2924 0.2919 4.1085 4.1131 0.3295 1.2182 0.1791 0.8098 0.7558 0.9410 0.8652 0.8588
ADP ribose 1^^,2^^-phosphate 0.9959 0.5909 0.6356 0.2187 0.5522 0.7358 0.3025 0.5716 0.7060 0.4669 0.7957 0.5368 1.2101 0.8590 1.1518 1.2275 1.3330 0.8971 1.0179 1.4579 0.8795 0.7948 1.1914 1.4885 1.4444 1.0927 1.2840 1.2105 0.8962 0.7170 1.1029 1.0079 1.1242 0.9791 0.7905 1.1179 0.3770 0.7765 0.5153 0.2866 0.5666 0.7990 0.8149 0.9824 0.2921 0.4865 0.4887 0.3663 1.3571 3.4332 3.5836 3.4202 1.0695
Ala-Ala-Asn-Pro 0.4604 0.5471 0.3988 0.3562 0.7837 0.9435 0.5319 0.7340 0.6727 0.5653 0.7223 0.5429 1.1171 0.9237 1.2756 1.5368 1.2935 1.2530 1.3750 1.6935 1.0807 0.9810 1.2079 1.3474 1.3494 0.9432 1.1097 1.2650 1.1053 0.9141 1.4794 1.4227 1.1542 0.8190 0.8583 1.0609 0.4404 0.7097 0.5335 0.3664 0.4824 0.6561 0.8429 0.9090 0.4116 0.7570 0.6972 0.5495 1.0731 2.6298 2.4077 2.5508 1.1578
Ala-Ala-Asp-Pro NA 0.3038 NA 0.2500 NA 0.4055 NA NA NA 0.2722 0.3055 0.2514 1.8086 0.9618 1.0997 0.7640 NA NA 0.7496 0.6569 NA 1.3299 0.4445 0.6054 0.4734 0.4221 0.6180 0.5709 NA NA NA 0.6406 0.4685 NA NA NA NA NA 0.4031 NA NA 0.2797 0.3486 0.4986 NA NA 0.6338 NA 2.5473 3.9371 3.9352 4.2174 0.7969
Ala-Ala-Cys-Cys 0.5683 0.9935 0.7983 3.1278 0.8896 0.8257 1.1356 0.7555 0.5699 1.2757 0.6004 1.8547 1.5950 1.4359 1.5660 1.0030 0.3146 1.0698 1.0058 0.9432 0.5663 1.0140 0.5707 1.1881 1.4197 0.9940 1.1563 1.1098 0.4821 0.8761 1.2569 1.1409 1.2447 0.6549 1.0985 0.8178 1.5995 0.5621 1.4934 1.1603 1.4419 0.7586 1.1179 2.7202 1.7730 0.5680 0.6984 0.6963 0.7015 1.0566 0.9907 1.0392 1.0842
Ala-Ala-Cys-Pro 0.3800 0.2641 0.2980 0.2973 0.3136 0.6981 0.2391 0.4674 0.5771 0.3751 0.8919 0.5767 1.4696 0.7342 1.1037 1.4980 1.2794 1.0961 1.8264 1.7897 0.7318 1.2556 1.4006 1.7829 1.0763 0.8320 1.2466 1.3163 0.8353 0.8253 1.1176 1.2445 1.0765 0.7106 0.9098 1.3238 0.2711 0.3584 0.5321 0.3305 0.2251 0.4762 0.4341 0.9412 0.2631 0.5225 0.6793 0.3330 3.8604 2.3769 2.8441 3.2295 1.4616
Ala-Ala-Pro 0.3272 0.2628 0.2171 0.1562 0.5540 0.8158 0.4601 0.4989 0.7561 0.5691 0.7354 0.4708 1.2152 1.0468 1.1096 1.1450 1.8542 1.5888 1.6059 1.6991 1.4240 1.8512 1.6953 1.5139 0.9999 0.7272 1.1065 0.9127 1.3350 1.3079 1.5327 1.3982 1.6171 0.9912 1.3408 1.3145 0.2811 0.5014 0.3634 0.2386 0.3012 0.3936 0.4853 0.5292 0.4524 0.7742 0.7519 0.5410 1.7559 2.2019 2.0118 2.1397 1.1209
Ala-Asn-Pro-Pro 1.3519 1.1770 1.3038 0.6781 0.9314 1.1188 0.7743 1.3650 0.8097 0.9094 1.0624 0.8441 0.5297 0.6511 0.6983 0.7575 1.2596 0.6914 0.4351 1.1717 0.9461 0.7989 0.9070 1.1045 0.8423 0.8696 0.6054 0.8462 1.1931 1.0632 0.7291 0.6141 1.2616 1.0094 1.3744 1.3528 1.0240 1.1834 0.9244 0.6197 1.1061 1.3583 1.1954 1.0114 0.5821 1.5308 0.9952 1.3055 1.2524 0.9770 0.9963 1.3945 1.1188
Ala-Asn-Ser 0.9716 0.6844 0.6497 0.5060 0.4911 0.7456 0.2150 0.4666 0.5899 0.3845 0.6504 0.4799 1.0057 0.7039 0.9410 1.0856 1.1356 0.8479 0.7061 1.2161 0.7891 1.3624 1.1248 1.5274 0.9183 0.8892 1.2712 1.4555 0.8468 0.5548 1.0631 0.8410 1.2189 0.6903 0.5431 1.0268 0.3197 0.7726 0.5576 0.3178 0.4451 0.7422 0.7212 0.9638 0.2903 0.2824 0.7245 0.4028 0.9365 4.4687 5.0250 4.3410 1.0896
Ala-Cys-Arg-His 0.4718 0.2405 0.3643 NA 0.6795 1.0858 0.7148 0.5733 0.7060 0.5810 0.9589 0.5147 0.8230 0.8731 1.0868 1.0438 1.8720 1.8909 1.3242 1.6933 1.7510 1.6233 1.9225 1.5778 0.9444 0.8203 1.3540 1.0762 1.5871 1.4237 2.0416 1.2977 1.4349 1.2105 1.3825 1.2838 0.3864 0.5555 0.4307 0.1326 0.4360 0.4739 0.7520 0.4511 0.4002 1.2103 0.8788 0.5964 0.8082 1.0100 1.1628 1.1106 0.9759
Ala-Glu-Asp-Ile 0.4055 0.4815 0.3256 0.7106 0.7976 1.1013 1.0632 0.9295 0.7095 1.2736 0.7404 0.8408 1.7003 1.4658 0.9297 0.9932 0.6933 0.7500 1.8951 0.9393 0.6649 1.5673 0.9946 0.9173 1.0254 0.7525 1.2047 0.7620 0.7862 1.0536 1.2413 1.4595 0.8373 1.0535 0.9438 0.9482 0.6622 0.6288 1.0298 1.1116 0.6497 0.6328 0.7038 1.7093 1.1978 0.8566 1.4924 0.8032 1.6997 1.3558 1.5657 1.5268 1.3764
Ala-Gly-Pro 0.4999 0.3011 0.3006 0.1122 0.5758 0.7816 0.4099 0.5363 0.7460 0.4484 0.7286 0.4567 1.1496 0.9788 1.1671 1.2711 2.0007 1.9509 1.4129 1.9448 1.7232 1.5202 1.8916 1.7308 1.3905 0.9432 1.2913 1.1503 1.7258 1.4584 1.8738 1.6335 1.6492 0.8648 1.2861 1.3894 0.2868 0.5793 0.3671 0.1833 0.4259 0.5370 0.6829 0.5810 0.3039 0.6896 0.6202 0.4103 1.2628 1.8703 1.9052 1.9420 1.0550
Ala-Gly-Pro-Pro 0.0746 0.0441 0.0481 0.0289 0.2992 0.4420 0.3911 0.2822 0.5301 0.4726 0.5134 0.2679 1.3620 1.0253 1.1084 1.4475 1.5802 2.1901 1.7888 1.4933 1.7058 1.9474 1.5775 1.5427 0.8180 0.5972 1.2607 0.9040 1.4534 1.4939 2.4727 1.8261 2.2428 1.4982 2.3646 1.9596 0.1800 0.2828 0.3131 0.1808 0.3472 0.3509 0.5277 0.3437 0.7298 1.2390 1.1857 0.8303 1.0349 1.0870 1.1075 1.1094 1.0956
Ala-Gly-Pro-Ser 0.2089 0.4851 0.2533 0.4667 0.5171 0.6843 0.5934 0.5080 0.6047 0.5215 0.4911 0.4659 1.7854 1.5561 1.4102 1.0044 0.6703 1.0812 1.4513 1.0982 0.5397 1.9316 0.9984 0.9336 0.8010 0.8080 1.0457 0.8161 0.6237 0.9493 0.8359 1.3013 0.6715 0.5045 0.6754 0.7793 0.2864 0.3077 0.6236 0.5029 0.4966 0.4478 0.5620 1.3809 0.6365 0.3633 0.7882 0.2146 2.0734 4.2212 4.3916 4.5832 1.0480
Ala-Leu-Gly-Pro NA 0.2829 0.0205 1.1540 0.7921 0.4979 2.8399 0.4974 0.9812 1.6929 0.2854 1.9721 1.8725 1.7965 1.6613 1.5919 0.0814 1.1741 3.3706 0.5858 0.3141 3.1116 0.8768 0.4692 0.3548 0.7513 1.7515 0.4843 0.0772 0.6670 0.9226 1.8185 0.2416 0.4340 0.2191 0.3099 0.3505 0.0684 1.1587 2.4971 0.3861 0.1671 0.2143 1.1522 2.3789 0.2130 1.3536 0.1486 0.7545 1.2825 1.5030 1.4419 0.9758
Ala-Leu-Trp-Asp NA NA NA NA NA NA NA NA 0.6617 0.9281 0.5963 0.5331 NA NA NA NA 0.9328 0.8408 0.7115 0.8183 0.9952 1.7229 0.9789 1.1330 0.6170 NA NA NA 1.0464 1.3602 1.4731 1.5082 1.5220 1.3873 1.4534 1.6540 NA NA NA NA NA NA NA NA NA 1.1075 1.1529 1.2529 1.0190 0.3954 0.4095 0.4308 0.3578
Ala-Pro 0.5582 0.4473 0.4687 0.2291 0.6814 0.9531 0.5542 0.6409 0.7412 0.5475 0.7079 0.4911 1.0949 1.0124 1.1801 1.1835 1.8020 1.6657 1.5986 1.6072 1.4419 1.6470 1.6368 1.5076 1.2677 0.9424 1.2303 1.1150 1.5582 1.3648 1.7584 1.6029 1.4441 1.0699 1.3348 1.3193 0.3657 0.6195 0.4425 0.2672 0.3465 0.5680 0.6042 0.8713 0.5123 0.8445 0.7637 0.5180 0.6774 1.4363 1.3424 1.3104 1.1042
Ala-Pro-Pro 1.1421 1.5627 1.1346 1.2389 0.8963 1.7964 1.3473 1.2614 1.1362 1.4890 0.9367 1.6410 0.3602 0.5624 0.5534 0.4723 0.5948 0.7442 NA 0.3288 0.6673 0.7701 1.0575 1.0851 0.7373 0.8677 0.4394 0.5746 0.3587 0.4097 NA 0.3696 1.0333 1.1947 0.9606 1.6408 1.0684 1.7455 1.2338 1.4948 0.7317 0.6413 0.5402 1.0510 1.2761 0.7849 1.5641 1.8775 0.9042 1.0496 1.0834 1.1122 1.4760
Ala-Pro-Ser 1.0904 0.5739 0.6723 0.0913 0.6167 0.8644 0.4981 0.8346 0.7318 0.5180 0.9019 0.6039 1.4809 1.3271 1.2844 1.6453 1.1479 0.9381 1.5582 1.4376 0.7404 0.7795 1.1002 1.2808 1.8300 1.1934 2.0613 1.7064 1.3083 1.0364 1.3042 1.4362 1.3010 0.8965 0.8484 1.3356 0.4367 1.0223 0.6724 0.5169 0.4685 0.7453 0.9362 0.7821 0.2840 0.4146 0.6264 0.3928 1.5070 1.3025 1.2761 1.5128 1.1277
Ala-Val-Asp-Ser 0.4059 0.2698 0.3373 0.2124 0.6884 0.7687 0.5565 0.6997 0.7992 0.5837 0.7859 0.5130 1.0440 1.0030 1.3284 1.3236 1.8781 2.0446 1.7503 1.8156 1.7830 1.6818 1.9055 1.7107 1.0624 0.7510 1.2711 1.1963 1.4004 1.2861 1.6094 1.4489 1.4323 1.0001 1.3348 1.4250 0.3536 0.6081 0.4107 0.3240 0.4807 0.4777 0.5796 0.7461 0.4486 0.7999 0.8216 0.5309 0.9332 1.0545 1.0736 1.1386 1.1120
Ala-Val-Gly-His NA 0.5703 0.0515 1.9619 0.9669 0.5219 3.1894 0.6041 1.3211 2.4076 0.4111 3.0737 1.6572 1.3563 1.0835 1.0749 0.0479 0.8053 2.4017 0.4755 0.2740 2.8004 0.8608 0.4282 0.2832 0.5981 1.4528 0.4200 0.0968 0.6876 0.9128 1.8005 0.2917 0.5806 0.3449 0.4107 0.4486 0.0896 1.2566 3.1046 0.2770 0.1244 0.1535 0.9094 1.9813 0.2624 1.3895 0.1520 0.6990 1.3264 1.2942 1.3978 0.9089
Ala-Val-Gly-Pro 1.2662 0.8729 0.7210 0.3993 0.6003 0.7943 0.4506 0.6901 1.0612 0.7224 1.1183 0.8107 0.7407 0.4272 0.4359 0.4118 0.8278 0.7753 0.7833 0.8655 1.0178 1.2768 1.5380 1.5378 0.6635 0.5725 0.5571 0.6814 1.0379 0.6132 0.9983 0.9681 2.2608 1.2977 1.3683 1.8070 0.3659 1.0074 0.6047 0.3297 0.4935 0.6177 0.5949 0.7803 0.3333 0.6904 0.9520 0.6460 1.5623 3.1232 3.4020 3.6321 0.8936
Ala-Val-Val-Pro 0.2898 1.6633 0.4097 6.4222 1.6033 1.0040 1.1499 0.3915 1.8408 1.8705 0.2512 0.9286 2.2028 2.2640 0.3965 0.3571 0.3236 1.1330 0.4802 NA 0.3164 0.8814 0.1381 NA 0.3854 1.8660 0.6861 0.2999 0.4659 0.4970 0.1104 0.4592 0.3737 0.3278 0.0904 0.0965 1.1659 0.5131 0.7475 1.9707 3.5145 1.0968 0.5253 2.0030 2.1643 0.6015 0.3649 0.1196 0.9874 0.7560 0.7032 0.8256 0.9645
alpha,beta-Dihydroxyethyl-TPP 1.0938 1.0981 1.1037 1.0635 1.0230 1.2244 0.6978 1.4528 0.8350 1.0075 1.0667 1.0764 1.1590 1.1503 1.2419 1.1734 0.7397 0.9143 0.9015 0.8065 0.7369 0.8426 0.7893 0.7711 1.3793 1.1142 1.1002 1.0748 0.9335 0.8919 0.9034 1.0072 0.9624 0.8468 0.9211 0.8795 0.9002 0.9486 0.8354 0.8790 1.5096 1.6329 1.7625 1.8432 0.8354 1.3694 1.0376 1.3412 0.8880 1.3713 1.2623 1.1812 1.1511
alpha-Butyl-omega-hydroxypoly(oxyethylene) poly(oxypropylene) 1.7868 1.1332 1.2406 0.9162 0.7176 1.1992 0.3952 1.0859 1.2614 0.7455 1.2967 1.0249 0.6196 0.5854 0.3616 0.6853 1.0705 0.3453 0.8261 0.8431 0.7746 0.8817 1.5074 1.7029 1.0726 0.8682 0.6596 1.0373 1.0511 0.6332 0.7026 0.9696 2.4239 1.7826 1.6821 2.0953 0.6829 1.4496 0.8015 0.5977 0.6435 0.9096 0.9319 2.0883 0.7993 0.9170 1.2837 0.7152 0.7798 1.2128 1.4092 1.3992 1.1899
alpha-D-Galactosyl-N-acetyllactosamine 2.2126 1.1650 1.3726 0.9960 0.3236 0.8420 0.1551 0.5950 0.5180 0.2546 0.8370 0.5180 1.7065 0.5189 0.7168 1.2810 1.3458 0.8064 1.2292 0.9737 1.1678 0.9102 1.0135 1.9320 1.2491 0.8472 1.1452 1.3807 0.9437 0.4928 0.8242 0.8763 1.1715 0.4401 0.6628 0.9984 0.4775 1.1483 0.8250 0.4426 0.7589 1.3775 1.7814 1.8585 NA 0.3297 0.5218 0.2203 NA 1.9445 1.7669 2.0906 1.0332
alpha-Irone 0.2684 0.9050 0.3964 NA 0.7663 0.7350 0.7962 0.7344 0.8009 0.3838 0.3764 NA 1.8899 1.7961 2.2328 2.0147 0.4577 1.3798 2.1502 1.2357 0.3035 0.8872 1.0482 0.7139 1.6302 2.0948 2.3798 1.5921 0.5492 1.1049 1.6401 2.1137 0.5639 0.9220 0.6911 0.3882 0.7681 0.5029 0.8064 0.7649 0.5269 0.3233 0.7086 1.1399 NA 0.2353 1.1424 NA 0.4412 NA NA NA 0.6977
alpha-Methylstyrene NA NA NA NA NA NA NA 0.7797 NA NA NA 0.7084 NA NA NA NA NA NA NA 0.4207 NA 0.6067 NA NA NA NA NA NA NA NA NA NA 0.3873 NA NA NA 0.4390 0.2252 NA NA NA NA NA 0.9552 NA NA NA 0.3030 NA NA NA NA NA
alpha-Ribazole 0.2547 1.3374 0.4692 0.4393 0.9427 0.6352 0.6305 0.8609 0.5027 1.1044 0.6314 0.3260 1.1432 1.1193 0.5623 0.7238 0.6190 0.5486 1.6517 1.0311 1.0000 0.2614 1.3356 1.2095 0.0868 1.7976 1.9430 0.7338 0.5157 2.0303 1.8234 1.2915 1.2575 1.5310 0.5849 1.3110 0.4296 0.4944 1.3916 2.8767 1.3209 0.3993 0.2341 1.9564 0.5565 0.5513 1.1315 0.9031 0.9035 1.2941 1.4961 1.4189 1.3957
Ammodendrine 0.4478 0.2663 0.3550 0.1649 0.4259 0.8219 0.5687 0.6304 0.9058 0.5146 0.8325 0.4887 1.0873 0.8840 1.1056 1.2216 1.8521 1.7208 1.6913 1.8790 1.7978 1.5356 1.9071 1.8284 1.3940 0.8858 1.2898 1.0742 1.5288 NA 1.6833 1.5220 1.6939 1.0305 1.3871 1.4519 0.3153 0.4987 0.4282 0.2349 0.3748 0.4565 0.5577 0.5174 0.4554 0.8088 0.7242 0.5263 1.2442 1.2696 1.2601 1.3275 1.1263
AMP 0.1635 0.1288 0.2085 0.1408 0.1692 0.2260 0.9627 0.4100 0.1781 0.1449 0.8640 0.8302 0.6889 0.5240 0.9426 1.2165 1.0756 1.0558 1.8645 2.0853 1.4363 1.6166 2.6911 2.8152 0.5305 0.3253 1.5193 0.5780 0.7430 0.7863 2.7968 1.9860 0.7094 0.2950 2.9265 2.4477 0.0816 0.1691 0.6908 0.1015 0.1176 0.1285 0.2756 0.6455 0.1132 0.1891 2.0264 1.4597 1.5190 2.6403 2.3005 2.3613 1.0762
Apigenin NA NA NA NA 0.1504 0.2518 NA NA 0.2441 NA 0.3893 NA 1.0487 0.4889 0.9564 0.9262 1.4899 1.4104 1.6814 1.2223 1.3809 1.7201 1.9077 1.7668 0.8523 0.6513 0.9460 0.6858 1.0795 0.8416 1.6808 1.3121 0.9837 0.4911 0.9551 0.8740 NA NA NA NA 0.1894 0.2158 0.2445 NA NA 0.2740 0.3496 0.1560 1.3174 2.4980 2.3784 2.1945 0.7939
Apigenin 7-O-beta-D-glucoside 1.3936 1.1797 0.7253 0.1988 0.3356 0.4998 NA 0.3299 0.8005 0.5672 1.5516 0.7664 0.0823 NA NA 0.1023 0.6614 0.2381 0.1491 0.3280 0.6783 1.4201 1.3320 1.7047 0.3623 0.2305 0.0870 0.2153 0.6686 0.4558 0.3325 0.2979 3.6377 1.8696 1.1563 2.3203 0.2036 1.2740 0.4140 0.0585 0.3566 0.9167 0.7208 0.4042 0.1539 0.5431 1.0590 0.3728 2.4262 4.6098 4.2804 4.5506 0.9774
Apigeninidin 0.6495 0.4283 0.3974 0.2262 0.6219 0.9194 0.4440 0.5649 0.9745 0.6604 1.0256 0.6468 0.9618 0.8421 0.7664 0.7406 1.4913 1.3804 1.4549 1.6020 1.8225 2.1184 2.2409 2.1708 0.7027 0.6740 1.0836 0.8897 1.6997 1.3554 1.9129 1.6265 2.2488 1.4517 1.9407 1.9989 0.3119 0.7032 0.4213 0.1995 0.2615 0.3643 0.4363 0.5343 0.4553 0.8111 0.8863 0.6027 1.8002 2.0659 1.9622 2.1495 1.2956
Asn-Glu-Ile-Pro 0.3874 NA NA NA 0.3827 0.8048 0.3975 0.7351 0.9520 0.5176 0.9723 0.5028 1.0294 1.0015 1.2614 1.2199 1.4067 1.5481 1.8724 1.4118 1.5895 1.5866 1.7934 1.7005 1.0409 0.7673 1.0774 0.9788 1.2152 1.1717 2.1485 1.4479 1.3264 0.9371 1.3489 1.4360 0.2717 0.5671 0.3537 0.2804 0.3454 0.3908 0.6590 0.8774 0.3220 0.9366 1.0459 0.5567 0.9753 1.2962 1.0975 1.0514 1.0039
Asn-Leu-Pro-Pro 0.4860 1.0195 0.6883 0.5676 0.6039 0.6234 0.3452 0.6108 0.5738 0.5336 0.5109 1.0421 1.3430 1.2841 1.3648 1.3529 0.5870 0.8061 1.5999 0.9907 1.4420 3.8665 2.5198 2.9696 0.8033 0.5447 0.8910 0.7955 0.7097 1.0970 1.3112 2.3535 0.5519 0.7828 1.1063 1.0743 0.3430 0.6381 0.6512 0.3777 0.4496 0.5004 0.5617 1.7609 0.5068 0.7348 1.8861 0.5277 0.8274 1.2331 1.4204 0.8193 0.9801
Asn-Pro 0.3705 0.3112 0.2658 0.1822 0.5506 0.8737 0.4651 0.5529 0.7484 0.5906 0.8777 0.5082 1.3867 1.1016 1.0900 1.1278 1.5140 1.3360 1.7248 0.4305 1.3161 2.0558 1.7168 1.7331 1.0887 0.7549 1.0858 1.0115 1.3272 1.2106 1.4667 1.2794 1.8477 1.0969 1.2785 1.5595 0.3194 0.5439 0.4763 0.2495 0.3034 0.4888 0.4812 0.6726 0.4084 0.7857 0.8280 0.5372 1.5934 3.5600 3.4321 3.1747 1.2885
Asn-Thr-Pro-Pro NA 0.1822 0.2005 NA 0.5154 0.7046 0.8756 0.6699 0.6822 0.5595 0.7243 0.2675 1.3153 1.1871 1.8903 1.7237 2.0531 1.6176 2.1544 1.8397 1.5944 1.6646 1.8153 1.4617 1.1929 0.9290 1.6469 1.3410 1.2491 1.0871 1.7902 1.5069 1.1454 0.6208 1.2492 1.0448 0.2558 0.3322 0.4768 0.2600 0.2821 0.4934 0.6952 0.4794 0.2617 0.6360 0.5260 0.3786 0.8939 1.1407 1.2564 1.0556 1.0741
Asp-Arg 0.2700 0.0947 0.3131 0.0469 0.4389 0.8911 0.4333 0.6087 0.4297 0.2224 0.8191 0.1965 0.6493 0.8242 1.0403 0.9533 2.9933 2.8848 1.8477 2.4128 2.3049 1.5114 1.8586 1.6479 1.0935 0.7635 1.0238 1.1887 2.0655 1.5413 1.8322 1.6243 1.5368 0.8797 1.2079 1.2726 0.2478 0.5270 0.2604 0.1647 0.3317 0.6109 0.6439 0.4309 0.2039 1.2463 0.3190 0.6067 1.0571 1.1585 1.1612 1.2486 1.0584
Aspartyl-L-proline 0.5306 0.4053 0.3912 0.2999 0.6447 0.9108 0.4617 0.6919 0.7557 0.5612 0.7042 0.5284 1.0997 1.3623 0.9694 1.2466 1.5947 1.5313 2.3896 1.6301 1.6321 1.3993 1.5510 1.6338 1.1019 0.8715 1.1604 1.3546 1.2707 1.4400 1.8614 1.6816 1.3485 0.9962 1.2309 1.3941 0.3807 0.5448 0.4813 0.3243 0.3553 0.5499 0.5892 0.9810 0.4739 0.8621 0.7304 0.5573 0.5510 1.1554 1.2795 1.3534 1.1935
Asp-Cys-Cys-Ser 0.4295 0.4818 0.5449 0.4813 0.3799 0.7401 0.6317 0.7752 0.7886 0.6482 0.4254 0.6559 1.1103 1.0138 1.4371 1.1400 1.5996 1.2605 1.7333 1.4233 1.1351 1.6832 1.1755 1.1458 1.1127 0.9853 1.5018 1.2986 1.0375 1.2241 1.5755 1.3147 1.0591 0.7074 0.7800 0.9943 0.5217 0.4661 0.6045 0.5244 0.9564 1.0325 1.2324 1.2158 0.6425 0.7183 0.7975 0.5518 2.2968 2.1975 1.8996 2.1762 1.3094
Asp-Ile-Ile-Trp 0.5085 1.6151 0.6572 2.5253 0.4383 0.7635 0.5317 0.6324 0.8728 0.6385 0.5462 0.6004 2.0048 1.6054 1.6008 1.8347 0.3963 0.9980 1.9310 0.7258 0.3267 1.5090 0.7143 0.8699 0.9006 1.2539 1.4217 1.1311 0.4562 0.6931 0.7656 1.2251 0.6675 0.8135 0.6143 0.8978 0.5148 0.4342 1.1323 1.2393 0.7935 0.7944 0.8072 2.9342 1.3331 0.2474 1.1095 0.1657 0.8445 1.4204 1.0754 1.1743 1.2927
Asp-Leu-Gln-Pro 0.6341 0.4169 0.3632 0.1971 0.5830 0.7461 0.6573 0.7612 0.6420 0.4331 0.7832 0.6205 1.1840 0.8646 1.4070 2.0236 1.2889 1.2835 1.2456 1.9576 0.8134 0.8472 1.2634 1.3873 1.6960 1.2471 2.3181 1.8699 1.3291 1.3056 2.1091 2.0813 1.0553 0.8113 0.8097 1.3087 0.3443 0.5747 0.5212 0.3062 0.3926 0.6282 1.0062 0.6891 0.1391 0.4336 0.6688 0.3678 1.1508 1.3412 1.4513 1.5603 1.0792
Asp-Leu-Pro-Pro 0.1298 0.1181 0.1312 0.0501 0.3510 0.5019 0.2626 0.3203 0.3332 0.2382 0.5037 0.2522 1.1909 0.8927 1.3797 1.2476 2.1160 1.7344 1.4060 1.7507 1.6012 1.4885 1.8550 1.5410 1.2905 0.8570 1.3167 1.2329 1.5108 1.1037 1.6914 1.2772 1.1506 0.5176 1.0026 0.9809 0.1814 0.2756 0.2726 0.1284 0.3749 0.4904 0.6732 0.5311 0.1782 0.5764 0.4374 0.3831 1.6166 3.5645 3.5942 3.3675 1.0266
ATP 0.4782 0.2810 0.5335 0.1594 0.3031 0.6013 0.3857 0.3850 0.5967 0.3013 0.5141 0.1936 1.7772 1.4895 1.7619 1.3911 1.8021 2.3651 1.9590 1.5209 1.9852 1.4845 2.2755 1.5675 1.4885 1.0967 1.2461 1.0302 1.1850 1.1810 1.4719 1.2129 0.7773 0.4738 0.6043 0.9414 0.1337 0.2464 0.1616 0.1359 0.4950 0.5564 0.6405 0.5038 0.2731 0.7668 0.5426 0.3646 1.3268 2.0966 2.3948 2.2423 1.2977
Balofloxacin 0.2585 0.1252 0.2992 0.1075 0.3674 0.3839 0.5529 0.6175 0.4693 0.4317 0.7809 0.4529 0.7247 0.6938 0.9612 0.8936 2.0309 2.1062 2.7600 2.2824 2.1985 1.9985 2.7509 2.2090 0.6209 0.4895 0.8970 0.7878 1.3330 1.2691 2.5864 2.3938 1.3604 0.9047 1.5395 1.5650 0.1236 0.1693 0.3677 0.1786 0.1315 0.2601 0.4042 0.4759 0.3690 0.6513 1.0220 0.7963 1.0698 1.1465 1.3159 1.1200 1.1945
Bendiocarb 0.4488 0.2783 0.3049 NA 0.4772 0.7769 0.7889 0.5177 0.6754 0.7975 0.6190 0.9464 1.2911 0.8057 1.3090 1.4869 0.9173 1.3085 2.8845 1.3499 1.0217 3.0767 1.4152 1.3304 0.7906 0.5997 1.6303 1.0534 0.7858 0.8157 0.9377 1.8195 1.2581 0.8590 1.1010 1.2305 0.1638 0.4805 0.5693 0.2679 NA 0.3848 0.4731 0.8652 0.3492 0.5935 0.9534 0.3960 0.6648 2.0691 1.7828 2.0966 1.1804
beta-D-Glucosyloxydestruxin B 0.3618 0.2680 0.2272 0.0837 0.4247 0.6541 0.3989 0.4017 0.6496 0.4267 0.6139 0.4134 1.3685 0.9715 1.0954 1.2610 1.6247 1.9220 1.3399 1.6170 1.7943 1.8058 1.5662 1.6733 1.2051 0.7909 1.2057 0.8740 1.6685 1.2930 1.7322 1.5320 1.7640 0.8239 1.1200 1.2669 0.2271 0.4598 0.3195 0.1858 0.3372 0.3966 0.4713 0.5251 0.3717 0.6947 0.6064 0.3836 1.2091 2.5382 2.5597 2.5172 0.9576
Betaine 0.5857 0.8292 0.7127 0.9535 0.7023 0.8130 0.7274 0.8018 0.7092 0.8046 0.8693 0.9039 0.9582 0.7720 0.7698 0.8235 0.6839 0.6432 0.7557 0.7892 0.5696 0.9989 0.8447 1.0173 0.7659 0.7130 0.8276 0.8801 0.6743 0.7638 0.7229 0.8790 0.9028 0.8213 0.8538 1.0045 0.6836 0.7143 0.9516 0.8516 0.7042 0.8488 0.7814 1.3479 0.6277 0.7165 0.9993 0.7617 1.4295 3.7701 3.9373 3.8543 1.1725
Bicozamycin NA 0.6249 0.0699 6.1402 0.1143 0.0896 0.5446 0.0901 0.0986 0.3304 0.0595 0.3630 4.8590 7.2118 1.5421 1.8097 0.0661 0.4867 4.4017 0.2598 0.1728 0.9359 0.1885 0.2314 0.3539 0.6523 1.8529 0.3204 0.0485 0.3772 0.2934 0.6542 0.1087 0.1804 0.0781 0.1322 0.1413 0.0709 0.4488 1.9873 0.3738 0.1589 0.2290 1.9123 4.1051 0.1816 0.2815 0.0504 1.1942 1.4030 1.3438 1.3751 1.0003
Brunfelsamidine 2.4523 1.3400 1.2671 0.5234 0.3967 1.1882 0.4007 0.5790 1.3067 0.4883 1.1179 0.7509 0.9321 0.5834 0.4800 0.5683 0.9362 0.5131 0.5444 0.4540 0.6703 0.8211 1.2158 1.4122 1.2570 0.6005 0.4961 1.6166 0.7462 0.5391 1.5015 0.5395 2.1019 1.3447 1.3672 1.3663 0.9796 2.0030 0.9696 0.3894 0.8329 1.2379 1.0241 1.9760 0.4889 1.1297 1.0499 0.7787 1.1273 1.0439 1.2112 1.0880 1.2510
butyrylcholine 0.6769 2.1211 0.8164 2.5287 0.4784 0.6361 0.4647 0.6966 0.6690 0.6007 0.4938 0.6358 1.9465 1.1105 1.5710 1.5333 0.2831 0.6571 1.4921 0.6262 0.2873 1.1807 0.6442 0.9148 0.8874 1.3130 1.6071 1.5044 0.4318 0.6465 0.6654 1.3752 0.6220 0.6229 0.5315 0.8219 0.5392 0.5598 1.4422 1.3487 0.8724 0.9254 0.9863 4.2383 0.7210 0.1986 0.9592 0.1560 0.6555 1.2965 1.4942 1.3509 1.1618
Calystegine C1 0.4675 0.3845 NA NA NA 0.4610 NA NA NA NA 0.6283 0.4427 0.7489 NA 1.6706 0.7357 0.9091 0.8825 NA 0.9743 NA NA 0.8134 1.6529 1.7272 0.7657 0.9880 0.8391 0.7487 0.9285 0.7828 0.7380 1.0072 0.5347 NA 0.8230 NA 0.5092 0.5210 NA NA NA 0.5878 NA NA NA 0.5402 NA 1.2224 2.9289 3.0554 2.4250 0.5560
(-)-Camphor 0.7152 0.9483 1.0332 0.6208 1.3040 1.4341 1.3494 1.3139 1.2914 1.2775 1.3014 1.2329 0.8432 0.7848 0.9504 1.0469 0.9245 1.0733 0.6606 0.9882 0.9962 0.8142 1.0909 0.9576 1.2191 1.2087 1.0150 1.2026 0.9429 0.9761 1.0226 0.8932 0.9697 1.1013 1.0482 1.1054 1.1443 1.2449 1.2967 1.2357 1.0287 0.9700 1.0054 0.9887 0.6136 1.2278 1.0843 1.3297 1.0407 1.0932 1.0344 1.0448 1.0385
Caproylcholine 0.1174 0.2555 0.1285 0.2965 0.7447 1.2054 1.0325 0.9253 0.9425 1.1551 0.5629 0.5684 1.4453 1.7583 1.2816 1.1724 0.7945 1.3326 2.0230 1.0561 1.0037 1.4150 1.0071 1.0988 1.7126 1.0637 1.4474 1.2517 0.9073 1.1539 1.2781 1.5901 1.1391 1.1801 1.2451 1.0169 0.4527 0.4465 0.5688 0.6137 0.4572 0.3466 0.6940 1.7775 1.0970 1.0849 0.9858 0.6893 1.0814 1.0684 1.1158 1.1248 1.0865
CAPS 0.2605 0.2383 0.2782 0.1408 0.3707 0.4743 0.3154 0.3646 0.4068 0.3218 0.4910 0.3041 1.8043 1.5320 1.9416 2.0036 1.6039 1.6389 1.3447 1.5449 1.1648 1.3275 1.2588 1.2111 1.3609 1.0720 1.6239 1.4085 1.3604 1.1117 1.3822 1.2041 1.1234 0.6896 0.8976 1.0208 0.2401 0.3689 0.3386 0.2002 0.5425 0.7512 0.9205 0.9967 0.2605 0.6618 0.5813 0.4619 1.6929 2.3923 2.4094 2.5143 1.0696
carbidopa 0.1325 0.0695 0.1112 NA 0.4759 0.7093 0.5898 0.4634 0.7298 0.5141 0.8354 0.4741 0.7751 0.6601 0.9580 1.0192 1.9010 2.2558 2.1069 1.7534 2.6564 2.4179 2.8333 2.6029 0.7837 0.5739 0.9408 0.7577 1.5256 1.3631 1.9678 1.7071 1.7170 1.0352 1.6514 1.6531 0.2089 0.2767 0.2667 0.1797 0.2054 0.2623 0.3013 0.2841 0.3905 0.7197 0.5647 0.4529 0.9319 0.9866 1.0782 0.9811 1.1880
Cardiospermin NA 0.5405 NA 4.0069 0.2395 0.1738 1.3035 0.2462 0.4765 0.7501 NA 1.0917 3.0775 3.3926 1.9854 1.7539 NA 0.8589 2.6907 0.2676 NA 0.9934 0.1827 0.4121 0.4703 1.2670 2.1469 0.4133 NA 0.3564 0.3356 1.5578 0.1879 0.3123 NA NA 0.1837 NA 0.5651 2.2553 0.5241 0.2295 0.3191 2.7745 2.7694 0.4661 1.1729 NA 0.4509 0.8724 1.3882 0.8679 0.9563
Casimiroedine 0.1219 0.0702 0.1415 0.0773 0.2673 0.4371 0.4756 0.3597 0.4204 0.2724 0.3644 0.2588 0.9363 1.7149 1.0393 0.7587 1.0046 2.4993 0.8946 0.7399 4.1785 1.5298 2.8707 1.4083 0.8075 0.3905 0.6813 0.8777 1.4792 0.8273 1.4515 0.7081 0.7642 0.5588 0.9386 1.4554 0.1862 0.3703 0.2059 0.1309 0.1335 0.1064 0.2263 0.2676 0.2415 0.5988 0.5427 0.3831 2.1394 4.2929 3.9635 4.0065 1.4227
CDP 1.1887 0.9857 1.2504 0.8009 0.9013 1.0768 0.9764 1.1181 0.6734 1.0424 1.3007 1.0030 0.8491 0.7154 0.7615 0.9164 0.9155 0.8213 0.9439 0.7905 0.9354 0.9564 0.9149 1.2845 1.1481 0.7551 0.8180 1.0070 1.1091 0.7818 0.9680 0.7460 0.9973 1.1977 1.2082 1.2048 1.1348 1.3709 0.8531 0.9987 1.1090 1.0767 0.9231 1.6812 1.1220 1.0029 0.9151 1.0619 0.8027 1.7761 1.8392 2.1513 1.5395
CDP-DG(16:0/18:2(9Z,12Z)) 0.4343 0.3842 0.4454 0.1407 0.7236 1.0989 0.6206 0.6986 0.6631 0.6147 0.7980 0.4507 1.2152 0.9938 1.3308 1.2617 1.4196 1.3228 1.2664 1.6148 1.0381 1.0436 1.4466 1.1124 1.5008 1.2779 1.8364 1.4703 1.7635 1.4108 2.2805 2.3156 1.0596 0.6279 0.9477 1.2723 0.3183 0.6110 0.4045 0.2824 0.5140 0.5845 0.8437 0.8276 0.2767 0.4842 0.5915 0.4548 0.8955 1.5569 1.6466 1.7384 1.0676
CDP-N-dimethylethanolamine 0.4789 0.2613 0.5754 0.1784 0.3209 0.7661 0.4087 0.4978 0.4592 0.2241 0.4456 0.2236 1.0710 1.1483 1.3831 1.1919 2.6710 2.9919 1.4377 1.9822 1.9553 1.3944 1.7636 1.4156 1.2571 1.0620 1.2531 1.1613 2.0196 1.7579 1.8821 1.5523 1.1340 0.5537 0.7905 1.0688 0.2280 0.3469 0.2615 0.2319 0.3170 0.4364 0.6612 0.4623 0.1835 0.7067 0.3747 0.3740 1.2262 1.7788 1.7952 1.7266 1.1503
CHAPS 0.8163 0.7705 0.6674 0.7087 0.6238 1.0331 0.3689 0.9206 1.0131 0.7351 1.1392 0.7072 0.9286 0.7005 0.6084 0.8280 1.1250 0.8173 1.3024 1.2271 0.8637 1.4539 1.4270 1.8167 0.8496 0.9606 0.8244 0.9081 1.2571 0.8709 1.1418 1.2194 1.5436 1.4337 1.4367 1.8654 0.4592 0.7879 0.7139 0.5508 0.3546 0.7692 0.7620 1.1165 0.5773 0.8988 1.0684 0.6121 0.8671 2.0230 1.9741 2.2895 1.2397
Choline 0.7907 0.4419 0.6237 0.3363 0.6760 0.8621 0.5188 0.5725 0.6028 0.5039 0.6693 0.6197 1.0271 0.9348 1.2643 1.5418 1.0554 1.1153 0.7629 1.6218 0.6720 0.6687 1.1050 1.2549 1.6106 1.0685 1.7699 1.7034 1.3858 1.1919 1.4616 1.4573 1.1230 0.8944 1.0341 1.0466 0.4103 0.7291 0.5381 0.3336 0.4589 0.8251 1.0483 0.8148 0.3657 0.4741 0.6779 0.5951 2.2362 2.0867 2.1056 2.1568 1.1549
Choline phosphate 0.3063 1.3142 0.5378 0.2769 1.0311 0.6209 0.5717 1.1125 0.7118 0.8924 0.6691 0.3090 0.5590 0.6035 0.4420 0.7032 0.7006 0.4412 0.6501 1.2095 1.0344 0.2616 1.2650 1.4742 0.1075 1.7256 1.3953 0.9196 0.5668 2.0584 1.8294 1.2301 1.3024 1.6811 0.6420 1.6300 0.5704 0.6315 1.7476 2.5483 1.4290 0.5327 0.2895 2.7129 0.7280 0.5309 1.2675 1.4325 0.6793 1.2506 1.2707 1.3086 1.2836
Chrysophanol 8-O-beta-D-glucoside 0.2269 0.1273 0.2096 NA 0.4987 0.8403 0.4577 0.6489 0.7207 0.4118 0.8228 0.4598 0.8543 0.8325 0.8629 1.0302 2.1278 2.0495 1.2115 2.0653 2.3523 1.3245 2.2579 1.9220 1.0995 0.6754 1.0474 1.0036 2.1906 1.7726 2.1980 1.6850 1.5728 0.7595 1.2021 1.5956 0.2383 0.4926 0.3021 0.1317 0.2694 0.3902 0.6164 0.4578 0.3206 0.8079 0.6426 0.5875 1.1859 1.1244 1.0889 1.1390 1.0873
CL(1^-[18:2(9Z,12Z)/0:0],3^-[18:2(9Z,12Z)/0:0]) 1.3765 1.0482 0.8155 0.6033 0.4603 0.9105 0.2926 0.6982 0.7709 0.4485 0.7332 0.4923 0.8675 0.5577 0.8078 0.9812 1.0425 0.6908 0.8157 0.9127 0.8240 0.8206 1.0160 1.5798 1.0494 0.9138 0.9583 1.2816 0.9511 0.6530 0.8754 0.8841 1.2265 0.9018 0.8246 1.3106 0.3921 0.9535 0.6831 0.4161 0.5749 0.8438 0.9640 1.5384 0.3107 0.4565 0.7415 0.3677 1.2837 3.6048 3.6652 3.6955 1.1120
CMP 0.4887 0.8620 0.7093 1.2711 0.6131 0.7202 0.5204 0.6923 0.7477 0.6700 0.5343 0.5831 2.9406 1.4303 1.3196 1.3745 0.7387 1.0686 1.5123 1.4255 0.3137 1.7429 0.9094 1.1369 0.8278 0.9726 1.2618 1.0135 0.7079 0.6147 0.8331 1.1139 0.6618 0.8106 0.7429 0.9776 0.2742 0.4761 0.8721 0.9199 0.4254 0.7712 0.5989 2.8650 0.5450 0.2708 0.9284 0.2484 1.6307 2.2193 1.8373 1.9831 1.2713
CoA 0.8932 0.8588 0.6513 0.8186 0.8408 1.1757 0.5597 1.0210 0.9012 0.8174 1.1180 0.8929 1.0446 0.8830 1.0339 1.0274 1.3658 1.1099 1.1838 1.1380 1.3175 1.2919 1.4916 1.6222 0.9742 0.8932 1.0734 0.9795 1.2783 1.2002 1.2660 1.0919 1.4294 1.0773 1.0273 1.2090 0.8573 0.9411 0.8204 1.0229 0.9653 1.0327 0.8850 1.1792 0.5702 0.9626 1.2397 0.8424 1.1600 1.4673 1.4641 1.4674 1.2557
Coformycin 0.3967 0.2458 0.2967 0.1244 0.5543 0.7951 0.3561 0.4508 0.7279 0.4766 0.7769 0.4362 1.1254 1.0469 1.1807 1.1949 2.2895 1.9950 1.2578 1.5927 2.2531 1.5291 1.7109 1.5291 1.1851 0.7576 1.2085 1.0255 1.2679 0.9987 1.4152 1.2330 1.8380 0.7642 1.1961 1.2865 0.2660 0.5760 0.3486 0.1506 0.3851 0.4775 0.6306 0.5377 0.3205 0.7132 0.6373 0.4767 1.1920 2.2102 2.3076 2.2087 1.0430
Cohibin A NA 0.3838 NA 2.9900 0.3902 0.3716 2.2970 0.2900 0.4259 1.0864 0.1362 1.3364 2.9930 1.6752 2.1412 1.6231 NA 0.8605 2.6058 0.4670 0.1145 1.2685 0.4098 0.2460 0.4278 0.8954 1.8904 0.6265 NA 0.2664 0.5190 1.6481 NA 0.1681 0.0973 0.1128 0.3998 0.1958 0.9333 3.6528 0.4973 0.1137 0.3168 1.9481 2.3618 0.0947 0.4783 NA 0.7281 1.3797 1.1599 1.1058 0.8705
Cohibin C 0.2486 NA NA NA 0.6389 0.5317 0.3427 0.4481 0.7478 0.2673 0.7042 0.3438 0.9307 0.8644 1.0492 2.0313 2.1292 2.0043 1.4702 1.7747 0.9914 1.0094 1.0055 0.9642 1.3926 0.7581 1.8572 1.4747 1.1725 1.5514 2.3945 1.5868 1.2020 0.7641 0.8845 1.0166 NA 0.2499 0.3831 NA 0.2938 0.4317 0.7998 0.8978 NA 0.4131 0.3007 NA 0.8290 1.4815 1.2135 1.4626 0.6910
Cordycepin 0.2389 0.2167 0.2030 NA 0.4499 0.8060 NA 0.3093 0.4604 0.8249 1.2619 0.7008 1.6999 0.4053 1.1018 0.5342 1.6865 0.9211 1.2625 1.7373 1.0903 1.4613 1.2849 1.0585 1.3232 0.4489 0.8327 0.8110 1.3669 0.8641 1.1854 0.6388 1.1526 0.6377 0.5634 0.6114 0.2676 0.2318 0.2756 NA 0.3897 0.3733 0.3963 NA NA 0.6999 0.4275 NA 2.1921 3.3777 3.5251 3.2125 1.4795
CPPU 0.2029 0.1559 0.1575 0.0601 0.4420 0.6754 0.4353 0.4563 0.4802 0.3369 0.5364 0.3144 0.9621 0.8370 0.8901 1.0636 2.2584 2.1038 1.1040 2.4923 1.9385 1.3063 1.9705 1.7803 1.4883 0.7801 1.3171 1.1009 2.0928 1.5672 2.0293 1.7822 1.3353 0.5871 1.0322 1.2256 0.2157 0.3762 0.2453 0.1302 0.4146 0.4844 0.8130 0.5377 0.1869 0.3777 0.3884 0.4425 1.2913 2.2531 2.1677 2.3279 1.0488
CPX 0.3190 0.2386 0.2080 0.1382 0.4773 0.7113 0.4040 0.4928 0.6029 0.4998 0.5802 0.3822 1.0992 0.9193 1.0328 1.0857 1.6780 1.5442 1.4293 1.6082 1.3648 1.7791 1.6955 1.5543 0.9893 0.6800 1.1436 0.9035 1.2146 1.2461 1.6004 1.4453 1.5254 0.9465 1.1493 1.2958 0.2510 0.4236 0.3212 0.1932 0.3004 0.3951 0.4491 0.5599 0.3361 0.6262 0.6062 0.4377 1.5630 2.9994 3.4356 3.1628 0.9550
Creatine 0.7999 0.4258 0.5411 0.2115 0.5939 0.8618 0.4290 0.6026 0.7102 0.3560 0.7336 0.3875 1.0716 1.1579 1.4730 1.5186 1.8457 1.5778 1.5087 2.1129 1.5419 0.9715 1.8121 1.6080 1.7862 1.2024 1.6432 1.7930 1.7212 1.2455 1.9331 1.6766 1.3247 0.6923 0.8797 1.2015 0.3569 0.7323 0.5042 0.2230 0.5032 0.6084 0.7833 0.6928 0.2514 0.4487 0.5116 0.3158 1.3416 0.7887 0.8432 0.8919 1.2509
CTP 0.9176 0.4090 0.5053 0.2525 0.6788 0.9270 0.5308 0.7956 0.6933 0.5476 0.8975 0.6282 1.2094 0.8721 1.2651 1.4229 1.3553 1.2184 1.3106 1.7156 0.8667 0.7427 1.2337 1.3454 1.4413 1.2699 1.8098 1.7312 1.4627 1.2812 1.4548 1.5801 1.1313 0.8290 0.7654 1.0094 0.4441 0.8647 0.5784 0.3315 0.5273 0.6113 0.8937 0.7909 0.2706 0.3666 0.5766 0.4112 1.1063 1.9587 1.8934 2.1737 1.0938
Cuauhtemone 0.2080 0.1632 NA NA 0.9303 0.9533 0.7796 0.7112 1.0775 0.6628 0.6809 0.5538 1.1476 1.3281 1.2026 1.5345 1.6737 1.8262 1.4965 1.5377 1.6029 1.5314 1.3980 1.1334 1.1155 0.9625 1.3472 1.2880 1.3975 1.2605 1.3101 1.5555 1.3564 0.9948 1.1877 1.2556 0.3068 0.5111 0.5161 0.2861 0.7503 0.5483 0.6429 0.5739 0.6429 0.9652 0.7235 0.3138 0.9599 1.1706 1.0322 0.8783 1.0136
Cumene 0.3031 1.5152 0.4371 0.4004 1.2672 0.6192 0.8399 1.2693 0.6659 1.3252 0.6424 0.4382 1.6301 1.3076 0.4148 0.7026 0.6056 0.4923 1.9142 1.3752 1.4623 0.4238 1.6031 1.7090 0.1407 1.7565 1.7621 0.8748 0.5074 2.1053 2.1333 1.2874 1.4217 1.8618 0.5222 1.7026 0.5866 0.6300 1.6691 2.3753 1.5112 0.3131 0.2598 1.9628 1.2193 0.3391 1.2158 1.2219 0.6078 1.0839 1.1607 1.1667 1.1850
Cyclo(deltaAla-L-Val) 1.8743 1.1887 1.3014 0.9610 0.4128 0.7118 0.4110 0.6765 1.3232 0.7820 1.3602 1.0751 0.6499 0.6141 0.3793 0.7188 1.1230 0.6139 0.8666 0.8844 0.8125 0.8683 1.5812 1.7863 1.1251 0.9107 0.6919 1.0880 1.1025 0.8138 0.9864 1.0171 1.5301 1.3781 1.1594 1.4386 0.7164 1.5206 0.8407 0.6270 0.6750 0.9542 0.9775 2.1906 0.8384 0.9619 1.3465 0.7503 0.8179 1.2722 1.4782 1.4677 1.2482
Cys-Cys-Cys-Gly NA NA NA NA NA NA NA NA NA NA NA NA 0.2017 0.2641 NA NA 1.1261 2.1541 1.0815 1.0079 3.4700 1.2032 2.7416 1.9430 NA NA NA NA 0.7583 0.3260 0.6558 0.2261 0.2112 0.3946 0.5273 1.2523 NA NA NA NA NA NA NA NA NA NA NA NA NA 0.4935 0.5015 0.5608 0.8995
Cys-Gly 0.5777 0.3899 0.4837 0.2019 0.8186 1.0389 0.6235 0.9315 1.2260 0.6805 0.7915 0.5847 0.4747 1.1475 1.4536 1.0704 2.0874 2.0254 1.8699 1.9062 1.3223 1.0524 0.8617 1.7504 1.0844 0.9218 1.3078 0.7595 1.3111 1.6846 1.2409 1.0877 1.9010 1.3372 1.8169 1.5031 0.4746 0.6005 0.5092 0.3478 0.4890 0.5970 0.5837 0.7233 0.5635 0.5829 0.5083 0.4139 1.6418 1.5603 1.4958 1.4509 1.0239
Cys-Lys-Gly-His 0.4522 1.0327 0.6824 0.9774 0.7960 0.8325 1.0977 0.8794 0.8593 1.0891 0.9486 1.2185 1.1757 1.1000 1.0875 1.0649 0.6670 0.9220 1.0287 0.8362 0.6619 1.2496 0.9289 0.8405 1.0551 0.9448 1.3075 1.0124 0.6559 0.8817 0.9244 1.1183 0.7802 0.8764 0.9598 1.0205 0.8891 0.7212 1.1319 1.3608 0.8337 0.9330 0.9691 0.8624 0.7212 0.7414 1.0978 0.6920 0.5449 2.1183 2.2822 2.1744 0.9611
Cytidine 0.9719 1.1314 1.2341 1.4685 0.9794 0.9503 1.2750 1.0265 0.9663 1.1947 1.1541 1.3324 0.9893 1.0365 0.8746 1.0497 0.9403 0.7639 0.9094 0.8634 1.0150 0.9012 0.9333 0.9657 1.0403 1.1495 0.8923 1.2037 0.8751 0.9214 0.9480 1.0071 1.1171 1.2681 1.1944 1.0485 1.1828 1.1379 1.1878 1.3070 1.2039 1.2979 1.1806 1.1279 1.1810 1.0478 1.2784 1.3237 0.3584 1.0583 1.2648 1.4105 1.2567
D-4-Hydroxyphenylglycine 0.7329 0.8897 1.0405 0.5804 1.3253 1.2587 1.3676 1.2042 1.2908 1.1318 1.1078 1.2014 0.9897 0.7281 0.8141 0.9647 0.9896 1.0231 0.6682 1.0210 0.9395 0.8930 1.0576 0.9783 1.1666 1.0085 0.9927 1.2221 0.9450 1.0106 1.0325 0.9362 1.0750 1.1090 0.9938 1.1182 1.1630 1.2182 1.2139 1.3028 0.9326 0.9694 0.9140 1.0318 0.9183 1.2219 1.0743 1.2125 1.0067 1.0258 1.1347 1.0194 1.0299
dADP 0.3405 0.2962 0.4877 0.2143 0.6039 1.0247 0.5281 0.7695 0.6794 0.6172 0.8490 0.5553 0.9983 0.8906 1.0991 1.4619 1.1207 1.0015 0.7246 1.5147 0.7755 0.7585 1.2825 1.5039 1.3473 1.3561 1.5488 1.6173 1.3447 1.2790 1.5672 1.5323 1.1866 0.5163 1.0246 1.2872 0.3408 0.7604 0.4604 0.2305 0.3930 0.6212 1.0391 1.0070 0.2292 0.5839 0.6584 0.6463 2.3396 2.2041 2.0087 2.3556 1.4169
Daidzin 0.3307 0.3370 0.2670 0.2618 0.3558 0.7525 0.3168 0.4548 0.3739 0.2677 0.5285 0.3277 0.9640 0.9362 1.3580 1.2533 1.6991 1.0779 1.4246 1.4326 1.1936 1.3181 1.3445 1.6003 1.5966 1.2394 1.3907 1.7084 0.7194 0.7524 1.1342 1.0774 0.7264 0.6894 0.9092 1.1248 0.2387 0.2581 0.5316 0.5101 1.6160 1.5332 2.0037 1.5887 0.4175 0.9487 0.6728 0.7157 1.4813 2.2188 2.3335 2.3688 1.2131
D-Alanyl-D-alanine 0.8410 0.5186 0.6452 0.2945 0.6822 0.7628 0.4725 0.8367 0.7884 0.5477 0.9341 0.6163 1.0202 0.8082 1.0834 1.3431 1.0894 0.8225 1.1716 1.6027 0.7764 0.8235 1.2881 1.4508 1.7414 1.2884 1.7013 1.9086 1.1689 0.9636 1.4329 1.3902 1.2994 1.0255 0.9613 1.2499 0.3707 0.7454 0.4972 0.3025 0.3876 0.7679 0.8492 1.2072 0.3173 0.6289 0.8729 0.7248 1.9636 1.6197 1.4002 1.6841 1.3094
Damascenine 0.2312 0.5030 0.5968 0.2685 0.7055 0.7174 0.7880 0.6781 0.5695 0.8059 0.7533 0.5464 1.6557 1.5646 1.4909 1.3817 0.9176 1.2512 1.7033 1.2478 0.8959 2.1843 1.3953 1.1065 0.8738 0.8379 1.0178 0.8468 0.8031 1.2081 1.2257 1.4478 0.8785 0.6510 0.9636 0.8134 0.2894 0.2640 0.6489 0.2461 0.6225 0.5702 0.7553 1.1164 0.6841 0.6264 0.8043 0.2463 1.2032 2.8130 2.6477 2.8312 1.1049
Daminozide NA NA 0.2126 NA 0.8441 0.7371 0.6262 0.6326 1.2343 0.5670 0.9022 1.2943 NA NA NA NA 0.5490 1.2365 1.2261 1.3246 0.7524 1.6098 1.1666 1.1928 NA NA NA 0.4013 0.8031 1.5735 1.7178 2.2264 1.6142 2.2937 1.7839 1.3262 NA 0.2398 NA NA NA 0.2177 NA NA 1.0860 1.5087 1.8415 0.9066 0.5912 0.7116 0.6676 0.5336 0.6136
dAMP 0.0767 0.0783 0.0966 0.6848 0.1135 0.0631 0.1158 0.0670 0.0615 0.0874 0.0734 0.0874 0.1232 0.0552 0.0722 0.0797 0.0811 0.0652 0.0736 0.0748 0.0690 0.0932 0.1232 0.1076 0.0706 0.0564 0.1022 0.0646 0.1161 0.0436 0.0657 0.1207 0.0825 0.1086 0.1070 0.0826 0.0711 0.0907 0.0682 0.0866 0.0574 0.0920 0.0762 0.0996 0.4274 0.0577 0.0881 0.1000 0.0732 0.0852 0.0865 0.1015 0.0986
Dap 0.2906 0.2842 0.2532 0.1441 0.3944 0.7513 0.4149 0.3481 0.4592 0.4054 0.5489 0.3053 1.6357 1.0052 1.1978 1.3117 2.0328 1.5675 1.7503 1.6203 0.8823 1.5668 1.4730 1.1881 1.0924 0.7369 1.2155 1.0778 1.3988 1.1916 1.6482 1.3074 1.2874 0.5216 0.8397 0.8353 0.2466 0.3875 0.4217 0.2366 0.2739 0.3811 0.4771 0.4722 0.2701 0.5094 0.5810 0.2460 1.8744 3.6826 3.8347 4.1574 0.9527
D-Apiitol 0.3437 0.1765 0.2040 0.0907 0.3106 0.5114 0.3422 0.3632 0.5184 0.3589 0.6427 0.2967 1.0167 0.6887 0.8272 0.9164 1.9588 1.5792 1.8336 1.7677 2.8789 2.9547 3.3369 2.8592 0.6431 0.4821 0.8826 0.6995 0.9552 0.8497 1.3982 0.9561 1.6533 0.7542 1.8127 1.5570 0.2218 0.3235 0.2577 0.1908 0.2415 0.3017 0.4494 0.3675 0.2912 0.4482 0.4755 0.3349 1.5934 2.6418 2.5713 2.8347 1.0005
d-biotin d-sulfoxide 0.3967 0.3180 0.3789 0.1251 0.8743 1.1756 0.7663 0.8752 0.8949 0.6188 0.7916 0.5842 1.5798 1.5747 1.6789 1.6599 2.5007 1.9150 1.8197 1.8429 1.8667 1.7976 1.4675 1.6906 1.5249 1.1477 1.3889 1.3210 1.2279 1.3847 1.5572 1.3322 1.2571 0.8497 1.1166 0.9912 0.5039 0.7905 0.6733 0.4287 0.4108 0.4910 0.9326 0.6399 0.3900 0.6301 0.5324 0.3811 1.1730 1.1615 1.1154 1.0387 1.2268
decanamide 0.5139 0.4953 0.5539 0.7756 0.6910 0.9116 0.6945 0.9264 0.8971 0.8828 0.9499 0.7448 1.3921 1.3877 1.1184 1.1046 1.0277 1.0672 1.6994 1.1301 1.0315 1.1731 1.3095 1.3873 1.2512 0.9491 1.2825 1.0923 1.2143 0.9849 1.3854 1.3115 1.0600 1.0491 1.3018 1.2476 0.6451 0.6265 0.7776 0.8118 0.6440 0.8665 0.9356 2.3171 1.1787 1.0186 0.9988 1.1576 0.5617 1.2461 1.5478 1.2501 1.3289
delta1-Piperideine-2-carboxylate 0.6008 1.1320 0.6734 1.1788 0.9792 0.7898 1.2781 1.0367 0.8399 1.3387 0.8741 1.2292 1.1714 1.0686 1.0624 1.2688 0.6241 1.0270 1.0313 0.9629 0.7468 1.2362 1.0579 0.9528 0.9509 0.9833 1.2047 1.1564 0.6511 1.1345 1.1509 1.0809 0.7882 0.8479 0.7977 1.0455 0.7681 0.6170 1.1562 1.1291 0.7467 0.7725 0.9013 1.2149 0.8092 0.6882 1.2699 0.7601 0.2137 1.7084 1.7866 1.7608 1.4285
Deoxyadenosine 0.3859 0.4835 0.3155 0.3111 0.8754 0.8408 0.5977 0.6595 0.8667 0.8921 1.0836 0.8691 1.1068 0.7839 0.9091 0.8848 1.1668 0.9400 0.8452 0.8475 0.6434 0.9953 1.0240 0.8697 1.3709 0.8851 0.9933 0.8049 1.0325 0.9620 0.9851 1.0420 1.3567 0.9740 0.9707 1.0799 0.5290 0.5841 0.5568 0.5194 0.6793 0.8665 0.8699 1.2544 0.5004 1.0601 1.0797 0.7618 2.1648 3.3946 3.1618 3.3157 0.9550
Deoxycytidine 0.3409 0.1885 0.1848 NA 0.5341 0.6353 0.6008 0.5340 0.6040 0.5112 0.6170 0.4792 1.3647 1.2013 1.6909 1.6197 1.7397 1.9820 2.4522 1.8247 1.6477 1.6866 2.0270 1.7522 1.0656 0.8275 1.3870 1.1292 1.2085 1.3302 1.9569 1.5279 1.1628 0.8043 1.4507 1.0796 0.2107 0.4156 0.4294 0.2254 0.3957 0.4194 0.6055 0.7136 0.5087 0.6560 0.6605 0.4295 0.8522 0.9740 1.0786 1.0814 1.1952
Deoxyguanidinoproclavaminic acid 0.4139 0.3354 0.3446 0.1687 0.8842 1.1365 0.9374 0.7239 0.9212 0.6363 0.7190 0.5604 1.7192 1.5720 1.5364 1.9715 2.4263 2.3016 1.9151 1.8771 1.7905 1.8210 1.6303 1.4920 1.6687 1.3052 1.5497 1.2671 1.2702 1.2318 1.6837 1.3258 1.1972 0.8277 1.1122 0.9482 0.5287 0.7346 0.6697 0.4767 0.4147 0.4458 0.9169 0.7182 0.4287 0.6418 0.5136 0.3655 1.1130 1.1582 1.1037 1.0789 1.1961
Dethiobiotin 0.3881 0.3736 0.4167 0.2715 0.5304 0.6612 0.5744 0.4376 0.5642 0.5479 0.4198 0.3942 1.9473 1.7362 1.8129 2.0335 1.3080 1.5792 1.3431 1.3208 0.8836 1.5136 1.0650 0.8955 1.4724 1.0901 1.4425 1.1263 1.2596 1.2335 1.2370 1.4403 0.9675 0.6437 0.8640 0.9658 0.5252 0.5168 0.6086 0.3904 0.9619 1.0583 1.1881 1.4874 0.5580 0.9367 0.8206 0.6436 1.1030 1.6808 1.4886 1.4403 0.8303
D-Gluconic acid 0.3072 0.2672 0.1955 0.3042 0.4429 0.6168 0.5387 0.4832 0.5685 0.4827 0.6073 0.4410 2.2552 2.3034 1.0479 1.3211 1.2165 1.3884 3.3831 1.4110 0.9778 1.6870 1.4668 1.1692 0.9155 0.6353 1.6160 0.8733 0.8968 1.0752 1.3867 1.5878 1.1222 0.7226 0.9560 1.0524 0.2723 0.3626 0.3659 0.5690 0.2109 0.3388 0.4632 0.7030 0.6404 0.6247 0.7019 0.2941 1.7783 2.4972 2.2944 2.2444 0.9165
D-Glucono-1,5-lactone 1.9040 2.3300 1.6617 2.5895 0.9522 0.8494 0.4962 0.8274 1.1132 0.8574 0.6634 0.9471 0.9046 1.0090 0.9922 1.1379 0.7577 0.6668 1.0117 0.5187 0.7152 0.8925 0.6458 0.7251 1.0866 0.8554 0.9334 0.9492 0.7950 0.8990 0.9461 0.8757 1.2762 1.2562 1.0498 0.9305 0.7683 0.7438 1.2032 1.0993 1.1018 0.7682 0.6614 1.5961 1.2201 0.8088 0.7873 0.7213 0.9715 0.8379 0.7644 0.9332 0.9913
D-Glucosamine 0.3038 0.2676 0.2451 0.1400 0.4019 0.7549 0.4337 0.3565 0.4801 0.3456 0.5739 0.3191 1.7101 1.0509 1.2293 1.1861 1.3846 1.3919 1.8299 1.6204 0.9224 1.6381 1.5400 1.0839 1.1132 0.7303 1.1573 0.9650 1.0953 1.2458 1.6619 1.3669 1.3153 0.3728 0.4491 0.6913 0.2229 0.3733 0.4409 0.1516 0.2577 0.3984 0.4961 0.4387 0.2329 0.5033 0.4625 0.2572 2.4042 3.8501 3.7797 4.3465 1.0100
D-Glucosamine 6-phosphate 0.6798 0.8316 0.3772 0.1981 0.2181 0.3744 0.2903 NA 0.3665 0.3002 0.6025 0.3497 1.8883 1.4726 1.9782 1.1057 1.2871 1.1926 1.1181 1.0053 0.7613 1.2043 0.5361 0.5304 1.3436 1.2534 1.3506 0.8335 0.8779 0.9132 0.9040 1.2175 1.1747 0.4664 0.5036 0.9361 0.3883 0.3135 0.7216 0.3396 0.8034 1.2651 1.0779 1.4809 NA 0.9034 0.8417 0.2574 1.7717 3.4283 2.7105 3.1268 1.1269
D-Glyceraldehyde 0.3986 NA NA NA NA 0.5300 0.3838 0.2155 0.3445 0.2821 0.5151 0.3172 1.5371 1.0184 0.6157 0.7194 1.9980 1.1026 2.3092 2.0442 1.0467 0.7538 1.3058 1.8431 0.8494 0.7562 0.7553 1.0761 1.4790 1.2644 1.0946 0.7876 1.4458 0.5514 0.9179 1.1659 NA 0.5018 0.4665 0.2962 NA 0.4800 0.6358 1.0721 NA 0.5815 0.4637 NA 3.5726 0.6755 1.5973 1.9821 1.2507
Dicyclohexyl disulfide 1.0306 1.3289 0.8184 1.1772 0.6555 0.9954 0.5371 0.8518 1.4355 1.0542 1.0608 1.0720 1.1206 0.9094 0.4356 0.7244 0.7186 0.7105 1.3572 0.6399 0.7208 1.3084 1.3142 1.2055 0.8828 0.9663 0.7746 1.0016 0.7708 0.7740 0.9064 1.1197 1.6569 1.7373 1.2757 1.6166 0.6050 0.9644 0.8787 0.8824 0.6945 0.8422 0.7974 2.1444 1.0934 0.7074 1.4302 0.5393 0.2672 1.1448 1.1078 1.1701 1.0656
dihydrothymidine 0.2901 NA NA NA 0.5130 0.6634 0.3834 0.4217 0.4665 0.2625 0.7991 0.4063 1.2237 0.8660 1.0883 1.2011 1.4711 1.3563 1.2853 1.9866 1.3525 1.3956 1.2494 1.4752 1.0323 0.7375 1.2639 1.1207 1.0079 0.9818 1.4226 1.2912 1.3413 0.8484 0.9290 1.1645 NA 0.3230 0.3548 NA 0.3120 0.3051 0.3231 0.3455 NA 0.4665 0.6434 0.4067 1.7484 2.8971 2.5132 2.1710 0.8922
D-Proline 0.2729 0.1622 0.1376 NA 0.6091 0.7484 0.6288 0.6079 0.6811 0.5921 0.5931 0.5362 1.2628 1.2647 1.4975 1.8270 2.0091 1.8451 1.8216 2.0726 1.7812 1.4890 1.7933 1.4536 1.1951 1.0081 1.4580 1.5196 1.2978 1.3766 1.8513 1.3096 1.2624 0.5902 1.1960 1.2143 0.4497 0.4637 0.3726 0.1329 0.3776 0.3994 0.6398 0.6881 0.3299 0.8323 0.5984 0.4868 0.9985 1.1070 1.1031 0.9341 1.1199
Enprofylline 0.3083 0.1697 0.3570 0.0867 0.5464 0.9886 0.6877 0.6240 0.7032 0.4708 0.6498 0.3449 1.0187 1.1367 1.2868 1.0942 2.0349 2.0141 1.2206 1.5702 2.3344 1.5740 1.8767 1.5542 1.2878 0.8393 1.2268 0.9512 1.4930 1.4722 1.6748 1.2351 1.4365 1.2172 1.2352 1.2002 0.2830 0.4896 0.4122 0.2323 0.3802 0.3861 0.4906 0.3906 0.2819 1.0532 0.6132 0.5565 1.0432 1.8044 1.8639 1.6592 1.1378
Epsilon-(gamma-Glutamyl)-lysine 0.7573 0.5116 0.6816 0.3001 0.7610 1.0129 0.7418 0.8208 0.8488 0.6794 1.0446 0.6666 1.0312 1.0853 1.4281 1.2649 1.6417 1.6525 1.4804 1.7391 1.4870 1.5068 1.7852 1.7687 1.2061 1.0457 1.3758 1.3249 1.4209 1.4125 1.6682 1.4842 1.3132 1.0115 1.4096 1.3257 0.5101 0.7743 0.6191 0.3666 0.5360 0.7136 0.8995 0.9338 0.5616 1.0905 1.0207 0.7819 1.0014 1.1072 1.1704 1.1363 1.0757
FA (12:1) dodecenoic acid 1.9674 0.7128 0.9704 0.7276 0.2926 0.8753 0.2384 0.7958 0.7618 0.3508 0.9523 0.4352 0.9803 0.6417 0.5948 1.1170 1.4380 0.7176 1.0069 1.1789 0.9808 0.6131 0.9863 1.9449 1.0171 0.7482 0.8161 1.3283 1.2110 0.5059 0.6744 0.8178 1.2148 0.6487 0.7744 1.3767 0.2834 1.3413 0.5784 0.4362 0.4905 0.9969 1.1838 2.2955 0.4104 0.0769 0.5037 0.3185 2.9614 2.1757 2.2077 2.9020 1.4235
[FA (14:2)] 5,8-tetradecadienal NA NA NA NA NA NA NA NA NA NA NA NA 2.1434 0.7986 1.4730 1.8455 NA 0.5649 1.4766 0.7882 0.5150 1.2360 0.3449 NA 0.6856 0.9572 1.6263 1.3219 0.2976 0.7094 0.4763 1.0271 NA NA NA NA NA NA NA NA 0.2132 0.4071 0.6326 0.7177 NA NA NA NA 1.0799 1.6789 1.3995 1.9314 0.6521
FA (14:2) tetradecadienal 0.2467 0.2706 0.2783 0.2360 0.8066 0.6848 0.2840 0.7043 0.7541 0.8172 0.8673 0.7090 1.1223 0.6011 0.7267 0.7041 1.1031 0.9259 1.0177 0.8931 0.8483 1.3488 1.1097 0.7659 1.0461 0.7984 0.9091 0.7152 1.0606 0.9234 0.9202 0.9232 1.4761 0.8749 0.9587 1.1346 0.3958 0.4961 0.5204 0.4005 0.6104 0.8247 0.9360 1.0170 0.3252 0.9559 0.9085 0.6463 2.2568 4.2516 3.7113 4.1663 1.0112
FA (16:2) 0.9465 1.2038 1.3575 0.7537 0.8953 0.9286 1.0432 1.0519 0.7235 0.9500 0.9802 1.0990 1.0961 1.1621 0.8468 0.8061 0.8260 0.9609 1.0506 1.1428 0.9606 0.7415 0.7882 1.0537 0.8221 0.9866 0.8589 0.9697 1.1443 0.9842 0.7903 0.7660 1.0878 1.1218 1.0538 1.0705 1.1429 1.1100 0.9641 1.2165 0.8951 1.3094 0.8728 1.2694 1.3310 0.9065 0.9764 0.9435 1.2128 1.1364 1.0348 0.9166 1.1804
[FA (16:2)] N-hexadecyl-ethanolamine 0.4753 0.3230 0.4001 0.3088 0.6229 0.7179 0.4657 0.5737 0.7406 0.5243 0.9619 0.6008 0.9201 0.6864 0.9068 1.1317 1.4889 1.1309 1.2469 1.5334 1.0886 1.0641 1.7773 1.7445 1.5314 1.0793 1.6992 1.7252 1.4326 1.2841 1.7815 1.5879 1.6130 0.8408 1.0800 1.3794 0.3112 0.6580 0.4180 0.2830 0.4162 0.5355 0.7819 0.9362 0.3374 0.5035 0.8073 0.6535 1.0594 1.8959 1.7072 1.8472 1.3795
[FA (18:0)] N-(9Z-octadecenoyl)-ethanolamine 0.2998 0.2288 0.1815 0.1024 0.4657 0.7471 0.3791 0.4263 0.6062 0.4561 0.6671 0.4302 1.2311 0.9279 1.1154 1.1229 1.4768 1.6335 1.6661 1.4635 1.4016 1.9984 1.7294 1.5373 0.9732 0.6454 1.0840 0.8223 1.3129 1.1555 1.4905 1.4224 1.8180 0.9125 1.2342 1.4049 0.2463 0.5411 0.3904 0.2274 0.2924 0.4234 0.4453 0.4777 0.3431 0.5470 0.6677 0.3435 1.9719 3.1363 3.2516 3.0540 1.0662
FA (18:1) 0.0691 NA NA NA 0.2076 0.3319 0.2712 0.1847 0.3373 0.2084 0.2724 0.2091 0.5295 0.3978 0.3326 0.3154 3.0088 3.2766 1.9609 1.7080 5.1498 5.5013 4.1381 3.0201 0.2646 0.2552 0.3142 0.2064 0.6524 0.6282 0.9874 0.5562 1.5329 0.8906 1.4876 1.5481 0.0502 0.1264 0.0747 0.0612 0.0392 NA 0.0489 0.0494 0.0696 0.2620 0.2293 0.1346 1.1873 1.4865 1.7359 1.7448 0.9454
FA (18:3) 2.7384 1.1068 1.5502 0.9476 0.3549 0.8458 0.0800 0.8223 0.3909 0.2381 1.0935 0.4964 1.0196 0.4621 0.4271 0.7222 1.3975 0.3355 1.0394 1.0848 0.8366 0.5552 0.9935 2.0342 1.0342 0.7073 0.6175 1.4757 1.1821 0.4229 0.4601 0.7216 1.5683 0.6064 0.6384 1.2666 0.2869 1.4264 0.6622 0.3102 0.5093 1.6214 1.5013 2.5851 0.2749 0.3385 0.3433 0.1558 2.0600 2.3290 2.3411 2.6250 1.3556
[FA amino(14:0)] 2-amino-tetradecanoic acid 1.6887 1.0985 1.2184 0.6311 0.6551 0.9052 0.2168 0.7631 0.7837 0.5045 0.9094 0.5093 1.2836 0.8341 0.9198 1.6529 1.4809 0.9803 0.9833 1.3379 1.0045 0.6175 1.2372 1.5248 1.4695 1.1315 1.3569 1.3617 0.9812 0.9010 1.0840 1.2135 1.3165 0.9692 0.8606 1.2467 0.6493 1.0017 0.6427 0.3823 0.9787 1.1976 1.3754 1.8097 0.4832 0.6611 0.6840 0.4661 0.9236 0.9848 1.0288 1.0373 1.0605
FAD NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA
Fagomine 1.8775 1.1108 1.1846 0.6041 0.6760 1.0459 0.2690 0.9800 0.8498 0.4769 0.8860 0.6040 0.8690 0.7641 0.8104 1.3180 1.1707 0.9411 0.9594 1.0995 1.0918 0.9759 1.4536 1.4729 1.3610 1.4692 0.9915 1.3510 1.0225 0.7893 1.1979 1.0466 1.4930 1.1647 1.0352 1.3653 0.3941 1.2699 0.6794 0.2868 1.1561 0.8686 1.0200 1.5350 0.4610 0.8033 0.8163 0.5209 0.8178 1.1089 1.1652 1.3149 1.0035
FA hydroxy(18:0) 1.5015 1.2417 1.0628 1.2428 0.9528 1.2018 0.8042 1.0840 0.7891 1.0452 1.3597 1.0314 0.9109 0.6579 1.0324 0.7846 0.8183 0.6708 0.7300 0.9220 1.0108 0.9353 0.8591 1.1360 1.0386 0.7329 0.7276 1.2232 1.3860 0.8835 1.1694 0.8039 1.1425 1.1275 1.4293 1.0978 0.9450 1.6322 0.8453 0.9674 0.8996 1.0547 1.0556 1.1449 1.1832 1.0702 0.7735 1.4451 0.6667 1.4088 1.7495 1.5944 1.4520
FA hydroxy(18:1) 0.3887 0.2329 0.3893 NA 0.5809 0.7743 0.4588 0.5028 0.6108 0.4146 0.7269 0.4632 1.1266 0.9357 1.1245 1.3214 1.7215 1.9150 1.5320 1.6059 1.3979 1.3214 1.7298 1.5712 1.0123 0.7659 1.3104 1.2407 1.3103 1.1666 1.6607 1.2523 1.2435 0.6551 1.0587 1.2706 0.1810 0.4708 0.3751 NA 0.3585 0.4523 0.6511 0.6235 0.2686 0.7658 0.5580 0.4202 1.2671 2.4266 2.2215 2.1350 1.0317
FA hydroxy(20:3) NA NA NA NA 0.3096 0.4354 0.1106 0.1000 0.5543 0.2243 0.6617 0.1412 1.3815 0.7159 0.9520 0.8274 1.4598 1.6378 1.2440 1.3791 1.6175 1.9622 1.7088 1.4954 0.9001 0.4238 0.7477 0.6707 1.4642 1.2050 1.4575 0.9883 1.4953 0.8874 1.2024 1.3660 NA 0.1803 NA NA 0.1793 0.2632 0.3778 0.1896 0.1055 0.5559 0.3822 0.1024 1.2825 3.1098 3.2877 3.2028 1.0544
FA oxo(9:0) oxo-nonanoic acid 0.4464 0.7054 0.4218 1.1952 0.6562 0.4908 0.8244 0.4328 0.7354 0.8023 0.4639 0.7303 1.1072 0.8432 0.7052 0.7927 0.4982 0.8359 0.9266 0.4922 0.3977 0.7828 0.5658 0.4473 0.6094 0.7236 0.8056 0.5252 0.4499 0.7909 0.6917 0.8854 0.4708 0.4599 0.4635 0.4325 0.6202 0.4088 0.8488 1.1980 0.6138 0.4927 0.4641 0.5367 1.1600 0.4652 0.7649 0.4024 12.3704 0.5668 0.4507 0.4681 0.5506
Fasoracetam 0.3357 NA NA NA 0.3511 1.0237 NA 0.3114 0.6180 0.3264 0.7156 0.2783 1.2294 0.8396 1.2650 1.1945 1.4863 1.3481 1.1688 1.5131 0.8560 0.9677 1.0562 1.1586 1.2529 1.0898 1.2632 1.5064 0.9566 0.8374 1.5503 0.9430 1.1228 0.6607 0.6203 0.9705 0.3199 0.6384 0.5866 NA 0.2171 0.2802 0.5363 0.2731 NA 0.3082 0.3242 NA 1.4222 2.8265 3.1137 3.3286 1.0078
[FA trimethyl(13:2)] tridecadienoic acid NA 0.4523 0.0381 2.8388 0.2619 0.1252 1.4535 0.1426 0.3984 0.6187 0.0890 0.8773 3.9699 3.7281 2.1394 2.2586 0.0476 0.8784 3.9498 0.3896 0.1392 2.1833 0.4257 0.2710 0.5110 1.1026 2.8917 0.6267 0.0586 0.5883 0.7274 1.9589 0.1651 0.2783 0.1435 0.2278 0.1991 0.0521 0.6331 2.3315 0.3016 0.1186 0.1541 1.4175 2.7420 0.1942 0.9392 0.0646 0.7467 1.3385 1.3553 1.5558 0.9002
Fibrin 0.1135 0.1296 0.1843 0.1078 0.4345 0.5868 0.5892 0.6360 0.3743 0.3267 0.6287 0.4720 1.1880 1.2186 2.0737 2.7067 1.1871 1.7791 2.6318 2.3194 1.0946 1.3297 1.7072 1.4596 0.9777 1.2208 2.0848 2.1337 0.9777 1.4641 2.0060 1.9470 0.5898 0.5095 1.0183 0.8990 0.2338 0.2711 0.4950 0.3172 0.4038 0.5264 0.7001 1.2723 0.1724 0.5411 0.7175 0.4640 0.6253 0.8968 1.2220 1.3711 1.6628
FMN 2.4916 1.1315 1.3391 0.6522 0.4559 0.7474 0.2194 0.6463 0.6125 0.2976 0.8129 0.4243 0.9444 0.6134 0.7196 1.1493 2.0002 0.7951 0.7778 1.0057 1.1321 0.6837 1.2001 1.8620 1.2401 1.1006 0.9900 1.6038 1.2976 0.6829 0.8678 0.7888 1.1458 0.5796 0.6140 0.9898 0.5299 1.1163 0.5775 0.2566 0.8881 1.4099 1.4848 1.7970 0.2408 0.3496 0.4799 0.2987 1.3151 2.1336 2.2199 2.2875 0.9996
Formyl-5-hydroxykynurenamine 0.7383 0.2949 0.2435 0.2214 0.3476 0.8260 0.3320 0.6522 0.6803 0.4639 0.8495 0.6699 0.9181 0.8212 0.7784 0.9070 1.2699 1.2005 1.2195 2.0370 1.2357 1.5416 1.3984 1.7632 0.9419 0.5570 0.9070 0.6819 1.4054 1.1952 1.3431 1.2793 1.6588 1.0206 1.2667 1.6867 NA 0.3159 0.4376 0.2016 0.1987 0.4014 0.6200 0.7984 0.3916 0.7125 0.8888 0.5643 1.8860 2.7796 2.8321 2.6325 0.9855
Formylfusarochromanone 0.1355 0.0989 0.0979 0.0423 0.5428 0.7298 0.5004 0.5415 0.4523 0.2905 0.4752 0.2971 2.0168 1.3574 1.7569 1.9324 2.1940 2.0273 1.1759 1.4914 1.8766 1.5604 1.3140 1.2412 1.8337 1.1608 2.0322 1.6356 1.3367 1.1935 1.4385 1.1363 0.7503 0.3194 0.5625 0.6095 0.3165 0.4935 0.3622 0.2486 0.5062 0.4636 0.6768 0.3184 0.0893 0.2448 0.1531 0.1685 1.3749 3.1362 3.1369 3.2109 0.9230
Fructosamine 0.4790 0.3272 0.3803 0.2820 0.4600 0.8133 0.3870 0.5958 0.6321 0.6080 0.8324 0.5784 0.8241 0.6575 0.7661 0.9449 1.7296 1.0517 1.5003 1.6452 1.1222 1.7070 1.5068 1.8741 0.7380 0.5557 0.7865 0.8247 1.1577 1.0260 1.3555 1.3794 1.7242 1.0569 1.4799 1.9170 0.3090 0.4238 0.4546 0.2656 0.2144 0.4125 0.4905 0.6685 0.4101 0.7243 0.8639 0.4469 0.9655 2.8959 3.1301 3.2348 1.3826
Fumarate 0.2219 0.1732 0.1829 0.1222 0.7384 0.8631 0.7205 0.7475 0.7114 0.5019 0.7719 0.4904 1.4382 1.2418 1.7138 1.6919 1.6826 1.8846 1.9738 1.6579 1.6084 1.6744 1.7622 1.3185 1.0495 0.9854 1.5616 1.1461 1.4598 1.4052 1.8850 1.7850 1.3566 0.8623 1.3022 1.1422 0.3972 0.5066 0.5352 0.3513 0.4266 0.5202 0.7638 0.8022 0.3026 0.7088 0.4458 0.4348 1.0259 1.2324 1.3488 1.2646 1.0843
Furfural diethyl acetal 0.5349 0.4712 0.4564 0.2261 0.6440 0.8972 0.6022 0.6949 0.8063 0.7020 0.6892 0.4714 1.2175 1.2192 1.2445 1.1889 1.8058 1.6065 1.8174 1.6286 1.4093 1.4420 1.4770 1.7765 1.2378 0.9982 1.2504 1.1336 1.6240 1.4309 1.8442 1.5172 1.4359 0.9461 1.2081 1.0606 0.4412 0.5782 0.4140 0.3006 0.4967 0.4897 0.6640 0.7623 0.5343 0.8838 0.7482 0.4741 1.0254 1.0736 1.1310 1.1500 1.1171
gamma-Glutamyl-beta-aminopropiononitrile 0.6106 0.6430 0.5423 0.5309 0.6522 0.9133 0.4487 0.9567 0.6696 0.5653 0.8174 0.5752 1.4703 0.9294 1.0089 0.9701 1.3367 0.7950 1.5563 1.5317 1.1583 1.4094 1.8376 2.3316 1.0481 0.7645 1.1066 1.0277 1.4835 0.8141 1.4353 1.1673 1.6340 1.1094 1.3103 1.4742 0.4808 0.7010 0.5329 0.6469 0.3035 0.5475 0.4601 0.9561 NA 0.7654 0.8012 1.0115 0.5643 2.0766 1.8188 2.5521 1.6698
gamma-Glutamyl-gamma-aminobutyraldehyde 0.5066 0.3138 0.4304 0.1499 0.7037 1.0265 0.6952 0.7524 0.8395 0.6545 0.9300 0.5404 1.2402 1.2096 1.4537 1.4032 1.9439 2.0155 1.7925 1.8578 1.8491 1.8515 1.9429 1.8320 1.1503 1.0453 1.4227 1.2997 1.6867 1.5764 1.8886 1.5758 1.5763 1.1002 1.4277 1.4231 0.3791 0.6601 0.4747 0.2293 0.3788 0.5797 0.7649 0.7036 0.4980 1.0722 0.8561 0.5895 0.9660 1.1788 1.2242 1.2022 1.1292
Gamma-Glutamylglutamine 0.3525 0.2180 0.6041 0.2454 0.3397 0.6654 0.3729 0.3493 0.7202 0.2755 0.4010 0.3038 1.1395 1.2166 1.3242 1.1134 1.7053 1.9229 1.5077 1.5578 1.9870 1.5353 1.5159 1.2568 1.1007 1.1773 1.2404 1.1704 1.4324 1.4161 1.9944 1.1981 1.2619 0.7064 0.8024 1.3043 0.2125 0.3219 0.2797 0.2004 0.5365 0.3699 0.6407 0.3757 0.2251 0.7603 0.5073 0.2597 1.1521 2.8738 2.9515 2.8840 1.0143
Gamma-glutamyl-Histidine 2.4987 1.0815 1.5218 0.7587 0.4584 0.9439 0.1510 0.9101 0.7084 0.3382 1.0777 0.5603 0.6961 0.4202 0.4896 0.8914 0.9524 0.3553 0.4527 0.7665 0.6612 0.3293 0.7382 1.8457 1.3546 0.9663 0.8614 1.6047 1.1913 0.4417 0.5828 0.5282 1.4518 0.9308 0.6843 1.4701 0.4506 1.6357 0.8123 0.4501 0.6883 1.2466 1.3738 2.9030 0.2325 0.3050 0.5454 0.5064 1.4129 2.3857 2.2761 2.5709 1.5289
gamma-Glutamyl-Se-methylselenocysteine NA NA NA NA NA 0.6770 NA 0.2959 0.5091 0.4862 0.6634 0.3006 0.9873 0.4791 0.6376 0.4167 1.2812 1.6587 1.4052 1.5639 1.1928 2.1108 1.4225 1.3776 0.5321 NA 0.7084 0.4752 1.1202 0.9812 1.1478 1.3325 1.5295 0.8958 0.9929 0.9748 NA NA 0.2101 NA NA NA 0.4679 0.3142 NA 0.7401 0.4948 0.2723 NA 2.6678 2.1271 2.5414 1.0084
Gamma-Glutamyltyrosine 0.3567 0.2931 0.2391 0.2317 0.5123 0.6350 0.5913 0.4748 0.6373 0.5745 0.7769 0.4197 1.2194 1.0541 1.1549 1.1849 1.5509 1.4378 1.8114 1.4087 1.2521 1.8993 1.6986 1.6504 1.0340 0.7600 1.3122 1.0253 1.1067 1.2087 1.4534 1.6202 1.3158 0.9245 1.1914 1.2809 0.3327 0.4679 0.4255 0.2703 0.1981 0.4531 0.3709 0.5788 0.4830 0.7689 0.7262 0.3968 1.0141 2.7714 2.5858 2.6737 1.1847
gamma-L-Glutamyl-D-alanine 0.6828 0.6652 0.6121 0.3914 0.7501 0.9828 0.6363 0.8485 1.1344 0.8363 0.9297 0.6730 1.6164 1.4369 1.2188 1.3673 1.2922 1.5467 1.3687 1.3299 1.2407 1.5899 1.4870 1.4607 1.1417 0.9012 1.2259 1.0567 1.4537 1.4685 1.5136 1.5234 1.0996 1.3495 1.4844 1.3812 0.4571 0.7573 0.5278 0.3359 0.6252 0.7733 0.9106 1.5515 0.7497 1.3260 1.2325 0.9196 1.0930 1.2227 1.2532 1.2470 1.3030
gamma-L-Glutamyl-L-cysteine NA NA NA NA NA NA NA NA 0.1975 NA 0.4415 NA NA NA NA NA 0.8676 0.4184 0.3918 0.7528 0.5770 1.2826 0.8755 1.0307 NA NA NA NA 0.2468 NA 0.3141 NA 0.7295 NA 0.3385 0.9304 NA NA NA NA NA NA NA NA NA NA NA NA 1.5227 3.0011 2.7962 2.8185 0.4670
GDP 1.5857 0.6437 0.7482 0.9121 0.7727 0.6308 0.5125 0.6873 0.8913 0.6931 1.2228 1.7020 0.9583 NA 0.7965 0.7116 0.7162 0.5546 0.7555 0.9419 0.7502 0.8028 1.4433 1.5768 1.0942 0.8179 NA 0.8411 0.8055 0.6802 0.5880 NA 1.7287 1.1904 1.3653 1.4810 0.5239 1.6432 0.6209 0.6604 0.5081 1.2121 0.8515 2.9447 0.6139 0.6504 1.3642 0.5481 0.4611 1.7988 2.4990 2.6078 0.9719
GF 109203X 0.5784 0.6462 0.6018 0.5635 0.7729 1.0802 0.8730 1.0011 0.8011 0.8790 0.9068 1.0397 0.8983 0.6363 0.8191 0.9502 0.9163 0.8130 1.0420 1.3328 0.7654 1.5251 1.2590 1.6675 0.8030 0.5914 0.8386 0.8152 0.9964 1.0037 1.4694 1.4780 1.1383 1.0652 1.3039 1.4184 0.4997 0.8257 0.8505 0.7671 0.3739 0.4844 0.6212 1.2498 0.4587 0.9731 1.0939 0.8203 2.1970 1.7210 1.6682 1.8715 1.2336
Gln-Leu-Thr-Pro 0.4247 1.2662 0.7903 0.2634 1.2287 0.8140 0.8824 1.3385 1.0822 1.0914 1.0252 0.3489 1.0552 1.1184 0.7467 1.0296 1.2239 0.8399 1.4873 1.3731 1.3697 0.2966 1.2903 1.6539 0.1324 1.5707 1.2379 1.1549 0.7873 1.8130 1.8159 1.2262 1.4138 1.5131 0.8755 1.5907 0.5234 0.8554 1.5736 1.6568 1.2564 0.6705 0.4262 1.3397 0.7643 0.8793 1.6242 1.6263 0.3891 1.0346 1.0656 1.0455 1.0780
Gln-Phe-Pro-Pro 0.4731 0.5574 0.5687 0.4423 0.5759 0.6428 0.4366 0.6384 0.7276 0.8348 0.5831 0.6069 1.2654 1.0735 0.8913 1.1372 0.6632 0.6141 0.9163 0.7439 0.4441 0.7970 0.7908 0.5820 1.5798 1.1334 1.4846 1.1830 1.0160 1.0850 1.1055 1.1368 0.9963 1.5682 0.9639 0.9564 0.6705 0.5802 0.8354 0.7379 1.3578 1.7212 2.0452 2.6518 0.8381 1.8839 1.6839 1.3562 3.0681 1.7919 1.8504 1.9663 1.6468
Gln-Pro 1.0615 0.5750 0.9621 0.8739 0.3903 0.9083 0.1990 0.6526 0.7355 0.5656 1.1859 0.7467 1.6231 1.4949 0.8898 0.9486 1.1786 0.9633 1.7031 1.4963 0.9503 1.1475 1.6619 2.2348 0.8112 0.5586 0.7546 0.6252 1.0501 0.7156 1.4022 1.2847 1.6173 1.0650 1.7832 1.4982 0.2298 0.8762 0.6833 0.4700 0.3593 0.6750 1.2308 1.7751 NA 0.7306 0.6592 0.5893 1.3871 0.9238 0.8879 0.9563 1.2519
Gln-Pro-His-His 0.5835 0.3184 0.4188 0.2906 0.5805 0.8946 0.5185 0.6306 0.5353 0.4801 1.0329 0.4793 1.2904 1.3222 1.6959 1.7514 1.4551 1.4502 1.5868 2.0475 1.0344 1.0694 1.6500 1.5322 2.5052 2.1523 1.9753 1.8024 1.3978 1.1385 1.9594 1.7597 1.0844 0.5604 0.7943 1.0609 0.3936 0.5429 0.7246 0.3958 0.4209 0.3760 0.5809 0.6145 0.3619 0.4184 0.7111 0.3310 0.8209 0.8554 0.7526 0.7417 1.1184
Glu-Arg 0.4371 0.3426 0.3535 0.2154 0.3893 0.6763 0.3050 0.5547 0.5928 0.5471 0.8222 0.6766 1.1867 0.9835 1.5946 1.6594 1.3352 0.8658 1.2458 1.2171 1.5744 2.5323 1.9994 2.3184 1.1363 0.7843 1.7971 1.3533 0.9172 0.7151 1.0361 1.0402 1.8420 0.6503 1.2930 1.1688 0.3550 0.6795 0.7268 0.4655 0.2652 0.3995 0.5337 0.8460 0.2193 0.3773 0.4423 0.2462 1.7649 2.0982 2.0303 2.0953 1.2960
Glu-Ile-Pro 0.2656 NA 0.1992 NA 0.3055 0.3218 0.2429 0.1815 0.6460 0.3180 0.7051 0.2805 1.3893 0.5481 0.7762 0.6876 2.2065 2.7514 2.7920 2.3972 2.8539 2.9367 2.5145 1.7998 1.1361 0.4583 0.7973 0.4706 1.3813 1.1726 2.4297 1.9487 1.8849 1.1191 1.7742 1.4347 0.2563 0.2198 0.2218 NA 0.2715 0.3251 0.2712 0.2194 0.5422 1.1433 0.8572 0.4371 1.1203 1.2227 1.4252 1.3722 0.8537
Glu-Phe-Pro-Pro NA 0.3269 0.0261 1.0274 0.8141 0.4479 3.0923 0.5311 1.0019 1.8350 0.2958 2.0476 2.0652 1.7818 1.5584 1.5727 0.0752 1.2159 3.2819 0.5262 0.3099 3.3139 0.8516 0.4549 0.3564 0.6470 1.6718 0.5214 0.0869 0.5984 0.8610 1.7134 0.2667 0.4477 0.2285 0.3062 0.3732 0.0724 1.0610 2.6509 0.3356 0.1527 0.1973 1.1549 2.3581 0.2519 1.4898 0.1210 0.7360 1.3232 1.2999 1.3327 0.9303
Glu-Pro 0.8514 0.5819 0.5301 0.2713 0.5423 0.8385 0.3656 0.6363 0.7741 0.4732 0.8631 0.5468 1.1863 0.9099 1.0734 1.2621 1.8594 1.4885 1.2833 1.6350 1.2592 1.2068 1.4426 1.6404 1.2556 0.9462 1.1573 1.1553 1.1933 0.9777 1.1941 1.2152 1.3651 1.0359 1.1144 1.2316 0.3954 0.8421 0.5625 0.2704 0.4886 0.7191 0.8134 0.9377 0.3894 0.6362 0.7432 0.4565 1.4025 1.9610 1.8869 2.0154 1.1161
Glu-Pro-Pro 1.0811 1.1032 1.1184 0.9862 0.9634 1.0196 0.8592 1.0024 0.9066 0.8547 0.8340 0.9663 0.9280 0.9163 1.1046 1.0770 0.8003 1.1154 1.0273 0.9070 1.0611 0.9789 1.0161 1.0476 1.0155 0.9717 1.2728 1.1129 0.9825 0.9939 1.1133 1.1280 0.9435 0.9987 1.0196 1.0465 1.1551 0.7729 0.9604 0.8103 0.8445 0.9961 0.8627 0.9728 0.9581 0.9338 0.9882 1.0088 1.1226 1.0461 1.0282 1.0740 0.9086
Glu-Pro-Ser 0.0951 0.0440 0.0599 0.0360 0.7655 0.7533 0.8113 0.6213 0.4551 0.2877 0.6408 0.2808 1.3024 1.2849 1.5028 2.1068 2.7889 2.8134 2.0190 2.1232 1.7067 1.1209 1.4021 1.0843 1.4272 1.0939 1.5725 1.6091 1.7227 1.9105 2.2662 1.8776 1.1878 0.5646 1.1416 0.9308 0.2488 0.3580 0.3625 0.2369 0.1692 0.2046 0.2557 0.0887 0.2804 0.3727 0.5052 0.4243 1.0803 1.2597 1.3018 1.3446 1.0959
Glu-Pro-Thr 0.6727 0.6066 0.6162 0.3861 0.7384 0.9602 0.6358 0.6851 0.7155 0.7856 0.7446 0.5801 1.3888 1.1270 1.1456 1.4958 1.5934 1.6691 1.8424 1.4084 1.1899 1.9255 1.4090 1.5648 1.1082 0.6864 1.2526 1.0571 1.4420 1.2974 0.9459 1.8496 1.3572 0.7879 1.0853 1.2195 0.4620 0.6478 0.4533 0.6321 0.6603 0.7272 0.9891 1.2270 0.4671 0.9611 0.7446 0.5455 1.8961 1.7686 1.8165 2.0035 0.9942
Glu-Pro-Val 0.0108 0.3950 0.0360 3.6256 0.3238 0.2739 2.0303 0.2822 0.4223 1.2739 0.1744 1.5203 2.8140 4.8128 1.1965 1.4079 0.0627 0.5518 4.5769 0.2955 0.1881 1.2773 0.2383 0.3173 0.3181 0.6094 1.6173 0.3205 0.0761 0.4861 0.4241 1.1568 0.1710 0.3155 0.1188 0.1999 0.2344 0.1071 0.8101 3.4703 0.3334 0.1212 0.2219 1.6764 5.9545 0.2754 0.5774 0.0778 1.1231 1.3383 1.4153 1.3631 0.9775
Glu-Ser-Val NA NA NA NA NA 0.3210 NA NA 0.3649 NA 0.4666 NA 0.4933 0.6647 0.8505 0.8839 1.6098 1.2381 1.8950 1.6397 1.1237 1.4516 1.8588 2.0533 0.6858 0.2669 0.8812 0.7512 1.0503 1.3447 1.6796 1.3352 1.5481 0.5397 0.9621 1.5812 NA NA NA NA NA NA NA 0.2728 NA 0.6260 0.2525 NA 0.7395 NA NA NA 0.5681
Glutathione 0.4712 0.3600 0.3322 0.1833 0.4253 0.6217 0.4269 0.6029 0.4467 0.3858 0.6793 0.4669 0.9889 0.9248 1.1649 1.7448 1.0974 0.9256 1.8197 1.5252 0.7220 0.7360 1.0736 1.1366 1.2753 0.9206 1.5959 1.5460 0.9123 0.8646 1.2829 1.2369 0.8765 0.6187 0.5992 0.9353 0.3156 0.6110 0.6110 0.3686 0.3475 0.4284 0.5499 0.7215 0.1943 0.2905 0.4801 0.3154 4.2780 3.1921 3.6791 3.6518 1.0393
Glutathione disulfide 0.6413 0.4875 0.5343 0.8429 0.6141 1.0951 0.6399 1.2463 0.5793 0.5383 0.9989 0.6285 1.2242 0.7966 1.2016 1.1818 1.6642 1.3377 1.3163 1.6110 1.4265 1.8417 1.4528 2.0996 0.9876 0.6938 1.1814 1.2277 1.2832 1.3644 1.5062 1.5539 1.6837 1.1287 1.2891 1.6380 0.4425 0.4603 0.5903 0.4447 0.5062 0.5071 0.5587 0.5784 1.2009 0.8294 0.8101 0.7865 1.0480 1.7422 1.3713 1.6561 1.0328
Glu-Thr NA NA NA NA 0.4641 0.8562 0.4117 0.5340 0.5033 0.4444 0.5918 0.3252 1.2004 0.9539 0.6834 1.2064 1.9570 1.6051 1.2450 1.6345 1.2068 1.5118 1.7714 1.3380 0.9334 0.5562 1.3612 0.5971 1.3658 1.2541 1.7191 1.5675 1.3807 0.5920 0.9839 1.1862 0.2328 0.3720 0.1844 NA 0.3368 0.4463 0.4991 0.4175 0.2274 0.6381 0.5621 0.4872 1.6302 2.3670 2.3469 2.6636 0.6470
Gly-Arg 1.2999 0.4410 0.7903 0.3322 0.5678 0.9875 0.3743 0.9304 0.7020 0.4306 1.1030 0.5261 1.2011 0.9192 0.9536 1.4282 1.2662 0.7999 1.2549 1.5090 0.8503 0.5365 1.0603 1.6473 1.6995 1.1052 1.6558 2.0836 1.4605 0.8517 1.3148 1.1934 1.3313 1.0433 0.8830 1.4606 0.4281 1.2114 0.6255 0.4309 0.4133 0.8845 1.0370 1.2189 0.3166 0.4167 0.5886 0.5033 0.6674 1.5175 1.6268 1.7588 1.3602
Glycerol 1-propanoate 1.9957 1.8299 1.7533 1.7961 0.9978 0.9471 0.8065 1.0515 1.3945 1.3078 0.9016 0.9159 0.8859 0.8247 0.6562 0.8181 0.8653 1.0451 0.7384 0.4167 0.7498 0.9819 0.8642 0.7825 1.0211 0.7156 0.3851 0.8340 0.8179 0.8135 0.8767 0.8854 1.0914 1.1753 1.0472 0.9915 0.9278 0.9196 0.8907 0.8330 0.8338 1.1590 0.8651 1.5066 0.8898 1.2787 1.1165 1.1898 0.9068 0.9073 0.8721 0.8979 1.0241
Glycerone phosphate NA 0.0884 0.0613 0.2225 0.1759 0.1063 0.1926 0.1263 0.2232 0.2209 0.1186 0.2385 3.7125 1.7816 3.6267 4.0103 0.3687 1.8091 3.1434 1.3385 1.2337 1.6737 0.6345 0.2558 1.6525 2.3691 3.2290 2.5020 0.7355 1.7950 1.3909 2.1691 0.1818 0.2235 0.1883 0.2590 0.1688 0.0710 0.1991 0.1755 0.5991 0.8315 1.1218 1.4618 0.3172 0.1769 0.2059 0.0723 NA 0.8731 0.8963 0.9121 0.8587
Glycerophosphoglycerol 0.1705 0.0890 0.1427 NA 0.4798 0.6466 0.5629 0.3917 0.5765 0.4145 0.4865 0.3030 1.6568 1.7924 2.0782 2.1491 2.3253 2.1969 2.4666 1.9254 1.1814 1.9820 1.1798 0.8895 1.1724 0.9206 1.8349 1.1835 0.9556 0.8949 1.1065 1.1024 1.0122 0.6223 0.7779 0.5755 0.3504 0.4881 0.4447 0.3339 0.4604 0.6825 1.0130 1.1700 0.5385 0.6146 0.5416 0.3818 1.5541 1.6799 1.7953 1.7387 0.9129
Glycyl-leucine 0.3897 1.2939 0.7605 0.3427 1.1174 0.8230 0.8594 1.2358 1.1144 1.0270 0.9054 0.5243 0.9780 1.2843 0.8788 1.0917 1.0659 0.9988 1.7069 1.2830 1.0060 0.2751 1.0279 1.3215 0.1097 1.5946 1.4178 1.0249 0.6686 1.4488 1.5908 1.3808 1.1836 1.2092 0.8625 1.1803 0.4560 0.8133 1.1921 1.4349 0.9400 0.6983 0.4428 1.2702 0.4528 0.8088 1.3921 1.5212 0.5955 1.0529 1.1265 0.9201 0.8997
Glycylproline 0.8841 0.4641 0.4658 0.2146 0.5206 0.7121 0.3814 0.5029 0.7607 0.3226 0.7106 0.4775 1.0505 0.8953 1.0660 1.4676 1.7224 1.3146 1.2696 1.4836 1.0716 0.9806 1.7874 1.5070 1.1990 0.8089 1.2393 1.4453 1.0724 0.9673 1.1072 1.1182 1.4618 0.8936 1.0369 1.2361 0.2921 0.8230 0.5286 0.1794 0.4633 0.6492 0.6801 0.7195 0.3247 0.5655 0.6864 0.2657 1.4406 2.9661 3.0963 2.8641 0.8363
Gly-Pro-Pro 0.8133 0.9106 0.7171 0.4424 0.7377 0.8318 0.6402 0.7732 0.6983 0.7450 0.7514 0.8090 0.7941 0.7899 1.0812 1.0840 1.3441 1.2397 1.2119 1.1245 1.4333 1.2941 1.3622 1.1700 1.1724 0.9810 1.1678 0.9806 1.3760 1.2654 1.5594 1.6631 2.0829 1.5863 1.7606 2.0322 0.6768 0.8495 0.7451 0.5188 0.6965 0.8989 0.9267 1.1015 0.7150 1.4281 1.0843 1.2009 1.9717 1.1007 1.2536 1.0496 1.1505
GMP NA 0.4143 0.0260 2.5270 0.2569 0.1340 1.3054 0.1411 0.3592 0.6716 0.0657 0.8773 4.0805 3.7126 2.0716 2.3100 0.0402 0.8834 3.9478 0.3754 0.1234 2.1577 0.3886 0.2026 0.4231 1.0423 2.9474 0.5666 0.0626 0.6280 0.7075 2.0647 0.1433 0.2673 0.1050 0.2214 0.1840 0.0368 0.5940 2.7067 0.2888 0.0983 0.1391 1.4866 3.0000 0.1726 0.9382 0.0515 1.1113 1.3410 1.2555 1.4284 0.9158
GTP 0.7591 0.3480 0.6211 0.2434 0.5668 0.9763 0.4331 0.6992 0.7346 0.4780 0.8282 0.5478 1.0834 0.7206 1.3402 1.3893 1.6538 1.0312 1.0596 1.6435 0.7845 0.7782 1.5335 1.3194 1.6543 1.2556 1.8574 1.7131 1.5616 0.9854 1.5654 1.5834 1.1685 0.7649 0.8294 1.2572 0.3625 0.8380 0.4989 0.2055 0.3946 0.7175 0.8499 1.1178 0.1665 0.4742 0.8196 0.5944 1.1673 1.9049 1.7496 2.0815 1.2883
Harmalol 0.6560 0.4501 0.3619 0.2021 0.6287 0.7616 0.6926 0.6473 0.8493 0.8103 0.7633 0.5467 1.0618 0.8892 1.0781 1.2916 1.6952 1.5254 1.5483 1.7074 1.2303 1.5775 1.8046 1.7834 1.1233 0.8839 1.1107 1.1373 1.2726 1.4354 1.5498 1.3716 1.4753 1.2380 1.2693 1.4205 0.3376 0.6277 0.4553 0.2029 0.4301 0.5770 0.6519 0.8128 0.7093 0.9015 0.7303 0.5610 1.0731 1.4102 1.2098 1.3931 1.0665
Harman 0.3541 0.2720 0.2513 0.1781 0.5169 0.8222 0.4142 0.5148 0.6894 0.5271 0.8097 0.5130 1.1874 0.9791 1.0865 0.9886 1.3948 1.4705 1.6145 1.4822 1.2261 2.0343 1.7007 1.7374 0.9730 0.6303 1.0000 0.9211 1.1330 1.0708 1.4879 1.3146 1.3763 0.8661 0.9748 1.2799 0.3063 0.4735 0.3233 0.2491 0.3089 0.4421 0.4525 0.6172 0.3729 0.6591 0.6588 0.3604 1.4707 2.9375 2.8837 3.7666 0.9248
Heptanoylcholine 0.1663 0.0858 0.1976 0.0887 0.1651 0.2597 0.8421 1.1547 0.2682 0.1657 2.7471 1.8734 0.4231 0.2519 0.8969 1.0777 0.5958 0.6748 1.1754 1.9585 0.5864 0.8796 3.5382 2.8967 0.3716 0.2009 1.0914 0.9279 0.4687 0.4569 1.9511 2.0074 0.6719 0.3626 2.6939 2.7659 0.0848 0.1802 0.7328 0.4293 0.1003 0.1443 0.8602 0.7450 0.0536 0.2379 2.5785 2.3673 1.5538 1.6421 1.7216 1.6210 1.0073
Hercynine NA 0.1361 NA 1.1298 0.2436 0.0882 1.5858 0.1503 0.4595 0.7985 0.0858 1.1378 1.8857 1.9695 1.3710 1.2043 NA 0.8987 3.4039 0.4411 0.1770 2.3238 0.4815 0.2568 0.4071 0.8680 2.3995 0.5296 0.0670 0.8262 1.0690 2.4474 0.2427 0.4127 0.1670 0.3046 0.1822 NA 0.4535 1.4986 0.2477 0.0584 0.0794 0.8759 6.6871 0.4507 2.8386 0.1600 0.7129 1.2409 1.3028 1.4129 0.8286
Hexadecasphinganine 0.7913 0.3019 0.4714 0.4129 0.4054 0.7771 0.4971 0.6846 0.5903 0.3713 0.8533 0.4921 1.3062 1.1682 0.6328 1.1167 1.6273 0.8487 1.9052 1.7324 1.0760 0.6380 1.3574 1.9027 1.2875 0.9752 1.3398 1.6806 1.8143 1.0496 1.7202 1.3762 1.5377 0.7660 1.1056 1.6759 0.2959 0.6430 0.4596 0.4347 0.3596 0.6386 0.8858 1.4518 0.4913 0.5414 0.5907 0.8871 1.2137 1.3638 1.4634 1.6238 1.3672
Hexanoic acid 1.6179 1.0647 1.0142 0.6483 0.7163 1.1597 0.3604 1.0785 1.1686 0.9452 1.2994 1.0088 0.5921 0.4483 0.3426 0.7200 0.9962 0.5991 0.7363 0.8044 0.9061 0.9556 1.3677 1.8134 0.9110 0.8952 0.5748 0.9407 1.0416 0.7584 1.0844 0.9708 2.4210 1.8988 1.6056 2.0158 0.5797 1.3286 0.8159 0.5196 0.6741 0.9311 0.9501 1.7659 0.6396 0.9009 1.3211 0.6941 2.1448 2.1437 1.8982 1.9421 1.2089
His-Leu 0.8217 0.5803 0.6052 0.3702 0.6828 0.8383 0.5855 0.7503 0.7830 0.6375 0.8076 0.7371 1.1179 0.9415 1.1918 1.3680 1.2901 1.2374 1.5074 1.7608 1.0427 0.9292 1.4023 1.2172 1.5405 0.9918 1.6333 1.3455 1.4887 1.4070 1.8315 1.7768 1.1577 0.8463 1.0477 1.2589 0.3602 0.7273 0.4919 0.2735 0.5412 0.7360 1.0092 1.2482 0.4202 0.5224 0.7008 0.5397 0.9426 1.3380 1.2654 1.2446 1.1069
Histidinyl-Threonine 0.2467 0.1972 0.1457 0.1168 0.4562 0.6808 0.4421 0.4294 0.6155 0.4405 0.5845 0.4170 1.0366 1.2148 0.8655 0.7685 1.5874 1.3767 2.6071 1.5780 1.2706 1.9598 1.5551 1.5729 0.9995 0.5493 0.9687 0.8081 1.9513 1.8002 3.1161 2.3364 1.6680 0.8578 3.0451 1.2761 0.2038 0.3895 0.2999 0.1935 0.2022 0.2641 0.3257 0.4220 0.3037 0.5196 0.6301 0.3631 1.5451 2.1698 2.3546 2.2724 0.9963
homomethionine 0.3005 0.1810 NA NA 0.4506 0.7001 0.3785 0.6109 0.6533 0.3216 0.6754 0.5670 0.9834 0.8678 1.0622 1.3474 1.7141 1.4040 1.8534 1.4945 1.2552 1.8119 1.7354 1.6077 0.9611 0.6169 1.1088 1.1000 1.3669 1.1653 1.5910 1.3162 1.5719 0.8219 1.1934 1.2524 NA 0.4962 0.4146 0.1899 0.3862 0.3101 0.4931 0.5915 0.2689 0.6290 0.7558 0.5434 0.9773 2.0280 2.4393 2.4042 1.0306
Hydroxypropionylcarnitine 1.2948 0.6940 0.9762 0.8219 0.5456 0.7470 0.6877 0.6580 0.5324 0.4125 0.7559 0.5632 1.5461 0.9992 0.9615 1.3736 1.2120 1.0280 1.9528 1.3311 0.8887 0.6422 1.1538 0.9018 1.4728 1.0314 1.7674 1.6553 1.0843 0.5947 1.0309 1.0677 0.8977 0.6546 0.6330 1.0527 0.3528 0.6946 0.7435 0.5863 0.3701 0.7635 0.8605 1.5468 0.2077 0.4749 0.6280 0.4450 2.3704 2.1513 2.1378 2.1601 0.8843
Hypoxanthine 0.1291 0.1256 0.1257 0.0655 0.4998 0.7564 0.5402 0.3771 0.5747 0.4141 0.5369 0.2468 2.2439 1.5163 2.2142 2.3535 2.9333 2.8807 3.0444 2.4507 1.7464 2.6996 1.5572 1.2216 1.1967 0.7969 1.7276 1.1117 1.1171 1.0627 1.7321 1.3508 1.1821 0.6782 0.9804 0.7382 0.2478 0.4560 0.3565 0.2672 0.2818 0.3267 0.5049 0.3302 0.2433 0.4121 0.3354 0.2219 1.3833 1.9904 2.2404 2.1470 1.0486
Ile-Ala NA NA NA NA NA 0.1864 NA NA NA NA NA NA 1.0241 1.5786 1.6192 1.1408 1.4706 0.9341 0.9354 1.3362 0.8926 0.8936 0.9750 1.0384 1.8124 1.2523 1.1164 1.0712 1.1855 0.8439 0.6311 1.0027 0.2600 0.2022 0.3714 0.2581 NA NA 0.4746 NA 0.4408 0.3102 0.5796 NA NA NA NA NA 1.3866 2.1031 2.1458 1.7705 0.7565
Ile-Ala-Pro 0.2620 1.2171 0.4426 0.5228 0.9207 0.5399 0.8925 1.0341 0.6241 0.9946 0.6843 0.2263 1.3534 1.1467 0.6908 0.8601 0.7464 0.6814 1.6673 1.0026 1.1012 0.2293 1.4642 1.2778 0.1097 1.8777 1.7307 0.6829 0.5442 2.0195 1.8938 0.8420 1.2789 1.6756 0.6066 1.3877 0.5060 0.5186 1.4806 2.6740 1.2452 0.4437 0.2493 1.7199 0.7369 0.4997 1.2781 0.9722 0.8918 1.4941 1.2319 1.2816 1.5218
Ile-Arg NA NA NA NA 0.5790 0.7093 0.4579 NA 0.4073 0.3700 0.5847 0.3091 1.1874 0.6030 0.9731 1.3204 1.3355 1.2811 1.2326 1.9235 1.5170 1.2456 1.2970 1.3556 1.0723 0.5510 1.2797 0.7154 1.2881 1.4628 1.5991 1.4386 1.1833 0.5265 0.8537 1.0332 NA NA NA NA 0.3419 0.3709 0.4269 0.4330 NA NA 0.5090 NA 1.0575 1.8835 1.5473 1.7134 1.0243
Ile-Ile 1.3665 0.9149 0.9374 0.3921 0.5006 0.8494 0.3464 0.8702 0.7771 0.5710 0.9182 0.6494 0.7447 0.4903 0.7013 1.0910 1.1254 0.7116 0.8677 1.2073 0.8051 0.7518 1.0036 1.5942 1.0693 0.8801 1.1210 1.5466 0.9769 0.5834 0.8424 0.8650 1.2670 0.9433 0.8086 1.4603 0.4413 1.1301 0.7529 0.4693 0.5539 0.9552 1.0877 1.6863 0.1394 0.4854 0.8081 0.4227 1.5393 2.7946 2.9779 3.0989 1.1063
Ile-Ile-Pro 0.9311 0.4614 0.6269 0.2710 0.6617 0.9056 0.4874 0.7238 0.6854 0.4829 0.9266 0.6019 1.0751 0.9287 1.1486 1.3316 1.2581 0.9415 1.0800 1.5561 0.6952 0.6759 1.0348 1.3482 1.6187 1.2374 1.8450 2.0971 1.2376 1.0045 1.4972 1.3694 1.2425 0.8426 0.8358 1.1968 0.4204 0.9321 0.6688 0.4118 0.4629 0.7367 0.9807 1.0543 0.2551 0.4356 0.6165 0.4412 2.7487 1.5632 1.5583 1.6868 1.1627
Ile-Ile-Pro-Val 0.1717 0.1048 NA NA 0.5653 0.6272 0.4929 0.4619 0.5351 0.4457 0.4454 0.3515 1.9501 1.8602 1.9394 1.6472 2.3036 1.8291 2.2515 1.7544 1.1379 1.6712 1.1399 0.9277 1.2500 0.9364 1.8918 1.1167 0.8064 0.9647 1.0436 0.9412 0.9355 0.5895 0.7801 0.6773 0.3426 0.5272 0.3494 0.2293 0.5419 0.6911 0.9708 1.0242 0.5499 0.6408 0.5559 0.4494 1.5948 1.8943 1.5912 1.5231 0.9777
Ile-Ile-Ser 2.0626 1.1891 0.8345 NA 0.2374 0.4763 NA 0.3065 0.6749 0.4295 1.1849 0.3387 NA NA NA NA 0.7215 0.1794 NA 0.2627 0.7681 0.6321 0.8175 1.1565 0.3124 0.1437 NA 0.1947 0.6605 0.4139 0.3230 0.2528 2.3468 1.1786 1.0840 1.5524 0.1464 0.8263 0.3577 NA 0.2875 0.9515 0.4978 0.3335 NA 0.5552 0.7996 0.3577 2.1496 4.6835 5.0359 4.6572 0.6260
Ile-Leu-Pro 0.6473 1.0690 0.7238 1.3829 0.9684 0.6703 1.0847 0.6532 0.8372 1.1176 0.6397 1.1112 1.4819 1.1066 1.0559 1.1806 0.6193 1.0726 0.8071 0.6615 0.7139 1.1814 0.7227 0.5865 0.7558 0.8697 0.8603 0.8389 0.5889 0.9418 1.0724 1.2826 0.5760 0.5955 0.6209 0.6758 0.8049 0.6469 1.1529 1.2732 0.9097 0.6365 0.6054 0.6825 1.2082 0.5921 1.1402 0.6731 2.4833 0.6397 0.8170 0.7013 0.7747
Ile-Lys-Pro 0.5998 0.5191 0.4241 0.2391 0.7074 0.9426 0.4898 0.5985 0.8448 0.6252 0.7308 0.4748 1.3769 1.0450 1.1607 1.2163 1.8708 1.4767 1.4700 1.5816 1.2675 1.7620 1.5109 1.4691 1.1290 0.8537 1.1139 1.0952 1.3558 1.4260 1.4951 1.4629 1.6550 0.9290 1.0549 1.3363 0.3611 0.6729 0.4562 0.2761 0.4351 0.6168 0.5562 0.6939 0.4244 0.8393 0.6864 0.4445 1.3586 1.6115 1.5590 1.5446 1.1528
Ile-Met-Ser 1.1674 1.1721 1.0624 1.1351 0.9997 0.9910 0.7448 1.1772 0.8912 1.0754 1.1386 1.1488 1.2370 1.0916 1.2361 0.9836 0.7895 0.8497 0.7528 0.8050 0.7865 0.8994 0.8424 0.8230 1.4722 0.9802 0.9075 1.0109 0.9964 0.9520 0.9643 1.0750 1.0272 0.9038 0.9831 0.9387 0.9609 1.0124 0.7856 0.9121 1.2716 1.5418 1.5466 2.2213 0.8431 1.3318 0.9987 1.2125 0.9706 1.2611 1.2852 1.3716 1.1085
Ile-Pro-Pro 0.4039 0.2870 0.3090 0.1439 0.5551 0.6965 0.4404 0.5162 0.6198 0.4853 0.6996 0.5090 1.2750 1.0581 1.2225 1.5626 1.8288 1.6522 1.3008 1.8167 1.2113 1.3068 1.6297 1.4345 1.3639 0.9000 1.3124 1.0811 1.5343 1.3467 1.8764 1.8412 1.3442 0.8098 1.2221 1.3010 0.2775 0.5069 0.3616 0.1823 0.4313 0.5831 0.9281 0.8443 0.2917 0.5822 0.6462 0.5218 1.3144 1.8036 1.8084 1.9356 1.0832
Ile-Pro-Ser 0.0513 0.0265 0.0405 0.0194 0.1403 0.2924 0.1533 0.1521 0.2093 0.1532 0.4116 0.1308 1.1881 0.6228 1.1804 0.8974 2.0167 1.7359 1.6332 1.6990 1.8068 2.7061 2.4572 1.9687 0.9006 0.4913 0.9735 0.7932 1.4470 1.1226 1.7165 1.5702 1.6352 0.5353 1.1266 1.3618 0.0330 0.0761 0.0967 0.0405 0.1008 0.2003 0.3361 0.1825 0.0947 0.3143 0.3992 0.1389 2.9362 4.8067 4.8061 4.8121 1.2398
Ile-Pro-Thr 1.5786 0.8434 0.8219 0.4617 0.7427 0.9122 0.3976 0.8794 1.0666 0.5859 0.9913 0.6207 1.1470 0.7601 1.1842 1.5514 1.0777 0.8368 0.8157 1.2324 0.8469 0.6905 1.2856 1.2285 1.8806 1.3346 1.7613 1.7850 1.0863 0.8717 1.2616 1.0154 1.4850 1.0624 0.8812 1.2646 0.5763 1.0399 0.7867 0.5019 0.6558 0.7886 0.9910 1.0122 0.4699 0.4316 0.7237 0.4217 0.5807 1.4789 1.5123 1.7396 1.0407
Ile-Pro-Tyr NA NA NA NA NA 0.3833 NA NA 0.2969 NA 0.3617 NA 0.5523 0.4960 0.6756 0.5578 2.0025 1.9139 1.4826 1.5319 2.0091 1.7651 2.1400 1.3316 1.0073 0.4171 0.6018 0.4766 1.1286 0.7555 1.5582 0.8235 1.1726 0.6178 1.2348 1.4378 NA 0.2072 NA NA NA 0.7045 0.4695 0.2286 NA 0.2626 0.3176 NA 1.1218 1.8972 1.7454 1.8152 0.4985
Ile-Pro-Val 0.1125 0.1077 0.2093 0.1359 0.5194 0.7959 0.6065 0.7720 0.6808 0.5778 0.7550 0.5981 1.0353 0.8900 1.1065 1.2770 1.8188 2.1018 2.0611 2.2545 2.1085 2.8192 2.4092 2.0480 0.9117 0.7210 0.8822 0.7607 1.0001 1.3144 1.4223 1.3258 1.0674 0.7974 1.2596 1.1574 0.3693 0.4947 0.5382 0.4142 0.2677 0.3236 0.4520 0.4644 0.3748 0.7210 0.6910 0.5754 1.3645 1.8204 1.6410 1.6143 1.3534
Ile-Ser NA 3.8724 0.4945 2.4042 0.4105 0.2928 0.3123 0.2322 0.4433 0.5829 0.2804 0.2617 1.4719 0.8207 2.4181 1.6601 0.1453 1.1270 1.6673 1.1772 0.6389 2.5480 1.7967 0.7478 0.8556 1.4359 2.6504 1.5848 0.2154 1.0360 1.5232 2.0514 0.2796 0.5197 0.6696 0.6685 0.2248 NA 0.4405 NA 0.6258 0.4928 0.4600 0.6734 NA 0.3238 0.9392 0.2111 0.8695 0.9389 1.3763 1.2817 0.8456
Ile-Thr 0.4124 0.3358 0.1634 0.1384 0.5446 0.7870 0.5013 0.4526 0.5892 0.5068 0.6189 0.5375 1.3084 0.8494 1.1076 1.1014 1.4288 1.4738 1.6595 1.7305 1.1333 1.7608 1.5878 1.5710 0.9399 0.7361 1.2217 1.2751 0.9413 1.0990 1.5795 1.2718 1.3470 0.7759 1.0529 1.3083 0.2716 0.4911 0.4551 0.2396 0.3617 0.4945 0.6215 0.6234 0.2281 0.7427 0.7002 0.5123 1.2752 2.9291 3.0270 2.9648 1.2136
Ile-Thr-Pro-Pro 0.4806 0.9362 0.6859 0.9688 0.5217 0.5467 0.4878 0.5584 0.5717 0.5742 0.6574 0.5351 2.5556 2.0510 1.6973 2.1357 0.6734 1.3560 2.3817 1.1753 0.4435 1.6101 0.8928 1.0493 0.9943 1.0578 1.1415 1.1595 0.6033 0.9112 0.9411 1.2155 0.8116 0.9825 0.9269 0.8204 0.4000 0.4458 0.7899 1.1483 0.6591 0.7837 1.0446 2.3188 0.5487 0.5582 1.0505 0.2202 NA 1.1605 1.3480 1.4545 0.9572
Ile-Val 0.7959 1.0194 1.0312 0.9293 1.0328 1.1354 1.1885 0.8982 1.0065 1.1938 1.1445 1.4808 1.0063 0.5289 1.1924 1.2103 1.1201 0.9755 1.0084 1.1160 1.0211 1.3557 1.1721 0.9177 1.2580 1.0855 0.9950 1.0413 0.9610 1.0468 1.1146 1.2524 1.0953 1.1192 1.2357 1.3131 0.9438 1.1952 1.0772 1.0804 0.7147 1.5046 1.1756 0.7427 0.7546 0.9672 1.2536 1.0423 0.9698 1.4234 1.1549 0.8338 1.0580
Ile-Val-Pro-Ser 1.3998 1.4856 1.3723 2.7970 0.9381 1.0805 0.7930 1.2477 1.1735 1.1096 0.8975 1.1974 0.8677 0.8898 0.7098 0.8536 0.4786 0.4940 0.5865 0.6523 0.4555 0.6605 0.5981 0.5568 1.2651 0.9306 0.6952 0.7875 0.6886 0.8780 0.6724 0.7840 0.8448 0.7929 0.7495 0.7646 1.3489 1.2179 1.1071 1.5611 1.0203 1.0397 0.8286 1.8473 1.1766 0.8426 1.0700 0.9804 1.1634 1.2064 1.0919 1.2901 1.0592
Imidazol-4-ylacetate 1.8653 0.9657 1.4292 1.2425 0.3993 0.8005 0.2914 0.8852 0.6959 0.3819 1.0768 0.5424 1.4397 0.9219 0.7554 1.2519 0.7418 0.4030 0.8683 0.7766 0.4692 0.4454 0.7239 1.4552 1.2869 0.9603 1.4498 1.6771 1.0741 0.4885 0.6192 0.7281 1.4696 1.0084 0.6945 1.5072 0.4093 1.3256 0.9119 0.8462 0.6043 1.0141 1.0653 2.2070 0.3879 0.3434 0.6016 0.4914 0.8613 1.9861 2.4362 2.4009 1.3153
Imidazol-5-yl-pyruvate 0.1523 0.1504 0.1737 0.1266 0.5245 1.0822 0.6746 0.5826 0.7119 0.4732 0.8768 0.4504 1.0286 1.3413 1.8311 1.2561 1.5138 1.8379 1.6540 1.6918 1.6272 1.9869 2.0665 1.4238 0.7953 0.6723 1.3565 0.7023 1.7878 1.6347 1.9186 1.4163 1.8439 1.0973 1.6706 1.2617 0.2891 0.4158 0.3645 0.3525 0.5222 0.6313 1.2118 0.9312 0.4370 1.1278 0.8454 0.5233 0.7962 1.0107 1.2447 0.9650 0.9212
IMP NA NA NA NA 0.1857 0.6518 0.7469 0.2711 0.3909 0.2201 0.3239 NA 0.9559 1.4083 0.4727 0.6641 1.2749 2.0687 0.8423 0.9824 2.6532 1.0664 2.1685 0.9607 0.7414 0.6838 0.7385 0.7386 1.6750 1.1243 1.3559 0.9922 0.7334 0.4204 0.7606 1.5243 NA 0.2151 NA NA NA NA 0.2718 0.2734 NA 0.7422 0.4208 0.2083 1.7681 2.1254 2.1724 2.3646 1.6409
indole-3-acetyl-valine 0.4202 0.3277 0.3237 0.3160 0.4357 0.7200 0.5172 0.6945 0.5971 0.5218 0.6600 0.4895 1.1208 1.3754 0.7678 0.9490 1.7215 1.8717 0.7781 1.5420 1.3804 1.7360 1.7999 1.5605 0.8676 0.5596 1.2821 0.9993 0.8890 1.2421 1.5503 1.4428 1.9860 1.0526 1.3562 1.1837 0.2911 0.4752 0.4068 NA 0.3142 0.5114 0.4940 0.6778 0.3637 0.6440 0.9185 0.8931 1.5854 1.9476 1.9268 2.2783 1.2342
Indoleacrylicacid 0.2975 0.2595 0.1865 0.1955 0.5179 0.7248 0.4508 0.5124 0.6202 0.5362 0.6763 0.5303 1.2572 0.9751 1.0436 1.0207 1.4131 1.4431 1.5093 1.4506 1.2549 1.9131 1.6648 1.6994 1.0627 0.6770 1.1329 0.9468 1.1424 1.1496 1.3453 1.2626 1.3825 0.8242 1.0107 1.1529 0.3010 0.4942 0.3701 0.2593 0.3591 0.4555 0.5144 0.6952 0.4282 0.6287 0.6587 0.4972 1.6671 2.9426 3.2034 3.2772 1.0058
Indolelactate 2.3863 2.2363 1.9352 2.0769 0.6430 0.8670 0.4289 0.7280 0.6994 1.1205 0.5658 0.6639 0.8253 0.8883 0.5363 0.7744 0.6318 0.5947 0.6958 0.6036 0.8816 1.1274 1.1038 0.7014 1.1930 0.5538 1.3773 0.5699 0.8333 0.7546 0.7161 0.7704 1.7025 1.4575 1.1411 1.2997 0.7451 1.1543 0.7989 0.5020 0.8551 1.1294 1.2047 1.3573 0.4858 1.0779 0.9418 1.4045 0.7069 0.9724 1.0285 1.2773 1.2734
Indolepyruvate 0.7444 0.8531 1.0048 0.9123 0.8068 0.9164 0.8361 0.8238 1.0706 0.9024 0.9593 0.8741 0.7580 0.7610 1.0282 0.9406 0.7957 0.9399 0.9165 1.0558 0.7324 0.9675 1.1141 1.4728 0.9849 0.9350 0.9250 0.9644 0.8909 0.9249 0.9966 0.7416 1.3652 1.1601 1.1366 1.5174 0.8521 1.0607 0.9098 0.8491 0.7688 0.7744 0.8182 1.6186 0.7567 0.9209 1.0076 0.7797 0.9664 1.6242 1.6646 1.6046 1.2944
Inosine 0.6625 0.4606 0.5595 0.5084 0.5054 0.5314 0.3975 0.4113 0.6729 0.4692 0.8365 0.5469 0.8317 0.6499 1.0223 1.2460 1.2542 0.8989 1.3322 1.5832 0.6944 0.6217 1.3416 1.3516 1.5781 1.2095 1.6400 1.6564 1.0683 0.7329 1.0671 1.1602 1.1381 0.8953 0.6961 1.0628 0.4550 0.7492 0.5616 NA 0.5321 0.7957 0.8108 1.6864 NA 0.6458 0.5840 0.7816 1.7097 2.2454 2.5874 2.3228 1.2379
Jubanine B 0.3000 0.3061 0.3818 0.1987 0.3630 0.5669 0.3811 0.4215 0.4215 0.2868 0.4018 0.3328 2.4942 1.4815 2.1872 1.8633 1.3745 1.4477 1.4702 1.3492 0.8395 1.0972 1.0452 0.9039 1.4542 0.8974 1.9510 1.3707 0.8494 0.7180 1.0310 0.9993 0.6173 0.4146 0.5589 0.5591 0.2920 0.3719 0.4466 0.2740 0.4330 0.6713 1.0768 1.1292 0.1977 0.3685 0.3586 0.2047 1.7100 3.5783 3.4411 4.1248 0.9848
L-2-Aminoadipate 6-semialdehyde 0.6940 0.4154 0.4468 0.2897 0.6261 1.0497 0.6133 0.8172 0.9119 0.5437 0.8641 0.5110 1.0036 1.1903 1.1728 1.2507 1.8721 1.9949 1.2269 1.8557 1.8757 1.4613 1.5982 2.0229 1.0724 1.0027 1.1876 1.3957 1.6837 1.3478 1.7263 1.5632 1.6121 1.0475 1.0818 1.3645 0.4879 0.5192 0.5348 0.3633 0.5266 0.7010 0.7708 0.9070 0.6096 1.1733 0.8157 0.8116 1.1924 1.2760 1.3682 1.3831 1.1827
Laccarin NA 0.3574 0.0852 1.5552 0.7708 0.7556 1.2232 0.4436 0.5685 1.9619 0.8949 2.4913 0.9104 2.8435 0.8429 0.7883 0.5396 1.0116 1.7473 0.4496 0.1227 0.9546 1.0068 1.0823 1.3113 0.6896 1.1393 0.4862 0.0843 0.5456 0.6415 0.8925 0.7327 0.9344 0.8460 0.7497 0.4363 0.2377 0.5968 1.4748 0.6437 0.4968 0.3138 0.7081 2.8667 0.7117 2.2471 0.9227 2.6801 1.4453 1.5058 1.3156 0.9366
L-Alanine 0.7095 0.5807 0.4102 0.2728 0.4632 0.7411 0.4558 0.6212 0.7489 0.5476 0.7836 0.5933 0.8574 0.7626 0.8027 0.7310 1.1059 1.2094 1.3282 1.1270 1.4168 1.7366 1.7076 1.5750 1.0589 0.7917 1.0994 0.9463 1.2193 1.1697 1.6484 1.6782 2.0841 1.1204 1.4033 1.7228 0.3999 0.6512 0.5186 0.3044 0.4878 0.5572 0.6505 0.9407 0.4170 0.6399 0.7935 0.5550 1.4005 2.1345 2.0987 2.0875 1.1322
L-Arginine 0.4057 0.2202 0.2521 0.0858 0.4875 0.7661 0.3498 0.4927 0.6736 0.4247 0.6854 0.3961 1.1401 0.8544 0.9864 1.1239 2.2758 2.0602 1.3237 1.8828 2.4592 1.7269 2.3050 2.2080 1.3284 0.7790 1.1190 1.1438 1.7294 1.2599 1.6885 1.3158 1.7460 0.8929 1.4000 1.4568 0.2422 0.5065 0.2632 0.1199 0.3753 0.4957 0.6430 0.5016 0.2693 0.7365 0.5471 0.4744 1.1436 1.3563 1.3997 1.4196 1.0605
L-Aspartate 0.4860 0.4102 0.3622 0.2076 0.7230 0.8612 0.5074 0.6021 0.7928 0.6000 0.7483 0.4765 1.1321 0.9647 1.0813 1.1393 1.8542 1.6714 1.5774 1.6152 1.5423 1.5139 1.7416 1.5885 1.1480 0.8521 1.1342 1.1480 1.4793 1.4270 1.6141 1.5734 1.7854 0.9656 1.2968 1.2874 0.3816 0.6385 0.4323 0.2910 0.4397 0.5641 0.5692 0.6048 0.5162 0.8560 0.7867 0.5199 0.9666 1.4355 1.4436 1.6125 1.0311
Lauroyl diethanolamide 1.3679 0.6771 0.8529 0.5361 0.5946 1.0074 0.7540 0.8222 0.6703 0.4857 0.7041 0.7569 1.0047 0.8646 1.0199 0.9873 1.2659 1.1577 0.9763 1.0753 1.5865 1.2194 1.5788 1.4992 1.1935 1.0118 0.8458 0.8516 1.2513 0.9644 1.0976 1.3570 1.0828 0.7763 0.7478 1.0660 0.4898 0.9672 0.5189 0.2699 0.5356 0.6655 1.1874 1.1830 0.5606 0.6956 0.5633 0.6444 1.1996 2.3323 2.2865 1.9894 1.2007
L-beta-aspartyl-L-leucine 0.9762 0.9721 1.1121 3.6416 0.8657 0.7528 0.5706 0.6873 1.3385 1.3805 0.7106 1.1361 0.9271 0.8148 0.8734 0.6155 0.5549 0.9787 1.2504 0.6787 0.6303 1.1870 0.7040 0.5783 1.1007 0.9513 1.0184 0.8091 0.7139 1.4821 0.8574 1.2100 1.1263 1.1883 0.8257 0.7955 0.8027 0.5494 0.9927 1.4303 0.9250 0.7036 0.6162 2.4392 1.7446 0.7264 0.9222 0.5348 0.8885 0.8979 0.8873 0.9165 1.0065
L-beta-aspartyl-L-threonine NA NA NA NA 0.6187 0.8436 0.4413 0.2962 0.4498 0.4510 0.3880 0.5060 1.1548 1.1413 0.9243 0.9095 1.7657 1.4032 0.7973 1.3613 1.7200 1.4081 1.5098 1.3269 0.9882 0.6709 1.1913 0.7673 1.9835 1.4480 1.6820 1.6348 1.5857 0.6573 1.1039 1.3604 0.2990 0.3628 0.2216 NA 0.3111 0.2619 0.6586 0.3613 NA 0.5998 0.5774 0.4956 1.2277 2.1795 1.9607 2.0307 0.9621
L-Carnitine 0.5779 1.3562 0.6082 0.9616 1.1000 0.4827 0.7949 0.7990 0.8875 1.1814 0.7948 0.9950 2.1223 1.2935 1.0531 0.6958 0.7666 0.4460 1.7864 1.3838 0.9849 0.4667 0.9394 1.3513 0.3238 1.9932 1.3390 0.9477 0.7345 1.5359 1.6137 0.8215 1.3859 1.4076 0.8988 1.2011 0.5287 0.8206 1.3144 1.9703 1.4867 0.6660 0.4347 2.5424 1.2303 0.8593 0.7686 1.1858 0.4872 0.6890 1.0441 1.4392 1.2766
L-Citrulline 0.5316 0.2978 0.3842 0.1413 0.4695 0.8474 0.5365 0.5700 0.6232 0.5095 0.8097 0.5741 1.2905 0.9504 0.9340 0.8687 1.6621 1.5820 1.3076 2.1275 2.1350 1.8531 2.0432 2.3826 1.3908 0.9505 0.8901 1.2527 1.7290 1.1499 1.4109 1.2728 1.2923 0.8042 1.0976 1.3862 0.3712 0.6793 0.5488 0.1548 0.3605 0.4854 0.8551 0.9663 0.3371 0.6553 0.6098 0.5746 1.4390 1.4342 1.1863 1.1976 1.0861
Leucyl-Histidine 0.6204 0.3837 0.3614 0.2112 0.6106 0.9428 0.4346 0.6046 0.7834 0.5021 0.7500 0.5630 1.0100 0.9358 0.8252 0.8706 1.5494 1.4739 1.2732 1.3929 1.6041 1.4914 1.7257 1.5807 1.0432 0.7668 1.0616 0.9058 1.5362 1.1555 1.4964 1.2093 1.7789 1.1069 1.3342 1.4377 0.3620 0.7060 0.4166 0.2374 0.3770 0.3200 0.4951 0.5304 0.3481 0.8089 0.7380 0.4826 1.4238 2.3902 2.5319 2.4769 1.0220
Leucyl-Hydroxyproline 0.3909 0.2777 0.3176 NA 0.9074 1.0133 0.4174 0.4070 0.6745 0.5185 0.8662 0.5175 1.2657 1.2960 0.9916 0.6453 1.5756 1.0790 0.7454 1.3531 1.3937 1.5236 1.9903 1.5316 1.3549 1.0941 1.0718 0.4576 1.4265 1.0512 1.4219 1.1280 1.8483 1.2307 1.3375 1.3728 0.4250 0.5061 0.7500 0.3112 0.4971 0.8025 0.9040 0.2610 0.3267 0.8075 0.9627 0.7283 1.3663 2.1429 2.4606 1.1587 1.0950
Leucyl-leucine 0.3260 0.1573 0.5593 0.1721 0.1666 0.5870 0.7403 0.4966 0.6497 0.1770 0.2916 0.2449 1.2097 2.1021 1.3625 1.5617 1.0874 2.3401 2.2912 1.6510 2.7021 1.0002 2.4951 1.7044 1.0572 0.9345 1.3496 1.3556 1.3589 1.3905 2.0166 1.2106 0.4317 0.3180 0.5800 1.2719 0.1100 0.1177 0.1025 0.2190 0.3224 0.3783 0.6071 0.6520 0.1394 0.7363 0.5974 0.3744 0.3830 2.2605 2.5128 2.3109 1.8253
Leucyl-Threonine 0.4808 0.4139 0.3326 0.2245 0.6067 0.6320 0.5316 0.5229 0.8045 0.5821 0.7993 0.4809 1.2289 0.7787 0.9429 0.9022 1.3247 1.0759 1.2423 1.6440 0.8300 1.8347 1.5547 1.7264 1.0328 0.7208 0.9836 1.0659 1.1141 0.9639 1.2914 1.2063 1.7333 0.8117 0.7840 1.2841 0.1891 0.5746 0.4520 0.3395 0.4254 0.4870 0.6822 0.5900 0.4633 0.7309 0.8124 0.4388 1.6587 3.2803 3.1049 3.0471 1.2345
leu-FMDP NA 1.0541 0.1013 4.1821 0.4094 0.2836 2.4154 0.3200 0.5849 1.4174 0.2090 1.6828 2.8273 2.9398 1.4163 1.4112 0.0549 0.6710 3.5436 0.3884 0.1830 1.9991 0.4220 0.3346 0.2987 0.7191 1.6657 0.4296 0.0743 0.5191 0.4972 1.2825 0.1770 0.2834 0.1737 0.2238 0.2704 0.0997 0.7846 3.0292 0.3579 0.1271 0.2168 1.1094 3.5923 0.2003 0.7682 0.0843 1.0587 1.3990 1.3771 1.2796 1.0503
Leu-Gly-Pro 0.3612 1.6307 0.5622 0.3476 1.2765 0.7305 0.5995 1.2222 0.6836 1.0056 0.6311 0.5057 0.7555 0.6822 0.4147 0.6965 0.4946 0.3715 0.8287 1.5858 1.1832 0.3478 1.5032 1.9613 0.1378 1.5852 1.6118 0.9707 0.5707 2.0749 2.0007 1.3933 1.5254 1.8807 0.5409 1.6309 0.5422 0.5646 1.7225 0.9581 1.6228 0.3643 0.2537 3.6238 0.5484 0.3526 1.1599 1.5477 1.1981 1.0244 1.0092 1.0820 1.0945
Leu-Pro-Pro 0.0680 0.0414 0.0605 0.0232 0.3100 0.4656 0.2452 0.2585 0.5217 0.2903 0.5203 0.2415 1.2111 0.7821 0.7989 1.0007 2.0586 2.1887 1.5191 1.6323 3.3095 2.6339 2.6791 2.1600 0.7571 0.4351 0.7861 0.6390 1.4746 1.2354 1.5964 1.1918 1.7297 0.8206 1.4682 1.4193 0.1052 0.1971 0.1163 0.0589 0.1563 0.2581 0.3539 0.2521 0.2212 0.5966 0.3653 0.2613 1.1909 2.9829 3.3232 3.0460 0.9405
Leu-Val-Pro 0.2829 0.7003 0.4150 0.9298 0.6340 0.6383 0.9590 0.6227 0.6576 0.6639 0.4497 0.6566 2.1868 1.5301 1.8810 1.6802 0.5281 1.2834 2.3636 1.1490 0.5963 1.5829 1.0693 0.9640 1.1935 1.5427 2.2533 1.4567 0.6504 1.3732 1.3680 2.0322 0.5838 0.5534 0.6712 0.8012 0.4787 0.3442 0.7849 1.0169 0.6107 0.4983 0.7389 2.1519 0.9418 0.2521 0.9517 0.3114 0.6434 1.1897 1.0228 1.1563 1.0021
L-gamma-glutamyl-L-isoleucine 0.3209 0.1549 0.5506 0.1694 0.1640 0.5778 0.7288 0.4889 0.6396 0.1743 0.2870 0.2411 1.4061 1.9603 1.4377 1.5374 1.0705 2.3037 2.2555 1.6253 2.4056 0.9847 2.8055 1.7148 1.1735 0.9199 1.5896 1.5265 1.2432 1.3688 1.9852 1.1918 0.4250 0.3131 0.5709 1.2520 0.1083 0.1158 0.1009 0.2156 0.3174 0.3724 0.5977 0.6419 0.1372 0.7249 0.5881 0.3686 0.3770 2.2253 2.4737 2.2749 1.7968
L-Glutamate 0.6405 0.3874 0.3316 0.2186 0.5400 1.0031 0.3472 0.6051 0.7189 0.5826 0.8422 0.5834 1.3645 0.8232 1.2915 1.3950 1.2408 1.4872 1.3525 1.5962 0.7973 0.9383 1.1725 1.5291 1.5525 0.9046 1.6816 1.4370 1.2377 1.1789 1.5676 1.2746 1.5283 0.6701 0.8952 1.2266 NA 0.7607 0.6356 0.2085 0.2806 0.5778 0.8284 0.9546 NA 0.3024 0.6242 0.2620 1.3716 1.9740 2.2575 1.8731 1.1455
L-Glutamate 5-semialdehyde 1.3267 0.8358 0.9566 0.5397 0.5888 0.8094 0.6138 0.6689 0.9362 0.5130 0.8202 0.4910 1.0003 0.8089 1.2087 1.3168 1.1807 0.9170 0.8026 1.4264 1.0985 0.7158 0.9051 1.5088 1.9000 1.3640 1.5761 1.6561 1.4104 1.2001 1.3488 1.2108 1.1436 0.8835 0.7718 0.9736 0.4431 0.6641 0.4747 0.2595 1.1506 1.5583 1.4564 1.5070 0.5175 0.8649 0.7880 1.0037 0.9888 0.9380 0.9121 0.8934 1.1516
L-Glutamate methylester NA NA NA NA 0.4541 0.6129 0.5521 0.8234 0.6696 0.5941 0.8011 0.5348 0.7115 0.6782 0.6444 0.7316 0.9905 1.2615 1.1963 1.5382 1.0188 0.9233 1.3152 1.1492 0.8621 0.6392 0.7879 0.8782 1.6006 1.6141 1.8947 1.3635 1.2302 0.7524 1.0267 1.3675 NA 0.2608 NA NA 0.2421 0.4623 0.6597 0.7957 0.2362 0.6700 0.5994 0.7116 3.0309 1.5541 2.0269 2.3792 1.1534
L-Glutamine 1.0795 0.5655 0.6091 0.2878 0.6293 0.7601 0.4416 0.6357 0.6091 0.4165 0.8891 0.4648 1.0636 1.1582 1.2493 1.4334 1.7437 1.6251 1.3015 1.8643 1.8865 0.7921 1.4433 1.4151 1.4184 1.1041 1.5370 1.5607 1.4772 1.1909 1.7623 1.4885 1.2358 0.6842 0.9291 1.0540 0.4733 0.8178 0.5609 0.3016 0.4581 0.6798 0.9050 0.8057 0.2902 0.4447 0.5022 0.3504 1.7488 1.3183 1.0710 1.1819 1.2839
L-Histidine 0.3227 0.2512 0.2213 0.2065 0.5296 0.7195 0.7190 0.5315 0.6801 0.4897 0.6822 0.4598 1.3072 0.8896 0.9780 1.0446 1.7662 1.9328 2.2486 1.6834 1.5772 2.0603 2.0901 1.8076 1.0651 0.8531 1.4707 1.0945 1.5641 1.4310 1.9914 1.9605 1.8429 0.9331 1.3279 1.4849 0.2511 0.4709 0.3768 0.3349 0.2847 0.3509 0.4146 0.6336 0.5610 0.3625 0.5556 0.2677 1.8046 2.3227 2.3586 2.3205 1.1070
Linatine 0.6461 0.4927 0.3634 NA 0.2940 0.6131 NA 0.3981 0.6142 0.1911 0.5997 0.2777 1.2338 0.8247 0.9937 0.9473 1.9760 1.4708 0.9680 1.5745 2.0432 1.2921 2.4179 1.7816 1.3033 0.6494 1.2118 1.0198 0.9789 0.7843 1.1908 0.4871 1.2696 0.6665 0.8561 1.1142 0.1837 0.4351 0.3417 0.1645 0.3302 0.5503 0.5504 0.9080 NA 0.3496 0.3641 0.2015 1.2311 3.2565 3.4196 3.1535 1.0150
L-Isoleucine 1.8281 1.3484 1.1655 1.2811 0.5072 0.8109 0.3028 0.7512 0.7909 0.4863 1.0468 0.6546 1.4981 0.9795 0.9768 1.2629 0.7921 0.4974 0.9126 0.7782 0.6569 0.6741 0.7901 1.2485 1.3688 1.2471 1.4578 1.6256 0.9103 0.5768 0.6954 0.8524 1.3605 0.9400 0.6593 1.2327 0.4896 1.1690 0.9755 0.8881 0.7656 1.0549 1.1825 1.6574 0.3660 0.3279 0.6735 0.3146 1.1276 1.9577 1.9046 1.9583 1.2199
L-isoleucyl-L-proline 0.3227 0.4378 0.3386 0.4022 0.5747 1.0040 0.7720 0.8373 0.7664 1.2380 0.7287 0.7016 1.5386 1.5709 1.2557 1.3418 0.7622 1.1435 2.1137 1.2254 0.7587 1.6249 1.1648 1.0489 1.5390 0.8292 1.3688 0.8690 0.7855 1.3369 1.4457 1.6355 1.2718 1.2333 1.4294 1.1004 0.8287 0.5925 0.7835 0.8343 0.4932 0.4899 0.6839 1.7539 1.1243 0.9326 1.1267 1.0775 1.1724 1.3433 1.4221 1.4475 1.2543
Lithocholate3-O-glucuronide 0.4668 0.3252 0.5189 0.3363 0.2783 0.3633 0.2085 0.1725 0.2067 0.1694 0.1937 0.0777 2.3752 1.7902 2.1594 2.1728 2.2826 2.1112 1.6174 1.5435 1.0731 1.2374 0.8184 0.7757 2.0395 1.3592 2.0031 1.4080 0.9657 0.8573 1.1514 1.0383 0.5879 0.2629 0.3616 0.4760 0.1891 0.2853 0.2274 0.1802 0.4848 0.7859 0.7382 0.7330 0.1914 0.2950 0.2637 0.2335 1.8191 3.2353 3.4995 3.0895 0.9640
LL-2,6-Diaminoheptanedioate 1.2369 0.5780 0.4302 0.4520 NA 0.4422 NA 0.4872 0.4979 NA 0.6897 NA 0.5738 0.5759 0.7374 0.7199 1.2802 1.1456 1.2867 1.3642 0.6609 0.7968 1.3955 1.7384 0.6671 0.5655 0.9304 2.2283 0.6706 0.5298 0.7911 1.3553 1.1662 0.5704 1.1424 1.2319 NA 0.9076 NA NA NA 0.6192 0.7943 0.7146 NA NA 0.5412 NA 0.4970 2.4320 2.9475 2.5897 1.0184
L,L-Cyclo(leucylprolyl) 0.9220 1.0142 0.7176 1.5282 0.6626 0.8759 0.5721 0.8866 1.3589 1.2585 1.0399 1.3487 1.0325 0.8847 0.5286 0.9146 0.6650 0.7604 2.2736 0.6466 0.5799 1.7062 1.3266 1.1831 0.7399 1.0277 0.6758 0.8960 0.7213 0.8111 0.9543 1.2783 1.4657 1.5018 1.1853 1.5265 0.4330 0.6252 0.6644 1.1182 0.5868 0.8044 0.7211 2.2293 1.2654 0.7041 1.5375 0.5829 0.4061 1.1977 1.2706 1.3569 1.0146
L-Leucine 0.6319 0.6258 0.5664 0.3622 0.7255 0.9387 0.5888 0.7852 1.0270 0.7739 0.8604 0.6228 1.4380 1.1871 1.1011 1.3343 1.1958 1.3118 1.2306 1.2307 1.1481 1.4369 1.3761 1.3517 1.0566 0.8340 1.1344 0.9778 1.3453 1.3589 1.4007 1.4098 1.4761 1.3127 1.3737 1.3155 0.4230 0.7008 0.4884 0.3108 0.5786 0.7156 0.8427 1.4357 0.7339 1.2271 1.1405 0.8510 1.0114 1.1718 1.1597 1.1540 1.2058
L-Lysine 0.3950 0.3005 0.2693 0.2018 0.5223 0.8322 0.4701 0.5587 0.7347 0.5935 0.7632 0.5307 1.2970 1.0046 1.0447 1.1661 1.6725 1.4239 1.7696 1.6843 1.3410 2.1478 1.8231 1.7596 1.0661 0.7420 1.1111 1.0421 1.2963 1.2781 1.7097 1.5660 1.7065 0.9864 1.2087 1.5225 0.2880 0.5359 0.4277 0.2719 0.2948 0.4421 0.5363 0.7080 0.4307 0.7143 0.7847 0.4883 1.6980 3.1888 3.2210 3.1280 1.2834
L-Lysine 1,6-lactam 0.2874 0.2744 0.3239 0.3033 0.6325 1.0819 0.7644 0.6776 0.7942 0.5172 0.9345 0.5394 1.0960 1.3884 1.8259 1.2173 1.5193 1.7080 1.6067 1.6569 1.6079 1.9963 2.0052 1.4986 0.8634 0.7180 1.4116 0.8622 1.8056 1.7892 1.7879 1.3246 1.9446 1.1784 1.6136 1.2934 0.3757 0.4394 0.4373 0.4931 0.6635 0.7425 1.3031 0.9314 0.5448 1.2176 0.9888 0.6287 0.9842 1.0850 1.1325 1.1140 1.0463
L-Methionine 0.1193 0.0991 0.1451 0.0541 0.5324 0.4862 0.6618 0.4765 0.4937 0.2534 0.5659 0.2415 1.0547 0.8897 1.8308 2.1588 2.2886 2.6095 2.2945 2.1357 1.6197 1.7577 1.1847 1.2717 1.4466 0.8588 2.7844 1.8898 1.7629 2.0574 2.8761 2.3069 1.3486 0.6555 1.2243 1.1038 0.2421 0.2094 0.2373 0.1051 0.2849 0.4603 1.0650 0.5502 0.1622 0.8440 0.3598 0.1924 0.5807 0.8600 0.8022 0.8426 0.6481
L-Methionine S-oxide 0.4727 0.3550 0.3099 0.1552 0.3321 0.5997 0.2478 0.3562 0.5551 0.3564 0.5732 0.3776 0.6985 0.5021 0.6551 0.6702 1.1147 0.8809 0.9095 1.1297 0.8584 1.2442 1.3082 1.1285 1.0062 0.6740 1.1058 0.9823 1.8053 1.2386 1.9776 1.5309 1.6885 0.7274 1.2432 1.4625 0.1559 0.4077 0.1589 0.2255 0.3134 0.3741 0.4696 0.5265 0.2756 0.5586 0.7580 0.4458 2.0545 4.7506 4.6836 4.7098 0.8989
L-N2-(2-Carboxyethyl)arginine 1.7087 1.2835 1.1872 0.6257 0.5978 0.8812 0.4126 0.8476 0.9690 0.6926 0.9464 0.7395 1.0132 0.8505 0.8630 1.1009 0.9615 0.7856 0.7620 1.0783 0.9465 0.6662 1.1230 1.3667 1.3972 1.0686 1.4217 1.5569 1.1987 0.8440 1.1266 0.9759 1.3370 1.1291 0.9139 1.1802 0.6032 1.2518 0.7122 0.5762 1.0107 1.0250 0.8363 1.4321 0.6252 0.7570 0.9241 0.8926 0.6480 1.3153 1.5391 1.2583 1.0339
L-Ornithine 0.4529 0.2444 0.4033 0.3351 0.7377 1.3371 0.5948 0.9257 0.7004 0.9326 0.8564 0.6362 1.0248 1.0339 1.2434 0.8975 1.0439 1.0069 1.2045 1.3505 1.3695 1.5798 1.4657 1.5217 1.5064 0.9259 1.3121 0.9784 1.3940 1.4556 1.4743 1.2733 1.4064 1.2215 1.6626 1.3547 0.5787 0.5964 0.7390 0.4726 0.4941 0.4653 0.7363 0.8952 0.5340 0.9697 0.9095 1.0164 0.8530 1.1705 1.2244 1.1110 1.3699
L-Phenylalanine NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA 0.7046 0.8758 0.9565 1.1892 1.2738
L-Proline 0.8644 0.5946 0.6109 0.3364 0.6534 0.6928 0.6415 0.7065 0.7987 0.5421 0.8974 0.7737 1.0459 0.8782 1.1957 1.7376 1.0085 1.0200 1.1348 1.6016 0.7535 0.8894 1.2892 1.3277 1.9505 1.3029 2.4735 1.8886 1.0907 1.0244 1.4111 1.5113 1.2460 1.0572 0.9822 1.3777 0.4637 0.6745 0.6468 0.4240 0.5331 0.7093 0.9805 0.9324 0.2794 0.5898 0.8889 0.6202 1.0469 1.2124 1.3973 1.2595 1.0304
L-Serine NA NA 0.1961 NA 0.1403 0.4800 0.4955 0.5387 0.4910 0.1177 0.9698 0.5647 0.7411 0.7457 1.1932 0.8650 1.3574 0.9363 1.3885 1.3944 2.4300 2.0472 3.1217 2.6440 0.7268 0.3579 0.9700 0.6974 1.0320 0.8499 1.6837 1.2521 1.1501 0.7533 1.8561 1.5295 NA 0.2265 0.4332 0.2462 0.1669 0.3578 0.4888 0.5708 0.1828 0.4967 0.8404 0.9970 1.4565 1.9419 1.9485 2.0800 0.8490
L-Threonine 0.3634 0.2804 0.2491 0.0923 0.5049 0.6972 0.3429 0.4283 0.5930 0.4768 0.6337 0.4044 1.0346 0.7513 0.8638 1.0711 1.5489 1.4527 1.3207 1.3689 1.3284 1.7478 1.6367 1.3745 1.0106 0.6371 1.0631 0.9327 1.2563 1.2655 1.5346 1.3680 1.6039 0.8409 1.2645 1.3913 0.2449 0.4805 0.3679 0.1836 0.3247 0.4538 0.4951 0.4359 0.2812 0.6764 0.6206 0.4149 2.0365 3.2912 3.3680 3.5076 1.0831
L-Tryptophan 0.9060 0.5384 0.5445 0.2493 0.6208 0.8395 0.4027 0.7664 0.7813 0.5323 0.8088 0.5826 1.0994 0.8243 1.0664 1.4526 1.4176 1.0976 1.0441 1.3705 0.7671 1.0099 1.5353 1.3168 1.7872 1.1236 1.9070 1.7953 1.1732 0.9559 1.3747 1.3444 1.5385 1.0088 0.8926 1.1666 0.4413 0.8935 0.6685 0.3598 0.4967 0.7883 0.7741 0.8792 0.2726 0.4756 0.6190 0.4213 0.5565 2.3140 2.1429 1.9336 1.3212
L-Tyrosine 0.3359 0.2579 0.2383 0.1689 0.4902 0.7797 0.3928 0.4883 0.6538 0.4999 0.7679 0.4865 1.2320 0.9285 0.9175 0.9944 1.3228 1.2291 1.5311 1.4056 1.1351 1.7016 1.6129 1.2804 1.0398 0.7166 1.1650 0.9100 1.1802 1.1332 1.4110 1.3335 1.4773 0.7353 1.2036 1.2148 0.2904 0.4477 0.3583 0.2706 0.2892 0.4193 0.4794 0.6267 0.3700 0.6918 0.6678 0.4096 1.6697 3.3728 3.5939 3.5721 1.0990
L-Tyrosine methyl ester 1.2649 0.9753 0.7528 0.3061 0.8121 1.1862 0.2537 0.5441 0.4285 0.2941 1.3411 0.6923 1.0791 0.9726 1.1326 1.7436 1.2807 0.9391 1.0177 1.6256 0.6050 0.4713 1.0496 1.2485 1.6430 1.2418 2.0154 1.9947 1.3889 0.6420 1.3741 1.3045 1.2214 0.8559 0.4144 1.1438 0.3643 1.1279 0.7489 0.2301 0.7663 1.1870 1.2115 1.4953 NA 0.2772 0.4333 0.3451 0.9166 1.4357 1.5633 1.2997 1.3412
L-Tyrosyl-L-arginine 1.1301 1.7947 1.2189 2.2970 0.3484 0.8074 0.5927 0.3289 1.3715 1.4156 0.7685 1.0812 1.1630 1.0663 0.9599 1.1082 0.6454 0.9981 1.2614 0.6622 0.7133 0.4244 0.2638 0.2744 1.1784 0.9221 0.8750 0.7823 0.8022 1.3930 0.8510 1.1876 1.3273 1.2438 0.9273 0.7926 0.7909 0.6814 1.0576 1.1339 1.0903 0.7125 0.6260 2.6573 1.4250 0.7565 1.0225 0.6169 1.4639 0.9781 1.1106 0.9084 0.9902
L-Valine 0.2401 0.1129 0.2498 0.1610 0.1522 0.2033 0.7854 0.3689 0.2209 0.1439 0.9986 0.9485 0.7284 0.5254 1.1193 1.2723 1.4499 1.1357 1.7245 2.2839 1.4124 1.4589 2.8304 2.9301 0.5173 0.4087 1.5360 0.6297 0.9418 0.7996 2.7308 1.9174 0.7675 0.3023 3.1348 2.6274 0.1213 0.2292 0.6916 0.0946 0.1279 0.1445 0.3921 0.5987 0.1154 0.2854 2.3199 1.7688 1.3938 1.9900 2.1423 2.4670 1.2796
Lys-Gly 0.5644 1.5432 1.3189 1.1223 0.7538 1.0234 1.5713 1.1974 1.5816 0.1494 0.7929 2.4213 0.4398 1.0409 1.5180 1.5665 1.4384 0.6619 1.0293 1.7976 0.1938 0.7310 0.2667 0.9085 0.0411 1.4153 0.7418 2.0129 2.3811 0.3350 0.5466 1.4627 1.5106 0.2299 1.2381 0.6039 0.0228 0.4324 0.4213 0.2794 1.4841 1.1094 0.1212 0.7353 1.1094 1.8785 2.1998 0.8338 0.9538 0.9811 1.0505 1.1106 1.1173
[LysoPC(14:0)] 1-tetradecanoyl-sn-glycero-3-phosphocholine 0.3692 0.2264 0.2339 NA 0.3901 0.5368 0.2023 0.3429 0.6095 0.3540 0.4640 0.2843 0.9612 0.8839 0.7259 0.9012 1.7971 1.8185 1.0449 1.6745 1.6118 1.5930 1.7733 1.9930 1.0303 0.6860 1.0426 0.7553 1.3283 0.9968 1.2363 0.9164 1.6283 0.6611 1.0791 1.3063 0.2392 0.4408 0.2215 0.1021 0.2991 0.3268 0.5286 0.4791 0.1598 0.4169 0.4246 0.3696 1.3403 3.8070 4.4693 4.0073 0.9094
LysoPC(16:0) 1.0492 1.0789 0.6941 0.6689 0.9578 0.8139 0.9907 0.8835 0.9522 1.4364 1.0355 1.0481 0.9254 0.8971 0.7518 0.6926 0.6341 0.4760 0.2384 0.5212 0.3192 0.4917 0.7140 0.8785 2.3618 2.0087 0.6978 1.3065 0.9309 1.0564 0.8395 0.9087 1.0760 1.6003 1.0975 1.1927 0.9995 0.9570 1.0053 0.7087 1.1754 1.6675 1.6385 1.7866 1.0018 1.3489 1.4781 1.6113 0.4928 0.5462 0.6863 0.6065 1.0636
LysoPC(18:0) 0.3282 0.3298 NA 0.2944 0.3579 0.7229 0.3142 0.5115 0.3607 0.2965 0.3747 0.2565 1.5734 0.8896 1.5274 1.2912 1.6245 1.2124 1.7270 1.5106 1.2001 1.4723 1.4673 1.6031 1.9108 1.2937 1.6896 1.3953 0.5009 0.7827 1.2409 0.9790 0.8171 0.4211 0.8116 0.9382 NA 0.2904 0.5229 0.5737 1.7081 1.5613 1.5517 1.4544 0.3886 1.0671 0.6906 0.8050 0.1508 2.1113 1.8876 1.8396 1.2521
LysoPE(18:1) 0.5698 0.3872 0.3038 NA 0.2191 0.7823 NA 0.2840 0.4377 0.2862 0.6808 0.2394 0.9869 0.5766 0.5291 0.8185 1.5792 1.0750 1.1185 1.1281 1.0402 1.4768 1.6555 1.4901 0.7610 0.4724 0.6565 0.8391 0.9020 0.7720 1.3063 0.9823 1.5424 0.6223 1.0501 1.2079 NA 0.5335 0.2903 NA 0.2763 0.5914 0.3896 0.6381 NA 0.3750 0.4192 NA 2.0938 3.8628 3.8162 3.9412 0.9936
Lys-Pro 0.0495 NA NA NA 0.0467 NA 0.4810 0.1258 0.1531 0.0372 0.0955 NA 1.6675 3.0211 2.0080 2.2653 2.3532 3.9198 2.4758 1.9076 1.6562 1.2678 0.3899 0.4298 0.7114 0.3610 2.4795 1.3206 2.1105 1.7810 3.1126 1.9856 0.3723 0.1152 0.3811 0.5596 NA NA NA NA 0.0694 0.2405 0.4511 0.5819 0.0348 0.3688 0.1010 NA 0.3202 0.3366 0.3078 0.2846 0.2622
Lys-Pro-Pro 0.6055 NA 0.6237 NA 0.4050 0.7722 0.5609 0.6133 1.0232 0.3479 0.5604 0.3269 0.4754 1.1706 0.4415 NA 0.6161 1.5616 0.7130 0.7409 1.8198 0.7011 1.2027 0.8817 0.6975 0.4145 0.6074 0.5240 1.5924 0.8767 1.0170 0.6944 0.8295 0.9721 0.6993 1.4595 NA 0.4336 NA NA NA 0.2839 0.3750 0.4347 0.2983 0.6926 0.5455 0.6128 1.5863 4.2480 4.4066 4.2170 1.3179
Lys-Thr 0.7822 NA 0.2715 NA 0.2489 0.7358 0.2246 0.6710 0.1831 0.2141 0.6742 0.2968 1.4912 1.2055 0.6873 1.4086 1.8744 0.8675 1.6489 1.6252 0.8843 0.7600 1.3461 1.9261 1.3638 0.8429 1.2488 1.9649 1.6971 0.9486 0.9836 1.1079 1.1088 0.6262 0.7392 0.9360 0.2240 1.0224 0.4883 0.4463 0.3157 0.5990 0.9932 1.5969 NA 0.6186 0.6217 0.6393 0.8248 1.8887 2.1114 2.3962 1.6184
Lysyl-Histidine NA 0.3357 NA 0.5225 0.3522 0.5551 0.5116 0.5795 0.3671 0.3393 0.6548 0.5602 2.5693 2.8297 1.5332 1.3485 0.7159 1.0561 2.8130 1.5595 0.2538 2.0014 1.0495 1.4938 0.5061 0.7422 1.0518 1.0449 0.6723 0.7370 1.2590 1.3152 0.8391 0.4324 0.7774 0.7820 0.1708 0.1877 0.4569 0.6193 0.2271 0.5492 0.5014 2.0162 0.7149 0.4674 0.9464 0.1821 1.2169 2.1435 2.5102 2.4544 1.4745
Maculosin 1.8059 1.5456 1.6352 1.0544 0.5356 0.9400 NA 0.4412 1.1474 0.5585 1.1089 0.8146 0.9820 0.6662 0.8228 1.4879 1.0399 0.8399 0.9815 0.9840 0.6019 0.6828 0.8943 1.0919 1.2830 1.0939 1.1389 1.4497 0.9451 0.4457 1.0998 0.9818 1.2525 0.9323 1.0042 1.1028 0.7882 1.0625 0.8577 0.3228 0.8974 1.3624 1.1873 1.7325 0.6167 0.9319 1.0860 0.8955 0.8421 1.0864 1.0683 0.9118 0.9588
Mannitol 0.2803 0.1697 0.1371 NA 0.6637 0.8284 0.5478 0.6364 0.6762 0.5576 0.6076 0.5050 1.1597 1.2871 1.3597 1.6233 1.9600 2.1050 1.8438 1.9520 1.6775 1.4024 1.6889 1.4403 1.1794 0.9494 1.3961 1.4312 1.2223 1.2965 1.8798 1.4908 1.1890 0.7406 1.1953 1.1560 0.4235 0.5659 0.4079 0.2414 0.3716 0.4842 0.6026 0.6620 0.3255 0.8972 0.6066 0.5439 1.0141 1.2489 1.2838 1.0818 1.0033
me-iP 1.2738 1.0352 0.8101 0.7254 0.5550 0.8521 0.2567 0.8429 0.7828 0.4303 1.2259 0.6733 0.9341 0.6729 0.6627 0.8904 1.0145 0.6551 0.9122 0.9955 0.6846 0.7472 1.1205 1.7291 1.0827 0.9413 1.0154 1.1521 0.8547 0.5245 0.8055 0.6897 1.2709 1.0061 0.7813 1.2312 0.4297 1.0834 0.7663 0.5115 0.6327 1.0065 1.1693 1.8301 0.2776 0.4782 0.7229 0.3916 3.0787 2.3138 2.3370 2.7475 1.3857
meso-2,6-Diaminoheptanedioate 0.0840 0.0450 0.1787 0.1812 0.3921 0.4301 0.5802 0.5991 0.4559 0.3044 0.7539 0.3615 1.1399 1.2079 1.9288 3.0726 1.4600 1.6851 3.0839 2.5193 1.1717 1.2068 1.1541 1.6676 0.9228 1.2637 2.0597 2.2747 0.9632 1.4624 1.9298 2.2870 0.7419 0.7116 1.1140 1.0423 0.2297 0.3008 0.3611 0.3336 0.4044 0.5326 0.8586 1.4598 0.2796 0.6255 0.6291 0.5580 0.2188 0.7445 0.7741 0.9537 1.2991
Metharbital 0.2096 0.6504 0.2031 0.4936 0.6888 0.7477 0.6605 0.8689 0.9141 0.6619 0.4118 0.9111 0.9481 1.0241 1.2402 1.3572 1.2482 1.2522 1.8610 2.0396 1.0509 1.7007 1.6754 1.7672 1.4641 0.7881 1.3218 1.8158 1.1461 1.4463 1.9856 1.8406 1.0888 0.8751 1.3351 1.3918 0.8188 0.3286 0.2865 0.3451 0.3724 0.3229 0.7088 2.9810 0.8493 0.8236 0.8042 0.5768 0.1803 2.0597 1.5836 1.6243 0.7383
Methionyl-Hydroxyproline 2.2691 0.9354 1.1967 0.5705 0.4623 0.7969 0.3922 0.5721 0.6608 0.4190 0.9391 0.6305 0.9037 0.5294 0.7852 0.9418 1.4339 0.8833 0.7391 1.0853 1.4171 0.8022 1.2554 1.8295 1.4084 1.2589 0.9996 1.7644 1.0085 0.7089 1.0173 0.7654 1.0902 0.5756 0.7231 0.9327 0.6881 1.5159 0.7658 0.3596 0.7935 1.4392 1.7341 1.8263 0.3422 0.3612 0.3918 0.4014 1.2818 1.7039 1.7748 1.7979 1.1189
Methyl 2,3-dihydro-3,5-dihydroxy-2-oxo-3-indoleacetic acid 0.4411 0.5763 0.6093 0.4897 0.5872 0.7130 0.4216 0.7079 0.7901 0.8295 0.6417 0.6307 1.2032 0.9102 1.0337 1.1289 0.7416 0.6174 0.8548 0.8166 0.4834 0.8323 0.7763 0.6723 1.6609 1.2493 1.3852 1.2361 1.1408 1.0614 1.2075 1.0564 1.0671 1.3296 0.9625 1.0857 0.6950 0.6274 0.8525 0.6607 1.3988 1.8542 2.1528 3.0463 0.7368 1.9525 1.6168 1.6178 2.6013 1.5193 1.5689 1.6671 1.3963
methyl pyruvate 0.8366 0.8592 0.6766 0.4438 0.8019 0.9042 0.7142 0.8405 0.6959 0.7185 0.7160 0.7189 0.9687 0.8586 1.1753 1.1448 1.4610 1.3476 1.3173 1.2224 1.2474 1.4066 1.2605 1.0323 1.2744 1.0663 1.2694 1.0248 1.4957 1.3126 1.5295 1.8077 1.6355 1.7242 1.5726 2.1685 0.7172 0.8482 0.8099 0.5639 0.6300 0.7695 0.8118 1.1190 0.7772 1.5523 1.1786 1.3053 0.4934 1.1964 1.3626 1.1409 1.2506
Met-Val 0.4556 0.5602 0.4317 0.3492 0.5581 0.6904 1.0260 0.7167 0.4561 0.6734 0.7257 0.6502 1.2237 1.0651 4.1916 2.4348 1.4527 1.3755 2.1531 1.6790 1.0066 0.9528 1.0842 1.1866 1.2856 1.0220 2.0140 1.8422 0.9317 1.2623 1.7525 1.3714 0.9059 0.7322 1.1430 0.9897 0.7301 0.5438 0.6942 0.5199 0.6203 0.6190 1.3581 2.0605 0.5453 0.8386 0.6426 0.7590 0.6623 0.8987 0.8462 0.8671 1.0443
Montecristin 0.5491 0.3812 0.2724 0.2021 0.5667 0.8801 0.3461 0.5408 0.7108 0.6344 0.7208 0.5020 1.2280 0.8124 1.2753 1.2706 1.6255 1.4919 1.5877 1.5936 1.1482 1.9285 1.5829 1.0415 1.1555 0.8027 1.3638 1.1444 1.1139 1.1762 2.1493 1.5734 1.6645 1.0189 1.1294 1.3485 0.2110 0.5906 0.6043 0.3930 0.4548 0.6783 0.6138 0.7362 0.4379 0.7924 0.8369 0.5433 1.3621 1.9917 1.8895 1.9530 1.2724
Myxochlin B 0.7282 1.0072 0.7194 0.9318 0.7183 0.8939 0.7078 1.0345 0.8453 0.8967 0.8396 1.0407 0.9760 1.1190 1.1819 1.2503 0.4866 1.0147 1.3890 1.4983 1.1526 2.6303 1.5477 1.6161 0.8149 1.0118 1.3585 1.0232 0.9440 1.1855 1.2496 1.9227 1.1290 1.2663 1.5930 1.1700 0.4845 0.5674 0.8079 0.6055 0.6101 0.5588 0.8019 1.1619 0.5089 0.6458 1.4695 0.4978 0.9072 1.5707 1.6773 1.3680 1.2382
N-(1-Deoxy-1-fructosyl)isoleucine 0.3218 0.1874 0.3311 NA 0.5786 0.9811 0.2626 0.3359 0.5923 0.3129 0.6858 0.4875 1.1783 0.8532 1.2124 1.1499 1.3714 1.3014 1.1202 1.8513 1.0900 0.9430 1.2583 1.4564 1.2008 1.0445 1.2108 1.4438 1.6764 1.5220 1.7962 1.8059 1.1508 0.6333 0.9025 1.0265 0.3066 0.6119 0.5622 NA 0.4579 0.4332 0.6103 0.6346 NA 0.3078 0.5497 0.2735 1.3115 2.8798 2.8314 2.2250 0.7285
N-(1-Deoxy-1-fructosyl)threonine NA NA NA NA 0.5269 0.1039 0.9853 0.4421 0.3003 NA 0.1649 0.2979 2.9408 1.3443 1.8232 1.6635 0.2856 0.6571 4.2112 1.1712 0.2923 0.7659 0.3346 0.3951 0.1199 1.3618 3.0485 1.1846 0.5780 1.9859 3.8308 3.7308 0.6240 0.4080 0.4047 0.3285 NA NA 0.1535 0.8362 NA NA NA 0.5468 1.4257 0.2495 0.6448 0.1035 0.5587 0.5423 0.3860 0.6096 0.6317
N2-Acetyl-L-aminoadipate 0.2241 0.1187 0.1971 0.0597 0.1833 0.3023 0.1819 0.1730 0.2523 0.2432 0.4228 0.1813 1.8303 0.9611 2.2741 1.9102 2.5125 2.1808 2.6543 1.8706 2.4804 2.5836 2.9021 1.8744 1.0562 0.6453 1.8878 1.2483 0.9603 0.6719 1.9705 1.3028 1.1394 0.3839 1.0474 1.1243 0.1025 0.1649 0.1726 0.0768 0.0980 0.1700 0.2661 0.0902 0.0541 0.1526 0.2147 0.1076 1.6573 2.5178 2.5830 2.5083 1.0223
N2-(D-1-Carboxyethyl)-L-arginine 0.1318 0.0692 0.1107 NA 0.5074 0.7413 0.5433 0.5296 0.7261 0.5711 0.8593 0.4717 0.7711 0.7544 0.9532 1.0140 2.1280 2.2443 2.2230 1.7994 2.8337 2.3920 2.6963 2.1623 0.7797 0.5710 0.9360 0.7539 1.5178 1.4494 1.9578 1.6984 1.7082 1.0300 1.6430 1.6447 0.2078 0.2753 0.2654 0.1788 0.2043 0.2610 0.2998 0.2826 0.3597 0.7004 0.6091 0.4505 0.9155 0.9834 1.0727 1.0808 0.9296
N2-Fructopyranosylarginine 0.8071 0.5109 0.5340 0.1939 0.6178 0.9509 0.5983 0.6076 0.3280 0.5912 0.6327 0.4215 1.2729 0.7756 1.4169 1.7164 1.3770 1.4337 1.3553 1.9173 0.9778 0.7861 1.4450 1.1785 1.6755 1.2083 2.1393 1.7182 1.1714 1.0093 1.8888 1.7442 0.8828 0.5321 0.7462 0.8956 0.4884 0.6193 0.5117 0.3626 0.2097 0.4167 0.6687 0.6896 NA 0.2362 0.5015 0.2684 0.8888 2.4334 2.4407 2.1650 1.0412
N2-Succinyl-L-arginine 2.4463 1.4019 1.4363 0.8191 0.6352 0.8983 0.3286 0.8064 0.8119 0.4149 0.9913 0.5539 0.9078 0.5476 0.7120 1.1724 1.1653 0.7090 0.7913 0.8829 0.9967 0.6265 1.0304 1.5234 1.2766 1.1958 1.2314 1.6582 1.1108 0.6478 0.8785 0.8507 1.2698 0.7870 0.7224 1.1067 0.5379 1.3322 0.7680 0.4675 0.9169 1.2069 1.2408 1.7010 0.3629 0.3833 0.5966 0.3167 1.6761 1.6782 1.6998 1.6969 1.0731
N2-Succinyl-L-ornithine 0.4297 0.3739 0.3271 0.2031 0.5618 0.8053 0.3987 0.5109 0.7828 0.5499 0.7562 0.4984 1.1419 0.8552 0.9357 0.9428 1.4788 1.2544 1.3743 1.4009 1.3038 1.9640 1.8217 1.6850 0.9441 0.6428 0.9279 0.8767 1.2485 1.1352 1.4344 1.3580 1.8407 1.0815 1.3360 1.5053 0.3062 0.5308 0.4294 0.2623 0.3270 0.4834 0.4668 0.6080 0.4235 0.7233 0.7673 0.4570 1.5650 2.5701 2.5616 2.7539 1.0771
N3-(4-methoxyfumaroyl)-L-2,3-diaminopropanoate 0.1327 1.1420 0.2875 3.5758 0.3020 0.3884 3.5506 0.8106 NA 0.4498 0.2329 1.8920 1.6350 2.6363 1.8245 1.2140 0.1649 0.5833 0.7950 0.2731 0.5372 1.2138 0.3754 1.0040 NA 0.4091 1.7105 0.8796 0.1179 0.4300 0.4255 1.3636 1.3582 NA 0.1891 0.4986 0.2184 0.2673 0.3465 1.7231 0.3719 0.2506 NA 0.9517 1.0046 0.2800 2.2235 0.4603 0.7153 1.6374 1.6577 2.4030 2.0858
N-(3-acetamidopropyl)-4-aminobutanal NA NA NA NA NA 0.5327 0.3004 NA NA NA 0.2344 NA 0.8772 0.8626 0.8359 0.8438 0.8883 1.1192 1.1418 1.1871 0.9027 1.2059 0.9238 1.1444 0.6865 0.3148 1.0332 0.6330 0.7210 0.9539 1.1081 1.2730 0.8614 0.3708 0.6270 0.8535 NA NA NA NA NA NA NA NA NA 0.2865 0.4134 NA 1.4418 2.7429 3.0148 2.9114 0.7529
N4-Acetylaminobutanal 0.2728 1.4729 0.4386 0.4816 1.1866 0.6193 0.8516 1.2141 0.6440 1.1406 0.5729 0.4177 1.5924 1.1410 0.3624 0.6659 0.5559 0.5678 2.0884 1.5282 1.3240 0.4064 1.3742 1.5782 0.1101 1.7602 1.8576 0.9351 0.4604 2.0383 1.8943 1.2232 1.4518 1.6442 0.4967 1.5424 0.4826 0.6370 1.5927 2.0498 1.4813 0.3136 0.2154 2.2087 1.1389 0.3244 1.0819 1.2602 0.5388 0.9036 0.9274 0.9439 0.9836
N5-acetyl-N5-hydroxy-L-ornithine 0.2192 0.2063 0.1980 0.1339 0.6954 0.5060 0.6377 0.4798 0.5616 0.3789 0.7571 0.4882 1.1551 0.7378 1.8334 2.4055 2.2161 2.6936 2.2701 2.0682 1.7556 1.7971 1.2384 1.3430 1.3691 1.0163 2.6026 1.6790 1.8011 2.0823 2.8977 2.3167 1.4348 0.8015 1.2975 1.2591 0.3022 0.3295 0.3885 0.2321 0.3036 0.4886 1.1064 0.6242 0.3679 0.8033 0.5055 0.3131 0.7385 1.0411 1.0232 0.9281 0.6935
N5-Ethyl-L-glutamine 0.1144 0.0797 0.1146 0.0452 0.5262 0.7310 0.4853 0.5060 0.4549 0.3240 0.4574 0.3387 1.8678 1.2602 1.9591 1.7689 2.0138 1.7265 1.3051 1.4152 1.4672 1.2786 1.1843 0.8872 1.7352 1.3585 2.2291 1.5790 1.4752 1.1642 1.6342 1.1708 0.6953 0.3338 0.5608 0.6745 0.2952 0.4656 0.3754 0.2334 0.4887 0.5340 0.6008 0.4473 0.0877 0.2594 0.1792 0.1706 1.3390 3.1977 3.2845 3.2089 0.9106
N6-(1,2-Dicarboxyethyl)-AMP 0.4292 0.3370 0.2866 0.1598 0.5988 0.8186 0.5741 0.5966 0.6329 0.4403 0.6902 0.4788 1.1233 1.0065 1.2478 1.3780 1.6646 1.4742 1.4114 1.8405 1.1016 1.1247 1.6398 1.4575 1.5751 1.0049 1.6226 1.3736 1.7022 1.5463 2.1871 1.8688 1.2891 0.6430 0.9875 1.2398 0.2901 0.5068 0.3622 0.2286 0.4236 0.5453 0.8776 0.6795 0.2319 0.4498 0.5858 0.4638 1.2851 1.8915 1.8439 1.7499 1.0320
N6-Acetyl-L-lysine 0.5940 0.3241 0.4263 0.2958 0.5910 0.9107 0.5165 0.6419 0.6367 0.5519 0.6945 0.4879 1.3136 1.3460 1.7265 1.7829 1.4813 1.1383 1.6153 2.0843 0.7956 1.0887 1.6797 1.5597 2.5503 2.1910 2.0109 1.8348 1.4230 1.1590 1.9946 1.7914 1.1039 0.5705 0.8086 1.0800 0.4007 0.5322 0.7377 0.4029 0.4285 0.3828 0.5913 0.6255 0.3684 0.4904 0.7239 0.3370 0.6467 0.8708 0.7662 0.7551 1.1385
N6-Acetyl-N6-hydroxy-L-lysine 0.9201 0.5540 0.5060 NA 0.6185 0.9165 0.3656 0.6622 0.7506 0.3081 0.7199 0.5317 1.1334 0.8504 1.0532 1.2672 1.3467 1.1689 1.2554 1.6681 0.9717 0.8406 1.2385 1.3091 1.8948 1.0746 1.6969 1.7050 1.3139 1.0298 1.5282 1.3877 1.1775 0.7486 0.6663 1.1013 0.3211 0.8889 0.5445 0.3020 0.3319 0.6845 0.7587 0.8078 NA 0.3345 0.5330 0.2429 1.2551 1.8615 2.2262 2.5441 1.0825
N-(6-Aminohexanoyl)-6-aminohexanoate 0.1426 NA 0.5581 NA 0.2317 0.4807 0.5199 0.4922 0.2608 0.4435 0.6786 0.2109 1.3848 1.1936 1.6727 2.2056 1.2728 1.5474 2.1532 1.3756 0.9769 1.3503 0.8096 1.6038 1.3621 1.0158 1.8651 1.1363 1.6446 1.3335 1.4237 1.9345 1.0597 1.3230 1.4248 1.0400 0.1944 0.0891 0.4577 NA 0.2653 0.7515 1.0123 0.8642 NA 1.1959 0.7234 0.9431 0.2002 0.8216 1.1652 1.4199 0.7677
N6-(L-1,3-Dicarboxypropyl)-L-lysine 0.0967 0.0746 0.0799 0.0457 0.7380 0.7508 0.8021 0.6715 0.4352 0.3327 0.6359 0.2964 1.2696 1.2052 1.4045 1.9332 2.5557 2.7098 1.9995 2.1146 1.5965 1.1829 1.4820 1.2488 1.3676 1.0803 1.6584 1.6542 1.8749 1.9004 2.1939 1.8956 1.1669 0.6200 1.2009 0.9212 0.2666 0.3792 0.3428 0.2244 0.1884 0.2171 0.2872 0.1221 0.2964 0.4313 0.5522 0.4332 1.0466 1.3187 1.2388 1.3696 1.0893
N-Acetyl-D-glucosaminate 1.1886 1.1598 0.8796 1.2108 0.6743 1.0279 0.4894 1.0583 1.2313 1.0262 1.1499 1.2063 1.0020 0.6140 0.4253 0.7103 0.6590 0.6040 1.1807 0.7785 0.6778 1.2972 1.3751 1.2987 0.8656 0.9291 0.7942 0.9952 0.8341 0.7266 0.9101 1.1677 1.6993 1.7342 1.2392 1.6278 0.6141 0.9383 0.8993 0.9146 0.6386 0.7830 0.8231 3.0006 1.1186 0.8204 1.5129 0.7296 0.3710 1.3663 1.3200 1.4659 1.1855
N-Acetyl-D-glucosamine 1.3431 1.2722 1.0799 1.6476 0.7163 1.0937 0.4139 1.2063 1.3000 1.0589 1.2722 1.1842 0.9130 0.7547 0.3522 0.7072 0.7192 0.6729 1.1954 0.6049 0.7282 1.0861 1.2957 1.3331 0.8459 0.9614 0.6894 1.0261 0.9488 0.7375 0.5992 0.9869 1.9156 1.8705 1.4284 1.6687 0.5908 1.2890 0.9051 1.0300 0.6918 0.9163 0.8442 3.1602 1.3734 0.8986 1.3709 0.7513 0.4535 1.3591 1.2099 1.3283 1.1633
N-acetyl -D- glucosaminitol 0.3768 0.2039 0.4634 0.2138 0.6742 0.8743 0.6506 0.5953 0.5990 0.5095 0.7442 0.4726 1.3202 1.0357 1.3274 1.2289 1.9937 2.2658 1.5115 1.5796 1.7983 1.6136 2.1870 1.4023 1.1453 0.8936 1.5189 1.3098 1.7524 1.1302 1.6881 1.2885 1.3765 0.8735 1.2535 1.3403 0.5847 0.4194 0.4847 0.2372 0.5327 0.6619 0.6824 0.7171 0.3296 0.9432 0.6477 0.8170 1.1888 1.7928 2.0871 1.8272 1.1110
N-Acetyl-D-mannosaminolactone 1.4608 1.2338 1.0805 1.3368 0.6057 1.1281 0.4110 1.0770 1.0241 0.9799 1.4836 1.1792 0.9013 0.5586 0.3971 0.7127 0.8080 0.5840 0.9530 0.4743 0.7474 1.1101 1.6305 1.5409 0.8572 0.7920 0.5908 0.9850 1.0484 0.6547 0.9231 0.9945 2.2994 1.5991 1.6444 1.9370 0.6517 1.2858 0.8286 0.7507 0.5951 0.8661 0.9218 1.9034 1.0410 0.8927 1.3353 0.7500 0.9682 1.7812 1.9871 1.9018 1.3286
N-Acetylglutamine 0.2289 NA 0.1097 NA 0.2227 0.7908 0.2322 0.3916 0.6229 0.2385 0.8192 0.5147 1.1196 0.8329 1.1338 1.4623 1.2111 1.0808 1.1474 1.6757 0.9746 1.2433 1.4511 1.6472 0.9867 0.6333 1.2556 1.3158 1.2626 0.9574 1.2785 1.1271 1.6384 1.0312 1.2510 0.9799 NA 0.3943 0.2725 0.1199 0.2105 0.5737 0.4113 0.7776 0.1993 0.5089 0.7049 0.3283 3.5855 2.4557 2.4760 2.8653 1.2477
N-acetyl-(L)-arginine 1.4109 0.9775 1.2817 0.7104 0.9890 1.0247 0.7036 1.2683 0.9907 0.9925 1.2371 0.9553 0.4865 0.6532 0.7408 0.7177 1.1740 0.7319 0.4508 0.9923 1.0878 0.6872 0.9374 1.1484 0.9121 0.8326 0.6337 0.8941 1.1216 1.0403 0.8096 0.7226 1.1968 1.0722 1.0729 1.2583 1.0714 1.3542 0.9993 0.6312 1.0540 1.2357 1.0711 1.1368 0.6381 1.4236 0.9195 1.4166 1.0914 1.1052 1.1143 1.2326 1.2101
N-Acetyl-L-aspartate 0.1979 0.1013 0.1573 NA 0.4094 0.5585 0.6361 0.2807 0.3131 0.3030 0.4669 0.1845 2.2531 2.5723 2.1729 1.9426 1.5173 1.4589 4.1348 1.7633 1.2425 0.9382 0.9729 1.3770 1.1479 0.8781 2.9308 1.5883 0.8625 0.9162 1.7314 1.4208 0.9274 0.4349 0.7661 0.7125 0.1483 0.3163 0.3292 0.3989 NA 0.3089 0.6151 0.8266 0.2169 0.3709 0.3258 0.3072 1.9561 1.2157 1.1055 1.3130 0.9743
N-Acetyl-L-glutamate 0.5714 1.1262 1.3485 1.2444 1.0103 1.0968 0.9158 1.1625 0.8192 1.1552 0.8750 1.4315 1.2234 1.1764 1.1162 1.2491 0.6739 1.0737 0.9978 0.9606 0.7040 0.7729 0.8370 0.8447 1.3165 1.2700 1.2262 1.1626 0.6915 0.8150 1.3675 1.0307 1.0787 0.9896 0.6475 0.7589 1.2632 0.7861 1.2614 0.8678 1.1096 1.1326 1.0797 2.1797 1.0349 0.8439 0.8514 1.0603 0.9317 0.8787 0.9366 0.9829 0.9891
N-Acetyl-L-glutamate 5-semialdehyde NA NA 0.2598 NA NA 0.1968 0.5874 0.1742 NA NA 0.1478 NA 1.4872 2.6031 1.4248 1.2693 1.1608 1.8679 1.1039 1.0010 3.0873 1.0446 1.9009 1.3445 0.8418 0.4630 0.8156 0.8225 0.7455 0.4223 0.8929 0.5931 0.4237 0.1418 0.7055 0.7673 NA NA NA NA NA NA 0.2098 NA NA 0.2422 0.4308 0.2297 1.2957 2.0507 2.0253 1.8922 1.3274
N-Acetyl-L-histidine 0.5025 0.4029 0.5638 0.3299 0.7875 0.7591 0.6377 0.7909 0.6573 0.5298 0.9209 0.5126 1.5187 1.2899 1.5336 1.4485 1.7585 1.1717 1.5627 1.9530 1.1107 1.2774 1.7572 1.3523 1.7758 2.0204 2.0265 1.5919 1.4869 1.3319 1.4921 1.5996 1.2492 0.7515 0.8300 1.0450 0.5164 0.6244 0.5124 0.3972 0.4249 0.4861 0.7007 0.7124 0.3106 0.2953 0.6687 0.3394 0.6936 0.8898 0.9898 0.9284 1.1799
N-Acetyl-L-leucine 0.7232 0.6204 0.4820 NA 0.4909 0.9025 0.3082 0.5600 0.7804 0.4511 1.1053 0.3112 0.8893 0.4702 0.4215 0.5909 2.1732 1.2475 1.4192 1.4574 1.3755 1.3718 2.0114 1.5425 0.8523 0.3398 0.7279 1.1945 1.6398 1.1720 1.6235 1.1628 2.3726 0.9453 1.2739 1.4570 0.2922 0.8246 0.3842 NA 0.2685 0.5533 0.2982 0.3295 NA 0.7107 0.7349 0.4564 1.4502 1.9082 2.3126 1.8667 1.1426
N-Acetyl-L-phenylalanine NA 0.1798 0.1564 0.1344 0.4957 1.0921 0.5133 0.9433 0.5696 0.8870 0.7330 0.5334 1.0975 1.0247 1.0448 1.2740 1.0953 1.1457 1.5471 1.8112 1.1448 1.7736 1.4545 1.6477 1.2409 0.7422 1.1746 1.0088 1.3027 1.2917 1.6996 1.5078 1.2916 1.1618 1.7258 1.2972 0.5612 0.5196 0.5905 0.5164 0.4625 0.4283 0.5825 0.7969 0.2558 0.8304 1.1585 1.0097 0.7473 1.3366 1.6924 1.5415 1.2266
N-Acetylmethionine NA 0.3310 0.0225 1.4853 0.3611 0.2182 1.7548 0.2309 0.4711 0.8877 0.1165 1.0704 3.2733 2.8249 2.2911 2.3109 0.0488 1.1057 3.9047 0.5193 0.1931 2.3821 0.5677 0.2904 0.4785 1.0033 2.8338 0.7574 0.0812 0.7006 0.9005 2.1200 0.1848 0.3375 0.1614 0.2458 0.2693 0.0626 0.7416 2.2402 0.3055 0.1177 0.1719 1.2719 2.8728 0.1965 1.2088 0.0789 0.7555 1.3999 1.4476 1.4450 0.9478
N-Acetylornithine 0.9522 1.1989 1.2772 1.5257 1.1501 0.9923 1.1838 1.3046 1.0467 1.1907 1.1207 1.3104 0.9853 1.0639 0.9434 1.0214 0.9238 0.9371 0.8354 0.9127 0.9155 0.9846 1.0156 0.9958 1.0522 1.0908 1.0713 1.0864 0.8663 0.9359 0.8629 1.0111 0.8885 1.1109 1.1435 1.2097 1.1550 1.1499 1.2585 1.3698 1.1164 1.2020 1.1462 0.9735 1.0966 1.0350 1.2692 1.3811 0.4680 1.0828 1.1999 1.2376 1.2112
NAD+ 0.1302 0.1185 0.1317 0.0502 0.3523 0.5037 0.2635 0.3215 0.3344 0.2390 0.5054 0.2530 1.1905 0.8959 1.3845 1.2519 2.1234 1.7404 1.4109 1.7568 1.6068 1.4937 1.8614 1.4685 1.2950 0.8526 1.3001 1.2372 1.5161 1.1076 1.6973 1.2789 1.2126 0.5695 1.0005 1.0523 0.1820 0.2766 0.2735 0.1288 0.3763 0.4843 0.6756 0.5329 0.1643 0.5784 0.4389 0.3844 1.4075 3.5770 3.6067 3.3792 1.0254
NADP+ NA 0.1858 NA 0.2326 0.4897 0.6050 0.5050 0.5926 0.3294 0.4624 0.7571 0.6837 0.8649 0.9042 1.3280 1.4741 1.3162 1.2960 1.3964 1.3605 1.6105 1.7424 1.3660 1.4425 2.3733 0.7890 1.3485 1.1242 1.1181 1.0107 1.2989 1.2194 1.5200 0.7537 1.1015 1.5582 0.1865 0.2712 0.5703 0.3079 0.3560 0.4853 0.6851 0.5457 0.2684 0.8271 0.8187 0.8753 1.5406 2.1969 2.5552 2.2458 0.9597
Nalpha-Methylhistidine 0.4809 0.3038 NA 0.5466 NA 0.4220 0.7625 0.3955 NA NA 0.1519 NA 2.5575 1.6090 2.0986 2.7344 0.5477 1.2098 4.4283 1.2616 0.4802 1.3196 0.7749 0.5920 0.7432 0.7347 2.2567 0.8974 0.1901 0.5393 1.0909 1.6056 NA NA NA NA NA 0.3628 0.3085 0.4355 NA 0.1908 0.2897 1.2263 NA NA NA NA NA 0.9510 1.1070 0.8041 0.5895
N-Decanoylglycine 0.2647 0.2490 0.2607 NA 0.5332 0.7197 0.2774 0.5289 0.6164 0.2763 0.6425 0.3340 0.9245 0.7570 0.8676 1.0434 1.8928 1.4337 1.0666 1.3625 1.6226 1.8073 1.6862 1.2402 1.0134 0.8333 0.8138 0.9986 1.3083 1.0999 1.3677 1.6829 1.7145 0.7562 1.0859 1.4224 0.1767 0.4134 0.3019 0.2602 0.2932 0.5014 0.3221 0.5873 0.2215 0.6280 0.6121 0.5477 2.2485 3.2256 3.1093 3.1619 0.8855
N-Ethylmaleimide 1.4662 1.0934 0.8992 1.3045 0.6133 0.5077 0.4894 0.6514 0.7892 0.6355 0.8622 0.9254 2.1262 1.3395 1.3350 1.5610 0.8109 0.5559 1.7863 0.8858 0.7039 1.1333 0.9121 1.2709 1.2656 1.1000 1.9925 1.7075 0.7292 0.6660 0.8931 1.0114 1.1517 0.7931 0.7205 1.2171 0.4777 1.0926 1.1176 1.1179 0.5825 1.0447 1.0851 2.0886 0.4285 0.3708 0.8234 0.3573 1.3897 2.2184 2.0513 2.1536 1.3377
N-ethylsuccinimide 0.5159 0.7161 0.6789 0.6215 0.5590 0.7975 1.0873 0.9416 0.6688 0.6059 0.5765 0.4923 1.6683 1.7616 1.7036 1.2380 0.9523 1.2746 1.5926 1.4941 0.9949 1.8598 1.2537 1.2593 1.0001 1.3108 1.0783 1.1343 0.9071 1.2163 1.1873 1.2864 0.7130 0.7645 0.8693 0.7856 0.6336 0.5005 0.8589 0.5219 0.7014 0.6587 0.7459 1.5790 0.9733 0.7599 1.2965 0.5266 1.0457 1.1895 1.1035 1.2611 1.0768
N-Formimino-L-glutamate 0.0834 0.0930 0.0758 0.0426 0.6601 0.9583 0.6215 0.4487 1.1117 0.7833 0.8743 0.6050 1.2162 0.7464 0.7302 1.0870 1.6409 1.7769 1.3033 1.3282 2.5866 3.6815 2.6756 2.2168 0.5962 0.5185 0.8992 0.5873 0.8839 1.0557 1.4232 1.0693 2.0628 1.3160 1.7400 1.5838 0.2060 0.3464 0.2770 0.1905 0.2063 0.2069 0.2277 0.1882 0.4645 1.0306 0.8748 0.6777 1.2528 1.5025 1.5860 1.6069 1.0720
N-Formyl-L-glutamate 0.1999 1.6844 1.1194 NA 1.3176 0.8926 0.9675 0.2859 1.5891 0.5034 1.6422 NA NA 1.0090 0.6434 1.6566 0.2371 1.4483 0.9430 NA 0.9436 NA 0.2653 1.3130 NA NA NA 1.4411 0.8259 1.3043 1.3210 0.9085 0.2680 0.9364 1.2021 NA 0.2177 0.1960 1.2742 0.6638 0.5612 1.3638 0.7805 0.6942 NA 0.8970 2.0322 0.7753 2.0814 1.2700 1.4168 1.5587 1.4576
N-Hexadecanoylpyrrolidine 0.6847 0.5768 0.2846 0.2575 0.4695 0.7983 0.6742 0.4400 0.8169 0.5957 0.8020 0.6795 1.0131 1.0606 0.9862 1.2337 1.7180 1.6123 1.5056 1.7927 1.6960 1.6397 1.5796 1.4488 1.1564 0.9951 1.2127 1.0605 1.3782 1.2016 1.9821 1.5363 1.6362 0.8793 1.0657 1.2810 0.3944 0.4653 0.4660 0.2528 0.6235 0.5276 0.7768 0.8401 0.4237 0.7932 0.7333 0.4262 1.1384 1.3382 1.5573 1.3706 1.1214
Nicotinamide D-ribonucleotide 0.5307 0.4198 0.3620 NA 0.6364 0.7282 0.5391 0.5843 0.7186 0.5098 0.7734 0.4759 1.2108 1.1641 1.0721 1.3181 1.6388 1.8291 1.1812 1.4331 1.2485 1.7517 1.5946 1.5168 1.2279 0.8863 1.3869 0.9958 1.4128 1.2367 1.4519 1.2582 1.5365 1.0133 1.2281 1.3595 0.4115 0.5249 0.4872 0.3130 0.5395 0.5876 0.7296 0.6499 0.3719 0.7768 0.6795 0.4815 1.5838 2.4574 2.3835 2.1720 1.0623
Nicotinate 0.3156 0.2859 0.4647 NA 0.2717 0.5967 0.7836 0.7380 0.3820 0.5379 1.5775 0.9552 1.1256 0.4827 0.8079 0.6518 1.0363 0.5212 0.4150 1.3573 0.8125 1.7574 1.3695 1.6125 0.6285 0.2855 0.6029 0.7182 0.9049 0.6603 0.9396 1.1735 1.3313 0.5813 1.0841 1.6233 0.1839 0.3491 0.6818 0.2583 0.4503 0.5138 1.3129 0.6680 NA 0.3608 1.1642 0.7645 2.5558 3.7791 3.5590 3.8349 1.8796
N-Lactoyl ethanolamine 2.5155 1.6126 1.5897 0.9813 0.7081 0.9025 0.2890 1.0350 0.9819 0.3988 1.0735 0.6131 0.6900 0.4166 0.7015 1.2835 1.1107 0.6869 0.5952 0.9197 1.0219 0.5217 1.0366 1.5056 1.5170 1.3373 1.2534 2.1318 1.0327 0.7690 0.9381 0.8565 1.2849 0.8607 0.7988 1.3174 0.6170 1.3233 0.8757 0.3907 1.0155 1.4970 1.6273 1.6620 0.3225 0.3649 0.6775 0.3274 0.7394 1.0928 1.0355 1.0422 1.1009
N-Nitrosodiphenylamine 0.4356 0.3323 0.3192 0.2403 0.5304 0.8213 0.5704 0.5564 0.5743 0.4645 0.6376 0.4190 1.3875 0.8341 1.0469 1.3364 1.3077 1.4509 1.9900 1.6697 1.0363 1.4691 1.3833 1.4566 1.1587 0.6602 1.3084 1.1649 1.0693 1.2382 1.8257 1.5435 1.1662 0.5874 0.9893 1.0238 0.3314 0.6269 0.4706 0.3277 0.3470 0.3555 0.6450 0.7674 0.3326 0.5920 0.5356 0.2939 1.1514 2.9134 2.9281 3.4265 0.9493
Norsanguinine 0.2225 0.1700 0.2115 0.1433 0.4926 0.7594 0.4443 0.3754 0.5098 0.3969 0.5875 0.2990 1.1356 0.9831 1.2898 1.2227 1.5475 1.3580 1.1397 1.1422 1.0857 1.6034 1.3200 1.2698 1.1393 0.8623 1.4598 1.2208 1.0762 1.0364 1.2813 0.9759 1.3615 0.6432 0.8918 1.1197 0.2306 0.3594 0.3453 0.2111 0.2558 0.3771 0.4083 0.2141 0.2133 0.5996 0.4456 0.3208 1.5729 4.5759 4.6132 4.4782 1.0008
N-Succinyl-L-glutamate 3.6911 3.8843 2.8639 3.6249 0.7531 0.9703 0.5043 0.8892 0.9623 1.1481 0.9080 0.7734 0.4260 0.3618 0.3524 0.4320 0.4843 0.4599 0.2983 0.5479 0.5105 0.6270 0.6202 0.5101 0.7313 0.4894 0.3597 0.5044 0.4395 0.4302 0.8198 0.6886 0.7505 0.8650 0.5692 0.6606 0.8706 1.1400 1.1411 1.3138 1.2809 1.4330 1.7770 3.1780 0.5194 0.6051 0.8495 0.5918 1.1589 2.0792 2.1054 2.0917 1.2258
N-Undecanoylglycine 0.4320 1.4127 0.9265 0.3484 1.2580 0.8381 0.6798 1.3405 1.1582 0.9346 1.0351 0.4065 0.5321 0.7219 0.7039 1.0394 1.2575 0.7213 0.8248 1.3922 1.2178 0.2222 1.2249 1.6029 0.1477 1.7731 1.2771 1.3360 0.8997 1.8033 1.6629 1.3727 1.5190 1.4988 0.9514 1.6844 0.4976 0.9780 1.6038 0.9896 1.6842 0.8617 0.4746 2.0965 0.4920 0.9461 1.6221 2.0238 0.6167 1.0933 1.1745 1.2812 1.3321
N-α-acetyl lysine methyl ester 1.0172 1.5370 1.0497 1.3032 1.1232 1.1755 1.3143 1.0647 0.9009 1.1964 1.1071 1.0285 1.0554 1.0414 0.9265 0.9002 0.7827 1.0955 1.0696 1.1006 0.4435 0.7781 0.9752 0.7517 1.1184 0.9925 1.1335 0.8357 0.7790 0.9383 0.4565 0.9904 1.0703 1.2361 1.1598 1.2889 1.0996 1.0630 1.1120 1.0361 0.9452 1.3143 1.3187 0.9021 1.0085 1.1940 1.3797 1.3693 0.3676 1.2728 1.4932 1.1773 1.7245
O-Acetyl-L-homoserine 0.5076 0.4586 0.4718 0.3472 0.7802 0.8813 0.7528 0.9878 0.9901 0.8151 0.9566 0.8687 1.1626 1.1700 1.1867 1.2221 1.1918 1.1946 1.0746 1.2597 1.1656 1.2591 1.2610 1.1802 1.1777 0.8957 1.2331 1.0280 1.2865 1.2616 1.3755 1.3044 1.5423 1.2996 1.4167 1.2948 0.5672 0.6136 0.6290 0.5225 0.5115 0.5696 0.7186 0.9072 0.5200 0.9674 0.7968 0.8555 0.9924 1.4573 1.5403 1.5096 1.0601
O-Acetyl-L-serine 0.3762 0.2269 0.4626 0.2493 0.6730 0.8728 0.6494 0.5942 0.5980 0.5086 0.7429 0.4718 1.2192 1.0338 1.3250 0.9221 1.9901 2.2618 1.5088 1.5768 1.8388 1.6107 2.1831 1.3998 1.1432 0.8921 1.5162 1.3074 1.7493 1.4297 1.6525 1.1891 1.3740 0.7251 1.2513 1.3379 0.5836 0.5546 0.4838 0.4476 0.5317 0.6607 0.6812 0.7158 0.3290 0.9415 0.6466 0.5638 1.1867 1.7896 2.0834 1.8239 1.1091
Octadecanamide NA 0.2757 0.0571 1.6214 0.6877 0.4616 1.8546 0.3455 0.6119 2.0823 0.4758 2.6231 1.4308 4.3057 1.5903 1.5041 0.1881 1.2914 2.6807 0.3980 0.1332 1.2089 0.9045 0.4731 0.9749 0.9024 1.9919 0.4417 0.0394 0.6086 0.6683 1.4867 0.4382 0.6286 0.4208 0.4576 0.2976 0.0878 0.8381 2.5584 0.4626 0.3687 0.1366 0.8952 2.7996 0.4048 2.0425 0.4080 0.1240 1.0569 1.0795 1.2712 0.9041
Orotate(Fragment) 0.2344 0.2595 0.2305 NA 0.5146 0.8378 0.2832 0.5246 0.4915 0.3063 0.6092 0.2500 1.4897 0.9345 1.3592 0.9900 1.8719 1.3705 1.5821 1.5429 0.9904 1.5652 1.2986 1.2170 1.0996 0.8175 1.1594 0.6187 0.6240 0.9226 1.3361 1.4051 1.3800 0.5567 0.9839 1.1341 0.1852 0.4488 0.2649 0.1102 0.3265 0.4590 0.5529 0.4696 0.2407 0.5536 0.7652 0.3701 2.4935 3.3837 3.7965 3.8048 0.9836
Pantothenate 0.4193 NA 0.2155 NA 0.4370 NA 0.4841 0.5532 0.4826 0.3925 0.5730 0.5305 1.1750 0.8018 1.1317 1.6836 0.9223 0.8745 1.3734 1.7764 NA 0.6693 1.2800 1.1268 1.0659 0.9307 1.7352 1.5971 0.5322 0.7707 0.9136 0.9126 0.7824 0.4094 0.6155 0.7153 NA 0.7989 0.5365 NA NA 0.3303 0.3363 0.5399 NA NA 0.4625 NA 1.2209 3.1935 3.4131 3.1991 1.0861
[PC(6:2)] 1-hexyl-sn-glycero-3-phosphocholine 0.2820 0.2877 0.2299 0.2813 0.6532 0.9344 0.5704 0.7668 0.5975 0.4862 0.8402 0.6504 1.5197 1.2807 1.5625 1.7632 1.4964 1.5233 2.3100 2.0106 1.5450 1.4545 1.6788 1.8189 1.0471 1.1444 1.5311 1.7951 1.0957 1.6717 1.9612 1.8479 0.9644 1.0221 1.3212 1.5903 0.2696 0.2835 0.5068 0.4020 0.6190 0.6944 0.9449 1.4827 0.5138 0.8390 0.6159 0.6880 0.5221 1.1654 1.1752 1.6763 1.7004
PE(30:0) 2.0520 0.9309 1.1662 0.5036 0.5686 0.9776 0.2092 0.8496 0.8159 0.4874 1.1860 0.6117 0.8804 0.5367 0.6870 1.2159 1.3342 0.7665 0.9057 1.1150 1.0814 0.8781 1.3915 1.9876 1.3516 1.0729 0.9865 1.3983 1.2314 0.7428 1.0239 0.9433 1.6869 1.2223 1.0914 1.6278 0.4444 1.1786 0.6197 0.3231 0.6517 1.0458 1.1509 1.5560 0.3459 0.5935 0.8127 0.4302 1.0085 1.4092 1.3667 1.3590 1.1863
PE(30:1) NA 0.3715 NA 4.8554 0.3373 NA 0.7914 NA 0.1793 0.3067 0.1520 0.7721 2.2310 2.4886 1.2461 1.5130 NA 0.4052 1.9422 NA NA 0.5248 NA 0.1854 0.2383 NA 1.0097 0.4296 NA NA NA 0.6654 NA 0.2405 NA NA NA NA 0.2476 2.0121 0.4610 0.2710 0.2189 4.6931 2.3439 0.2444 1.0337 0.1885 NA 0.5076 0.4903 0.4533 0.9492
PE(32:0) 0.3599 0.2667 0.2261 0.1089 0.4802 0.6806 0.3968 0.4317 0.6202 0.4424 0.5646 0.3791 1.1777 0.9665 0.9812 1.2378 1.8822 1.9122 1.5222 1.6088 1.7852 1.8720 1.7478 1.6648 1.1990 0.7869 1.1996 0.9854 1.6600 1.2282 1.8184 1.5080 1.7551 0.8197 1.1143 1.2605 0.2259 0.4575 0.3179 0.1848 0.3355 0.3575 0.4699 0.5033 0.3698 0.6912 0.6033 0.3817 1.3656 2.2095 2.5467 2.3252 1.0040
PE(32:1) 0.3240 0.2175 0.2151 0.1202 0.5131 0.8056 0.3912 0.4811 0.7213 0.5062 0.7046 0.4629 1.2696 0.9905 1.1310 1.3523 1.7752 1.7935 1.5660 1.7207 1.5312 1.7152 1.8748 1.6583 1.1395 0.7550 1.2395 0.9957 1.6236 1.3093 1.8843 1.6156 1.7663 0.9393 1.3868 1.4742 0.2402 0.4741 0.3183 0.1696 0.3676 0.4865 0.6628 0.6576 0.3672 0.8759 0.7157 0.4783 1.2351 1.5995 1.5655 1.7447 1.0711
PE(34:1) 0.2218 0.1057 0.1515 0.0779 0.2271 0.5520 0.3893 0.2846 0.5212 0.2023 0.3257 0.1845 1.3327 2.3810 0.9446 0.7216 1.6954 3.4949 0.9800 1.5654 3.7878 0.8652 3.0059 1.3970 1.4742 0.6896 1.1754 1.2700 3.4805 1.6378 2.2587 0.8681 0.6866 0.3489 0.4823 1.6974 0.1332 0.2585 0.1758 0.1508 0.1675 0.1975 0.3013 0.2670 0.0983 0.2893 0.2941 0.1535 2.2714 1.4758 1.4931 1.5580 2.2301
PE(34:2) 0.9812 0.4416 0.6578 0.2234 0.5662 0.7605 0.4338 0.6687 0.6421 0.3257 0.8241 0.4253 1.0221 1.0201 1.2564 1.4122 2.0088 0.8636 1.5454 2.2597 1.4482 0.9679 1.6302 1.9079 1.8788 1.3144 1.7493 1.9159 1.6402 1.1217 1.9362 1.4383 1.2642 0.6553 0.9018 1.2437 0.4214 0.7978 0.5053 0.2381 0.5121 0.7149 0.9006 0.7733 0.2560 0.4220 0.5511 0.4286 1.0653 0.8588 0.9529 1.0288 1.2210
PE(36:2) 0.7975 0.4594 0.4998 0.2529 0.6182 0.8864 0.4842 0.7426 0.6599 0.4613 0.7551 0.4684 1.0684 0.9916 1.4268 1.4527 1.6769 1.5323 1.5862 1.7912 1.1449 0.8907 1.4527 1.4508 1.7386 1.1499 1.8328 1.6866 1.5640 1.3615 1.9563 1.7512 1.1870 0.7462 0.9094 1.1322 0.3855 0.8025 0.5072 0.3157 0.4675 0.6953 0.8356 0.8948 0.2536 0.4154 0.5984 0.4418 1.1067 1.2527 1.1732 1.1631 1.1242
Pentanoate 0.4640 0.1977 0.2751 0.1660 0.4052 0.9283 0.4848 0.7708 0.5705 0.3400 0.8564 0.4671 1.9584 1.1797 0.9533 1.5896 1.3557 0.6973 1.9269 1.7580 0.5334 0.6129 1.0440 1.3497 1.3890 0.9218 1.6322 1.9868 0.8805 0.5981 1.0997 0.9212 0.9819 0.5250 0.6761 0.8385 0.3553 0.9584 0.6546 0.6648 0.2614 0.2800 0.3951 0.7221 0.2647 0.2908 0.4042 0.2116 4.7433 2.7047 2.5829 2.9238 1.2465
Pentylbenzene 0.4138 0.2590 NA 0.3267 0.3871 0.8180 0.3594 0.6565 0.5981 0.3714 0.7600 0.3529 1.0591 0.8016 0.9156 1.2535 1.5482 1.3173 1.5621 1.6222 1.0316 1.5930 1.4940 1.6218 1.1193 0.6369 1.2258 1.3178 1.1648 1.0681 1.3550 1.3097 1.3669 0.7596 1.2736 1.4188 0.2856 0.5236 0.3679 0.1702 0.2652 0.4252 0.5869 0.6337 0.3767 0.6886 0.6540 0.5038 1.8981 2.9794 2.5479 2.6389 1.3151
[PG (18:1)] 1-(9E-octadecenoyl)-sn-glycero-3-phospho-(1^-sn-glycerol) 0.4439 0.8180 0.5881 1.1584 0.5079 0.9240 0.6015 0.8315 0.8546 0.6719 0.8475 0.7608 1.4073 1.1752 1.1573 1.2548 0.6307 1.1664 2.0124 1.4489 0.9477 2.4500 1.7371 1.7840 0.5941 0.8952 1.2955 0.9462 0.9667 1.0838 1.4463 2.0527 0.8965 1.1495 1.4080 1.2626 0.5505 0.5785 0.8532 0.8690 0.4855 0.5814 0.8019 2.2502 0.6548 0.4801 1.2123 0.4968 1.2425 1.4895 1.5988 1.4388 1.2266
Phe-Arg 0.6559 0.4861 0.3315 0.2589 0.6569 0.9627 0.3535 0.7241 0.6965 0.5000 0.6742 0.5380 1.5636 1.3918 1.2908 1.3584 1.8788 1.8651 1.6618 1.6000 1.7438 1.5000 1.3671 1.2450 1.1198 1.0490 1.1114 1.0460 1.2797 1.3136 1.7022 1.7303 1.2942 0.8733 0.9930 1.2798 0.4253 0.5978 0.5051 0.2701 0.6159 0.8556 0.7416 0.8253 0.3505 0.6922 0.6916 0.3092 0.9629 1.3265 1.3539 1.1093 1.2704
Phe-Gly-Pro-Pro 0.7461 0.4328 0.5252 0.2874 0.6950 0.6290 0.6238 0.6200 0.6196 0.4795 0.6787 0.4535 1.3306 1.1003 1.3805 1.7968 1.2843 1.3314 1.4404 1.7917 0.8580 0.7382 1.3929 1.2998 1.7609 1.2928 2.2523 2.0657 1.0599 1.0267 1.8397 1.5153 0.8835 0.6364 0.5240 1.0236 0.2629 0.5233 0.4705 0.2883 0.3782 0.6765 0.7780 0.8581 0.1797 0.3516 0.6122 0.4451 1.0269 2.2396 2.1326 2.2039 1.1565
Phenylpyruvate 0.0408 0.0201 0.0419 NA 0.1743 0.2687 0.1953 0.1824 0.2249 0.1685 0.2461 0.0933 1.4366 1.0360 1.3760 1.5820 1.5460 1.6555 1.8589 1.3270 1.4012 1.4948 1.4401 1.0217 0.7279 0.4951 1.0905 0.7942 0.6089 0.6632 1.2093 0.9231 0.6276 0.2913 0.5857 0.5686 0.0712 0.1424 0.1111 0.0847 0.1627 0.2047 0.3308 0.2342 0.2187 0.1978 0.2697 0.1301 2.2392 6.5636 6.3585 6.5634 0.6996
Phe-Pro-Pro 0.4922 0.8429 0.7853 0.5757 0.6819 0.8597 0.5389 0.8491 0.8728 0.9716 1.0352 1.1965 0.7977 0.5789 0.7502 0.8066 0.7098 0.3763 0.5462 0.9667 0.2726 1.2657 1.0015 0.9820 0.7264 0.6404 0.5781 0.6904 0.6028 1.0889 0.9898 0.8819 1.3683 0.8690 0.9186 1.2945 0.7723 0.9072 0.8361 0.6285 0.6105 0.7913 0.7864 1.0602 0.6260 0.7659 0.9812 0.6204 1.4959 3.3614 3.2773 4.7144 1.3599
Phosphoenolpyruvate 0.3563 0.7474 0.5046 0.4161 0.4428 0.8085 0.5337 0.9421 0.8217 0.6654 0.8138 0.7640 0.9846 0.8544 1.0006 0.9918 0.6465 1.1091 1.4057 1.4747 1.0572 2.8346 1.8473 2.1770 0.5889 0.7600 0.9676 1.0243 1.0174 1.3148 1.8049 1.7254 1.0510 1.1363 1.7611 1.5584 0.3839 0.4678 0.8534 0.4822 0.3296 0.3668 0.4118 1.2910 0.3716 0.5387 1.3827 0.3869 1.3862 1.7115 1.7715 1.7713 1.1620
PI(20:1) 0.3424 0.2521 0.2034 0.1674 0.7155 1.0057 0.6460 0.6321 0.7648 0.5780 0.7995 0.5705 1.0015 0.8239 0.9005 0.8580 1.8081 1.3320 1.1447 1.8901 1.1571 1.5230 1.4691 1.3932 0.9672 1.0002 0.9491 0.7630 1.2449 1.1883 1.6434 1.7989 1.7782 0.8484 1.3252 1.1075 0.3989 0.6332 0.5887 0.2507 0.3662 0.4038 0.4470 0.5143 0.2504 0.7421 0.6252 0.5084 1.4375 2.4653 2.9088 2.8182 1.0485
Picolinamide 0.1424 0.2481 0.2499 0.1987 0.5998 0.6178 0.5260 0.5660 0.5478 0.4754 0.7004 0.7399 1.2690 1.0233 1.6604 2.0748 1.4285 1.8125 2.0330 2.2590 1.8184 1.5110 2.1610 1.8511 1.3438 1.2362 1.6316 1.7979 1.0169 1.6819 2.1866 2.0664 0.7605 0.7090 1.3558 1.4350 0.3232 0.3238 0.4530 0.3169 0.3861 0.6079 0.8419 1.3215 0.2461 0.8518 0.7160 0.6270 0.9151 1.2574 1.3863 1.4483 1.7726
PIPES 0.1132 NA 0.0999 NA 0.6347 1.1220 0.4287 1.0481 0.6934 1.0032 0.8590 0.7542 0.8007 0.7741 1.1831 0.9866 1.0211 0.8639 1.2909 1.3819 1.1943 1.7035 1.3011 1.5306 1.4380 1.1264 1.3203 0.9093 1.4447 1.4207 1.8199 1.4194 1.4508 1.4303 1.8084 1.0954 0.5181 0.5652 0.6002 0.3915 0.3557 0.4142 0.6538 0.7955 0.6309 0.9247 1.2251 1.3597 0.8465 1.1175 1.1755 0.9862 0.9676
[PR] bacteriohopane-32,33,34,35-tetrol 0.5738 0.3109 0.3862 NA NA 1.0630 NA 0.5191 0.6322 0.3586 0.4921 0.3208 0.8670 0.5336 1.1177 0.7230 0.8235 0.8424 0.9648 1.4909 0.8217 1.3240 1.2204 1.4876 1.1292 0.5496 1.4212 1.2691 2.0553 1.6322 2.8860 2.0655 2.1260 1.6505 2.4196 1.9768 NA 0.3466 0.3020 NA NA 0.2479 0.3985 0.4714 0.4422 0.5045 0.8617 0.4693 1.0464 1.1008 1.1538 1.2248 1.2025
[PR] (+)-exo-5-Hydroxycamphor 0.6134 0.4004 0.4275 0.2685 0.6649 0.8698 0.5459 0.6315 0.8303 0.5790 0.7369 0.5022 1.2784 1.1211 1.1857 1.4212 1.7041 1.7063 1.6772 1.5108 1.4615 1.4345 1.4890 1.4737 1.2088 1.0175 1.3204 1.1450 1.5085 1.2664 1.5931 1.4523 1.5209 0.9888 1.1892 1.2586 0.4147 0.6598 0.4566 0.3303 0.4581 0.5903 0.6930 0.8037 0.5418 0.8681 0.7837 0.5417 0.9205 1.1070 1.2312 1.2145 1.3818
Pro-Arg 0.4358 0.2734 0.3255 0.1441 0.5653 0.6997 0.4925 0.6266 0.5312 0.4398 0.6709 0.4666 0.9465 0.7490 1.1044 1.3855 1.7168 1.5209 1.3179 2.0996 1.3605 1.0694 1.7098 1.5985 1.5523 1.0668 1.6103 1.5814 1.8102 1.6861 2.2670 2.0888 1.2242 0.6597 1.0840 1.3137 0.2581 0.4825 0.3393 0.1799 0.2794 0.4230 0.7246 0.6317 0.1966 0.4602 0.5521 0.5118 1.1604 1.7692 1.8161 1.8630 1.1579
Pro-His 0.4223 0.3088 0.3047 0.1533 0.5830 0.8086 0.4384 0.5449 0.6919 0.4847 0.7338 0.4578 1.1514 1.0253 1.1654 1.2162 1.8103 1.6307 1.7396 1.8844 1.4213 1.8242 1.8045 1.8125 1.0352 0.7411 1.2951 1.1063 1.2796 1.4617 1.8960 1.6572 1.5756 0.9682 1.2174 1.5004 0.2797 0.5133 0.3828 0.2293 0.3049 0.4664 0.5572 0.6203 0.4189 0.7494 0.7386 0.4879 0.9190 1.6357 1.7137 1.7360 1.0950
Prolylhydroxyproline 0.6697 0.9535 0.8845 1.0711 0.7787 0.9553 0.8454 0.8952 0.7904 0.9748 0.9242 0.9838 0.9627 0.8094 0.9303 0.8517 0.7198 0.8000 0.9533 0.9152 0.7008 1.0877 0.9162 1.0146 0.9580 0.8213 1.0513 0.8739 0.7691 0.8510 0.8303 0.9180 0.8576 0.8975 0.8874 1.0098 0.8839 0.8300 1.0403 0.9420 0.7989 0.9175 0.9693 1.4559 0.7673 0.8535 1.0650 0.8390 1.3731 2.4279 2.3494 2.2531 1.1203
Protoporphyrin 0.2666 0.3862 0.2089 NA 0.4238 0.6606 0.4751 0.5437 0.5830 0.5275 0.6445 0.6429 1.0619 0.7014 1.1637 1.4443 1.3256 1.2385 1.3087 1.6840 1.0152 1.4026 1.5321 1.7671 0.9973 0.8364 1.7488 1.1786 1.1197 1.1191 1.6273 1.5335 1.2054 0.7726 0.9248 1.3127 0.1565 0.4698 0.4032 0.2454 0.3421 0.5916 0.6419 1.6007 NA 0.5699 0.7547 0.4069 1.1311 2.2213 2.1794 2.6288 1.2725
Pro-Val-Pro-Ser 0.6584 0.7820 0.9599 1.0310 0.3397 0.6506 0.2939 0.7987 0.3893 0.3312 0.6327 0.4888 1.8183 1.6855 1.2612 1.4615 0.7346 0.8208 2.0173 1.3029 0.5342 1.1003 1.1140 1.2489 0.7778 0.9199 1.1438 1.0186 0.6913 0.6931 0.8279 1.1190 1.0763 0.6899 1.0330 1.2386 0.2556 0.6017 0.7170 0.6841 0.5464 0.9351 1.0499 3.9319 0.4693 0.3478 0.7963 NA 1.3310 1.9810 1.7981 1.5616 1.3081
PS(32:0) NA 0.1567 NA 0.2071 0.4902 0.6053 0.6800 0.6032 0.6555 0.5523 0.4907 0.4958 1.7458 1.5737 1.1882 1.1218 0.6522 1.3363 1.8426 1.2896 0.7038 2.2756 1.2687 1.2502 0.9798 0.6949 1.1279 0.9861 0.6941 1.1922 1.4101 1.8288 0.7733 0.5669 0.8078 0.7679 0.1689 0.4123 0.4302 0.2682 0.3929 0.3411 0.4932 1.0343 0.6449 0.4135 0.7720 NA 2.0214 2.9460 2.6404 3.1215 0.8840
PS(34:0) NA 0.0745 0.1218 NA 0.5173 0.8725 0.9822 0.7344 1.2864 0.7954 0.7977 0.6754 0.2975 0.6314 0.2304 0.3437 0.5904 0.9731 0.6337 0.5742 2.3829 1.1245 2.1380 1.3090 0.3360 0.3115 0.3342 0.3820 0.9122 0.9536 1.3355 0.7382 1.2405 1.1711 1.1053 2.7887 0.1650 0.2727 0.2417 0.2710 NA NA NA NA 0.2801 0.9139 0.9998 0.6371 1.9414 3.3461 3.1167 2.9750 2.1442
PS(35:0) NA 0.7039 0.3271 6.6568 0.5702 0.3550 1.4049 0.5631 0.3908 0.8849 0.2469 1.3995 2.9091 3.9666 1.4870 1.0529 0.2468 0.6857 2.1003 0.4719 0.4469 0.8525 0.4835 0.5009 0.2819 1.4267 1.5100 0.4290 0.2613 0.6243 0.8683 1.0096 0.3744 0.6940 0.2549 0.4898 0.3385 0.1928 0.9368 2.2131 0.5975 0.3258 0.2159 2.9769 3.7934 0.3202 0.5995 0.3450 0.8044 0.9314 0.7618 0.7665 0.8696
PS(36:0) NA 0.2249 NA NA 0.4642 0.6370 NA NA 0.3900 0.3210 0.3743 0.3045 1.0626 0.8907 1.1622 1.3521 1.3872 1.4136 1.2191 1.3548 1.0931 1.6538 1.6446 1.3011 0.9031 0.8266 1.2154 0.9172 1.0916 1.2421 1.3066 1.3867 1.3079 0.8773 1.0366 1.0126 NA 0.3097 0.3613 NA 0.4738 0.3036 0.3679 0.3749 NA 0.7956 0.7896 0.3309 1.4520 2.3692 2.4026 2.3922 0.9023
Pseudouridine NA 1.0446 NA 1.5964 0.3032 0.1776 1.2400 0.1417 0.3776 0.7294 0.1301 1.2318 2.8432 1.3865 2.6100 2.5138 NA 0.9674 2.7139 0.6547 0.1543 2.1429 0.6889 0.3473 0.5219 1.2400 2.8049 1.0775 NA 0.6547 0.8541 2.1967 NA 0.3725 0.1348 0.1678 0.2434 NA 0.5644 2.2652 0.4513 0.1767 0.2071 1.2573 NA 0.1157 0.8753 NA 0.7299 0.8388 1.2919 1.1152 0.8477
psicoselysine NA NA NA NA NA 0.4151 NA NA 0.3488 NA 0.2959 NA 0.7451 0.7602 0.8226 0.9951 1.5413 1.1435 1.7244 1.9005 1.3214 2.0651 1.8922 1.5944 0.8554 0.2445 0.7846 0.7100 0.8259 0.9937 1.8563 1.2648 1.7251 0.6893 0.8009 1.4353 NA 0.1855 NA NA NA NA NA 0.2395 NA 0.2703 0.3322 NA 1.8632 0.8301 0.9320 0.8300 0.7659
Pyridoxamine phosphate 1.2256 0.6601 0.8378 0.3274 0.4735 0.7703 0.2594 0.6148 0.7145 0.4706 0.8749 0.5120 1.2001 0.8236 1.1200 1.5463 1.5962 1.1955 1.4139 1.5447 1.1012 0.9652 1.5460 1.7765 1.3787 0.9497 1.2256 1.3299 1.1811 0.9156 1.3347 1.3006 1.5789 1.3375 1.2374 1.4359 0.4285 0.9219 0.4643 0.2324 0.5850 0.9669 0.9705 1.1676 0.3695 0.6315 0.7718 0.4864 1.1386 1.2978 1.3955 1.3626 1.0335
Pyrophosphate NA 0.3946 0.8024 NA 0.6192 0.7471 0.3872 0.8948 0.6273 NA 0.4385 0.7078 NA NA 0.4097 0.4636 0.8778 0.3217 NA 1.0862 NA 0.7737 NA NA NA 0.4067 NA 0.9004 0.3608 0.4272 NA 2.0474 0.8920 NA 0.4024 0.3486 NA 0.3551 0.2111 NA 0.3132 0.8398 NA 1.9605 NA 0.8097 4.2908 1.2941 0.3349 0.6409 0.9484 0.9925 1.1340
quinonoid dihydro-(6H)-biopterin NA NA NA NA NA 0.2466 0.1931 NA 0.1619 NA NA NA 0.4674 0.3382 0.2415 0.3039 1.4169 2.5049 1.4814 1.1287 4.9767 2.1210 3.2833 2.3700 0.2351 NA 0.2996 0.2454 0.5582 0.6579 0.6956 0.2777 0.6146 0.3369 0.8318 1.2910 NA NA NA NA NA NA NA NA NA NA NA NA NA 0.4177 0.5444 0.5315 1.2269
(R)-2,3-Dihydroxy-3-methylpentanoate 0.2075 NA 0.1811 NA 0.5004 0.5806 0.2939 0.6611 0.8038 0.6191 0.8762 0.6651 1.2767 0.6937 1.2210 1.3182 1.5708 1.4548 0.8070 1.5307 1.3319 1.1547 1.4658 1.3195 1.2979 0.7922 1.2078 1.3963 1.5178 1.2617 1.2120 1.4009 1.6937 0.8737 1.1450 1.0759 0.4641 0.5498 0.6157 0.2419 0.4973 0.5765 0.6296 0.4905 0.2866 1.2952 0.5831 0.6073 1.5181 2.1769 2.0394 2.0102 1.0094
Riboflavin cyclic-4^,5^-phosphate 1.5774 1.0451 1.1522 0.9378 0.5336 0.8480 0.1966 0.7188 0.7446 0.4565 1.0285 0.6241 0.7600 0.5288 0.6237 1.0261 1.4084 0.7219 0.7123 1.0530 1.0520 0.8635 1.0859 2.0010 1.0197 1.0860 1.0265 1.3825 1.0090 0.6428 0.8660 0.8130 1.4016 0.8656 0.8764 1.2489 0.4877 1.0951 0.8122 0.4068 0.8223 1.3212 1.5120 1.6441 NA 0.4996 0.6983 0.4073 1.2642 2.1422 2.2407 2.4683 1.0932
Ribothymidine NA NA NA NA 0.5218 1.0026 0.4937 0.5481 0.5756 0.3864 0.4623 0.4697 1.1338 1.2158 1.1494 1.2119 1.9035 1.9844 1.9064 2.1950 1.4506 1.9390 1.9588 1.6689 0.8121 0.6283 1.2203 0.8892 1.3236 1.1390 1.7728 1.5238 1.0988 0.8546 1.1595 0.9197 0.2120 0.4100 0.4044 0.2635 0.2687 0.4403 0.6492 0.8564 0.2528 0.6634 0.5879 0.4636 1.0544 1.4141 1.4069 1.1416 0.9913
Rosiglitazone 0.8474 0.8787 1.0390 0.9394 0.9354 0.9192 0.8484 1.1437 0.9597 0.8840 1.2164 1.0455 0.9441 0.9534 0.9640 1.0525 0.8648 0.8296 0.9060 1.0389 0.6755 1.1015 0.9397 1.1079 0.9912 0.9047 0.9589 1.1293 0.8808 0.8658 0.8899 1.1062 0.9439 1.0471 0.9231 1.0794 0.9448 0.7919 1.1219 0.9468 0.8158 1.0155 0.8790 1.0578 0.7194 0.8744 1.2478 0.9659 0.7180 1.5582 1.8207 1.4957 1.1270
(S)-1-Pyrroline-5-carboxylate 0.6529 0.9255 0.9905 0.6408 1.2420 1.4963 1.3317 1.3871 1.2483 1.2473 1.2793 1.1784 0.9461 0.8403 0.9826 0.9825 0.9348 1.0188 0.7126 0.9428 0.9801 0.8813 1.0871 0.9469 1.2533 1.1550 1.0413 1.1841 0.9766 0.8981 1.0406 0.8905 1.0052 1.1352 1.0372 1.0918 1.0734 1.1913 1.2859 1.2213 0.9675 0.9959 0.9544 0.9489 0.6225 1.4028 1.1366 1.2905 1.1360 1.1201 1.0035 0.9932 0.9966
S-Adenosyl-L-homocysteine 0.3126 0.2636 0.2395 0.1713 0.4247 0.7177 0.3808 0.4946 0.5964 0.4681 0.6785 0.4694 0.9854 0.7621 0.9177 1.0330 1.4406 1.3155 1.6224 1.6059 1.2563 1.9526 1.9572 2.0607 0.8574 0.6216 1.0146 0.9282 1.1322 1.1591 1.6868 1.4416 1.6105 0.9377 1.2785 1.5824 0.2472 0.4501 0.3589 0.2141 0.2105 0.3592 0.4394 0.6663 0.3093 0.6995 0.7251 0.4252 1.4048 2.9309 2.9958 2.9902 1.1965
S-Adenosyl-L-methionine 0.3571 0.1836 0.2372 0.0904 0.2924 0.6045 0.2699 0.3568 0.4883 0.2757 0.5065 0.2516 1.1461 0.9442 1.0495 1.1763 2.6597 2.2648 1.5719 2.2881 2.3494 1.5589 2.3719 2.2434 1.4787 0.7453 1.2215 1.2132 1.8947 1.3579 1.9785 1.4222 1.6344 0.7390 1.2059 1.4702 0.1580 0.3670 0.2235 0.1368 0.2798 0.4028 0.5709 0.4672 0.1681 0.5055 0.4306 0.2986 1.3622 1.4469 1.4613 1.6359 1.1852
(S)-AMPA NA NA NA NA 0.2749 0.6477 0.2798 0.1933 0.5226 NA 0.4622 NA 1.2187 0.9526 0.9932 1.6066 2.1936 1.6534 1.3485 1.2505 1.2161 1.1188 0.8730 0.8131 1.5499 0.8964 1.1983 1.2729 1.2849 1.4676 1.5046 1.2285 1.1014 0.5083 0.9337 1.1147 NA 0.1847 NA NA 0.1726 0.1909 NA NA NA 0.2606 0.3141 0.1618 1.3542 1.8563 1.6922 1.7793 1.3534
(S)-ATPA 0.2520 1.2675 0.4613 0.3213 1.0420 0.5366 0.6287 0.9403 0.6098 1.1771 0.6552 0.2947 1.1539 1.1279 0.4769 0.5398 0.5819 0.5272 1.6183 1.1294 1.1578 0.2129 1.3098 1.3374 0.0898 1.7449 1.7401 0.7840 0.4603 2.1179 1.9845 1.1780 1.3335 1.6403 0.5099 1.5141 0.5120 0.5355 1.4688 2.8550 1.3756 0.3793 0.2195 1.7468 0.8172 0.4454 1.2451 1.0618 0.8642 1.3033 1.1985 1.2324 1.2826
Secobarbital 0.6787 0.6137 0.4935 0.2677 0.6403 0.7873 0.4869 0.6840 0.9938 0.5534 0.8820 0.5910 1.4374 0.9384 1.2024 1.5038 1.4237 1.4844 1.2803 1.6041 1.3279 1.1224 1.6309 1.6243 1.3602 1.0560 1.3714 1.4622 1.0440 0.9103 1.4290 1.2485 1.4218 1.0861 1.0678 1.3136 0.5266 0.7222 0.5441 0.4004 0.4972 0.6708 0.8647 0.9699 0.3577 0.5264 0.7611 0.3823 1.0999 1.4866 1.5637 1.5412 1.0622
Semilepidinoside A NA 0.2932 0.0312 0.9638 0.7922 0.4559 3.1091 0.5089 1.0495 1.8412 0.2861 2.0544 2.1336 1.5343 1.5007 1.5784 0.0649 1.1117 3.3367 0.5577 0.3048 3.2713 0.8839 0.4070 0.3656 0.6900 1.7606 0.4772 0.0799 0.6707 0.9136 2.0359 0.2118 0.4291 0.2315 0.3130 0.3311 0.0676 1.0354 2.5218 0.3351 0.1533 0.1972 1.2198 2.3323 0.2130 1.4501 0.1311 0.7193 1.2830 1.3767 1.4515 0.9319
Shikimate 0.4902 0.4062 0.5415 0.5514 0.5463 0.6901 0.6296 0.7233 0.6644 0.5505 0.7184 0.4877 1.6209 0.9526 1.1381 0.9579 1.2383 0.9383 1.8021 1.8213 1.1548 1.5304 1.5830 1.8003 1.1353 0.7932 1.3787 1.3926 1.6076 1.4390 1.9506 1.8265 1.2487 0.7649 1.3127 1.2809 0.4246 0.6108 0.5411 0.6179 0.5787 0.6347 0.6416 1.4665 0.4531 0.6604 0.7096 0.5444 1.4602 2.0431 2.0083 2.1919 1.3937
sn-glycero-3-Phosphocholine 0.3747 0.5978 0.3090 NA 0.7897 0.8778 0.2779 0.4075 0.7478 0.6242 0.8207 0.3185 1.2728 0.9870 1.2324 1.4319 2.3634 1.5973 1.3514 1.5512 1.1367 1.6251 1.4072 1.3093 1.2110 0.9346 1.1272 1.1248 1.2176 1.4082 1.3652 1.4754 1.6123 0.9368 1.1622 1.2899 0.3247 0.7164 0.5106 0.2355 0.3763 0.5969 0.6664 0.5990 0.2238 0.7805 0.8703 0.5251 1.2011 1.5189 1.5318 1.8970 1.1493
sn-glycero-3-Phosphoethanolamine 0.1467 NA 0.0723 NA 0.1377 0.4320 0.3242 0.2695 0.2552 0.1423 0.1688 NA 1.1859 1.5997 0.8312 0.6466 2.1415 3.0465 1.3805 1.6213 3.5472 1.2063 1.5557 1.1085 1.2184 0.8418 1.0669 0.6784 1.4361 1.1869 1.8179 1.0426 0.7734 0.6085 0.7675 1.1292 0.0867 0.1596 NA NA NA 0.1260 0.1462 0.1075 0.1480 0.5784 0.4323 0.1715 1.7965 2.5823 2.4209 2.3803 1.4765
sn-Glycerol 3-phosphate 0.5316 0.2583 0.4732 0.1772 0.3440 0.6684 0.3684 0.4114 0.4874 0.3255 0.4645 0.2152 1.7580 1.4680 1.6645 1.4090 1.9036 2.3108 2.0721 1.5568 1.9314 1.6502 2.1742 1.4818 1.5286 0.9209 1.3077 1.2451 1.2954 0.8763 1.6244 1.3199 0.7872 0.4276 0.6898 0.9978 0.1230 0.2739 0.1505 0.1114 0.3990 0.4599 0.6695 0.5270 0.3035 0.8524 0.6118 0.2685 1.4749 2.2482 2.2509 2.1129 1.0364
[SP hydroxy,hydroxy,methyl(10:2/2:0)] 6R-(8-hydroxydecyl)-2R-(hydroxymethyl)-piperidin-3R-ol 0.5640 0.5027 0.4514 0.3247 0.8267 1.0049 0.7693 0.8808 0.9955 0.7700 0.9859 0.8759 1.0404 1.0735 1.0527 1.1130 1.1269 1.2529 1.0596 1.2746 1.1039 1.2431 1.3252 1.1693 1.0488 0.8946 1.1252 1.1485 1.3039 1.2171 1.3445 1.2288 1.4895 1.3575 1.3492 1.3346 0.6343 0.6207 0.6340 0.5287 0.6134 0.5556 0.7646 0.8964 0.5361 0.9201 0.7986 0.8253 1.0950 1.5852 1.6693 1.6350 1.0583
(S,S)-Np-Histidinylalanine 0.2070 0.3979 0.3669 0.3873 0.8192 0.9678 0.5021 0.7074 0.9559 1.1793 0.9576 1.0704 0.7388 0.6490 0.5317 0.5558 0.7734 0.7312 0.9105 0.8666 0.6642 1.5479 1.0091 0.9642 0.8169 0.5234 0.7690 0.5226 0.8282 1.0697 0.9724 1.0021 1.8066 1.3212 1.2141 1.6932 0.4292 0.4904 0.6157 0.4624 0.4011 0.5335 0.4515 0.4937 0.4964 0.9443 1.2003 0.7677 2.0179 3.8092 3.8428 3.8772 1.1663
Stigmatellin Y 0.2295 0.2541 0.2257 NA 0.5039 0.8203 0.2773 0.5136 0.4812 0.2999 0.5965 0.2448 1.5958 0.9893 1.3308 1.1270 1.8327 1.3419 1.5490 1.5106 0.9871 1.5325 1.2714 1.1916 1.3944 0.8004 1.2434 1.1575 1.1979 0.9877 1.7487 1.3757 1.3511 0.5450 0.9633 1.1104 0.1813 0.4394 0.2594 0.1022 0.3197 0.4494 0.5413 0.4597 0.2357 0.5420 0.7492 0.3624 1.6379 3.1010 3.4730 3.4749 1.0895
[ST Oxo(3:0)] 3-Oxochola-1,4,6-trien-24-oic Acid 1.1080 1.0066 0.7292 0.5009 0.8936 1.3968 1.1612 1.5067 1.2433 0.9030 0.8273 0.7908 1.0944 0.8175 0.8814 0.9062 0.9152 0.9128 1.1441 1.2901 1.0173 1.3056 1.2793 0.8931 0.7891 0.9469 0.9023 0.8576 0.8190 0.8987 1.0167 1.3250 1.3914 1.0694 0.9048 1.1382 0.6352 0.9991 0.7761 0.7803 0.6119 0.5562 0.3634 0.8889 0.8258 0.9582 1.2381 0.8171 1.1973 1.6155 1.1654 1.5898 1.3977
Subaphyllin NA NA NA NA 0.0727 NA 0.3535 0.1530 0.1533 NA 0.1104 NA 1.2535 2.0118 2.4774 2.5342 2.2152 3.5120 2.6682 1.7764 1.1385 1.3157 0.2707 0.5241 0.6077 0.3174 2.5691 1.4077 1.4562 2.2044 2.8490 2.0278 0.5044 0.0775 0.4519 0.4982 NA NA NA NA 0.0972 0.3083 0.4614 0.5493 0.0600 0.5229 0.1650 NA 0.2752 0.2718 0.2474 0.3349 0.1945
Succinyladenosine 0.8160 0.5599 0.5914 0.3100 0.7320 1.0322 0.5207 0.8703 0.9419 0.5938 0.9264 0.6429 1.1570 1.0270 0.9509 1.1957 1.7264 1.5855 1.5960 1.8820 1.6986 1.7416 2.0077 2.0331 1.0487 0.8783 1.0186 1.1775 1.7382 1.4758 1.7855 1.5298 1.7862 1.2910 1.7857 1.7301 0.4285 0.8498 0.5676 0.4640 0.4071 0.5615 0.5405 0.8656 0.4224 0.7497 0.8959 0.4618 1.0816 1.1861 1.2468 1.1582 1.3082
Succinyl proline 0.1353 NA 0.0987 NA 0.6667 0.7024 0.4995 0.7562 0.7962 0.7452 0.8610 0.7032 1.0633 0.3699 0.6806 0.8785 1.4343 1.1842 1.0318 1.2369 1.0519 1.9513 2.5002 1.7616 1.0147 0.6119 0.6099 0.7216 0.9617 0.7204 1.0213 0.9747 1.8463 1.0255 1.5838 1.1792 0.3309 0.4425 0.3915 0.1707 0.2254 0.3229 0.3396 0.2144 0.2171 0.7517 0.5579 0.6968 2.0995 3.1666 3.3951 3.1626 1.1351
Sulfate 0.1420 0.0404 0.1024 0.0395 0.1364 0.2274 0.2603 0.2034 0.2895 0.1982 0.3304 0.1301 0.6300 0.7286 1.4199 2.3366 2.3767 3.7256 3.0374 2.8281 1.8485 1.3045 1.6659 1.4283 0.9623 0.6066 2.0463 1.9975 1.5633 2.1568 3.8297 2.2894 1.0145 0.5640 1.1077 1.3519 0.0367 0.0577 0.1128 0.0371 0.1021 0.1850 0.3707 0.8454 0.1005 0.6175 0.3126 0.1382 0.7031 1.1125 1.1503 1.3319 0.8654
Tadalafil 0.5968 0.4751 0.4477 0.1535 0.6453 0.8983 0.5882 0.6281 0.8524 0.6245 0.7993 0.6032 1.2139 1.1012 1.1837 1.4163 1.5494 1.7483 1.8680 1.7412 1.7404 1.7115 1.8876 1.6621 1.0300 0.9643 1.0492 1.0362 1.3905 1.2992 1.7654 1.4365 1.5779 0.9745 1.4254 1.6791 0.3913 0.6684 0.5146 0.4443 0.4917 0.4144 0.5720 0.7599 0.5210 0.9338 0.8286 0.6395 1.0407 1.3363 1.1485 1.2468 1.1666
Temurin 0.1344 0.1305 0.1209 0.2345 0.5013 0.7761 0.4437 0.4998 0.5320 0.5887 0.6547 0.3961 1.1404 1.0014 0.8838 1.3127 1.7346 1.3313 1.7688 1.7570 1.2205 1.9220 1.5719 1.6715 0.9074 0.7091 1.0538 1.0859 1.4614 1.4943 2.3086 1.8116 1.5401 1.0496 1.9307 1.4690 0.2814 0.4747 0.4306 0.2937 0.3032 0.3903 0.4494 0.5593 0.3949 0.7569 0.8409 0.7979 1.2446 2.1770 1.9937 2.1967 1.1912
Tetraacetylethylenediamine 0.3451 0.3325 0.2983 0.1328 0.6282 0.9023 0.4466 0.8793 0.9853 0.5642 0.7375 0.7042 1.1028 1.0926 1.4736 1.4106 1.5170 1.1249 1.5519 2.0555 0.7884 1.0108 1.2389 1.7483 1.5691 1.2472 1.5493 1.7945 1.0849 1.1096 1.5429 1.4468 1.1449 0.9084 1.2473 1.3135 0.4303 0.7902 0.5984 0.4201 0.3450 0.5050 0.5614 1.0605 0.1487 0.4828 0.9512 0.5373 1.4245 1.4816 1.2390 1.4876 1.5063
Thiamin diphosphate 0.7215 0.6092 0.6146 0.7120 0.7806 0.8061 0.8843 0.7000 0.9355 0.8206 0.9322 0.7120 1.1172 0.9997 1.1153 1.2610 1.4760 1.6735 1.3432 1.4752 1.5900 1.6482 1.6560 1.4360 0.9723 0.7886 1.0523 1.1698 1.2318 1.2927 1.6446 1.3257 1.2558 1.0699 1.4369 1.2503 0.5771 0.7201 0.6576 0.6460 0.6401 0.6518 0.7207 0.8213 0.8066 0.9029 1.0524 0.7618 0.9602 0.9971 1.0831 1.1937 1.0412
Thr-Arg 0.7932 0.6263 0.7280 0.4294 0.6526 0.9176 0.5530 0.8794 0.7830 0.5404 0.9215 0.6357 1.0870 0.8403 1.5037 1.8060 1.4992 1.2880 1.3132 1.8312 1.0351 0.5543 1.1661 1.6215 1.4804 1.2483 2.0823 1.7134 1.3434 1.2171 1.6960 1.7539 1.3758 0.7997 0.8179 1.1670 0.4987 0.9162 0.6096 0.3808 0.5541 0.8106 1.0717 0.9164 0.0909 0.4721 0.7258 0.4957 1.2915 0.9697 1.1180 1.1789 1.1966
threo-Syringoylglycerol 0.2153 NA 0.3464 NA 0.2096 0.5377 0.3471 0.3045 0.8049 0.4174 0.5975 0.2344 1.2298 1.0312 0.9458 1.3985 1.1564 1.9394 1.9681 1.4423 1.6980 1.7830 1.8824 1.6630 0.8481 0.6903 0.8414 0.9659 1.0799 1.0768 1.7869 1.3444 1.4747 0.7902 1.0620 1.1039 NA 0.3076 NA NA NA 0.2195 0.2214 0.2716 0.3205 0.8103 0.8249 0.2708 1.3117 2.1220 2.1727 1.9837 0.9459
Thr-Pro-Pro 0.2287 0.2346 0.3862 0.4525 0.4497 0.8221 0.4619 0.5091 0.5283 0.4816 0.6195 0.3707 1.4862 1.2661 2.1759 2.3626 1.9476 1.3906 2.3267 1.9622 1.3741 1.3982 1.6179 1.6182 1.0664 0.9442 2.1290 1.8694 1.2036 1.0347 1.8338 1.2823 0.9605 0.7404 0.9845 1.1963 0.3043 0.6375 0.5086 0.4508 0.2618 0.5247 1.0473 0.9370 0.2997 0.5163 0.4444 0.4174 0.9780 2.0087 2.2784 2.3244 1.7665
Thymine 0.1678 0.1202 0.2897 0.1737 0.1533 0.2035 1.0620 1.4097 0.1504 0.1413 2.9028 2.3423 0.2677 0.3021 1.3344 1.4187 0.4288 0.3480 0.8490 1.7962 0.2362 0.2305 2.7711 2.3906 0.4802 0.2634 1.6605 1.5120 0.2715 0.2313 1.8346 1.5332 0.3253 0.1865 2.0884 2.0991 0.1029 0.1806 1.1861 0.8748 0.1398 0.2082 1.1209 1.1786 0.0706 0.1635 2.3553 2.9111 1.5868 1.9654 1.9407 1.9030 1.1355
trans-Hexadec-2-enoyl-CoA 1.0658 1.1133 0.8673 1.2186 0.5706 0.9532 0.4984 0.9780 1.3349 1.0937 1.1371 1.1211 1.1509 0.8282 0.4719 0.8241 0.6544 0.6466 1.6673 0.6953 0.6565 1.3839 1.3817 1.4570 0.7619 0.9562 0.7596 0.9021 0.8706 0.7297 0.9364 1.1482 1.8256 1.5454 1.4045 1.6531 0.5658 0.9238 0.9445 0.8434 0.5861 0.8154 0.8061 1.5565 1.5484 0.7020 1.3231 0.5029 0.2370 1.2989 1.0110 1.1184 0.9538
Tributyl phosphate 0.4179 0.5968 0.4138 1.0806 0.6936 0.8499 0.8915 0.7821 0.7027 1.0872 0.7179 0.7448 1.7253 1.7909 1.5581 0.8842 0.7803 0.8363 1.8183 0.9759 0.6158 1.6343 0.9196 0.9802 1.1479 0.7955 1.4343 0.8122 0.8858 0.8363 1.0236 1.8271 0.9816 1.0537 1.0023 0.9445 0.7162 0.6417 0.7890 1.1309 0.5636 0.6124 0.6741 1.5613 0.6308 0.8508 1.0563 0.9154 0.7825 1.6486 1.5268 1.6752 0.9815
tropine 0.1540 0.1374 0.2438 0.2345 0.4247 0.5722 0.7284 0.6982 0.2781 0.3538 0.6332 0.4629 1.4634 1.4883 2.0629 2.5675 1.2776 1.5666 2.7652 1.8102 1.0982 1.5346 1.6525 1.5273 0.8444 1.1257 2.0734 1.9607 0.9473 1.3204 1.7089 1.9436 0.6248 0.5211 0.9728 0.8952 0.2407 0.3747 0.4828 0.4205 0.3520 0.6130 0.8680 1.3382 0.3178 0.7191 0.6536 0.5662 0.3912 1.0397 1.1274 1.4474 1.3739
Trp-Ala 1.4813 0.9571 0.9716 0.8520 0.5456 1.0387 0.4236 0.9669 1.1766 1.0096 1.2432 1.1244 0.8909 0.7968 0.4135 0.7674 0.9049 0.5928 1.2876 0.8417 0.6897 1.1600 1.5537 1.6611 0.9127 0.8680 0.7384 1.0603 1.0463 0.7589 1.0521 1.0766 1.8831 1.6199 1.5026 1.9238 0.5947 1.1890 0.8428 0.6647 0.6062 0.9126 0.8006 1.5971 0.6488 0.7662 1.2911 0.7369 0.9738 1.9338 1.9604 2.0860 1.4217
Tryptophyl-Proline 0.4394 0.3601 0.3203 0.2641 0.6003 0.8425 0.4413 0.4839 0.7358 0.5208 0.8766 0.5848 1.0496 0.8803 0.8665 0.9259 1.4275 1.1880 1.2781 1.3998 1.2348 1.8601 1.7253 1.5958 0.9387 0.7351 0.9519 0.8303 1.2039 1.0751 1.2029 1.1962 1.9046 0.9856 1.2083 1.4611 0.2952 0.5346 0.4586 0.2851 0.3323 0.4971 0.5107 0.6923 0.3956 0.6763 0.8135 0.5158 1.7805 2.8668 2.7800 2.8048 1.1653
Tyrosyl-Valine 0.5807 3.0033 1.4177 7.8559 0.6572 0.6748 1.6447 0.6087 0.4936 0.7630 0.5714 0.9680 0.7100 1.5255 0.2900 0.4124 0.2506 0.4399 NA 0.3386 NA NA 0.4040 0.2635 0.4582 NA 0.5682 NA 0.0941 0.2393 NA NA 0.2418 0.4069 0.3132 0.4344 0.6917 0.4761 1.1740 2.2530 1.0478 0.9090 1.0586 3.2867 0.8745 0.4056 0.9026 0.5103 1.0051 1.3010 1.2683 1.3422 0.8640
UDP 0.2591 3.1816 1.4034 1.4574 0.9128 0.7683 1.1393 1.0791 1.2887 1.2193 0.7288 0.9926 NA NA NA NA NA NA NA 0.1363 NA NA NA NA NA 0.2879 NA 0.3063 NA NA NA NA NA NA 0.2978 NA 1.4115 0.5548 1.4621 1.0938 2.2076 1.4649 1.5403 1.5256 NA 0.3401 0.3122 0.2372 0.7612 NA NA NA 0.6299
UDP-2,3-diacetamido-2,3-dideoxy-α-D-glucuronate 0.3245 NA NA NA 0.5233 0.7245 0.7080 0.5231 0.8560 0.3069 0.5534 0.2355 0.9755 1.1922 0.7791 0.8886 1.9067 2.1620 1.1327 1.1170 2.5395 1.2087 2.4853 1.5603 1.1885 0.7903 1.3065 1.2375 1.8063 1.5405 1.8544 1.0385 0.9127 0.5804 0.8108 1.7964 0.1686 0.5225 0.1896 NA 0.1854 0.2942 0.4405 0.3348 NA 0.6146 0.5826 0.2683 1.2906 1.3291 1.4965 1.3230 1.3940
UDP-N-acetyl-D-galactosamine 0.6741 0.4810 0.3838 0.2231 0.6349 0.9773 0.5007 0.5179 0.5751 0.4482 0.8670 0.3202 1.1668 0.8858 1.3153 1.3276 1.4118 1.1557 1.1844 1.5482 0.7112 0.8828 1.3357 1.2335 1.7456 1.2023 1.9184 1.6021 1.4711 1.2262 1.5983 1.6091 1.1756 0.9203 0.7637 1.1029 0.4000 0.7908 0.6070 0.3411 0.5006 0.6548 0.9099 0.8547 0.2507 0.3922 0.6396 0.4114 1.3367 2.1332 2.2424 2.3331 1.1043
UDP-N-acetylmuramate NA NA NA NA 0.7582 0.8738 0.6021 0.5518 0.8330 0.5243 0.7830 0.4891 1.2224 0.9774 0.8072 1.0032 1.7071 1.5906 1.1607 1.4291 1.3227 1.3877 1.4687 1.5882 0.7809 0.6079 0.8869 0.7606 1.5897 1.3500 1.8337 1.2922 1.5417 0.5967 1.0684 1.2688 0.1921 0.4446 0.2981 NA 0.3609 0.2583 0.4407 0.3077 0.2857 0.6849 0.7139 0.7010 1.3099 2.0639 2.0385 2.2082 1.0337
UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-2,6- diaminopimelate 0.1231 NA 0.1043 NA 0.5378 0.3807 0.3573 0.4836 0.3791 0.3282 0.5656 0.1911 1.4593 1.1027 1.4422 1.2973 3.2196 2.5828 0.4935 2.0632 2.7505 1.1912 1.4981 1.8381 2.5562 1.5091 1.3177 2.3222 3.0830 2.0390 1.8043 1.1889 1.2385 0.5684 1.2194 0.9976 0.4316 0.4459 0.4007 0.1178 0.6680 0.8789 1.1667 0.9442 0.1443 0.8465 0.5289 0.1817 0.8865 0.8528 0.6536 0.6035 0.6792
UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-6-carboxy-L-lysyl-D-alanyl- D-alanine 0.0693 0.0409 0.0447 0.0268 0.2779 0.4389 0.4024 0.3023 0.4945 0.4829 0.5446 0.2674 1.3232 0.9484 1.1232 1.5130 1.5036 2.0893 1.6453 1.5123 1.7190 1.9094 1.5022 1.5152 0.8134 0.5921 1.2289 0.9724 1.4719 1.5698 2.5823 1.8919 2.1486 1.3912 2.3898 2.0974 0.1762 0.2718 0.2908 0.1827 0.3224 0.3625 0.5227 0.3675 0.6665 1.2077 1.1977 0.8743 1.2761 1.0913 1.0916 1.1034 1.1482
UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-meso-2,6-diaminoheptanedioate-D-alanine 0.2179 NA 0.3153 NA 0.4969 0.9208 0.3792 0.6769 0.3929 0.1332 0.8467 0.1628 0.7234 0.7508 0.8493 1.0009 2.9150 2.4846 1.4401 2.3478 2.6619 1.2178 1.6913 1.7357 1.0772 0.6606 0.7443 1.0078 2.0925 1.1835 1.3008 1.2675 1.5169 0.8404 1.5251 1.2450 0.1340 0.6628 0.3197 NA 0.3108 0.5911 0.6891 0.3922 0.1859 1.4164 0.2017 0.6609 1.1195 1.1719 1.1395 1.2235 0.9582
UMP 0.6773 1.6011 1.5261 NA 1.5345 1.5621 1.8035 1.6479 1.1963 0.1472 1.0891 0.8756 0.6951 1.2337 1.4734 1.6969 0.9397 1.0889 1.3981 1.8969 0.4972 0.8791 0.3330 0.6410 0.2087 1.5147 0.9076 2.3519 1.7316 0.7512 0.4835 1.5765 1.1368 0.4138 0.9187 0.8523 NA 0.9684 0.9616 0.1943 0.7253 1.5642 0.1571 0.6425 0.3345 2.0165 2.8847 1.2585 1.1770 0.4902 0.6719 1.1098 0.9857
Uracil NA NA NA NA NA 0.5497 NA NA NA NA 0.3557 NA 1.2713 0.5490 1.2165 0.5477 1.3288 1.0969 0.7370 1.0742 0.4948 1.2190 1.1078 0.8561 0.8224 0.3095 1.2456 0.5471 1.1262 0.7988 1.2054 1.7832 1.1002 0.2589 0.3627 0.4137 NA NA NA NA NA 0.1493 0.3185 NA NA NA 0.2905 NA 1.6403 2.8397 2.9059 2.5243 0.9534
Urate 0.4756 0.3534 0.4773 0.1717 0.6344 0.7905 0.7688 0.6642 0.8055 0.6018 0.6854 0.5224 1.4534 1.6614 1.5866 1.5737 1.9423 2.0934 1.1759 1.4876 2.3929 1.2115 1.7852 1.2887 1.5485 1.1983 1.4586 1.4099 1.5006 1.3060 1.3468 0.9337 0.9954 0.8877 0.8392 1.1518 0.5426 0.7070 0.5892 0.4975 0.6514 0.6730 0.7094 0.6595 0.3252 0.9912 0.7433 0.8055 1.4523 1.6868 1.6680 1.6065 1.4903
Uridine 0.0058 0.5251 0.0378 2.2338 0.5201 0.2688 2.0291 0.2905 0.6539 1.2567 0.1687 1.6581 2.7494 2.5085 1.6218 1.7635 0.0408 0.9029 3.0986 0.4472 0.1848 2.2827 0.5657 0.3032 0.4630 1.0718 2.5296 0.6684 0.0951 0.8630 1.0461 2.3720 0.2663 0.5063 0.2317 0.3789 0.3264 0.0564 0.8447 2.6626 0.3125 0.1210 0.1592 1.2213 2.9285 0.2777 1.3714 0.1034 0.7550 1.3779 1.4125 1.5212 0.9387
Urocanate 0.1979 0.0967 0.2130 0.0798 0.2852 0.5549 0.4510 0.3169 0.4205 0.2452 0.3710 0.2100 1.8595 1.5708 1.7599 1.2781 2.9920 2.8091 2.1539 2.3918 2.8340 1.3643 2.3359 1.5977 1.8169 1.0003 1.6561 1.3447 2.0745 1.3988 1.9358 1.1115 0.7697 0.4891 0.5912 0.9936 0.2757 0.3240 0.3127 0.2277 0.3548 0.3994 0.6560 0.4656 0.2225 0.4738 0.4966 0.2890 1.7278 0.6342 0.6758 0.6475 1.2454
UTP 1.0118 NA 0.3795 1.3604 0.3960 0.8278 1.6933 0.3770 NA 0.4530 0.2522 NA 2.1213 NA 0.7317 NA 0.2892 0.4840 NA NA 1.0327 1.3574 1.0221 3.0529 0.8597 NA NA 1.7266 NA 1.1306 0.6764 1.8568 1.0440 0.4441 2.8024 1.6216 0.2868 0.6846 0.4263 0.8887 1.8565 1.0876 1.0584 NA 1.0427 0.6701 1.3360 0.3907 NA 1.2364 1.3038 1.2252 0.7330
Val-Arg 2.1380 2.5279 1.6659 3.3182 0.7924 0.6317 NA 1.3951 1.2447 0.5338 NA 0.6640 NA 0.4563 NA NA NA NA NA NA NA 0.4768 NA NA NA NA NA 0.5272 0.6371 1.5193 NA 0.5891 1.1573 1.1265 NA 0.4669 NA 0.4709 0.6299 0.7858 0.8255 0.7729 NA 1.0927 0.7123 0.7927 0.5577 NA NA 0.4913 NA NA NA
Val-Pro 0.1709 0.1016 0.2135 0.0997 0.6715 0.5808 0.7404 0.5480 0.6056 0.4086 0.6203 0.3899 1.1371 0.8110 2.0628 2.3904 2.3220 2.7657 2.2988 2.1741 1.5869 1.5766 1.1223 1.5774 1.4117 0.9466 2.7473 1.8390 1.6933 2.1439 2.8025 2.2925 1.5471 0.7106 1.4841 1.3578 0.2769 0.3554 0.3587 0.1934 0.3211 0.6016 1.1356 0.5916 0.2790 0.8662 0.4667 0.3376 0.6858 0.6955 0.8489 0.9357 0.7479
Val-Pro-Arg 0.6887 0.7950 0.6556 0.6657 1.1579 1.3530 0.7329 1.2977 0.9386 0.9559 1.2180 0.8926 0.8261 0.7903 0.7207 0.8729 0.9028 0.8057 0.8803 1.1892 0.9945 1.3196 1.1234 1.6506 0.8938 0.6460 0.6866 0.7302 1.1315 1.0825 0.9916 1.0748 1.2248 1.0909 1.2193 1.3785 0.8263 0.8368 0.9193 0.7956 0.5389 0.5843 0.7126 1.3019 0.4896 1.1401 1.1717 1.0046 1.0560 1.5272 1.6310 1.7357 1.1502
Val-Pro-Pro 0.2046 0.2500 0.2034 0.1339 0.5034 0.6191 0.5113 0.3019 0.5780 0.5695 0.8029 0.5308 1.2430 0.9263 1.2006 1.2360 2.0214 1.7961 1.8342 1.8673 2.1564 2.8847 2.2418 1.9345 0.9982 0.6777 1.0477 0.7475 1.1589 1.2014 1.7957 1.5940 1.6379 0.9223 1.3769 1.4141 0.4068 0.2528 0.3524 0.2334 0.4507 0.3676 0.4574 0.4700 0.5603 0.7539 0.7874 0.4920 1.6748 2.4912 2.3999 2.4863 1.1842
Val-Tyr 0.3999 1.1280 0.5461 1.6481 0.5556 0.6320 1.0479 0.6638 0.7324 0.6718 0.4842 0.7770 2.4817 1.9865 2.2581 1.6039 0.4319 1.0823 2.5897 1.1640 0.4589 1.1524 0.8938 0.8233 1.0470 1.4674 2.4352 1.6812 0.6270 1.0639 1.3182 2.0037 0.5359 0.7214 0.5170 0.6545 0.5539 0.4290 0.9371 1.4186 0.7657 0.6987 0.8407 2.6814 1.0444 0.2970 0.9448 0.2864 0.9445 1.4758 1.3209 1.2704 0.9008
Val-Val-Pro 0.2534 0.1396 0.1653 NA 0.5924 0.7626 0.4752 0.5979 0.5155 0.4453 0.6281 0.4317 0.8677 0.8511 0.7446 1.0233 1.4183 1.4118 1.0842 1.7532 1.2369 1.2340 1.6005 1.4594 0.9685 0.7167 0.9291 0.9325 2.1599 1.5303 1.9563 1.7521 1.5814 0.7114 1.2867 1.4478 0.1787 0.3303 0.2446 NA 0.3922 0.3902 0.6601 0.5702 0.2346 0.5807 0.6332 0.5183 1.2107 2.8579 2.6211 2.9404 0.9720
Valyl-Arginine 0.0363 0.2219 0.0747 1.0323 0.9002 0.6983 1.6895 0.2848 0.5875 2.1901 0.7375 2.9497 1.0137 3.4574 1.3482 1.0923 0.3756 1.1804 1.9354 0.4439 0.1329 1.0719 1.1665 0.7125 1.3501 0.8536 1.7785 0.3882 0.0882 0.6053 0.6383 1.2324 0.6323 0.8573 0.6576 0.6920 0.3749 0.1377 0.7231 1.9123 0.5536 0.5110 0.2576 0.9756 3.0671 0.5437 2.1963 0.7253 NA 1.3045 1.3061 1.3477 0.9562
Valyl-Histidine 0.4569 0.2638 0.4363 0.1705 0.3506 0.6046 0.4831 0.3924 0.5618 0.3030 0.4213 0.2619 1.2713 1.4398 1.3298 1.2566 2.1876 2.4873 1.7400 1.7254 2.2066 1.6199 1.7787 1.4425 1.4739 1.0159 1.3826 1.2248 1.7919 1.5939 1.7374 1.4003 1.2062 0.6733 0.9133 1.1577 0.2221 0.3008 0.3084 0.2023 0.4282 0.5099 0.6288 0.5561 0.1951 0.6929 0.4245 0.3630 1.2326 1.6881 1.6660 1.6674 1.1508
Valyl-Leucine 0.3131 NA 0.2133 NA 0.5015 0.4451 0.3798 0.4779 1.0449 1.2617 0.8323 0.7297 0.4841 NA 0.3146 0.6773 1.1126 0.7364 1.1649 1.1136 1.5115 1.6459 1.4736 1.5166 0.8057 0.7786 NA 0.6519 1.3432 1.4955 1.5418 1.5177 1.9510 2.2640 1.7681 2.0960 0.3793 0.3379 0.1916 NA 0.2411 0.1924 0.3171 NA 0.6236 1.7269 1.6260 1.6853 1.3422 1.0258 1.0746 1.0474 1.0248
Valyl-Methionine 0.7844 0.5822 0.6730 0.4135 0.6217 0.9439 0.5710 0.7485 0.9596 0.5419 0.9092 0.7103 1.0130 0.8858 1.0643 1.1119 1.4965 1.3999 1.4687 1.3706 1.8515 2.0768 1.8895 1.7296 1.1983 0.8775 1.1716 1.2443 0.9216 1.0765 1.6487 1.2052 1.9167 1.0701 1.6885 1.8876 0.6249 0.7624 0.4626 0.3668 0.5549 0.6062 0.8165 0.7181 0.4730 1.2059 0.7167 0.8785 1.1039 1.3517 1.2108 1.2592 0.9727
Valyl-Phenylalanine 1.2858 0.7030 0.6886 0.2789 0.4009 0.6139 0.1535 0.5544 0.5314 0.3014 0.7849 0.3314 0.9716 0.6217 0.7471 0.8909 2.2680 1.4859 1.0403 1.7334 2.1304 1.2911 1.8896 2.4312 1.3419 0.8212 0.7256 1.4992 1.5410 0.8046 1.1655 0.8279 1.5672 0.7759 1.0610 1.5010 0.3225 0.7303 0.3632 0.1503 0.7073 0.9372 1.0332 1.1562 0.3253 0.5062 0.5066 0.4592 1.4056 1.7612 1.6906 1.7108 1.4732
Valyl-Valine 0.8015 0.6975 0.4820 2.3076 0.6439 1.0198 1.2321 0.5213 0.4821 1.1015 0.3853 0.8386 1.8997 1.0898 1.1663 0.5946 0.5164 0.7148 1.1236 0.4101 0.9799 1.6721 1.1533 2.9916 0.8414 0.3846 0.4999 1.1998 0.4845 1.2197 0.8094 1.6031 0.9696 0.5037 2.6074 1.0691 0.2344 0.5706 0.6782 1.3254 1.3752 0.9742 0.7131 1.5780 1.3285 0.5514 1.2640 0.5535 1.6517 1.6842 1.5692 1.6218 1.5781
Vinylacetylglycine NA NA NA NA NA 0.3209 NA NA NA NA 0.3042 0.2192 2.0673 1.6793 1.9820 2.0430 2.3593 0.9378 0.7015 1.8030 0.6916 1.2810 0.6880 0.6372 1.0648 0.6461 1.2058 0.8282 0.4525 0.5328 0.6063 0.7274 0.4552 NA 0.5022 0.4314 NA 0.4143 0.5174 0.2755 NA 0.2681 0.3415 0.3096 NA NA NA NA 1.4831 2.7240 2.4746 2.7305 1.1566
Xanthine 1.1116 0.9594 1.0364 1.2323 0.6066 0.9078 0.7415 1.2397 0.9160 0.7707 1.0788 0.8457 1.1251 1.0026 0.8247 1.1137 1.0198 0.6824 1.2963 0.8906 0.7289 1.0660 1.0424 1.1933 0.7977 0.6521 1.2238 1.2604 1.3376 0.8087 0.8286 0.9140 1.1854 1.0390 0.8644 1.7323 0.7527 1.1667 1.1507 1.0580 0.7188 1.2308 0.8550 1.9622 1.1035 0.8089 0.9660 0.7862 0.7834 1.2138 1.2487 1.1500 1.1139
Xanthosine 5^-phosphate 0.3873 1.1503 0.7052 NA 0.9353 0.8686 1.0569 1.1034 0.9085 1.1228 0.8479 0.4893 1.4886 0.8078 0.9021 0.9236 0.8119 0.9699 1.6271 1.2010 1.3376 0.3146 1.0741 1.3426 0.1773 1.6342 1.1447 1.1007 0.7315 1.5516 1.6428 1.3856 1.4307 1.1903 0.6254 1.5923 0.4465 0.9240 0.9905 1.8577 1.2549 0.6977 0.4422 1.7732 0.6324 0.6144 1.3727 1.1025 0.4794 1.3979 0.9071 1.1177 1.2813
ZAPA 0.5462 0.5420 0.6185 2.8270 0.4461 0.5094 0.6047 0.5288 0.5850 0.6147 0.5081 0.5630 0.5275 0.5260 0.4133 0.6212 0.5330 0.6614 0.5580 0.5105 0.4337 0.4911 0.5916 0.5911 0.5266 0.5693 0.5407 0.6644 0.4994 0.4975 0.4470 0.5881 0.6092 0.4804 0.5540 0.5412 0.7590 0.5400 0.4776 0.5167 0.4958 0.4895 0.7080 0.5625 1.8902 0.5115 0.5428 0.6911 0.5986 0.4845 0.6825 0.5028 0.4623
α-(2,6-anhydro-3-deoxy-D-arabino-heptulopyranosid)onate 7-phosphate 0.3436 0.1761 0.1867 NA 0.7040 0.8093 0.5436 0.4775 0.5405 0.4901 0.6430 0.3247 1.0244 0.9443 1.2924 1.7008 1.8842 1.5087 1.3156 2.1524 1.2840 0.9256 1.2947 1.3487 1.6972 1.0024 1.6342 1.5162 1.3731 1.3301 2.0988 1.3901 0.9024 0.3402 0.5581 0.8714 0.2335 0.5477 0.4118 0.1390 0.3087 0.4093 0.6529 0.4988 NA 0.3928 0.5764 0.4911 1.4338 2.3591 2.2670 2.6280 1.0209
ε-aminocaproamide 0.3561 0.1958 0.1887 0.0987 0.3594 0.6271 0.3392 0.3872 0.4808 0.2840 0.4518 0.2647 1.1223 0.9000 0.8659 0.8390 2.3302 2.6299 1.4774 1.6926 2.9375 2.1983 2.6419 2.0509 1.0392 0.5975 0.9865 0.8201 1.4891 1.0345 1.6387 1.2402 1.6286 0.7503 1.1891 1.2850 0.1790 0.4371 0.2569 0.1297 0.2830 0.3610 0.3554 0.3926 0.2494 0.5808 0.5224 0.3844 1.2470 2.3854 2.2347 2.6266 0.9563
Run Hierarchial cluster analysis on this study | Run Heatmap cluster analysis on this study

Factors:

F1Sample source:Combination_1h | raw file name:COM_1h_1
F2Sample source:Combination_1h | raw file name:COM_1h_2
F3Sample source:Combination_1h | raw file name:COM_1h_3
F4Sample source:Combination_1h | raw file name:COM_1h_4
F5Sample source:Combination_3h | raw file name:COM_3h_1
F6Sample source:Combination_3h | raw file name:COM_3h_2
F7Sample source:Combination_3h | raw file name:COM_3h_3
F8Sample source:Combination_3h | raw file name:COM_3h_4
F9Sample source:Combination_6h | raw file name:COM_6h_1
F10Sample source:Combination_6h | raw file name:COM_6h_2
F11Sample source:Combination_6h | raw file name:COM_6h_3
F12Sample source:Combination_6h | raw file name:COM_6h_4
F13Sample source:Control_1h | raw file name:Control_1h_1
F14Sample source:Control_1h | raw file name:Control_1h_2
F15Sample source:Control_1h | raw file name:Control_1h_3
F16Sample source:Control_1h | raw file name:Control_1h_4
F17Sample source:Control_3h | raw file name:Control_3h_1
F18Sample source:Control_3h | raw file name:Control_3h_2
F19Sample source:Control_3h | raw file name:Control_3h_3
F20Sample source:Control_3h | raw file name:Control_3h_4
F21Sample source:Control_6h | raw file name:Control_6h_1
F22Sample source:Control_6h | raw file name:Control_6h_2
F23Sample source:Control_6h | raw file name:Control_6h_3
F24Sample source:Control_6h | raw file name:Control_6h_4
F25Sample source:Leu10-teixobactin_1h | raw file name:TX_1h_1
F26Sample source:Leu10-teixobactin_1h | raw file name:TX_1h_2
F27Sample source:Leu10-teixobactin_1h | raw file name:TX_1h_3
F28Sample source:Leu10-teixobactin_1h | raw file name:TX_1h_4
F29Sample source:Leu10-teixobactin_3h | raw file name:TX_3h_1
F30Sample source:Leu10-teixobactin_3h | raw file name:TX_3h_2
F31Sample source:Leu10-teixobactin_3h | raw file name:TX_3h_3
F32Sample source:Leu10-teixobactin_3h | raw file name:TX_3h_4
F33Sample source:Leu10-teixobactin_6h | raw file name:TX_6h_1
F34Sample source:Leu10-teixobactin_6h | raw file name:TX_6h_2
F35Sample source:Leu10-teixobactin_6h | raw file name:TX_6h_3
F36Sample source:Leu10-teixobactin_6h | raw file name:TX_6h_4
F37Sample source:Polymyxin B_1h | raw file name:PMB_1h_1
F38Sample source:Polymyxin B_1h | raw file name:PMB_1h_2
F39Sample source:Polymyxin B_1h | raw file name:PMB_1h_3
F40Sample source:Polymyxin B_1h | raw file name:PMB_1h_4
F41Sample source:Polymyxin B_3h | raw file name:PMB_3h_1
F42Sample source:Polymyxin B_3h | raw file name:PMB_3h_2
F43Sample source:Polymyxin B_3h | raw file name:PMB_3h_3
F44Sample source:Polymyxin B_3h | raw file name:PMB_3h_4
F45Sample source:Polymyxin B_6h | raw file name:PMB_6h_1
F46Sample source:Polymyxin B_6h | raw file name:PMB_6h_2
F47Sample source:Polymyxin B_6h | raw file name:PMB_6h_3
F48Sample source:Polymyxin B_6h | raw file name:PMB_6h_4
F49Sample source:Pooled QC | raw file name:QC_1
F50Sample source:Pooled QC | raw file name:QC_2
F51Sample source:Pooled QC | raw file name:QC_3
F52Sample source:Pooled QC | raw file name:QC_4
F53Sample source:Pooled QC | raw file name:QC_5
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