Data for Peroxide antimalarial treatment timecourse on trophozoite-stage P. falciparum parasites (Study ST001201)

(Analysis AN001999)

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

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MetaboliteF1F2F3F4F5F6F7F8F9F10F11F12F13F14F15F16F17F18F19F20F21F22F23F24F25F26F27F28F29F30F31F32
1,3-alpha-D-Mannosyl-(1,2-N-acetyl-alpha-D-glucosaminyl)-1,2-alpha- D-mannosyl-1,2-alpha-D-mannosyl-D-mannose 0.9888 1.0448 1.1150 1.2258 0.8554 0.9498 1.0749 1.1140 0.6714 0.7777 0.7606 0.6791 1.4184 1.3480 1.5209 1.3764 0.9296 0.9633 1.0485 0.9926 0.8945 0.9618 0.9494 0.9769 0.6428 0.6988 0.6782 0.6848 1.1166 1.3732 1.1925 1.3587
1,4-Lactone 0.6510 0.6814 0.6065 0.5858 0.6834 0.6687 0.6728 0.6087 0.7363 0.6960 0.6538 0.5957 0.5699 0.6047 0.6199 0.6300 1.1119 1.1867 1.1389 1.1942 1.5655 1.4806 1.5861 1.5453 1.4706 1.4557 0.9494 1.6206 1.2908 1.0300 1.1237 1.5977
1-(5^-Phosphoribosyl)-5-amino-4-imidazolecarboxamide 1.0652 0.9984 0.9854 0.9471 1.0635 0.8838 1.0532 0.8019 0.7543 0.9225 1.0665 0.8043 1.0038 1.2201 1.0146 1.2464 1.0166 1.0498 1.0507 1.0985 0.9529 1.1686 0.9667 1.0513 0.7441 1.1828 0.4338 0.5279 1.1332 1.5086 0.9396 1.1693
2,2-Dimethyl-3-[4-(acetyloxy)phenyl]-4-ethyl-2H-1-benzopyran-7-ol acetate 0.8976 1.0506 1.0595 0.8265 1.0011 1.0151 0.8855 0.7940 0.8668 1.0574 1.1188 0.8916 0.7756 1.3479 1.0423 1.2783 1.0027 1.2417 1.2561 0.9388 0.9972 1.0982 1.1631 0.7876 1.1002 0.8386 1.0350 0.6292 0.8315 1.2107 0.8856 1.0389
2,3,4,5-Tetrahydrodipicolinate 1.0645 1.2041 0.9049 0.9308 0.9044 1.0865 0.9809 1.0424 0.6645 1.1484 1.0817 0.9159 0.7148 1.1954 1.0154 0.9251 1.0037 0.9458 0.9883 0.9328 0.9443 1.2155 1.0393 1.0994 0.8182 1.4325 0.9180 0.8102 0.9067 1.0349 0.9817 0.7776
2,7-Anhydro-alpha-N-acetylneuraminic acid 0.9586 0.9990 0.9919 0.9659 0.9093 0.8754 0.9221 0.9422 0.9575 1.1236 1.0282 1.0654 0.7709 0.8376 0.8378 0.8810 0.9677 1.0555 1.0573 1.0564 1.0370 1.0977 1.0789 1.0687 1.1723 1.1387 1.0807 1.1164 0.9713 0.9154 0.9929 0.9295
2(alpha-D-Mannosyl)-D-glycerate 0.8521 0.8185 0.7472 0.8189 0.8595 0.7384 0.8582 0.7229 1.2357 1.3596 1.3576 1.2147 0.2220 0.3009 0.2320 0.2731 1.0488 1.0686 1.1602 1.0968 1.4578 1.3537 1.1797 1.2955 1.9580 1.9532 1.7264 2.0319 0.3586 0.2679 0.3421 0.3499
2-amino-2-deoxy-isochorismate 0.9457 1.0246 1.0394 0.9314 0.9666 0.9233 1.0210 0.8972 0.8865 0.8972 0.9847 0.8692 0.9473 1.0219 0.9444 0.9812 1.0084 1.0100 1.0927 1.0231 1.0470 1.0574 1.1002 1.0117 1.0867 1.0500 0.9932 1.0068 1.0668 1.0456 1.0279 0.9847
2-Amino-9,10-epoxy-8-oxodecanoic acid 0.8754 0.9697 0.9645 1.0870 0.8819 1.0218 1.0088 0.8775 0.8672 0.9625 1.0025 0.9452 0.8541 0.9863 1.0173 0.8814 1.0285 1.0822 1.1522 1.0069 1.1224 1.1200 1.0134 0.9604 1.1534 1.1827 1.1563 1.1249 0.8756 1.0772 0.8306 0.8458
2-Benzothiazolesulfonamide 0.4393 0.5447 0.5202 0.5396 0.3820 0.6711 0.4504 0.4066 0.4031 0.4907 0.3882 0.3894 0.4529 NA 0.4270 0.7027 1.3900 1.3066 1.5733 1.0244 1.5835 1.7069 1.0756 1.3995 1.2917 1.7156 1.1351 1.1683 1.2959 1.3106 1.1504 1.3568
2-Carboxy-D-arabinitol 1-phosphate 1.0474 1.0868 1.1785 1.2886 1.0650 1.0332 1.1422 1.1780 1.0023 1.0902 1.1027 1.1722 1.1417 1.1589 1.2238 1.1960 0.7803 0.9084 0.8662 0.8896 0.8619 0.9019 0.8744 0.9203 0.8396 0.8413 0.7751 0.8354 0.9218 0.9460 0.8621 0.9810
2-C-Methyl-D-erythritol 4-phosphate 0.7390 0.5807 0.6390 0.6821 1.1933 0.5624 0.7426 0.5396 1.0500 0.8166 0.8554 0.7268 0.6124 0.6723 0.6020 0.5287 1.4639 1.2596 1.1243 1.3317 1.5105 1.2666 1.0349 0.9397 1.8997 1.7997 1.1202 1.8796 0.9526 1.0592 0.8629 1.1092
2-Deoxy-2,3-dehydro-N-acetylneuraminic acid 0.9675 1.0253 1.0126 1.0325 0.9518 0.9117 0.9822 1.0012 0.8878 0.9677 0.9981 0.9402 0.9787 1.0637 1.0789 1.0756 0.9609 1.0219 1.0610 1.0230 0.9787 1.0167 1.0226 1.0106 0.9845 0.9301 0.9554 0.9179 1.0826 1.0969 1.0266 1.0784
2-deoxyglucose-6-phosphate 1.4156 1.4777 0.7123 1.4848 1.3749 1.1691 1.4133 1.3992 0.8177 1.5914 1.5394 1.6353 1.1483 1.3386 1.3724 1.3233 0.6077 0.7422 0.6866 0.6790 0.7302 0.7686 0.6821 0.6882 0.7765 0.7977 0.8004 0.7352 0.6435 0.5684 0.5811 0.5846
2-Hydroxyethanesulfonate 0.9609 1.0280 0.9505 0.9134 0.9384 0.8890 0.8742 0.9443 0.8469 0.9871 1.0550 0.9992 0.8854 1.0938 1.0435 0.9679 1.0314 1.0873 1.0639 0.9641 1.0968 1.1018 1.0268 0.9990 1.1842 1.0216 1.0488 0.9711 1.0498 1.1093 1.0035 0.9671
2-(Hydroxymethyl)-3-(acetamidomethylene)succinate 0.8433 0.8020 0.8743 0.7558 0.9560 0.7451 0.8441 0.9342 1.0070 1.0337 0.9773 0.9930 0.6222 0.7917 0.6487 0.7842 0.9583 1.1616 0.8916 1.2123 1.1342 1.1158 1.2003 1.2303 1.3764 1.2243 1.2646 1.3862 1.0855 0.8293 0.9173 1.1273
2-O-alpha-L-Rhamnopyranosyl-D-glucopyranose 0.8692 1.0267 1.0074 0.9974 0.8859 0.9634 0.9736 0.9894 0.9112 1.0189 0.9775 0.9387 0.9047 0.9372 0.9049 0.8897 0.9448 1.0711 1.0820 1.0476 0.9874 1.1049 1.0489 1.0489 1.1016 1.0872 1.1225 1.0808 0.9606 0.9187 1.0470 0.9855
2-Oxoglutarate 2.0138 1.8960 2.0258 2.3145 1.9485 1.6946 2.0390 2.1411 1.7180 1.6983 1.6760 1.7643 2.4420 2.0633 2.4097 2.4266 0.0168 0.0361 0.0183 0.0235 0.0407 0.0968 0.0264 0.0210 0.0610 0.0500 0.0360 0.0281 0.0180 0.0732 0.0163 0.0179
2-Phospho-D-glycerate 0.8681 0.8548 1.1381 1.2531 1.1876 1.1497 1.1305 1.2240 0.7589 0.9649 0.9292 0.9973 1.0596 1.4010 1.0061 1.4202 0.7618 0.7511 0.9335 1.0552 0.8712 0.9014 0.9237 1.2077 0.9382 1.1635 1.0859 1.4473 0.5923 0.4113 0.5095 0.7684
(2R,4S)-2,4-Diaminopentanoate 0.7292 0.7311 0.7409 0.7627 0.6804 0.7583 0.7098 0.7517 0.7283 0.8083 0.7686 0.7772 0.6592 0.7005 0.6755 0.6850 1.1646 1.3269 1.3386 1.2438 1.3073 1.3225 1.2478 1.2234 1.3577 1.3003 1.3888 1.2825 1.1256 1.1625 1.1782 1.0911
3-(4-Hydroxyphenyl)lactate 1.5710 1.6205 1.5970 1.4662 1.3933 1.3452 1.6353 1.4270 1.5184 1.7319 1.6846 1.5640 1.3630 1.5032 1.5780 1.4851 0.3762 0.4445 0.4527 0.3540 0.4492 1.1252 0.4003 0.3633 0.4779 0.4500 0.4329 0.3706 0.3887 1.2240 0.4234 0.3453
3-(ADP)-glycerate 0.6754 0.7091 0.7372 0.7186 0.6879 0.7103 0.7241 0.6445 0.6579 0.7633 0.7178 0.7020 0.6017 0.7811 0.7608 0.7780 1.1915 1.2720 1.1402 1.1759 1.4565 1.6455 1.2234 1.1489 1.3820 1.3512 1.2197 1.3937 1.2426 1.6123 1.1600 1.0420
3-beta-D-Galactosyl-sn-glycerol 1.0008 1.0270 1.0257 1.0325 1.0039 0.9465 1.0328 1.0191 1.0834 1.2002 1.1260 1.1818 0.7759 0.8627 0.8528 0.8556 0.9258 0.9943 1.0516 0.9717 1.0304 0.9766 1.0083 0.9916 1.1429 1.0885 1.2099 1.1679 0.8071 0.7516 0.8152 0.8261
3-Dehydroquinate 0.6264 0.6079 0.6244 0.6400 0.5621 0.5994 0.5590 0.5676 0.5373 0.5550 0.5213 0.4771 0.6870 0.6961 0.7485 0.6958 1.2752 1.3537 1.6016 1.3578 1.3455 1.5423 1.2976 1.4285 1.2388 1.1468 1.1136 1.1911 1.4405 1.9006 1.4836 1.5810
3-Deoxy-D-manno-octulosonate 8-phosphate 0.2662 0.2300 0.2247 0.1671 0.2807 0.2586 0.2349 0.1887 0.2558 0.2474 0.1912 0.1983 0.2964 0.2860 0.2271 0.2297 1.3024 1.8510 1.3858 1.8252 1.8699 1.7250 1.7972 1.7191 2.0199 1.9158 1.8906 1.7694 1.7880 1.4860 1.6017 1.6448
3-O-(6^-O-(13Z,16Z,19Z-docosatrienoyl)-beta-D-glucopyranosyl)-campest-5-en-3beta-ol 0.9983 1.0617 1.0655 1.0249 1.0374 0.8767 0.9640 0.9966 0.9277 0.9147 0.8894 0.8794 0.9240 1.0118 1.0710 1.0397 0.9827 1.0530 1.0715 0.9738 1.0084 1.0725 0.9182 0.9691 1.0854 0.9904 1.0244 0.9856 0.9594 1.2190 1.0826 0.9322
3-Phospho-D-glycerate 1.0939 1.1049 1.1027 1.2225 1.0718 1.0907 1.1188 1.1695 0.9735 1.1235 1.0421 1.0848 1.2155 1.1888 1.0836 1.1670 0.8604 0.8629 0.8687 0.9508 0.8425 0.9163 0.8546 0.9725 0.8902 0.9815 0.8646 1.0123 0.8538 0.7703 0.7512 0.8926
3-Phospho-D-glyceroyl phosphate 1.0728 1.0607 1.2186 1.3156 1.2897 1.2457 1.2340 1.2391 0.9706 1.1540 1.0743 1.1118 1.2550 1.4271 1.1890 1.4194 0.7260 0.7136 0.8140 0.8931 0.8116 0.7811 0.8263 0.9538 0.8929 0.9571 0.8820 1.1262 0.5815 0.4359 0.5161 0.7227
3-phosphoglucarate 0.9008 0.8495 0.9429 1.0677 1.0231 0.8895 0.9980 1.0089 0.9280 1.0425 0.9197 1.0147 1.0859 0.9749 0.9117 1.0295 0.8932 1.0002 0.9303 1.1421 1.0871 1.0233 1.0543 1.1556 1.0766 1.0785 0.9798 1.2768 0.9147 0.8391 0.8331 1.0791
3-Phosphonopyruvate 0.4538 0.4548 0.4172 0.3857 0.4507 0.4043 0.3887 0.3761 0.3845 0.4072 0.3671 0.3766 0.4357 0.4541 0.3606 0.4330 1.5055 1.5348 1.6704 1.5746 1.4666 1.4791 1.6902 1.6276 1.4774 1.2423 1.4749 1.4167 1.8279 1.6243 1.7532 1.7139
(3S,5S)-carbapenam 0.7070 0.7284 0.6265 0.7728 0.5951 0.6931 0.7482 0.5996 0.7067 0.7028 0.7203 0.6677 0.7235 0.6414 0.7221 0.6109 1.2933 1.4186 1.5888 1.1975 1.3291 1.3708 1.2542 1.2737 1.2149 1.3054 1.1858 1.3147 1.1805 1.4274 1.2654 1.2455
3-ureidoacrylate 0.9074 0.8822 0.9000 0.8923 0.8721 0.8321 0.8580 0.9051 0.8550 0.9428 0.9459 0.9152 0.8309 0.8624 0.8525 0.8933 1.0216 1.1421 1.0970 1.1207 1.1011 1.1194 1.1402 1.1213 1.1437 1.0991 1.1067 1.0646 1.1406 1.0890 1.1341 1.1182
4-Amino-4-deoxychorismate 0.9896 1.0328 0.9981 0.9760 0.8732 0.8654 1.0569 0.8971 0.7997 0.9496 1.0505 0.8492 0.9769 0.9920 0.9820 0.9313 1.0065 1.0269 1.0940 0.9253 1.0810 1.0614 1.1820 1.0013 1.1932 1.0268 1.0394 1.0459 1.0623 1.0073 1.0417 0.9497
4-Nitroaniline 1.1380 1.0690 0.8955 0.9982 1.0158 1.0420 0.9687 0.7852 0.5597 0.6569 0.5768 0.5269 1.1569 1.2082 1.3937 1.0830 1.2878 1.1468 1.1539 0.9722 1.0584 1.1811 1.0465 0.8153 0.7092 0.7205 0.6683 0.6764 1.6802 1.4274 1.1942 1.1771
5D-5-O-Methyl-2,3,5/4,6-pentahydroxycyclohexanone 0.7200 0.7633 0.7367 0.8123 0.7346 0.6941 0.7407 0.7099 0.7412 0.8429 0.8061 0.7768 0.6555 0.6751 0.6988 0.6553 1.2202 1.2487 1.4488 1.2233 1.3499 1.2488 1.1801 1.1993 1.5437 1.4060 1.3599 1.4266 1.0457 1.1014 1.0170 1.0502
5^-Dehydroadenosine 0.3778 0.2585 0.2777 0.3231 0.3767 0.2807 0.2581 0.2976 0.3568 0.2903 0.2553 0.2585 0.4546 0.2309 0.2858 0.3021 1.6300 1.5947 1.6844 1.6250 1.9101 1.7542 1.6633 1.5883 1.6261 1.7631 1.6298 1.2006 1.7213 1.5195 1.5564 1.6568
5-Hydroxytryptophan 0.8398 0.8123 0.7990 0.8653 0.8661 0.8932 0.8984 1.0127 0.8889 0.9822 0.9233 0.9939 0.6635 0.7233 0.6854 0.8291 0.9343 1.0428 0.9903 1.1643 1.0890 1.2355 1.2991 1.2365 1.0878 1.3456 1.3525 1.2546 1.0086 0.7596 1.0491 1.0305
5-Oxoproline 1.0583 0.8390 0.8335 0.9140 1.0177 0.7303 0.8361 0.8760 0.9473 0.8215 0.7937 0.8885 1.1071 0.8053 0.9225 0.9062 1.1761 1.0713 1.0897 1.1248 1.1871 1.0462 1.0505 1.1561 1.2349 1.0583 1.0272 1.1056 1.1832 1.0248 1.0437 1.1785
5-Valerolactone 0.9624 0.9483 0.9569 0.9573 0.9090 0.9351 0.9678 0.9711 1.0275 1.0404 1.0529 1.0692 0.9726 0.8511 0.8737 0.8440 0.9498 1.0454 1.0441 1.0564 1.1293 1.0691 1.0523 1.0369 1.1614 1.1528 1.1700 1.1809 0.8467 0.8756 0.8946 0.9286
6-Methylpretetramide 0.8819 1.0612 0.7018 0.3523 0.9187 1.0190 0.9630 0.6880 1.1985 1.4226 1.2137 1.1257 0.6553 0.4685 0.4000 0.3407 0.4905 1.2332 0.4747 0.9867 1.6238 1.6873 0.9936 1.0566 2.1569 2.5697 1.7303 1.6816 0.5735 0.5887 0.4104 0.5047
[6]-Paradol 0.9056 0.8111 1.0008 0.9997 0.9639 0.8662 0.9149 0.9052 0.9547 0.7699 0.7837 0.8098 1.1431 1.1693 1.1968 1.1782 0.9564 1.1539 1.1123 1.0816 1.0347 1.0313 1.0959 1.1564 0.9830 0.7408 0.7806 0.7738 1.0961 1.2188 1.2246 1.3076
6-Phospho-D-gluconate 1.0182 0.9915 1.0734 1.0960 1.0536 0.9680 1.1044 1.0492 1.0599 1.1062 1.1004 1.1210 0.9486 1.0570 1.0349 1.0361 0.8683 0.9729 0.9629 0.9663 0.9734 0.9505 0.9526 0.9900 0.9936 0.9843 0.9519 1.0083 0.9199 0.8554 0.8626 0.9290
A-Ketoglutaricacidoxime 0.7975 0.9209 0.9488 0.9157 0.8380 0.8276 1.0666 0.9769 0.8082 1.0393 1.2410 1.1143 0.7272 0.8088 0.7432 0.8634 0.8723 1.0534 1.0761 1.0464 1.0352 1.1099 1.1778 1.1572 1.0640 1.4998 1.3816 1.3632 0.8300 0.7749 0.8573 0.8579
Ala-Ala-Asp-Tyr 1.1603 1.0026 0.6225 0.2639 1.1538 0.9606 1.2042 1.2484 1.1484 1.2206 1.2429 0.7880 1.0531 1.0782 1.1768 0.8825 NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA
Ala-Asp 1.2382 1.1498 1.1569 1.0489 1.2621 1.0992 1.2998 1.2083 1.2043 1.5099 1.2793 1.0767 1.3744 1.3156 1.3736 1.3689 0.8447 0.8733 0.7698 0.7532 0.7171 0.7074 0.7519 0.7084 0.7255 0.7453 0.6409 0.6250 1.0076 0.8325 0.9590 0.9407
Ala-Asp-Gly 0.9052 0.9135 0.9159 0.9131 0.9279 1.1500 0.9978 1.1428 1.1339 1.5103 1.3418 1.2400 0.7175 0.7825 0.5023 0.7339 0.7259 0.9872 0.8608 0.8911 1.1600 1.1541 1.1966 1.0667 1.1384 1.4259 1.3404 1.0772 0.7708 0.4921 0.8049 0.6885
Ala-Cys-Pro-Ser 1.0643 1.0363 1.0669 1.2739 1.1330 1.0232 1.0927 1.1000 0.6840 0.5727 0.6115 0.6063 1.4933 1.5728 1.7762 1.5230 1.0117 0.8775 1.1634 1.0420 0.8174 0.7220 0.8849 0.9849 0.6621 0.5697 0.5696 0.6745 1.0015 1.1951 1.1735 1.3639
Ala-Gly-Ser 1.2719 1.1674 0.5220 0.3360 1.5031 1.1766 1.6526 1.7173 1.6009 2.2539 1.7663 1.4254 1.0737 1.2785 1.8315 1.1238 0.1213 0.1954 0.1590 0.1566 0.2096 0.1837 0.1899 0.1539 0.2156 0.1876 0.1377 0.1427 0.1664 0.1292 0.1740 0.1289
Ala-Lys-Ala-Ala 0.8653 0.9015 NA NA 0.9281 0.9268 1.2238 1.0833 1.0480 2.1250 0.9867 0.6469 0.5154 1.1046 0.8286 0.5635 NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA
Ala-Phe-Tyr-Tyr 0.8493 0.8028 0.8099 0.8164 0.8566 0.8757 0.8374 0.8128 0.8084 0.9110 0.7971 0.8736 0.8932 0.8547 0.6727 0.6892 1.2210 1.1481 1.0923 1.1131 1.1637 1.1890 1.1971 1.1871 1.2623 1.1899 1.2263 1.1080 1.1935 1.0630 1.2129 1.1241
Ala-Thr-Ala-Gly 1.0831 1.0548 1.0728 1.0801 1.0775 0.9825 1.0896 1.1686 1.0769 1.1934 1.2126 1.2115 0.9232 0.9908 1.0371 0.9683 0.8710 0.8945 0.9308 0.9273 0.9498 0.9464 0.9194 0.9357 1.0072 1.1318 0.9446 0.9713 0.8319 0.8109 0.8952 0.7559
alpha-Irone 1.3554 1.1688 1.1759 1.1220 1.1118 1.0415 1.1204 1.1354 1.3107 1.0886 1.0897 1.1315 1.3445 1.0832 1.1266 1.0824 0.9033 0.8300 0.8599 0.8096 0.9588 0.8049 0.8312 0.8419 0.9877 0.7883 0.8993 0.8390 0.8430 0.9163 0.8203 0.7867
AMP 0.6778 0.6041 0.6620 0.6898 0.6674 0.6222 0.6821 0.6819 0.6943 0.6969 0.6747 0.7277 0.6635 0.6274 0.6090 0.6062 1.1466 1.3383 1.2625 1.3509 1.3195 1.5548 1.2562 1.4167 1.2819 1.5284 1.3453 1.5360 1.1811 1.4293 1.0249 1.2236
Apodine 1.3817 1.2989 1.1736 0.9868 1.4067 1.2633 1.3492 1.2816 1.5692 1.4814 1.4179 1.3674 1.2756 1.3134 1.1341 1.0869 0.8370 0.7357 0.6616 0.6193 0.7000 0.6521 0.7729 0.6751 0.8376 0.8172 0.6869 0.6499 0.7541 0.6527 0.7404 0.6802
Arg-Lys-Asn-Gln 0.9388 1.1700 1.0832 1.2002 1.0004 1.0975 1.2322 1.0668 0.7363 0.7907 1.0164 0.8348 1.2492 1.3854 1.4257 1.2810 0.8832 1.0063 1.1591 0.8151 0.9175 0.8458 0.9313 0.9145 0.7619 0.6425 0.6771 0.7319 1.0398 1.0242 1.0726 1.0569
Arg-Phe-Phe-Arg 0.4669 0.4700 0.4199 0.4268 0.4905 0.4776 0.3688 0.3614 0.5260 0.6077 0.5498 0.5280 0.3355 0.4075 0.2145 0.3122 1.2490 1.3895 1.3428 1.3720 1.4595 1.3099 1.3999 1.5067 1.8197 1.8506 1.7137 1.7332 1.2857 0.8650 1.0799 1.1812
Asn-Asn-Gly-His 1.1089 1.0942 1.0158 1.0620 1.1745 1.1366 1.1331 0.8971 0.8584 0.6435 0.6029 0.5388 1.7799 1.5605 1.7649 1.5222 0.9176 0.9116 1.0572 0.8942 0.8478 1.0945 0.8851 1.0302 0.5957 0.4104 0.4199 0.4624 1.0790 1.4524 1.4244 1.1511
Asn-Cys-Cys 1.1116 1.0598 1.1158 0.9756 1.1725 1.1172 0.9783 1.0543 1.1197 1.1044 1.0301 1.0774 0.8743 1.0307 0.9485 1.0089 0.9338 0.9166 0.9123 0.9954 0.8630 0.8122 1.0060 1.0237 0.8616 1.1167 1.0685 0.9962 0.8604 0.5697 0.8970 1.0786
Asn-Leu-Lys-Trp 1.1012 1.1330 1.0238 1.1620 1.0286 0.9832 1.1294 1.1492 0.8232 0.9483 0.9307 0.8079 1.0922 1.2813 1.5572 1.1920 0.8978 0.9441 1.0403 0.9393 0.8476 0.8953 0.9084 0.9153 0.7659 0.7531 0.7193 0.6980 1.0632 1.1043 1.1422 1.2029
Asn-Met-Thr-Asp 0.5119 0.5911 0.5074 0.5230 0.5804 0.5155 0.5133 0.6434 0.5045 0.5566 0.4994 0.7264 0.5123 0.6300 0.5617 0.6685 1.5333 1.3084 1.4184 1.4683 1.4880 1.2602 1.4325 1.5327 1.6463 1.1233 1.3759 1.4564 1.7440 1.1952 1.3090 1.3712
Aspartyl-L-proline 2.5448 2.0579 0.7750 0.1329 2.5434 1.9332 2.8110 2.6531 2.6820 2.7521 2.1653 1.4464 2.1526 2.0699 1.9683 1.2078 0.0504 0.0397 0.0401 0.0478 0.0387 0.0459 0.0387 0.0539 0.0442 0.0447 0.0446 0.0485 0.0383 0.0505 0.0373 0.0676
Asp-Gly 1.7309 1.5352 1.1361 0.6831 1.6457 1.5231 1.8220 1.8934 1.8082 1.7532 1.6253 1.3201 1.8335 1.5642 1.6183 1.2492 0.4962 0.4411 0.4625 0.4649 0.5087 0.4614 0.5113 0.4460 0.5381 0.4859 0.4827 0.5362 0.5758 0.4372 0.4820 0.4784
Asp-Gly-Pro-Ser 0.5234 0.5286 0.5561 0.5685 0.5225 0.4947 0.4920 0.5356 0.5510 0.5734 0.6040 0.5582 0.4581 0.5505 0.5007 0.5169 1.3723 1.4691 1.4434 1.5161 1.6074 1.5447 1.3630 1.3665 1.6509 1.4731 1.5357 1.6722 1.3583 1.3918 1.1432 1.2858
Asp-Val-Pro-Ser 0.9543 1.0073 1.0363 0.9798 0.9375 0.9821 1.0750 1.1052 0.9300 0.9870 1.0206 1.0801 1.2472 0.9508 1.1455 1.1158 NA NA NA 0.0180 NA NA 0.0090 NA NA NA NA NA NA NA NA NA
ATP 0.9889 0.9978 1.0087 1.0730 0.9911 0.9878 1.0290 0.9950 0.9852 1.0477 1.0028 1.0028 0.9560 1.0243 1.0015 1.0243 0.9345 0.9673 1.0015 1.0101 1.0275 1.0179 0.9936 1.0085 1.0418 1.0418 1.0184 1.0652 0.9248 0.9443 0.8826 0.9745
Bergaptol 1.2073 1.2223 1.0108 1.1029 1.1627 1.1019 1.1390 1.0137 1.1462 0.9688 1.0433 0.9134 1.3958 1.2127 1.2530 1.0892 0.9297 0.8179 0.8894 0.8649 0.9266 0.8745 0.9125 0.8988 1.0513 0.8084 0.8786 0.8982 0.8747 0.8935 0.9402 0.8364
beta-(2,6-anhydro-3-deoxy-D-arabino-heptulopyranosid)onate 7-phosphate 1.0076 1.0840 0.9786 1.0206 1.0384 0.9764 0.9810 0.9963 0.8961 1.0111 0.9316 0.9587 0.9416 1.0422 1.0647 1.0262 1.0313 1.0192 1.0205 0.9674 0.9750 0.9987 0.9771 0.9692 1.0123 1.0516 0.9689 0.9117 1.0298 1.0565 0.9948 1.0578
beta-D-Fructose 2,6-bisphosphate 0.0262 0.0206 0.0155 0.0124 0.0244 0.0217 0.0125 0.0107 0.0197 0.0189 0.0120 0.0095 0.0253 0.0238 0.0112 0.0105 1.7101 2.0849 2.0260 1.9304 1.7914 1.8748 2.1080 1.9939 1.7331 2.0214 2.0128 1.8446 1.9922 1.8967 2.1209 1.9974
beta-D-Sedoheptulopyranose 0.8783 0.9695 0.9257 0.9362 0.8685 0.8096 0.8872 0.8790 0.8630 0.9610 0.9242 0.8743 0.8239 0.9219 0.8663 0.7655 1.0572 1.1437 1.2551 1.0755 1.1419 1.1319 1.1132 1.0729 1.1229 1.0071 1.0310 1.0117 1.0683 1.2058 1.1179 1.1415
Bile salt 1.3483 0.9662 1.1143 1.2124 1.1645 0.7740 1.1306 1.2317 1.2883 0.8006 1.1262 1.4420 1.1690 0.8194 1.3124 1.1697 0.9842 0.7761 0.9128 0.9057 0.9590 0.7597 0.8149 0.9321 1.0163 0.7090 0.8840 1.1854 0.8355 0.7351 0.8342 0.8702
Bis-D-fructose 2^,1:2,1^-dianhydride 1.4223 1.2890 1.2051 1.1357 1.6320 1.2243 1.3096 1.2979 1.5743 1.4998 1.4477 1.3502 1.0365 1.3263 1.2060 1.2400 0.7895 0.6487 0.6192 0.7438 0.5778 0.5660 0.6682 0.6801 0.7903 0.7839 0.6617 0.7659 0.7159 0.5255 0.6278 0.7553
Camptothecin 0.8821 1.0189 1.0028 1.0378 0.8604 0.8772 0.9788 0.9799 0.9302 1.0620 1.0570 1.0473 0.8874 0.9173 1.0084 0.9506 0.9277 1.0800 1.1380 1.0372 1.0735 1.0521 0.9824 1.0352 1.1807 1.0693 1.0234 1.0899 0.8786 0.9967 0.9718 0.9708
Carbamoyl phosphate 1.2413 1.2062 0.4125 1.2594 1.1828 0.3974 0.5539 1.3292 0.7492 1.3420 0.7230 1.4071 1.1180 1.1359 1.1236 1.0967 1.2164 0.7526 1.3795 0.4606 1.3848 1.4942 1.3549 1.5527 0.6054 0.8316 0.8528 0.6438 0.4456 0.4152 0.4558 1.2263
CDP-ethanolamine 1.1053 1.1085 1.3226 2.2255 1.0124 1.0159 1.2459 1.3978 1.0444 1.1295 1.3505 1.4469 1.0897 1.0388 1.1204 1.3454 0.2049 0.2510 0.2762 0.2349 0.2640 0.3122 0.2418 0.2452 0.2950 0.2723 0.2723 0.2421 0.2142 NA 0.1889 0.1822
Chelilutine 0.8616 0.8396 0.8753 0.9254 0.9203 0.8710 0.9623 0.9403 1.0858 1.3035 1.2321 1.2458 0.7299 0.7263 0.6566 0.7782 0.9258 1.1020 1.0782 1.0610 1.2153 1.1412 1.0076 1.1187 1.3883 1.4036 1.2576 1.2802 0.7393 0.7197 0.6711 0.7900
Chenodeoxyglycocholate 1.7852 1.1425 0.9994 0.9856 1.1849 1.0945 1.1033 0.9863 1.2307 1.0501 1.0767 0.9906 1.1603 0.9535 1.1028 1.0453 0.9169 0.9145 0.8939 0.8412 0.8894 0.9213 0.7879 0.7952 1.0543 0.8293 0.7947 1.0694 0.9489 0.7878 0.8305 0.8154
Chitobiose 0.9442 0.8896 0.8887 0.9662 1.0499 0.7608 0.8351 0.8687 0.9286 0.7637 0.7124 0.7316 0.4875 1.0582 0.9031 0.9702 1.2082 1.1357 1.0447 1.2532 0.8608 1.0434 1.1155 1.1256 0.9489 0.9253 0.8417 0.8813 1.4279 1.2629 1.2581 1.5719
Chloraminophenamide 0.4580 0.4999 0.3818 0.4609 0.3571 0.4735 0.4683 0.3301 NA NA NA NA 0.4540 0.3656 0.4663 0.3209 1.8890 1.8677 1.5746 1.3284 1.7751 1.7318 1.6519 1.4319 NA NA NA NA 1.8439 1.5687 1.5796 1.6646
Cholesterolsulfate 0.9667 0.9883 0.9405 0.8640 0.9563 0.9283 0.8505 0.9869 0.9745 0.9630 0.8931 0.9325 0.8527 0.9946 0.8347 0.9375 1.0292 1.1016 0.9200 1.0309 1.1164 1.0680 1.1127 1.0924 1.1627 1.0672 1.1579 1.0636 1.0138 0.8965 1.1095 0.9973
Cichorine 0.7906 1.1567 0.9782 1.1012 0.9780 0.8992 0.9467 0.8527 0.8578 0.9211 0.8626 0.9366 1.1768 0.9012 1.0319 1.0633 1.0595 1.0576 1.2277 0.9883 1.0689 1.1055 1.2589 1.0158 0.9831 0.8249 0.7138 1.0639 0.8829 1.0395 1.0338 1.0252
cis-Aconitate 0.4840 0.5428 0.5083 0.4314 0.5599 0.5151 0.4860 0.4172 0.6239 0.6268 0.6247 0.3781 0.5436 0.4770 0.5410 0.4114 1.1642 1.7826 1.1721 0.7812 1.6272 2.3063 1.3764 1.3169 1.6709 1.5231 1.1865 0.9170 1.8582 2.5254 1.6825 1.3849
Citrate 0.5012 0.4782 0.4825 0.3764 0.3914 0.4484 0.4457 0.3881 0.3454 0.4974 0.4069 0.3154 0.6364 0.5448 0.5670 0.4527 1.3837 1.5910 1.4649 1.4248 1.5624 1.8579 1.5405 1.3865 1.3387 1.2702 1.1565 0.9823 1.9294 2.3470 1.8742 1.7638
Clavulanic acid 1.0185 1.2140 1.2018 0.8016 1.1601 1.0659 1.0725 0.6851 0.9745 1.1217 1.0222 0.9171 0.9040 1.1399 0.9234 0.8687 1.1163 1.0305 0.9131 0.7009 1.0328 0.9898 1.0561 0.9146 1.2286 1.3222 1.1780 0.8323 0.9160 0.8943 1.0425 0.7069
CMP-2-aminoethylphosphonate 1.1146 1.1136 1.1836 1.0166 1.1732 1.0013 1.1346 1.1474 1.3321 1.3380 1.4491 1.3742 0.7163 0.9559 0.7827 0.9390 0.8038 0.8890 0.7537 0.9085 0.9059 0.8631 0.8882 0.8901 1.1107 1.0627 1.0660 1.0649 0.7479 0.6180 0.7372 0.7287
CMP-N-trimethyl-2-aminoethylphosphonate 1.0349 1.0223 1.1647 0.8125 1.2013 0.8557 1.0316 1.1306 1.5406 1.5123 1.5668 1.5994 0.2942 0.6409 0.2931 0.6728 0.7728 1.0012 0.6442 1.0492 0.9941 0.8521 1.0293 0.9631 1.3626 1.3104 1.3817 1.3097 0.6993 0.2913 0.7102 0.6564
CoA 1.0046 1.0948 1.0199 0.9865 1.0655 1.1334 0.9448 1.1660 1.0796 1.1811 1.0268 1.0934 0.8876 0.8188 0.6664 0.8670 0.9119 0.8846 0.8893 0.9790 0.9373 0.9254 1.0963 1.1840 1.1268 1.2049 1.1676 1.2499 0.7601 0.6295 0.7256 0.7626
Cyclic ADP-ribose 1.3870 1.4339 1.4624 1.5283 1.3290 1.2368 1.4777 1.4423 1.4478 1.5272 1.5402 1.5740 1.2629 1.2426 1.2850 1.3289 0.5599 0.5941 0.6190 0.5914 0.6291 0.6306 0.6006 0.5979 0.6460 0.6665 0.6979 0.7002 0.5376 0.5175 0.5082 0.5114
Cys-Gly-Pro-Ser 0.9430 1.0071 0.8604 0.8119 0.8589 0.9911 0.9754 0.8079 0.6068 0.6696 0.6727 0.5565 1.4530 1.3017 1.5429 1.0663 1.1121 1.0984 1.3812 1.0796 1.0570 1.0796 1.0257 1.0375 0.6959 0.5805 0.6330 0.6548 1.3161 1.7759 1.4355 1.4582
Cys-Leu-Cys-Tyr 1.0971 1.1228 1.1115 1.0818 1.1744 0.9916 1.1458 1.0563 1.1649 1.1641 1.1302 1.1336 0.9637 0.9965 1.0280 1.1503 0.9477 0.8869 0.9612 0.9499 0.8635 0.7764 0.8846 0.8218 1.0196 0.8753 0.9036 1.1187 0.8899 0.9434 0.8717 0.8919
Cys-Phe-Gly-Gly 0.9952 1.1295 1.0996 0.9942 0.7998 1.2083 1.1299 1.0723 0.7402 0.9333 0.9800 0.8587 1.3692 1.2797 1.1849 1.2380 0.8841 0.9199 0.8906 0.8831 0.9593 1.0236 1.0102 1.0063 0.7721 1.1029 1.1099 0.9563 0.9728 0.9968 0.8970 0.7913
D-4^-Phosphopantothenate 1.1422 1.0489 0.7864 0.8135 0.9835 0.9985 1.0477 1.0876 1.0676 1.0341 0.9155 0.9641 1.4760 0.9583 1.0619 0.9212 NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA
D-Arabinonate 0.6518 0.6675 0.7172 0.8662 0.5763 0.6371 0.6429 0.6096 0.3856 0.4916 0.4390 0.4097 0.9328 0.8492 0.9082 0.8449 1.4759 1.4273 0.9275 1.3112 0.8092 1.5697 1.4252 1.3387 0.9336 0.8860 0.8882 0.8035 1.8849 2.1821 1.8671 1.8329
deacetylcolchicine 1.5424 1.6015 1.3359 1.3181 1.4712 1.4789 1.4258 1.3429 1.4329 1.3755 1.2613 1.2087 1.4939 1.5451 1.5779 1.4665 0.6921 0.5918 0.6168 0.5889 0.5863 0.5068 0.5979 0.5766 0.6014 0.5153 0.5939 0.5892 0.5933 0.5038 0.5909 0.5602
D-Erythrose 0.5694 0.6299 0.4456 0.4796 0.7009 0.5627 0.5827 0.5287 0.6413 0.5684 0.5082 0.4779 0.5483 0.5119 0.4483 0.5291 1.0247 0.9880 0.9185 1.2050 1.6765 1.5171 1.8005 2.1558 1.5814 1.5500 1.2649 1.8011 1.3238 1.0885 1.3025 1.6258
D-Fructose 1.1687 1.2495 1.2615 1.3734 1.1317 1.1763 1.2474 1.2715 1.1274 1.2474 1.2875 1.2783 1.1069 1.1866 1.2350 1.1914 0.7336 0.8043 0.8407 0.7858 0.7520 0.7342 0.7800 0.8281 0.8028 0.8051 0.8106 0.8600 0.7096 0.6887 0.7474 0.7657
D-Fructose 1,6-bisphosphate 0.2542 0.2447 0.2564 0.2823 0.2493 0.2422 0.2633 0.2572 0.2257 0.2426 0.2315 0.2435 0.2931 0.2626 0.2798 0.2760 1.6442 1.8258 1.7063 1.7700 1.4557 1.6055 1.8079 1.7852 1.4091 1.6103 1.5442 1.6406 2.0857 1.7720 1.9108 1.9299
D-Galacturonate 0.8963 1.0437 0.9583 0.9517 1.0215 0.8456 0.9769 0.9728 0.8731 0.9499 0.9732 0.8657 0.8112 0.9529 1.0006 0.9340 0.9373 0.9682 0.8895 1.0013 1.1301 1.1420 1.1537 1.1453 1.2267 1.1280 0.9700 1.1593 1.0253 0.8977 0.9737 1.0218
dGDP 0.9553 0.9409 0.9845 1.1211 0.9887 0.9616 1.0207 1.0291 0.9685 1.0357 1.0048 1.1006 0.9597 0.9795 0.9949 0.9938 0.9214 0.9207 1.0492 1.0401 1.0566 1.0119 0.9905 1.0775 1.0126 1.0192 1.0478 1.2052 0.8849 0.8394 0.8486 0.9674
D-Glucarate 0.8365 0.9296 0.9278 1.0171 0.7896 0.8774 0.9288 0.8637 0.4800 0.5899 0.5622 0.5092 1.2143 1.2533 1.4547 1.1405 1.0273 1.2147 1.1390 1.0676 1.0594 1.1235 1.1707 1.0722 0.9077 0.8779 0.8372 0.7267 1.3358 1.5553 1.3755 1.4357
D-Gluconic acid 0.8338 0.8758 0.8856 0.8440 0.7797 0.7956 0.8402 0.8155 0.7607 0.8443 0.8517 0.8229 0.8471 0.8564 0.8843 0.8118 1.0865 1.1615 1.2118 1.1327 1.2025 1.2330 1.1652 1.1401 1.2112 1.1638 1.1360 1.1313 1.1759 1.1579 1.1239 1.1378
D-Glucono-1,5-lactone 0.8734 0.9427 0.9574 0.9125 0.8494 0.8762 0.8964 0.8566 0.8430 0.9821 0.9681 0.9010 0.8822 0.9157 0.9521 0.8755 1.0145 1.1278 1.0930 1.0351 1.1875 1.2344 1.0669 1.0525 1.2686 1.1881 1.1292 1.0867 1.0211 1.0733 0.9578 0.9686
D-Glucose 0.7804 0.8526 0.8308 0.9255 0.7622 0.7977 0.8253 0.7805 0.7348 0.7993 0.8301 0.7544 0.7993 0.7951 0.8507 0.8694 1.1619 1.2564 1.2143 1.1379 1.1704 1.3109 1.1386 1.1260 1.2115 1.1498 1.2101 1.1456 1.1470 1.2489 1.1008 1.1625
D-Glucose 1-phosphate 0.9200 0.9194 0.9646 0.9062 0.9039 0.8940 0.9355 0.9185 0.9749 1.0205 1.0162 1.0194 0.8208 0.8685 0.8280 0.8186 0.9771 1.0319 1.0205 1.0547 1.1211 1.0720 1.0395 1.2496 1.2398 1.3332 1.2073 1.1997 0.9196 0.8468 0.9033 0.8848
D-Glucose 6-phosphate 1.4853 1.4410 1.5739 1.5433 1.4869 1.3096 1.5197 1.4163 1.6084 1.4619 1.5854 1.5710 1.2924 1.4102 1.6084 1.3441 0.5421 0.5208 0.6284 0.5357 0.5417 0.4887 0.5380 0.5126 0.5768 0.5115 0.6048 0.5307 0.5145 0.5008 0.5487 0.5110
D-Glucuronate 0.9244 1.0988 0.9644 0.9604 0.8784 0.9058 0.9428 0.9932 0.8002 1.0242 1.0555 0.9520 0.8657 0.9745 1.1153 1.0162 0.9357 1.0661 1.0749 1.0106 0.9808 1.1452 1.0462 1.0181 1.1074 1.1627 1.0236 1.0485 0.9971 1.0359 0.9529 0.9134
D-Glycerate 1.0348 1.2036 0.9607 0.9389 0.9985 1.0971 0.9232 0.9310 0.8740 1.1202 0.8988 0.8441 1.2312 1.2768 1.0531 0.9922 1.0604 1.0420 1.0054 0.9024 1.0765 1.0418 0.9015 0.8828 1.0924 1.1170 0.8994 0.8874 1.1620 0.9380 0.9932 0.8328
Diethyl (2R,3R)-2-methyl-3-hydroxysuccinate 0.8854 1.1202 0.9554 1.1599 0.8425 0.7646 1.1087 0.7197 0.8084 1.1147 0.9058 1.0511 0.6756 0.9663 0.9543 1.1258 0.7448 1.2261 1.0846 0.8385 1.6604 1.0954 1.0961 0.6143 0.8055 1.4170 1.1657 1.5615 0.9017 1.0396 0.4609 1.3914
DL-2-Aminooctanoicacid 0.7582 0.7747 0.7032 0.8444 0.6833 0.7165 0.7389 0.6793 0.6414 0.6967 0.6301 0.6572 0.8752 0.7426 0.9405 0.7753 1.2654 1.2852 1.4758 1.1913 1.3488 1.3435 1.2107 1.2163 1.1700 1.1428 1.0769 1.1919 1.2711 1.4208 1.1776 1.3011
D-Mannitol 1-phosphate 1.4382 1.4809 1.5371 1.5669 1.5213 1.2960 1.5168 1.4777 1.7421 1.8265 1.8206 1.8344 0.8515 1.1634 1.0489 1.2026 0.5087 0.5131 0.5309 0.5865 0.5379 0.4836 0.5366 0.5796 0.6611 0.6318 0.6553 0.6947 0.3969 0.2946 0.4070 0.4359
D-Mannose 0.4651 0.5591 0.3231 0.3825 0.6464 0.4626 0.5115 0.4677 0.6163 0.4940 0.4549 0.3965 0.3724 0.4310 0.3492 0.4289 1.0413 0.9202 0.8280 1.1812 1.9262 1.6160 1.9432 2.4725 1.7130 1.6273 1.2320 2.0131 1.5339 0.7521 1.3694 1.8280
D-Mannose 1-phosphate 0.3073 0.2924 0.3056 0.3716 0.3093 0.2930 0.3299 0.3193 0.2743 0.2969 0.2986 0.3100 0.3380 0.3280 0.3328 0.3320 1.5051 1.7146 1.6580 1.7519 1.3017 1.4842 1.7949 1.8662 1.2683 1.5396 1.6253 1.7206 2.0347 1.5456 1.8440 1.8860
D-Mannose 6-phosphate 0.2272 0.2265 0.2598 0.2237 0.2654 0.2387 0.2248 0.2227 0.2231 0.2313 0.2276 0.5754 0.9981 0.2961 0.2221 0.2377 1.6129 1.6588 1.7823 1.9110 1.4681 1.3566 1.7836 1.9367 1.5064 1.5988 1.6489 1.7506 1.7625 1.3695 1.9249 2.0516
D-myo-Inositol 1,2-cyclic phosphate 0.4779 0.4721 0.4803 0.4926 0.4723 0.4268 0.4766 0.4671 0.5114 0.5144 0.5254 0.5261 1.4764 0.4307 0.4102 0.3853 1.3929 1.4999 1.5289 1.4824 1.5552 1.5917 1.4529 1.4853 1.4268 1.4080 1.3648 1.4216 1.5599 1.6669 1.4108 1.5746
Docosanoic acid 1.1352 0.9977 1.2773 0.8530 1.1092 0.8715 0.7864 0.9709 0.8644 0.8767 0.7319 1.0209 0.9073 1.4937 0.7490 0.9150 1.4025 0.9562 0.9287 0.9812 0.9058 0.9866 0.9456 1.0000 0.7860 0.8109 1.0145 1.2619 1.0841 1.1655 0.9489 1.0025
D-Ribose 0.6803 0.7300 0.7365 0.7093 0.6839 0.6664 0.6862 0.6697 0.6446 0.7331 0.6760 0.6572 0.5977 0.7347 0.7348 0.7197 1.2121 1.2748 1.3408 1.3593 1.2300 1.2348 1.2914 1.3941 1.2536 1.2550 1.1693 1.2940 1.3626 1.2061 1.3565 1.4537
D-Ribose 1,5-bisphosphate 0.1647 0.1782 0.1896 0.2732 0.1588 0.1933 0.2011 0.2398 0.1220 0.1659 0.1660 0.2079 0.1963 0.2077 0.2098 0.2573 1.7012 1.9536 1.6899 1.7833 1.7699 1.7855 1.7111 1.8625 1.3640 1.6620 1.4146 1.7144 2.3795 1.9095 1.6873 1.9648
D-Ribose 5-phosphate 0.3453 0.3840 0.3620 0.3688 0.3573 0.3636 0.3751 0.3692 0.3169 0.3578 0.3532 0.3436 0.3623 0.4172 0.4098 0.4170 1.6534 1.5231 1.5988 1.6219 1.6649 1.5027 1.6266 1.6529 1.7015 1.5208 1.5729 1.6596 1.8420 1.4610 1.5666 1.6190
D-Sedoheptulose 1,7-bisphosphate 0.0732 0.0603 0.0665 0.0701 0.0736 0.0619 0.0643 0.0629 0.0692 0.0617 0.0588 0.0665 0.0649 0.0732 0.0588 0.0652 1.6829 1.7230 2.0135 2.0974 1.8788 1.4735 2.1871 2.1320 1.9582 1.5797 1.9429 2.0367 1.8145 1.4000 2.0530 2.2555
D-Sedoheptulose 7-phosphate 0.6921 0.6529 0.7321 0.6734 0.7511 0.6406 0.6680 0.6389 0.6758 0.5982 0.6450 0.5967 0.5221 0.7733 0.7780 0.7156 1.1853 1.1910 1.4472 1.5144 1.1997 1.1144 1.3376 1.5394 1.3562 1.3835 1.4420 1.7036 0.9889 0.8414 1.1146 1.4111
dTTP 0.8004 0.7814 0.7302 1.0415 0.7325 0.8841 1.1649 1.4086 0.8123 0.9363 1.0760 1.6911 1.2463 0.7317 1.0871 1.3385 NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA
D-Xylose 0.7078 0.7733 0.6383 0.7594 0.7160 0.6868 0.8364 0.7099 0.6829 0.8148 0.6003 0.6386 0.7234 0.6014 0.7389 0.6288 1.2041 0.9453 1.2457 1.0783 1.6527 1.3298 1.3515 1.5656 1.2661 1.3069 1.4324 1.2843 1.1877 1.1902 1.0681 1.4196
Erythronicacid 0.3239 0.3695 0.3421 0.3445 0.2658 0.3319 0.3763 0.3190 0.3290 0.3434 0.3634 0.3124 0.4051 0.3271 0.3546 0.3054 1.5184 1.7038 1.8148 1.6522 1.7203 1.9819 1.5532 1.5242 1.4441 1.5543 1.3899 1.3801 1.5781 2.1839 1.6980 1.5663
[FA (16:4)] hexadecatetraenoic acid 0.9699 0.9799 0.9785 0.9637 1.0449 1.0035 0.9227 1.0128 1.1386 1.0145 1.0413 0.9073 1.0382 1.0749 0.9707 0.9987 0.9614 0.9930 1.0284 0.9638 1.1160 0.9650 1.0152 1.0019 0.9772 1.1118 1.1383 0.9566 0.8858 0.9630 1.0313 0.9293
FA (17:0) 1.4145 0.9973 1.0974 0.9018 1.0158 0.9798 0.8246 1.0001 0.9558 0.8504 0.7556 0.8160 0.9100 1.1148 0.8495 1.0092 1.0682 1.0819 0.9946 0.9795 0.8991 0.9579 1.0252 1.0192 0.9490 0.9429 0.9663 0.9681 1.1118 1.0179 1.1653 0.9877
[FA (18:1)] 9Z-octadecenoic acid 1.3946 1.0076 1.0481 0.8807 1.0491 1.0765 0.9357 1.1020 0.9661 0.9057 0.8817 0.9390 1.0510 1.0725 0.8792 0.9958 1.0404 0.9859 0.8934 1.0131 0.9217 0.9450 1.0293 1.0049 0.9202 0.9153 0.9902 1.0659 0.9402 0.9157 0.9709 0.8688
[FA (18:3)] 9Z,12Z,15Z-octadecatrienoic acid 1.3018 1.0891 1.0742 0.8923 1.1047 1.2666 1.0245 1.1188 1.1978 1.1367 0.9485 1.0760 1.2996 1.0582 0.9381 1.0723 0.9913 0.8990 0.8778 0.8743 0.9065 0.8579 0.8754 0.9278 0.9221 0.9362 0.9340 0.9680 0.8969 0.7617 0.9430 0.8191
FA (20:0) 1.0691 1.0351 1.0439 0.8471 1.0962 1.0310 0.9132 1.0981 0.9345 0.8023 0.7894 0.9139 0.9128 1.2332 0.8426 0.9794 1.1783 1.0492 0.9260 0.9089 0.9123 1.0362 0.9638 1.0657 0.8788 1.0168 0.9314 1.0579 1.0889 1.1234 1.0971 0.9301
[FA (20:1)] 11Z-eicosenoic acid 2.1184 0.7910 1.3207 0.7851 0.9569 1.0854 0.8119 0.8710 0.8264 0.9459 0.5991 0.8394 0.6776 1.1351 0.7228 1.0753 1.0534 1.0284 0.9781 0.7533 0.9651 1.0224 1.0362 1.0914 0.9541 0.9564 1.0511 0.9241 0.8884 1.0601 0.9997 0.8655
FA (20:4) 1.0526 0.9965 0.9879 0.9738 1.0779 1.0962 1.0691 1.1632 1.1839 0.9781 0.8432 0.8438 1.0377 1.0009 1.0052 1.0793 0.9982 0.9187 0.9029 0.8947 1.0023 1.0205 1.0122 0.9885 0.9344 0.9955 1.0104 0.9499 0.9895 0.8800 1.1227 0.8428
[FA (22:5)] 7Z,10Z,13Z,16Z,19Z-docosapentaenoic acid 0.8856 0.8862 0.8775 0.8203 1.0212 0.9163 0.8737 0.9054 1.0258 0.8885 0.7083 0.7792 0.8839 0.9974 0.7148 0.7242 1.1119 1.2331 1.1372 1.0804 1.0949 1.0043 1.0860 1.0573 1.0894 1.1102 1.2238 1.2427 0.9959 1.1208 1.3414 1.0231
[FA (23:0)] tricosanoic acid 1.1789 1.1366 1.2590 0.9315 1.0767 1.1193 0.8587 1.0219 1.0588 0.8311 0.6653 0.8027 0.5191 1.0711 0.8658 1.1470 0.9717 0.9296 1.0465 1.0360 0.9185 1.0376 0.9429 1.0232 0.8689 0.8498 0.9642 1.0054 0.9596 1.2196 1.1194 0.8987
Fagomine 0.6206 0.5392 0.5348 0.8351 0.8074 0.5095 0.6100 0.6060 0.3027 0.2335 0.5641 0.5973 0.6611 0.5945 0.8129 0.6436 1.7538 1.3538 1.8139 1.3362 1.5134 1.3017 1.3155 1.2087 1.1889 1.0072 1.1676 1.3448 1.3917 1.7273 1.2347 1.5412
[FA hydroxy(18:0)] 9-hydroperoxy-12,13-dihydroxy-10-octadecenoic acid 1.0178 1.0270 0.9881 1.0258 1.0637 0.9937 0.9395 1.0002 1.3090 1.0455 1.0979 1.1238 0.9332 0.8290 0.8462 0.8755 0.9286 0.9955 1.0007 0.9808 1.0938 0.9649 0.9944 0.8864 1.1701 1.1199 1.2636 1.2419 0.8084 0.7147 0.8513 0.8690
FA methyl(16:1) 4.4387 0.8617 1.2603 0.7216 0.8716 0.9520 0.7422 0.9221 0.8826 0.8228 0.6763 0.6992 0.7268 0.8599 0.7423 0.8794 0.9052 0.8124 0.7854 0.8289 0.7428 0.8340 1.1327 0.7802 0.7951 0.7918 0.6594 0.9675 0.9305 0.7630 0.8805 0.7552
FA methyl(18:0) 1.1259 1.0727 1.0448 0.9141 1.0784 1.0450 0.9290 1.0199 0.9100 0.9186 0.7657 0.8549 0.8783 1.0470 0.9192 0.9480 1.0314 1.0723 0.9841 0.9594 0.9300 1.0048 1.0336 0.9899 0.9145 1.0189 1.0536 1.1338 1.0084 1.0307 1.0939 0.9466
[FA] Methyl jasmonate 0.8824 0.9600 0.9683 1.0289 0.9355 0.9168 0.9868 1.0508 0.9880 0.9609 1.0523 1.2035 1.0055 0.9449 0.8893 1.0512 1.0041 1.0482 1.0339 1.0658 1.1055 1.0527 0.9307 0.9983 0.9096 1.0144 1.1227 1.1394 0.9546 0.9533 0.9432 0.9119
[FA oxo(8:1)] 5-oxo-7-octenoic acid 0.9386 0.9518 0.9413 0.9546 0.9054 0.9894 0.9832 0.9842 1.0005 1.0376 1.0579 1.0499 0.9474 0.8803 0.8519 0.8751 0.9422 1.0395 1.0323 1.0399 1.1160 1.0566 1.0587 1.0700 1.1146 1.1306 1.1538 1.1677 0.8768 0.9066 0.9073 0.9410
[FA trihydroxy(4:0)] 2,3,4-trihydroxy-butanoic acid 0.8139 0.8981 0.9299 0.8756 0.7857 0.8011 0.8490 0.8160 0.7470 0.8968 0.9426 0.7968 0.6380 0.8285 0.9275 0.8308 1.1089 1.2425 1.2907 1.0553 1.2192 1.4514 1.0856 0.9931 1.0669 0.9872 0.8804 0.9559 1.1845 1.6761 1.1724 1.1264
Folate 1.0157 1.0133 1.0295 1.1188 1.0059 0.9309 1.0654 1.0336 1.0289 1.0774 1.0744 1.1157 1.3566 1.0069 0.9601 1.2149 0.6424 NA NA NA NA 0.3198 NA 0.5621 NA NA NA 0.2729 0.2655 NA NA NA
GalNAcbeta1-3Galalpha1-4Galbeta1-4Glcbeta-Cer(d18:1/24:1(15Z)) 1.0404 0.9890 0.9901 1.0924 0.9840 0.8446 0.9234 1.0269 0.9200 0.8258 0.8111 0.9375 1.2853 1.0753 0.9961 1.0171 1.0706 0.9944 1.0624 1.0252 1.0711 0.9725 1.0548 0.9540 0.9617 0.9297 0.9175 0.9937 1.0215 1.1980 1.0844 1.0943
Ganglioside GA1 (d18:1/24:1(15Z)) 0.9345 1.1717 1.0937 1.0748 1.0063 0.9856 0.9869 1.1298 0.8389 0.7666 0.8213 0.8662 0.9740 1.1829 1.0204 1.1722 0.8561 1.0372 1.0434 1.0209 0.8793 0.9602 1.0624 0.9477 0.8152 0.9362 0.9683 0.8941 0.9824 1.1574 1.2204 1.0079
Ganglioside GM1 (d18:1/24:1(15Z)) 1.0684 0.9994 1.0145 1.0264 1.0209 0.7937 0.9755 0.9916 1.1368 1.0042 1.0064 1.1259 1.0218 0.8668 0.7989 0.9032 0.9646 0.9739 1.0014 1.1067 0.9818 0.9897 1.0355 1.0540 1.0566 0.9972 1.0354 1.0513 0.9690 0.9403 0.9899 1.0038
GDP-L-fucose 1.0481 1.0522 1.0668 1.1423 0.9984 0.9813 1.0535 1.0404 1.0924 1.0589 1.0642 1.0929 0.9414 1.0303 1.0587 0.9983 0.9195 0.9719 1.0049 0.9453 0.9564 0.9393 0.9476 0.9875 0.9819 0.9537 0.9550 0.9395 0.9458 0.9205 0.9207 0.9501
GDP-mannose 1.2234 1.2543 1.1842 1.3443 1.1484 1.1269 1.2559 1.1571 1.1551 1.1881 1.1802 1.2014 1.2416 1.1441 1.2739 1.1180 0.7925 0.7733 0.9312 0.7464 0.8641 0.9377 0.7687 0.7831 0.8633 0.8825 0.8045 0.8355 0.6649 0.9123 0.6949 0.6784
Glepidotin B 0.5141 0.3893 0.4847 0.5125 0.6973 0.4611 0.4065 0.4277 0.5946 0.4384 0.3841 0.4210 0.5804 0.4446 0.5194 0.5165 1.5571 1.4218 1.7222 1.4921 1.6487 1.4707 1.5173 1.4684 1.6788 1.4853 1.4279 0.9765 1.6678 1.4488 1.2917 1.5894
Glucosylgalactosylhydroxylysine 0.9653 1.0020 1.0090 1.0778 0.9787 0.9471 1.0152 1.0378 0.9103 1.0230 1.0265 1.0125 0.8517 0.9729 1.0490 0.9747 0.9272 1.0330 0.9916 1.0324 0.9865 0.9844 1.0357 1.0238 1.0279 1.0210 1.0264 1.0009 0.9549 0.9714 0.9370 1.0585
Glu-Cys 0.8230 0.8512 0.9287 0.8016 0.9516 0.6844 0.7796 0.8329 0.8386 0.8900 0.9437 0.8063 0.4998 0.8871 0.7230 0.8457 1.1561 1.1563 1.0997 1.3067 0.9445 0.9071 1.2392 1.3298 0.8941 0.8975 1.0444 1.0109 1.4053 1.0220 1.5285 1.5757
Glu-Glu 1.1308 1.2489 0.9560 0.6345 0.9540 1.0239 0.9775 0.9797 1.0842 1.3309 1.0691 0.8469 1.4233 0.9691 0.7605 0.7579 NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA
Glu-Gly 1.3936 1.3902 0.7616 0.5720 1.5311 1.4111 1.8487 1.5743 1.5719 2.2492 1.7264 1.1748 0.9481 1.6684 1.3871 0.9700 0.5763 0.6415 0.5899 0.6104 0.6971 0.6694 0.5493 0.7041 0.7128 0.8093 0.6749 0.6727 0.5830 0.5270 0.5658 0.5546
Glutathione 0.9226 0.9643 0.9781 1.0245 0.9310 0.8775 0.9720 0.9775 0.9799 0.9982 0.9909 1.0152 0.9119 0.9240 0.9564 0.9410 0.9852 1.0298 1.0910 1.0377 1.0675 1.0421 1.0201 1.0754 1.1100 1.0638 1.0383 1.0724 0.9374 1.0213 0.9933 1.0189
glutathione-sulfite 1.4037 1.3260 0.8737 0.8153 1.0999 1.1513 1.1063 0.7778 0.7107 0.9177 0.7429 0.7088 0.9305 1.0610 0.9624 0.9258 1.1596 0.9587 0.8033 0.7938 0.7924 1.1843 1.1309 0.8743 0.7224 1.1574 0.8650 0.8433 2.0389 1.1018 1.0783 0.7750
Glycerone phosphate 0.1774 0.1454 0.1321 0.1025 0.1755 0.1644 0.1249 0.1199 0.1500 0.1510 0.1200 0.1142 0.1728 0.1686 0.1121 0.1125 1.6735 1.9434 1.8963 1.8326 1.6771 1.7856 1.9524 1.8364 1.6694 1.8912 1.8555 1.7510 1.8351 1.8045 1.9039 1.9243
Glycylproline 0.9150 0.9440 0.9681 1.0655 1.0125 0.8029 0.9740 1.0334 1.0155 1.0160 1.0465 1.0537 0.8775 0.8797 0.9209 0.9957 0.9592 0.9988 1.1109 0.9953 0.9866 1.0394 0.9672 1.1057 1.0427 1.1425 1.1280 1.1263 0.9484 0.9570 1.0073 0.9869
Glyoxylate 1.0862 1.1379 1.1081 1.2663 1.0325 1.0713 1.1258 1.2266 1.0050 1.1076 1.0406 1.1298 1.2797 1.1740 1.0525 1.2457 0.8346 0.7970 0.9144 0.9401 0.7915 0.8573 0.8690 1.0132 0.8743 0.9840 0.8957 1.1081 0.7755 0.7224 0.6841 0.8835
H2S2O3 1.0000 1.0562 1.0783 0.7842 1.1959 1.1274 1.0103 0.7804 0.9757 1.2444 1.0263 0.7713 1.0450 1.1962 1.0129 0.8780 0.9874 1.5293 0.9565 0.8050 0.9394 1.0050 0.9691 0.8293 0.9408 0.9850 0.9685 0.8143 1.1134 1.0545 0.9822 0.8592
HEPES 1.4089 1.4577 1.3951 1.5165 1.4068 1.2707 1.4766 1.3671 1.4333 1.4651 1.5135 1.4753 1.3035 1.3315 1.4138 1.3735 0.6530 0.5952 0.5516 0.5971 0.5715 0.5631 0.5605 0.6373 0.6748 0.5457 0.5370 0.8045 0.6128 0.5562 0.5844 0.5908
Heptopyranosides 0.9191 0.8631 0.9284 1.0015 0.8659 0.8950 0.9317 0.9393 1.0143 0.9617 1.1553 1.2855 0.9998 0.8366 0.8488 0.8654 0.9510 1.0589 1.0644 1.0333 1.2230 1.0067 1.0953 1.1183 1.1174 1.1288 1.1498 1.3101 0.8630 0.9366 0.8007 0.8853
Hexadecanoic acid 1.1089 0.9913 1.0500 0.8296 1.0904 1.0873 0.8817 1.1089 0.8572 0.8940 0.7703 0.9453 0.9410 1.2738 0.7991 0.9383 1.2136 1.0317 0.9812 0.8778 0.9185 0.9512 0.9755 1.0729 0.8507 0.9616 0.9704 1.1708 1.1591 1.0379 1.0949 0.8703
hexane-6-ol-1,3,4,6-tetracarboxylate 1.1957 1.1547 1.0646 0.9355 1.1399 1.0794 1.1392 1.1225 1.0750 1.1486 1.2362 1.0427 1.4659 1.1392 1.3566 1.1076 0.9367 0.9140 0.9211 0.8200 0.9054 0.8881 0.8610 0.8341 0.8744 0.7722 0.7719 0.8200 1.0163 0.9709 0.8679 0.8402
Hydantoin-5-propionate 1.4203 1.4635 1.0604 0.7687 1.4290 1.4165 1.9260 1.7428 1.5901 1.9454 1.9968 1.5007 0.9429 1.4202 1.3075 1.1343 0.5173 0.5856 0.5022 0.5477 0.6062 0.5559 0.5802 0.5698 0.6514 0.6426 0.6961 0.6786 0.5153 0.3965 0.4976 0.4682
Hydroxymethylphosphonate 1.6694 1.7800 2.0327 1.7845 1.6844 1.5439 1.8132 1.9537 1.5284 1.5707 1.7076 1.6725 1.9329 1.9133 1.9209 2.0716 0.2400 0.1671 0.1894 0.1949 0.2075 0.2037 0.2776 0.2935 0.2536 0.1990 0.2184 0.2455 0.2707 0.1596 0.1914 0.2487
Hydroxypyruvate 0.9199 1.0120 1.0110 1.0248 1.0455 0.9865 0.9572 1.0425 1.0791 0.7022 1.1587 1.0896 0.7281 0.8332 0.9035 1.0019 1.0170 0.9104 0.8231 0.9916 1.0117 1.0586 0.9976 1.0098 1.3500 1.1340 1.1783 1.1763 1.1833 0.6060 1.1250 0.7828
Icosatrienoic acid 1.5131 1.0661 0.9579 0.8132 0.9222 1.1290 0.9614 0.9745 1.3130 0.9811 0.9734 0.8776 1.1945 1.1071 0.9450 0.8691 0.8233 0.9965 0.8236 0.8399 1.0312 0.9260 1.1756 0.9981 1.1906 0.9992 0.9155 0.9240 0.9361 1.1326 0.8483 0.9257
IDP-D-mannose 1.3117 1.4432 1.5288 1.1821 1.5744 0.8179 1.2939 1.2826 2.0832 2.1607 2.2061 2.3381 0.1451 0.3427 0.1958 0.3062 0.3500 0.3607 0.4267 0.4092 0.2838 0.3092 0.3451 0.3872 0.3821 0.4234 0.4514 0.4899 0.2162 0.1007 0.2702 0.2731
Imidazole-4-acetaldehyde 1.0083 1.2362 1.0686 1.0798 0.8680 1.0247 1.1569 0.9277 0.5282 0.5655 0.6613 0.6815 1.1080 1.4832 1.6508 1.3084 1.0954 0.9082 1.1328 0.9288 0.6480 0.9885 1.0695 0.8985 0.5767 0.7088 0.7138 0.7894 1.2749 1.6815 1.4933 1.1069
Iminodiacetate 2.3612 2.0489 1.2413 0.7089 2.2672 1.7919 1.4358 0.7649 1.9447 1.9300 1.2543 0.7007 2.4380 1.9001 1.6520 0.7342 0.3590 0.4539 0.4855 0.5377 0.3822 0.4285 0.5048 0.5690 0.5181 0.5725 0.5902 0.6144 0.2695 0.2426 0.4112 0.4504
IMP 1.1775 1.1213 0.9687 1.1420 1.0539 1.0075 1.0576 0.9781 1.0874 1.0847 0.9405 1.0257 1.2776 1.0254 1.1735 1.0320 0.8921 0.8191 0.8441 1.0126 1.0362 1.1078 0.8427 1.0454 0.9746 0.8054 0.6400 0.7857 0.8250 1.1997 0.9654 1.2920
Indoleacrylicacid 0.8077 0.8440 0.8010 0.9015 0.7468 0.8566 0.8129 0.7940 0.6932 0.7466 0.7357 0.7372 0.8736 0.8783 0.9716 0.8732 1.1942 1.2085 1.4300 1.1371 1.1929 1.2014 1.1573 1.1590 1.0999 1.1060 1.0782 1.0906 1.1207 1.3447 1.1261 1.1786
Indoxylsulfate 0.9763 1.0308 1.1388 0.9926 0.8561 0.8692 1.0197 0.9768 1.0453 0.8354 0.8956 0.9111 0.8278 0.9283 1.0749 1.2344 0.9102 1.0289 1.0096 0.9342 1.0834 0.9375 0.9354 1.1463 1.5372 0.8289 0.9213 0.8518 0.9672 1.0825 1.0286 1.2120
ITP 1.4224 1.4212 1.4474 1.3008 1.5899 1.0712 1.4857 1.4146 2.1712 2.2003 1.9594 2.1178 0.4948 0.7842 0.4905 0.7883 0.5226 0.6114 0.4065 0.6623 0.6119 0.5311 0.6251 0.6456 0.7967 0.7338 0.7437 0.7779 0.4996 0.2403 0.4575 0.5558
Kinobscurinone 1.0819 1.1281 0.9713 1.1040 0.9607 1.2812 1.0190 1.2285 0.9436 1.1930 1.1761 1.3323 1.0746 1.2238 1.0166 1.1716 0.7777 0.8884 0.8522 0.7733 0.9889 1.1891 0.9494 0.8665 0.7885 0.9002 0.8482 0.7695 0.9755 0.9565 0.7231 0.8991
L-Arabinose 0.5564 0.5060 0.6372 0.6367 0.8646 0.5302 0.6042 0.6415 0.7111 0.6163 0.7513 0.6742 0.5669 0.4557 0.5420 0.5311 0.9346 1.4188 1.4182 1.2223 1.5014 1.2592 1.4396 1.5470 1.5865 1.7007 1.7777 1.6930 0.9658 0.9719 1.0586 1.4650
L-Aspartate 0.8343 0.8966 0.8407 0.9383 0.8472 0.8387 0.8966 0.8641 0.8481 0.8800 0.8831 0.8522 0.8471 0.8620 0.9435 0.8594 1.0454 1.0249 1.1144 1.0648 1.1765 1.1240 1.2094 1.2670 1.1183 1.0493 1.0493 1.1373 1.1723 1.0759 1.1348 1.2351
L-cysteine sulfinate 0.4450 0.3751 0.3459 0.3590 0.4051 0.4868 0.4098 0.2809 0.4927 0.3956 0.3104 0.5341 0.3399 0.3032 NA 0.3176 1.1434 1.1705 1.0691 1.3204 1.6101 1.2787 1.4373 1.5920 1.3611 1.5846 1.2569 1.5887 1.3267 0.9760 1.3792 1.4157
L-Erythrulose 0.5930 0.5608 0.5294 0.5307 0.6080 0.5463 0.4741 0.4812 0.5521 0.5923 0.4642 0.4883 0.5877 0.6161 0.5326 0.5051 1.3382 1.4548 1.4382 1.5311 1.5250 1.4299 1.3796 1.5504 1.7356 1.6409 1.5046 1.6271 1.0392 1.0286 1.2444 1.4682
L-Fuculose 1-phosphate 1.0174 1.0736 1.2468 1.0521 1.2209 0.9682 1.1233 1.1120 1.1390 1.1886 1.3346 1.3442 0.7925 1.0877 0.8588 1.0641 0.8090 0.9041 0.8241 0.8486 0.8743 0.9836 0.9194 0.8642 1.0770 1.0416 1.0591 1.0107 0.7221 0.8727 0.7215 0.7554
LPA(18:0) 0.8385 0.8892 0.7350 0.5806 0.9468 0.8298 0.6755 0.6298 0.9010 0.7719 0.6237 0.4711 0.7656 0.7409 0.7008 0.5569 1.1836 1.2734 1.1608 1.1389 1.2289 1.3036 1.4507 1.2186 1.2424 1.3593 1.2852 1.1517 1.1924 1.3651 1.3467 1.1595
LysoPE(22:4) 0.9067 1.0245 0.9012 0.9750 0.9833 1.1618 0.9832 0.9285 0.8590 0.9788 0.9312 0.9424 0.6562 0.8846 0.9316 0.7759 1.0665 1.1203 0.9918 1.0509 0.9190 1.0829 1.1108 0.9884 0.9033 1.0766 1.1728 1.2613 1.1330 0.9018 1.0393 0.9442
LysoPE(22:5) 0.9308 1.0550 0.9530 0.9119 1.0210 1.1950 1.0357 0.9132 0.8660 0.8131 0.7860 0.9400 0.7798 0.8841 1.0910 0.9521 1.0065 1.1870 0.9950 1.0036 0.8362 1.0481 1.1378 0.9853 0.8443 0.9311 0.9398 1.0260 1.3928 0.9890 1.1668 1.0221
Mannitol 0.5146 0.5227 0.5039 0.4724 0.4988 0.5024 0.5053 0.4765 0.4611 0.4688 0.4568 0.4554 0.6197 0.5404 0.5548 0.5057 1.4589 1.5043 1.5055 1.4758 1.4521 1.4984 1.4744 1.5029 1.3800 1.3832 1.3520 1.3633 1.5847 1.6563 1.5854 1.5981
melibionate 1.1684 1.1620 1.2149 1.2780 1.1250 1.1090 1.2142 1.1672 1.0084 1.0887 1.2291 1.0880 1.2044 1.1822 1.3086 1.2478 0.8095 0.8264 0.8373 0.8233 0.8674 0.7931 0.8467 0.8654 0.8431 0.7607 0.8139 0.8438 0.8557 0.8232 0.8268 0.8820
(-)-Menthyl O-beta-D-glucoside 0.9828 1.0207 1.0007 0.9683 0.9142 0.9208 0.9529 0.9604 1.0509 1.1225 1.0991 1.1931 0.8947 0.8473 0.7860 0.7789 0.9702 1.0029 1.0714 1.0013 1.1820 0.9994 1.0295 1.0287 1.2976 1.2074 1.2276 1.2801 0.7458 0.8207 0.7870 0.7491
MES 1.0180 1.0031 0.9895 1.0219 0.9264 0.8757 0.9801 0.9805 0.9978 1.0237 1.0646 1.1240 0.9019 0.9494 1.0222 0.9861 0.9708 0.9891 1.1033 1.0341 1.0640 0.9049 1.0604 1.0428 1.1635 0.9710 1.0950 1.1514 0.8515 0.7761 0.9461 0.9611
Met-Met-Met 0.8415 0.8899 0.9181 1.0215 0.8989 0.7690 0.8929 0.8706 0.9537 0.9657 0.9450 0.9224 0.7677 0.9346 0.8491 0.8276 1.0425 1.0896 1.1839 1.1272 1.1431 1.0727 1.1087 1.1296 1.2476 1.1578 1.1542 1.2457 0.8968 0.9716 1.0243 1.0021
Miroestrol 1.1708 1.1451 1.0379 1.0265 1.1412 1.0289 1.0300 0.9956 1.0487 1.1283 1.0064 0.9435 1.1599 1.1548 1.1393 1.0996 0.9660 0.9376 0.9372 0.9539 0.9054 0.8357 0.9385 0.9394 0.9026 0.9555 0.9097 0.8966 0.9874 0.8694 0.9448 0.9697
Monomethyl sulfate 0.6822 0.8061 0.9100 1.0289 0.7797 0.7816 0.9725 0.8722 0.5960 0.7867 0.8141 0.7343 0.7906 0.9388 1.2816 1.1985 0.8972 1.2018 1.4844 1.2298 0.8501 0.9921 1.1642 1.1854 0.7736 0.8704 0.9614 1.2990 1.2023 1.1580 1.3990 1.4341
N-(2,3-Dihydroxybenzoyl)-L-serine 0.8185 0.8136 0.9039 0.7490 0.9528 0.7809 0.8605 0.8755 1.0049 1.0508 1.0211 0.9642 0.6353 0.8161 0.6382 0.7726 0.9044 1.1719 0.9513 1.1734 1.1988 1.1668 1.2508 1.1830 1.3113 1.4035 1.2902 1.3281 1.0201 0.7290 0.9380 1.0000
N3-fumaramoyl-L-2,3-diaminopropanoate 0.9549 1.0054 0.9948 0.9364 0.9997 0.8941 0.9763 1.0032 1.0978 1.1627 1.1813 1.1114 0.6580 0.8703 0.7649 0.8539 0.9300 1.0514 0.9120 1.0252 1.0398 1.0472 1.0535 1.0255 1.2398 1.1742 1.1876 1.0991 0.9314 0.7934 0.9136 0.8763
N5-formyl-N5-hydroxy-L-ornithine 1.5376 1.4900 0.7065 0.6173 1.5047 1.3891 1.7920 1.6607 1.6551 2.4313 1.5206 1.3669 1.2110 1.7250 1.4263 1.1951 0.5820 0.6591 0.5727 0.5765 0.5943 0.5890 0.6013 0.6032 0.6211 0.5774 0.5519 0.5280 0.6118 0.5003 0.5150 0.5618
N-Acetylanthranilate 1.0872 1.0920 0.7860 0.7376 1.1139 0.9114 0.7467 0.7281 1.1974 1.3093 0.9520 0.8313 0.7241 0.8291 0.6476 0.5925 1.2144 1.3098 0.8888 0.8787 1.3923 1.4148 0.8875 0.8938 1.4728 1.3506 0.9683 0.9905 1.1803 1.1761 0.7917 0.7930
N-Acetyl-beta-D-glucosaminylamine 1.1415 1.2142 1.2324 1.2131 1.0822 1.0844 1.1956 1.2021 1.1409 1.1859 1.1709 1.1552 0.9076 1.1487 1.1090 1.1675 0.7812 0.8067 0.8704 0.8901 0.8085 0.7928 0.8523 0.9312 0.9197 0.9237 0.8174 0.9492 0.8059 0.7629 0.7981 0.7807
N-Acetyl-D-fucosamine 0.8389 0.9339 0.8008 0.7269 0.9977 0.7253 0.8458 0.8031 1.0025 1.0491 1.0853 1.0787 0.6707 0.7926 0.4821 0.5821 1.0638 1.1972 1.1681 1.2055 1.1966 1.1428 1.1097 1.1719 1.5330 1.4875 1.5466 1.4103 0.7890 0.6138 0.7851 0.7775
N-Acetyl-D-glucosaminate 0.9129 0.9568 0.9441 0.9548 0.9150 0.8637 0.9043 0.9424 0.8154 0.8853 0.8938 0.8650 0.9267 1.0140 1.0581 1.0653 1.0267 1.0791 1.0793 1.0975 1.0415 1.0741 1.0531 1.0675 1.0300 0.9314 0.9629 0.9355 1.1859 1.2130 1.1334 1.2406
N-Acetyl-D-glucosamine 1,6-bisphosphate 0.8710 0.8421 0.9207 0.9761 0.8293 0.8510 0.9546 0.8807 0.8362 0.9780 0.9373 0.9625 0.8864 0.8940 0.8638 0.8141 1.0016 1.0563 1.1365 1.0712 1.2067 1.1959 1.0923 1.1592 1.1185 1.1706 1.1372 1.1965 1.0172 1.0258 0.9459 1.0875
N-Acetyl-D-glucosamine 6-phosphate 0.9746 0.9430 0.9337 0.9612 0.9767 0.8384 0.9979 0.9041 1.0728 1.1443 1.1241 1.0600 0.6456 0.7866 0.7232 0.6861 1.0224 0.9869 1.0443 1.0475 1.2109 1.0854 1.0584 1.0812 1.3019 1.2695 1.2320 1.3777 0.8491 0.7496 0.7890 0.8145
N-Acetyl-L-glutamate 1.1271 1.2965 1.2666 1.1516 1.2460 1.2399 1.1213 1.0073 1.3239 1.4076 1.3048 1.1089 1.0240 1.2260 0.9453 0.9585 0.7735 0.8873 0.7533 0.7610 0.7820 0.8552 0.8868 0.8225 0.9284 1.0181 0.8942 0.8870 0.7766 0.6056 0.7904 0.7170
N-Acetylneuraminate 0.9732 0.7612 0.7239 1.0324 0.9885 0.6136 0.8975 0.8162 1.3959 1.4739 1.5495 1.6492 0.1323 0.1398 0.1621 0.1238 1.2630 0.9761 1.4597 1.0677 1.4845 1.1186 0.9678 1.1160 1.8872 1.7215 2.0703 2.1587 0.1249 0.1634 0.1422 0.1254
N-Acetylornithine 0.6781 0.7145 0.6894 0.6746 0.5940 0.6988 0.6271 0.6298 0.5740 0.6085 0.5867 0.5834 0.8693 0.7373 0.7865 0.6751 1.2657 1.2963 1.4754 1.1835 1.3628 1.5027 1.4070 1.2571 1.2062 1.1722 1.2023 1.2016 1.4008 1.7367 1.3327 1.3053
N-Benzyloxycarbonylglycine 1.0216 0.9765 1.0152 1.1603 0.8375 0.9553 1.0889 0.9400 0.9531 0.8867 1.0572 1.1431 1.3307 0.9917 1.1883 1.0921 0.9099 0.8465 1.0351 0.9953 1.1530 0.9742 1.0889 1.0733 0.9703 0.8096 0.8857 1.1482 0.7795 1.0625 0.8802 1.0209
N-Glycolyl-D-glucosamine 0.9387 0.9877 0.9908 0.9559 0.8896 0.9411 0.9185 0.9367 0.8346 0.8823 0.8719 0.8634 0.9519 1.0449 1.0874 0.9983 0.9877 1.0910 1.0807 1.0401 1.0312 1.0796 1.0591 1.0643 0.9746 0.9676 0.9602 0.9137 1.1623 1.1412 1.1994 1.1637
N-Heptanoylhomoserine lactone 1.0786 0.9285 0.9476 1.0772 0.7900 1.0481 0.9518 1.0592 0.9006 1.1405 1.1595 1.1994 0.8529 0.6824 0.6547 0.7012 0.8108 0.8551 1.1586 1.1647 0.9055 0.9386 1.1206 1.2592 1.2652 1.0692 1.1690 1.3627 0.6865 0.7609 0.7139 0.9786
N-Hydroxy-L-tyrosine 0.8205 0.8974 0.6977 0.6588 0.8521 0.8314 0.7229 0.6145 0.8362 0.8645 0.6390 0.5834 0.8824 0.8395 0.8068 0.6542 1.1924 1.3888 1.0624 1.0066 1.3108 1.7379 1.3138 0.9878 1.1080 1.3443 1.1977 1.0421 1.3640 1.6236 1.1910 0.9101
nicotinamide guanine dinucleotide 0.7506 0.7664 0.7408 0.7500 0.7644 0.6615 0.7750 0.7146 0.8194 0.8906 0.8384 0.8598 0.6686 0.6830 0.6946 0.6349 1.1453 1.2971 1.2607 1.1046 1.4966 1.5126 1.2382 1.0458 1.4780 1.3883 1.4020 1.1827 1.0812 1.5109 0.8974 0.9055
NicotinamideN-oxide 1.0922 1.2636 1.0078 1.0305 0.9497 1.0173 1.1219 0.8893 0.5210 0.6376 0.6221 0.5822 1.2276 1.3475 1.5712 1.2676 1.1902 0.8200 0.9755 0.9501 0.9729 1.1832 0.9620 0.8517 0.6485 0.6738 0.6850 0.7528 1.5557 1.5644 1.3189 1.0598
N,N-Dihydroxy-L-tyrosine 0.9789 1.0685 1.1136 1.0698 0.9752 0.9574 1.0341 0.9850 0.9979 1.0268 1.2273 1.0086 0.9561 1.0187 1.0074 0.9591 0.9382 0.9803 0.9601 0.9750 1.0092 1.0468 0.9938 0.9183 1.0314 1.0295 1.0600 1.0960 0.9333 0.8383 0.8966 0.8634
N,N-Dimethylglycine 0.9702 0.9421 0.9410 0.9674 1.0184 0.8931 0.9721 0.9630 0.9029 0.9510 0.9141 0.8924 0.9202 1.0436 0.9791 1.0494 1.0022 0.9899 1.0266 1.0604 0.9981 0.9021 1.1224 1.2101 1.0272 1.0184 1.0425 1.1154 1.0365 0.7968 1.0499 1.1275
N,N^-Dimethylurea 0.9310 0.9871 0.9626 1.0528 0.8752 0.9105 0.9405 0.9464 1.0394 1.0193 1.0626 1.0191 1.1199 0.9328 0.9443 0.9200 0.9160 0.9853 1.1472 1.0504 1.0523 1.0070 1.0342 1.0962 1.1552 1.0173 1.0646 1.1192 0.8914 0.9580 0.9666 1.0347
nonulose 9-phosphate 0.9560 0.9730 0.9876 1.1263 0.9235 0.9206 1.0067 0.9607 0.9124 0.9549 0.9209 0.9218 0.9512 1.0443 1.1193 1.0251 0.9733 0.9908 1.1101 1.0468 0.9982 1.0005 1.0115 1.0729 0.9909 0.9735 0.9707 1.0182 1.0260 1.0686 1.0061 1.0576
Norepinephrinesulfate 0.3403 0.3641 0.3519 0.2733 0.3838 0.3441 0.3729 0.3052 0.5131 0.6210 0.4222 0.5168 0.2793 0.2430 0.2563 0.2387 1.2961 1.8185 1.3409 1.3996 2.1323 2.2732 1.5312 1.4701 2.7801 2.7502 2.1773 2.0743 1.2128 1.7606 1.2225 1.1094
N-Succinyl-L-glutamate 0.9159 1.0654 1.1843 1.0320 0.8643 0.9488 1.0223 0.9520 0.9007 1.1592 1.2330 0.9905 0.8340 0.9648 0.9783 0.8514 NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA
N-(tetradecanoyl)-sphing-4-enine-1-phosphate 0.9993 1.1683 0.9945 0.9588 1.0586 0.9224 0.8780 0.9441 0.8704 1.0746 1.0322 1.0283 0.8843 0.8638 0.7979 0.8801 0.9831 1.0298 0.9735 0.9872 1.0331 1.1059 1.0039 0.9910 1.1239 1.0194 0.9805 1.0837 1.0824 1.1526 1.1219 0.8820
Octadecanoic acid 1.0896 1.0002 1.0367 0.8423 1.1151 1.0583 0.8928 1.1332 0.8664 0.8671 0.7414 0.9358 0.8909 1.2692 0.7923 0.9188 1.2417 1.0717 0.9786 0.9024 0.8647 0.9802 0.9678 1.0562 0.8330 0.9539 0.9582 1.1157 1.1576 1.0956 1.1265 0.8696
octulose 8-phosphate 0.5802 0.5559 0.6043 0.6053 0.6104 0.5652 0.5799 0.5621 0.5308 0.5936 0.5754 0.5396 0.3782 0.6394 0.5498 0.5938 1.3648 1.3503 1.5065 1.5731 1.2416 1.1467 1.5025 1.5953 1.4053 1.3624 1.4198 1.5459 1.3385 0.9926 1.4794 1.5199
Orotate 1.0766 1.2657 0.9554 0.6786 1.0208 1.0533 1.1734 0.9026 1.0059 1.1190 0.9815 0.7630 1.0594 1.1178 1.2446 0.7550 NA NA NA NA NA NA NA NA NA NA NA NA 0.1133 NA NA NA
Orotate(Fragment) 1.1436 1.2161 1.2380 1.2702 1.2400 1.1574 1.2377 1.2027 1.1428 1.0938 1.2289 1.2786 1.1446 1.1963 1.3740 1.2607 0.8012 0.8050 0.7503 0.8623 0.7651 0.7500 0.8484 0.7514 0.7325 0.8948 0.7019 0.8858 0.7319 0.6614 0.8903 0.8133
Orotidine 0.8860 0.8895 0.8943 0.8807 0.8379 0.8206 0.8243 0.9081 0.8366 0.9061 0.9323 0.8896 0.8215 0.8468 0.8666 0.9039 1.0358 1.1276 1.0929 1.1594 1.1376 1.1672 1.1313 1.1308 1.1479 1.1099 1.0965 1.1022 1.1345 1.1052 1.1283 1.1490
Orthophosphate 1.0123 0.9047 0.9416 1.0310 1.0776 0.9362 1.0208 0.9495 1.0406 0.9459 1.0020 1.0304 1.0145 0.9459 1.0174 0.9812 1.0272 0.9640 1.0194 1.0655 1.0977 0.9773 0.9662 1.0091 1.0904 1.0191 0.9614 1.1323 0.9403 0.9817 0.8993 1.0680
O-Succinyl-L-homoserine 1.5373 1.2267 1.1425 1.3635 1.5263 1.1366 1.2556 1.3527 1.4748 1.4716 1.3853 1.3729 1.3976 1.1249 1.2223 1.2752 0.5492 0.4947 0.5574 0.4994 0.7363 0.6340 0.4680 0.3648 0.6412 0.6802 0.5352 0.5577 0.3607 0.6578 0.3925 0.3754
Ovothiol disulfide 0.7962 0.9414 0.8383 0.9166 0.7378 0.9058 0.8144 0.8101 0.4666 0.7626 0.6768 0.7840 1.0183 0.9625 1.1637 0.9096 1.2343 1.2991 1.2967 1.2120 0.9462 0.9587 1.2864 1.2146 0.6634 0.9400 0.6017 0.9469 1.2424 1.3633 1.4420 1.3961
oxindole-3-acetyl-aspartate-N-beta-glucosyl-beta-1,4-glucose 0.4703 0.5132 0.3927 0.3308 0.4700 0.4832 0.4894 0.5026 0.3299 0.3724 0.3402 0.2930 0.5575 0.5061 0.5890 0.3839 1.4537 1.2610 1.5286 1.3754 1.4759 1.2476 1.7026 1.7141 1.2227 0.8526 0.9903 1.5775 1.3172 1.6488 1.8640 2.2304
[PA(16:0/0:0)] 1-hexadecanoyl-2-sn-glycero-3-phosphate 0.6560 0.7698 0.6588 0.5522 0.7855 0.7632 0.6334 0.5163 0.7698 0.6931 0.6629 0.4468 0.7215 0.6571 0.6026 0.4568 1.0939 1.3220 1.2767 1.3018 1.3739 1.4402 1.4438 1.4063 1.3567 1.4717 1.3251 1.3935 1.1750 1.3879 1.3835 1.2536
PA(34:1) 1.1212 1.2472 1.1328 0.9989 1.1487 1.0788 0.9578 1.0740 0.9572 0.9485 0.8339 0.8654 1.2202 1.3535 1.1523 1.1587 0.8854 0.9247 0.8783 0.9413 0.8554 0.9269 1.0088 0.8768 0.8337 0.8031 0.8260 0.7617 1.0271 1.2060 1.2252 0.8710
PA(34:2) 1.0433 1.1916 1.0642 0.9841 1.0853 1.0509 0.9578 1.0535 0.9537 0.8936 0.7901 0.7991 1.1775 1.3684 1.1554 1.1669 0.9495 0.9712 0.9012 0.9229 0.9122 0.9463 1.0167 0.9677 0.8206 0.8816 0.9192 0.8193 1.0248 1.1295 1.1893 0.9889
PA(36:1) 1.2098 1.2910 1.1669 1.0945 1.2418 1.1553 1.0408 1.2122 0.9954 0.9828 0.9722 0.9270 1.2567 1.4420 1.1780 1.2719 0.7986 0.8468 0.8793 0.8327 0.7911 0.9389 0.8768 0.7935 0.7062 0.7540 0.7727 0.7300 0.9270 1.1056 1.0801 0.8095
PA(36:2) 1.1290 1.2074 1.1436 1.0198 1.1367 1.1512 0.9931 1.1693 0.9779 0.9295 0.8892 0.8745 1.3902 1.4014 1.0936 1.1899 0.8865 0.9148 0.8682 0.8796 0.8524 0.9356 0.9267 0.8831 0.8167 0.8039 0.8614 0.7995 0.9565 1.1125 1.0922 0.8439
PA(36:3) 1.0523 1.1209 1.0935 0.9549 1.1005 1.0929 0.9672 1.0834 0.9630 1.0099 0.9000 0.8576 1.1404 1.2691 0.9869 1.1358 1.0159 1.0004 0.9046 0.8614 0.9343 0.9906 1.0093 0.9586 0.8846 0.9109 0.9551 0.8963 0.9569 0.9939 1.0235 0.8821
PA(36:4) 1.0230 1.1664 1.0447 0.9079 1.0382 1.1070 0.9198 1.0183 1.0429 1.1034 0.9191 0.8548 1.0530 1.2278 0.9249 1.0456 0.9587 0.9825 0.8785 0.9279 0.9307 1.0457 0.9990 0.9724 1.0670 1.0280 1.0398 0.9053 1.0127 0.8426 1.0780 0.9054
P-DPD 0.9949 0.9706 1.0512 0.7798 1.0828 0.8181 0.9285 1.0708 1.4438 1.4259 1.4665 1.4966 0.3762 0.7017 0.3856 0.7009 0.7548 1.0286 0.6608 1.1108 1.0963 1.0347 1.0117 1.0682 1.5491 1.3626 1.5162 1.3908 0.6466 0.3674 0.6410 0.6446
PE(12:0/18:4(6Z,9Z,12Z,15Z)) 1.0696 1.0426 0.9846 1.0980 0.9618 0.7976 0.9747 0.9605 1.0860 0.8635 0.9156 1.0788 1.2459 0.9002 1.0206 0.9348 1.0313 0.9609 1.0485 0.9931 1.1187 1.0098 1.0862 0.9772 1.0654 0.9532 0.9575 0.9720 0.9191 1.0584 1.0406 1.0055
PE(13:0/18:4(6Z,9Z,12Z,15Z)) 1.0959 0.9788 0.9380 1.0701 0.9376 0.8408 0.9075 0.9774 0.9935 0.8574 0.8824 1.0253 1.3465 0.9564 1.0766 0.9955 1.1076 0.9977 1.0613 1.0325 1.1315 0.9875 0.9925 0.9686 1.0238 0.9488 0.9554 0.9862 0.9891 1.1250 0.9917 1.1148
PE(18:1) 0.8593 0.9428 0.8340 0.8141 0.9078 1.0355 0.8548 0.9536 0.7918 0.8069 0.7201 0.7191 0.7776 1.0408 0.9473 0.9623 1.1013 1.2256 1.0544 1.0143 0.9682 1.1690 1.3661 1.0867 0.8392 0.9242 0.9662 0.9397 1.2060 1.2386 1.4052 1.1614
PE(30:4) 0.9749 1.1153 1.0688 1.1025 1.0245 0.8997 1.0201 1.1184 0.8522 0.8790 0.9202 0.9113 0.8818 1.1309 1.0052 1.0179 0.8847 1.0327 1.0736 1.0299 0.9493 0.8550 1.0330 0.9338 0.9495 0.9760 1.0566 1.0130 0.9258 1.1028 1.1392 0.9803
PE(31:4) 0.8797 1.0838 1.0416 1.1249 1.0127 0.9080 1.0642 1.0962 0.8852 0.8302 0.8927 0.9015 0.9442 1.1375 1.0776 1.1015 0.9652 1.0765 1.0300 1.0547 0.9580 0.9256 0.8951 0.9470 0.9512 1.0025 1.0019 0.9461 0.9864 1.1670 1.1252 0.9725
PE(34:1) 1.1986 1.1210 1.1013 1.2102 1.1580 1.0690 1.0874 1.0993 0.9575 0.9845 0.9999 0.9870 1.1664 1.1930 1.1976 1.2099 0.9129 0.8847 0.9559 0.8861 0.8294 0.9608 0.8546 0.8299 0.7782 0.7891 0.8277 0.7876 1.0435 1.1007 0.9681 0.9736
PE(34:2) 1.2311 1.1679 1.1849 1.2064 1.1898 1.1677 1.1789 1.1789 1.0197 0.9951 0.9945 1.0139 1.2962 1.3303 1.3620 1.3727 0.8809 0.8347 0.9278 0.8191 0.7696 0.8500 0.7853 0.7964 0.6523 0.6765 0.6689 0.6616 1.0096 1.0858 0.9505 0.9500
PE(34:3) 1.5518 1.7663 1.5604 1.5875 1.5063 1.5276 1.6291 1.8406 1.4096 1.5017 1.6014 1.7545 1.7490 1.5942 1.7909 1.8495 0.4454 0.3753 0.4260 0.3738 0.3499 0.4140 0.3762 0.3873 0.2726 0.2955 0.3481 0.3327 0.4095 0.5377 0.4345 0.4820
PE(36:1) 1.1804 1.1621 1.2097 1.2591 1.2139 1.0842 1.1601 1.0898 1.0920 1.0144 1.1261 1.0909 1.3138 1.1291 1.1958 1.2507 0.8753 0.8437 0.9350 0.8272 0.7839 0.8112 0.8314 0.7849 0.8020 0.7982 0.7802 0.7758 1.0403 0.9190 0.8961 0.9678
PE(36:2) 1.0567 1.0181 1.1049 1.1047 1.0374 1.0592 1.0256 1.0233 1.0582 0.9870 0.9744 1.0383 1.1511 1.0478 1.1613 1.1107 0.9781 0.9749 0.9522 0.9497 0.9299 0.9562 0.9030 0.9427 0.9611 0.9481 0.8767 0.8929 0.9866 1.0064 0.9116 0.9982
PE(36:3) 1.0561 1.0264 1.0648 1.0952 1.0385 1.0343 1.0096 1.0237 0.9546 0.9578 0.9833 0.9849 1.0997 1.0456 1.1447 1.1246 1.0256 1.0012 0.9778 0.9460 0.9346 0.9952 0.9086 0.9384 0.8812 0.9222 0.9198 0.9097 0.9781 1.0673 0.9803 1.0471
PE(36:4) 0.9900 0.9899 1.0265 1.0622 1.0204 0.9827 0.9465 0.9812 0.9337 0.9186 0.9114 0.9723 0.9910 1.0075 1.0408 1.0915 1.0392 1.0326 1.0501 0.9902 0.9374 1.0642 0.9337 0.9711 0.9484 0.9466 1.0272 0.9917 1.0983 1.0646 1.0114 1.0641
PE(38:4) 0.9926 0.9635 1.0397 0.9846 1.0284 0.9585 0.9463 0.9457 0.9789 0.9748 0.9299 0.9703 1.0249 0.9741 0.9430 0.9890 1.0606 1.0716 1.0021 0.9958 0.9695 1.0731 0.9633 0.9591 1.0673 1.1023 1.0049 0.9537 1.1077 1.0540 1.0035 1.0085
PE(38:5) 0.9918 0.9533 1.0016 1.0132 0.9909 0.9799 0.9617 0.9558 1.0309 0.9780 0.9860 1.0111 1.0252 1.0116 0.9840 1.0010 1.0214 1.0768 0.9843 1.0123 1.0148 1.0126 0.9692 0.9773 1.0544 1.0504 1.0387 1.0149 1.0497 0.9339 0.9318 1.0404
PE(38:6) 0.9769 0.9319 1.0072 1.0287 0.9677 0.9769 0.8957 0.9497 0.8193 0.7909 0.7818 0.8055 1.1139 1.0980 1.1645 1.0969 1.0940 1.0976 1.0918 1.0129 1.0186 1.0774 0.9861 0.9901 0.9276 0.9763 0.9183 0.9377 1.1529 1.2341 1.1098 1.0722
PE(40:5) 1.0840 1.0339 1.1458 1.0337 1.1251 1.0550 1.0526 1.0776 1.1203 1.1491 1.0848 1.0717 1.0229 1.0593 0.9718 1.1057 0.9734 0.9456 0.9159 0.9358 0.9008 0.8960 0.9084 0.9066 0.9166 1.0465 0.8712 0.8749 0.9102 0.9756 0.9202 0.8977
Perseitol 0.2235 0.2411 0.1671 0.1768 0.1824 0.1764 0.1951 0.1410 NA NA NA NA 0.1822 0.1725 0.2024 0.1355 1.9203 2.1159 2.0113 1.9177 1.8783 1.6574 2.0517 1.9934 NA NA NA NA 1.9344 1.8042 1.9255 2.0165
[PG (18:0)] 1-octadecanoyl-sn-glycero-3-phospho-(1^-sn-glycerol) 0.7422 1.0781 1.2067 1.1279 0.7858 0.9013 1.0352 1.2502 0.7826 0.8857 1.0234 1.0701 0.9699 0.9017 1.0342 1.0207 NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA
PG(18:4(6Z,9Z,12Z,15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 0.8146 1.1321 1.1375 0.9985 1.0078 1.1211 0.9373 1.1978 0.9576 1.0727 1.0638 0.9172 0.7279 1.1277 0.7680 1.0251 0.7847 0.9961 1.0108 1.0562 0.8700 0.9459 1.0609 0.9860 0.8496 0.9874 0.9716 0.9779 1.0075 0.9546 1.0721 1.0749
PG(34:1) 1.4086 1.8676 1.7588 1.5657 1.4193 1.5714 1.6466 2.0496 1.3393 1.5432 1.5883 1.7753 1.4074 1.6841 1.7612 1.8449 0.4109 0.3807 0.3622 0.3520 0.3501 0.3807 0.3528 0.3422 0.3277 0.3230 0.3648 0.3173 0.4207 0.4035 0.3627 0.4079
PG(36:1) 1.5287 1.7673 1.5351 1.2365 1.4515 1.5341 1.4691 1.7420 1.3963 1.4195 1.3923 1.3902 1.4463 1.6754 1.5029 1.5107 0.5322 0.4992 0.5366 0.5177 0.4806 0.5246 0.4766 0.4515 0.4414 0.4470 0.4330 0.4178 0.5560 0.5859 0.5994 0.5431
PG(36:2) 1.4998 1.9804 2.0132 1.7275 1.5450 1.7663 1.8555 2.1928 1.4642 1.7303 1.8531 1.9725 1.5705 1.9338 1.9316 2.0732 0.2106 0.1989 0.1980 0.2002 0.1929 0.2095 0.1724 0.1910 0.1733 0.1913 0.1520 0.1822 0.2269 0.2001 0.2106 0.2200
PG(36:3) 0.8448 1.1550 1.1770 1.0800 0.8053 1.0328 1.1143 1.3412 0.8217 0.9695 1.1723 1.2093 0.9080 1.0835 1.2826 1.2230 NA 0.0183 NA NA 0.0166 NA NA 0.0155 NA NA NA NA NA 0.0295 NA 0.0140
PG(36:5) 0.7499 1.1672 1.1189 0.8671 0.6159 1.0713 1.0659 1.1889 0.7322 0.9997 1.0548 1.1798 0.7499 1.1151 1.0807 1.1437 NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA
PG(40:5) 0.8603 1.1666 1.1085 0.9100 0.8473 0.9039 1.0256 1.2291 0.9401 0.9824 1.0547 1.1124 0.7775 0.9858 1.0173 1.0271 0.1957 NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA
phe-FMDP 0.7965 0.8824 0.9150 0.9763 0.9069 0.8347 0.8989 0.9111 0.8848 0.8746 0.9251 0.8073 0.9002 0.8844 0.9552 0.9232 1.0773 1.1474 1.1927 1.1288 1.1466 1.1435 1.1646 0.9951 1.2547 1.0579 0.9984 0.9793 1.1596 1.1414 1.0984 0.9374
Phenolsulfonphthalein 1.1327 0.9363 0.9076 1.2055 0.9937 0.9008 0.9940 1.0502 1.1770 0.8683 0.9932 1.4080 1.2894 0.9152 1.1939 1.1822 0.9171 0.9168 0.9796 0.9093 1.0779 0.9061 0.9692 1.1174 1.0109 0.7949 0.8558 1.1991 0.6963 1.0149 0.7844 1.0615
Phenylpropanoate 0.7898 2.9851 0.8186 1.0393 0.8037 0.8779 0.9988 0.8457 0.5452 0.5859 0.5870 0.6071 1.3333 1.1785 1.5346 1.1776 0.9808 0.9029 1.4109 0.7907 0.8089 1.0804 0.9533 0.9272 0.6033 0.5742 0.5372 0.6044 1.1715 1.4280 1.2395 1.1808
Phosphodimethylethanolamine 0.9632 0.9926 1.1534 1.3122 0.9824 0.9787 1.0801 1.3137 0.9964 0.9152 1.0107 1.2538 1.0493 1.0431 1.1334 1.3441 0.0571 NA NA 0.0551 NA NA NA 0.0660 0.0935 NA 0.0724 NA 0.1025 NA 0.0688 0.0781
Phosphonoacetaldehyde 0.6523 0.6230 1.2234 2.6981 0.6410 0.5568 0.7380 1.4969 0.7027 0.6086 0.6783 1.6337 0.6557 0.6405 0.6595 1.5160 0.1615 NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA
[PI(18:0)] 1-octadecanoyl-sn-glycero-3-phospho-(1^-myo-inositol) 1.2479 1.4428 1.4027 1.0730 1.3176 1.2436 1.2922 1.2252 1.1284 1.2100 1.2407 1.0671 1.3564 1.2900 1.3594 1.1099 0.1380 0.2013 0.2494 0.2653 NA 0.1640 0.2827 0.1593 0.1223 NA 0.1048 0.1086 0.2589 0.1710 0.1837 0.1735
PI(32:1) 0.9887 1.1301 1.1240 1.0167 1.0947 1.1178 1.0618 1.1301 0.9640 1.0903 0.9514 0.9097 0.9303 1.1816 1.1157 1.1978 0.9044 1.0277 0.9592 0.8888 0.9605 0.8950 0.9862 0.9447 0.9000 0.8344 0.9259 0.9321 0.8612 0.9266 0.9734 0.8371
PI(36:1) 1.6756 1.8344 1.8454 1.6657 1.7120 1.6676 1.6689 1.8231 1.5784 1.7640 1.5618 1.7887 1.6377 1.8108 1.7190 1.9170 0.3100 0.3059 0.2744 0.2723 0.2748 0.2685 0.3013 0.2824 0.2969 0.3042 0.2833 0.3137 0.2571 0.2713 0.3218 0.2678
PI(36:2) 1.2799 1.5060 1.5070 1.4176 1.3831 1.3426 1.2379 1.5022 1.2723 1.3825 1.4010 1.3719 1.2835 1.4694 1.4739 1.4767 0.6272 0.6283 0.5635 0.6116 0.6215 0.5516 0.7058 0.5950 0.5981 0.5764 0.6024 0.5558 0.5830 0.6308 0.7163 0.6454
PI(36:4) 0.8817 1.0350 0.9965 0.9819 1.0303 0.9580 0.8295 1.0082 0.9219 0.9381 0.7947 0.9476 0.8010 0.9476 0.9115 0.9957 1.0239 1.1491 0.9278 1.0801 1.0223 0.9526 1.0970 1.0405 1.0903 1.2206 1.1238 1.1281 0.8916 0.9186 1.1084 0.9833
PI(38:4) 0.9443 1.0473 1.0343 0.9241 1.0256 0.9594 0.8535 1.0244 0.9363 0.9742 0.9008 0.9858 0.7222 0.9685 0.9055 0.9861 1.0053 1.0555 0.9129 1.0566 1.0110 0.9293 1.1312 1.0345 1.0214 1.0522 1.0815 1.0959 0.9412 0.9152 1.2522 1.0438
PI(38:5) 0.9460 1.0659 1.1889 1.0163 1.2017 0.9419 0.9451 1.1334 1.1011 1.1032 1.1052 1.2184 0.7698 0.8955 0.8268 1.0917 0.9030 1.0291 0.8464 0.9749 0.9789 0.8683 0.9463 0.9801 1.0804 1.1043 1.0692 1.0970 0.7541 0.7908 0.9865 0.7518
PIP(38:4) 0.6565 0.7102 0.6500 0.5850 0.6297 0.7077 0.6333 0.6775 0.5279 0.5314 0.4653 0.4314 0.8562 0.7709 0.5831 0.6673 1.2336 1.4462 1.1756 1.1070 1.1443 1.7939 1.4631 1.4832 0.8863 1.2058 0.9375 0.8938 1.5500 2.1433 1.6871 1.5722
PIPES 1.0452 0.9642 0.9772 1.0401 0.9922 0.9047 1.0445 0.9749 1.0933 1.0779 1.0716 1.0796 1.0405 0.9721 0.9930 0.9102 0.9612 0.9605 1.0110 0.9702 1.0424 1.0163 1.0138 1.0160 1.0938 1.0161 1.0190 1.0540 0.9562 0.9962 0.9327 0.8717
Proclavaminic acid 0.2087 0.3416 0.2759 0.2342 0.2647 0.2483 0.2318 0.2944 0.2796 0.2719 0.2636 0.2289 0.1998 0.3024 0.2764 0.3058 1.4643 1.5453 1.4963 1.6093 1.5481 1.3370 1.6153 1.6391 1.5796 1.5366 1.5096 1.5525 1.5133 1.0148 1.5314 1.6022
Pro-His 1.5433 1.3518 0.3444 0.3234 1.6239 1.4976 1.9661 1.6791 1.7725 3.0727 1.5421 1.2880 1.1928 1.9142 1.5246 1.0525 0.3119 0.2946 0.2519 0.3864 0.2272 0.2349 0.3605 0.3084 0.2845 0.3648 0.2465 0.2233 0.3098 0.2914 0.2608 0.2878
PS(18:0) 1.2499 1.4466 1.3235 1.1885 1.2339 1.1943 1.1159 1.2798 0.9645 0.9665 0.9933 1.0527 1.1306 1.3515 1.3718 1.2263 0.7679 0.7097 0.9215 0.7635 0.6913 0.8375 0.8230 0.7590 0.6886 0.6871 0.6612 0.6809 1.0442 0.9983 0.9579 0.8826
PS(34:1) 1.3302 1.4561 1.3979 1.2746 1.4239 1.3497 1.2591 1.4653 1.3510 1.4130 1.2703 1.3363 1.2514 1.3939 1.2401 1.3331 0.6520 0.7135 0.6089 0.6436 0.6339 0.6202 0.6944 0.6433 0.7077 0.7345 0.7597 0.7463 0.5189 0.5617 0.6331 0.5229
PS(36:1) 1.2723 1.3353 1.3197 1.2983 1.3204 1.2135 1.1639 1.3541 1.1667 1.2133 1.1122 1.2097 1.2381 1.3774 1.2969 1.3806 0.7208 0.7514 0.7081 0.7521 0.6998 0.7052 0.7933 0.7246 0.6954 0.7391 0.7642 0.7219 0.6891 0.7390 0.8580 0.6970
PS(36:2) 1.2818 1.3886 1.3646 1.3794 1.3566 1.2942 1.2243 1.4764 1.2057 1.3113 1.1790 1.3325 1.1966 1.4391 1.4366 1.5079 0.6735 0.7079 0.6326 0.6945 0.6189 0.6414 0.6811 0.6444 0.6500 0.6979 0.7015 0.6962 0.6292 0.6626 0.7632 0.6241
PS(36:3) 1.5265 1.6101 1.6394 1.5825 1.5116 1.5989 1.5614 1.8143 1.4230 1.5107 1.5932 1.7073 1.5460 1.6620 1.7290 1.9205 0.3732 0.4388 0.3642 0.4097 0.3891 0.3833 0.4398 0.3929 0.3935 0.4078 0.4174 0.4187 0.3829 0.3630 0.4134 0.3955
PS(36:4) 1.1463 1.2594 1.1847 1.1883 1.2553 1.2735 1.1080 1.2959 1.1790 1.1186 1.1036 1.1695 1.2089 1.2597 1.3198 1.3552 0.8320 0.8330 0.7168 0.7714 0.7441 0.7838 0.8237 0.8053 0.7812 0.7994 0.8442 0.8705 0.6796 0.8003 0.8252 0.7659
PS(38:4) 0.9594 1.0696 1.0251 0.9722 1.0265 0.9597 0.8729 1.0172 0.8997 0.8913 0.8280 0.9021 0.8449 1.0365 1.0076 1.0136 0.9938 1.0570 0.9698 1.0425 0.9517 0.9773 1.1130 1.0076 0.9606 1.0227 1.0437 1.0618 0.9998 1.1394 1.2059 0.9823
PS(38:5) 1.0022 1.0931 1.0672 1.0115 1.0349 1.0440 0.9590 1.1204 1.0871 1.0629 0.9927 1.0602 0.9249 1.0266 0.9948 1.0896 0.9413 1.0125 0.8645 0.9372 0.9433 0.9167 1.0094 0.9726 0.9794 1.0471 1.0504 1.0854 0.8236 0.8552 1.0017 0.8910
PS(38:6) 1.0462 1.2423 1.0431 1.1010 1.0366 1.1279 1.0239 1.1584 1.0715 1.0038 0.9321 0.9900 1.0928 1.1584 1.1574 1.2163 0.8845 0.9403 0.8901 0.9456 0.8108 0.9191 0.9463 0.8937 0.8120 0.9122 0.8755 0.8144 0.9245 1.1631 1.0174 0.9364
PS(39:4) 0.9515 1.0587 1.0642 1.0234 1.0505 0.9923 0.9130 1.0560 0.7110 0.7486 0.7077 0.7204 1.2375 1.2331 1.2178 1.1712 0.9353 1.0389 0.9957 1.0510 0.9835 1.0305 1.0691 0.9443 0.7993 0.8858 0.7990 0.7131 1.1638 1.5015 1.2272 1.1299
PS(40:5) 0.9761 1.0697 1.0512 0.9624 1.0626 0.9700 0.8887 1.0658 0.9620 0.9324 0.9058 0.9898 0.8407 1.0514 0.9269 1.0083 0.9448 1.0199 0.9453 1.0175 0.9499 0.9743 1.0968 1.0001 0.9661 1.0461 1.0654 1.0433 0.9594 1.0590 1.1414 0.9289
PS(40:8) 0.9653 1.0539 0.9426 0.9737 0.9708 1.0470 0.8588 1.0087 0.9863 0.9630 1.0214 1.0167 0.7541 0.8963 1.0269 0.8949 0.9684 1.1162 0.9810 1.0643 0.9732 1.0695 1.0036 1.0391 1.0474 1.0595 1.2436 1.1564 0.8776 0.8680 1.0508 0.8634
Psychosine 0.5950 0.6278 0.5838 0.5872 0.6191 0.6430 0.5463 0.6084 0.6039 0.4981 0.5013 0.4261 0.6590 0.6597 0.6674 0.6242 1.4103 1.4536 1.3641 1.3233 1.4193 1.2633 1.5438 1.3321 1.3841 1.5777 1.5053 1.3097 1.2693 1.4100 1.4358 1.3379
Pyridoxine phosphate 0.9133 1.1503 0.9481 0.9485 0.8631 1.0319 0.9982 0.8212 0.8568 1.2079 0.9838 0.8212 1.0613 1.0631 0.9958 0.8605 1.0489 1.0988 1.0962 0.9380 1.0682 1.2162 0.9867 1.0014 0.9922 1.2036 0.9509 0.9509 0.9125 1.1401 0.9604 0.9576
Pyruvate 0.7717 0.7713 0.6709 0.7342 0.8519 0.7366 0.8024 0.7343 0.9218 1.0103 0.9588 0.9841 0.5584 0.5273 0.5572 0.5717 1.0183 1.0346 1.0205 1.1652 1.4582 1.2995 1.3433 1.5154 1.5907 1.5341 1.4145 1.6441 0.9114 0.6354 0.7922 1.0281
Quinate 0.7324 0.7704 0.7434 0.8314 0.6416 0.6834 0.7816 0.6572 0.6858 0.8018 0.7835 0.7725 0.6899 0.6578 0.8116 0.6557 1.2588 1.3090 1.5000 1.1681 1.3214 1.3259 1.2415 1.2260 1.3392 1.2651 1.2205 1.2676 1.0954 1.2986 1.1703 1.0983
(R)-2-Hydroxyglutarate 1.3433 1.4058 1.4138 1.5212 1.3002 1.2050 1.4437 1.4345 1.2622 1.4069 1.3914 1.4418 1.3536 1.3461 1.5026 1.4555 0.5177 0.6759 0.5475 0.6118 0.6973 0.6570 0.6202 0.6238 0.7247 0.7556 0.6925 0.6733 0.5982 0.4961 0.5769 0.5626
(R)-3-((R)-3-Hydroxybutanoyloxy)butanoate 0.8222 0.8910 1.1228 0.9494 0.9211 0.8957 0.9377 1.0080 0.8259 0.9475 1.0942 0.9940 0.7695 1.0051 0.6192 0.8733 1.1996 1.0699 0.9486 1.1613 1.0308 1.0194 1.0071 0.9370 1.0661 1.1924 1.1125 1.0610 0.9318 0.8534 1.3572 1.0924
(R,R)-Tartaric acid 0.7480 0.8507 0.9653 0.8191 0.8082 0.8622 0.8691 0.8021 0.6229 0.8706 0.8318 0.6518 0.9053 0.9554 1.0553 0.9464 1.1121 1.2465 1.2615 1.2107 1.0580 1.0952 1.1623 1.0912 0.9261 0.9153 0.8470 0.8530 1.3541 1.4401 1.5306 1.3523
(S)-1-Pyrroline-5-carboxylate 0.4396 0.4882 0.3979 0.2885 0.4321 0.4218 0.4059 0.4016 0.4570 0.5301 0.5319 0.4152 0.4551 0.3235 0.3486 0.3054 1.1933 1.6057 1.1220 1.0291 1.8024 3.4856 1.2496 1.0556 1.4498 1.4194 1.0843 0.9154 1.6889 4.2356 1.4067 1.2420
(S)-2-Amino-3-(3-hydroxy-4-oxo-4H-pyridin-1-yl)propanoate 0.9116 0.9088 0.9431 1.0452 0.9031 0.8829 0.8993 0.9789 1.0233 1.0689 1.0130 1.1261 0.9219 0.8741 0.9511 0.9048 0.9292 0.9893 1.0812 1.0291 1.0360 1.0645 1.0329 1.1133 1.2500 1.1817 1.0899 1.0738 0.9209 1.0139 1.0281 0.9699
S-Adenosyl-L-methionine 1.1787 1.2434 1.4821 2.0080 1.0539 1.0881 1.3679 1.6419 1.1856 1.2708 1.3570 1.6880 1.2942 1.0748 1.3553 1.6679 0.6190 0.6439 0.5584 0.6463 0.6094 0.7288 0.5930 0.6038 0.6572 0.5344 0.6707 0.6650 0.7014 0.8236 0.6872 0.5832
(S)-AMPA 0.9648 0.9871 1.0136 1.0778 0.9265 0.8385 0.9971 0.9964 1.0377 0.9273 1.0342 0.9872 0.9203 0.7822 1.0138 0.8895 0.9601 1.0386 1.0931 1.0218 1.0336 1.0213 0.9967 1.0510 1.1492 0.9759 1.1041 1.1031 1.0581 0.9821 0.9681 1.0166
(S)-Carnitine 0.7993 0.8029 0.7311 0.8171 0.6958 0.7531 0.7321 0.6843 0.6235 0.6836 0.6491 0.6539 0.7786 0.7810 0.9500 0.7764 1.2606 1.2978 1.4814 1.1913 1.2679 1.3415 1.2070 1.1894 1.1906 1.1429 1.0807 1.0595 1.2265 1.4736 1.2434 1.3061
(S)-Dihydroorotate 1.9876 2.0594 1.3469 0.9238 1.9365 1.6231 1.4725 0.9936 1.5806 1.6018 1.4303 0.9547 1.7391 1.8074 1.7778 0.8745 0.4353 0.5466 0.5751 0.5762 0.4664 0.4818 0.5152 0.5051 0.5891 0.5842 0.6644 0.5801 0.3520 0.3358 0.4143 0.4527
Sedoheptulose 0.6819 0.7166 0.7135 0.8058 0.6387 0.7090 0.6917 0.6761 0.4883 0.5217 0.5138 0.5421 0.9921 0.8622 0.9385 0.8445 1.3296 1.3238 1.4030 1.1289 1.2723 1.7997 1.1208 1.1073 0.7587 0.8044 0.7644 0.6908 1.7646 2.7649 1.5359 1.5304
Sinalbin 1.3466 1.4381 1.5712 1.6357 1.2792 1.3574 1.5838 1.7117 1.3608 1.4531 1.6827 1.7613 1.6535 1.4476 1.7585 1.7026 0.5580 0.5221 0.5111 0.5291 0.3803 0.5473 0.5012 0.4747 0.4793 0.5137 0.4670 0.4386 0.5075 0.3302 0.3901 0.5482
(S)-Lactate 1.3428 1.2516 1.5219 2.0150 1.3354 1.1558 1.6350 2.1187 1.3077 1.1514 1.4803 2.0780 1.3614 1.2198 1.8153 2.1496 0.4237 0.4349 0.4537 0.5204 0.4221 0.4164 0.4672 0.5375 0.4109 0.4112 0.4183 0.5178 0.4636 0.3970 0.4773 0.5551
(S)-Malate 1.3137 1.2793 1.2292 1.2408 1.2257 1.1511 1.3346 1.2824 1.2200 1.2972 1.3129 1.2135 1.2135 1.2016 1.3914 1.2114 0.6516 0.8254 0.7245 0.6697 0.7490 0.9322 0.7292 0.6898 0.8076 0.8007 0.7007 0.6571 0.7480 0.9107 0.7889 0.7297
S-Methyl-5-thio-D-ribose 1-phosphate 1.2310 0.8832 0.8671 0.9719 1.3164 0.9041 0.8722 1.0298 1.2690 0.9987 0.9449 1.0213 1.2266 0.8645 0.8660 1.0130 NA NA NA NA NA NA NA NA NA NA NA 0.0484 NA NA NA NA
sn-glycero-3-Phospho-1-inositol 1.5190 1.6392 1.4676 1.2808 1.5154 1.4186 1.5239 1.4478 1.7102 1.6704 1.5412 1.4390 1.4466 1.3741 1.2953 1.2195 0.4980 0.5465 0.5735 0.5395 0.5629 0.5422 0.5486 0.4992 0.6729 0.5544 0.6127 0.5046 0.5075 0.5571 0.4974 0.4611
sn-glycero-3-Phosphoethanolamine 1.0926 1.1800 1.1591 1.2099 1.0400 1.0819 1.1243 1.1589 0.8516 0.9286 0.9376 0.9781 1.1974 1.3497 1.4111 1.3976 0.8898 0.8989 0.9470 0.8876 0.7890 0.8645 0.8786 0.8878 0.7303 0.7181 0.7245 0.6989 1.0152 1.0731 1.0286 1.0411
sn-Glycerol 3-phosphate 0.3275 0.3255 0.3241 0.2830 0.3639 0.3094 0.3428 0.3307 0.4031 0.4160 0.4104 0.3619 0.2145 0.2837 0.2319 0.2417 1.4389 1.6171 1.5046 1.6245 1.7757 1.6458 1.7268 1.8415 2.1151 2.2001 2.1595 2.2938 1.1771 0.7888 1.0884 1.1327
sodium dodecyl sulfate 7.5739 0.6702 0.9104 0.5411 0.8544 0.8702 0.6255 0.6902 1.0916 0.7992 0.6157 0.7022 0.3940 0.7485 0.4190 0.6997 0.7783 0.9823 0.7610 0.6269 0.6314 0.7882 0.6405 0.6516 0.7633 0.7999 0.5508 0.6044 0.6636 0.8955 0.6062 0.7367
[SP (16:0)] N-(hexadecanoyl)-sphing-4-enine 0.9784 0.9774 1.0484 0.9887 1.1066 0.9808 0.8955 1.0733 1.0281 0.9790 0.9703 0.9839 1.0593 1.0251 0.9372 1.1321 0.9619 1.0751 0.9898 0.9822 0.9253 0.9984 0.9943 0.9454 0.9586 1.0493 0.9029 0.8977 1.0500 1.1250 1.0781 0.9527
[SP] Sphing-4-enine-1-phosphate 0.8820 0.7087 0.7166 0.6835 0.8498 0.7701 0.6298 0.6525 0.8563 0.6754 0.6102 0.6994 0.9062 0.6674 0.7154 0.6077 1.4777 1.3139 1.2420 1.1371 1.5111 1.2473 1.1606 1.0857 1.5363 1.3396 1.2930 1.2889 1.2790 1.3064 1.1285 0.9638
[SP] Sphinganine-1-phosphate 1.3180 1.2255 1.1344 1.3293 1.3773 0.9960 1.0063 1.2915 1.4352 1.1237 1.0954 1.3789 0.9899 0.9062 0.9161 1.0018 0.9290 0.8331 0.8478 0.8329 0.9305 0.7447 0.8206 0.7703 1.0802 0.9081 0.9367 1.0071 0.6904 0.5488 0.6788 0.5923
Stealthin C 1.0154 1.1278 1.1502 1.2023 1.0059 1.0322 1.1238 1.1166 1.0441 0.8821 1.1495 1.1591 1.0464 1.0897 1.1791 1.1179 0.8626 0.9237 0.9727 0.9219 0.9663 0.8749 0.8961 0.8833 1.0073 0.9373 0.9222 0.9366 0.8179 0.9263 0.8677 0.8960
Succinate semialdehyde 0.7175 0.7671 0.6994 0.7545 0.5408 0.7049 0.7177 0.6220 0.5911 0.7208 0.6397 0.5704 0.8914 0.7226 0.8185 0.6614 1.2460 1.2510 1.5727 1.2136 1.3114 1.5150 1.2603 1.2060 1.1784 1.1579 1.0119 1.0760 1.4407 1.7210 1.4475 1.3529
Taurine 0.7355 0.7559 0.6813 0.6141 0.7065 0.7419 0.7156 0.6430 0.7058 0.7227 0.6948 0.6415 0.7185 0.7392 0.7508 0.6438 1.2138 1.2599 1.2719 1.2186 1.3337 1.3862 1.2998 1.3158 1.2780 1.1978 1.2345 1.2375 1.3884 1.4543 1.3074 1.3323
Tetracosanoic acid 1.4749 1.0758 1.1750 0.7895 1.0891 0.9630 0.8540 0.9402 0.9847 0.8911 0.7108 0.7830 0.8752 1.0509 0.7993 1.0172 1.1940 0.9619 0.9981 0.8753 1.0232 1.0963 0.9341 1.0718 0.9664 0.9177 0.9340 0.9217 1.0535 1.3129 0.9093 0.8977
Thiourocanic acid 0.9020 0.9186 0.9210 1.1461 0.8268 0.9262 0.9059 0.8987 0.6215 0.5432 0.5540 0.5781 1.4661 1.2750 1.5444 1.2960 1.1153 1.0672 1.3359 1.0793 1.0712 1.0559 0.9861 1.0979 0.7156 0.6425 0.6963 0.6752 1.1964 1.6600 1.3296 1.4212
Thr-Gly 1.8432 1.3760 0.6464 0.3397 1.8671 1.3733 2.3208 2.4451 2.1594 2.2138 2.1957 1.5608 1.5947 1.5522 1.9625 1.4518 0.1088 0.1119 0.0930 0.1388 0.1007 0.1106 0.1197 0.1772 0.1633 0.1016 0.1372 0.1165 0.1293 0.1847 0.0939 0.1706
Trimethylaminoacetone 0.8590 0.9246 0.8542 1.0231 0.8736 0.8557 0.9160 0.8529 0.9529 1.0210 1.0341 0.9625 0.7069 0.7999 0.7803 0.7277 1.0719 1.0698 1.2982 1.0467 1.2332 1.0942 1.1102 1.1066 1.3897 1.3063 1.2875 1.4573 0.7253 0.9029 0.7469 0.7694
UDP 1.6561 2.3679 1.8392 1.8600 1.3568 2.2823 2.1273 1.6984 1.3973 2.3737 2.1016 1.6696 2.0634 2.2883 1.9261 1.3128 0.1546 0.1235 0.1261 0.1378 0.1700 0.1910 0.1189 0.1432 0.1546 0.1556 0.1040 0.1214 0.1286 0.1474 0.1133 0.1488
UDP-glucose 1.1266 1.1491 1.1610 1.2046 1.0929 1.0560 1.1491 1.1258 1.1667 1.2184 1.2282 1.1888 1.0019 1.0306 0.9919 1.0995 0.8252 0.8791 0.8736 0.8657 0.9169 0.9211 0.8659 0.8532 0.9963 1.0250 0.9803 0.9289 0.7751 0.7325 0.7601 0.7536
UDP-glucuronate 0.9151 0.9215 0.9537 0.9430 0.9706 0.8625 0.9511 0.9428 1.0142 1.1714 1.0617 1.0725 0.6568 0.8467 0.7793 0.8279 0.9243 1.0752 0.9848 1.1003 1.1335 1.0795 1.0617 1.1054 1.2713 1.2509 1.1517 1.2686 0.9075 0.7898 0.8458 0.8910
UDP-N-acetyl-D-galactosamine 1.0853 1.1204 1.0977 1.0944 1.0524 0.9996 1.1074 1.0602 1.2888 1.3813 1.3199 1.3197 0.7928 0.8137 0.8087 0.7639 0.8713 0.9262 0.9935 0.9329 1.0255 0.9501 0.8863 0.8955 1.2383 1.2154 1.1695 1.1792 0.6549 0.5657 0.5619 0.5720
Urate 0.1674 0.1489 0.0889 0.0643 0.1080 0.0772 0.0956 0.0636 0.2124 0.1056 0.0888 0.0657 0.2017 0.0919 0.1735 0.0779 1.4197 1.3864 1.0445 0.9467 1.8191 4.4416 1.0001 0.8959 1.8160 0.7706 0.6371 0.7005 1.6992 7.9171 1.0915 1.3114
UTP 1.7033 1.8567 1.9417 2.2637 1.6564 1.9026 2.3084 2.1845 1.7388 2.0315 2.1591 2.3074 1.9211 1.8977 2.1385 2.1244 0.0333 0.0337 0.0360 0.0329 0.0361 0.0403 0.0348 0.0327 0.0414 0.0388 0.0368 0.0398 0.0313 0.0369 0.0302 0.0293
vanillylamine 0.9304 0.9310 1.0915 1.0195 1.1116 1.0573 0.9532 1.0991 1.0453 0.9722 1.1607 1.0485 0.9760 0.9017 0.8201 1.0693 0.9526 0.9367 0.8980 1.0392 0.9642 0.9240 1.0252 1.1192 0.9945 1.1197 0.9689 1.0380 0.7971 0.8249 0.9419 1.0207
Vicine 0.9862 1.0592 1.0202 0.8773 1.0358 0.8890 0.9750 0.9749 1.1382 1.0697 1.1998 1.1826 0.7184 0.9897 0.7931 0.8305 0.9055 0.9788 0.8386 1.0544 1.0266 1.0489 1.0127 1.0664 1.2082 1.0902 1.2192 1.1624 0.8742 0.7794 0.9325 0.9114
Xylobiose 0.9671 0.9074 0.9426 0.9489 0.9719 0.8550 0.9704 0.9532 1.3148 1.3121 1.3506 1.4300 0.3790 0.5693 0.4277 0.5415 0.9271 1.0718 1.0946 1.0722 1.2174 1.0501 1.0995 1.0454 1.5347 1.3325 1.6453 1.5632 0.4630 0.3651 0.4934 0.5192
Run Hierarchial cluster analysis on this study | Run Heatmap cluster analysis on this study

Factors:

F1cell_type:iRBC | treatment:DHA | treatment_duration_(h):-
F2cell_type:iRBC | treatment:DHA | treatment_duration_(h):0.5
F3cell_type:iRBC | treatment:DHA | treatment_duration_(h):1.5
F4cell_type:iRBC | treatment:DHA | treatment_duration_(h):3
F5cell_type:iRBC | treatment:DMSO | treatment_duration_(h):-
F6cell_type:iRBC | treatment:DMSO | treatment_duration_(h):0.5
F7cell_type:iRBC | treatment:DMSO | treatment_duration_(h):1.5
F8cell_type:iRBC | treatment:DMSO | treatment_duration_(h):3
F9cell_type:iRBC | treatment:OZ277 | treatment_duration_(h):-
F10cell_type:iRBC | treatment:OZ277 | treatment_duration_(h):0.5
F11cell_type:iRBC | treatment:OZ277 | treatment_duration_(h):1.5
F12cell_type:iRBC | treatment:OZ277 | treatment_duration_(h):3
F13cell_type:iRBC | treatment:OZ439 | treatment_duration_(h):-
F14cell_type:iRBC | treatment:OZ439 | treatment_duration_(h):0.5
F15cell_type:iRBC | treatment:OZ439 | treatment_duration_(h):1.5
F16cell_type:iRBC | treatment:OZ439 | treatment_duration_(h):3
F17cell_type:unRBC | treatment:DHA | treatment_duration_(h):-
F18cell_type:unRBC | treatment:DHA | treatment_duration_(h):0.5
F19cell_type:unRBC | treatment:DHA | treatment_duration_(h):1.5
F20cell_type:unRBC | treatment:DHA | treatment_duration_(h):3
F21cell_type:unRBC | treatment:DMSO | treatment_duration_(h):-
F22cell_type:unRBC | treatment:DMSO | treatment_duration_(h):0.5
F23cell_type:unRBC | treatment:DMSO | treatment_duration_(h):1.5
F24cell_type:unRBC | treatment:DMSO | treatment_duration_(h):3
F25cell_type:unRBC | treatment:OZ277 | treatment_duration_(h):-
F26cell_type:unRBC | treatment:OZ277 | treatment_duration_(h):0.5
F27cell_type:unRBC | treatment:OZ277 | treatment_duration_(h):1.5
F28cell_type:unRBC | treatment:OZ277 | treatment_duration_(h):3
F29cell_type:unRBC | treatment:OZ439 | treatment_duration_(h):-
F30cell_type:unRBC | treatment:OZ439 | treatment_duration_(h):0.5
F31cell_type:unRBC | treatment:OZ439 | treatment_duration_(h):1.5
F32cell_type:unRBC | treatment:OZ439 | treatment_duration_(h):3
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