Data for Peroxide antimalarial extended treatment timecourse on trophozoite-stage P. falciparum parasites (Study ST001204)

(Analysis AN002005)

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

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MetaboliteF1F2F3F4F5F6F7F8F9F10F11F12F13F14F15F16F17F18F19F20F21F22F23F24F25F26F27F28F29F30F31F32
1,8-Diazacyclotetradecane-2,9-dione 1.0588 1.0420 1.0853 1.1763 0.8701 1.0078 1.0026 1.1162 1.1618 0.8874 0.9539 0.9443 0.9113 0.9320 0.9993 0.8938 0.8733 0.9456 1.0669 0.8449 1.1123 1.2116 0.9206 1.1020 0.8242 1.0014 0.9692 0.9533 0.9326 0.9696 1.0603 1.1695
1-O-Methyl-myo-inositol 0.7644 0.7479 0.9264 0.7037 0.9051 0.6355 0.8235 0.7944 0.7648 0.8863 0.8003 0.7327 0.7490 0.8557 0.6646 0.7672 1.1595 1.3603 1.2590 1.0766 1.1296 1.3453 1.4727 1.0630 1.2070 1.0210 1.2579 1.2431 1.1957 1.1275 1.3486 1.2119
1-thio-beta-D-glucose 1.4076 1.1625 1.1622 1.3589 1.1310 1.4581 2.2244 4.8843 1.3604 1.0672 1.3513 1.5333 1.3232 1.1446 1.3448 1.6423 0.1796 0.1002 0.0749 0.0772 0.1904 0.0891 0.0979 0.0726 0.2106 0.1665 0.0728 NA 0.1566 0.1786 0.0890 0.0629
2,3,4,5-Tetrahydrodipicolinate 1.2938 1.1250 1.1406 1.0013 0.7444 0.9262 0.9371 0.8082 1.2610 1.0905 0.8829 0.8749 0.8675 0.9709 1.0719 0.8988 1.1366 0.9162 1.0294 0.7006 1.0662 1.0365 1.0123 1.1838 1.1841 0.9025 0.9960 0.9156 0.7626 1.2469 1.0573 0.9585
2,3-Dihydro-2,3-dihydroxybenzoate 1.0980 0.9592 0.8892 1.0592 0.8518 1.0001 1.0973 1.1335 1.0117 0.8942 1.0617 0.8387 1.0186 1.0538 0.9008 0.8229 0.7818 0.9339 1.1074 0.9489 1.2497 1.2433 0.9006 1.2647 0.8432 1.1358 0.8885 0.9984 0.7791 0.8357 1.2212 1.1768
2,7-Anhydro-alpha-N-acetylneuraminic acid 0.9596 1.4647 0.8973 1.3708 1.1877 0.4392 1.0887 0.8321 1.5084 1.3901 0.7406 0.4539 0.4560 0.8951 0.4537 1.1312 0.5434 0.5773 0.8496 1.3738 0.8001 0.8328 0.7142 1.3338 0.7564 0.5742 1.4614 1.3245 0.8949 1.7496 1.4020 1.5434
2-isocapryloyl-3R-hydroxymethyl-gamma-butyrolactone 1.1918 0.8648 1.0199 1.1486 0.7702 0.9769 0.8346 1.2627 1.0591 0.9844 0.9995 0.8719 0.8905 0.9300 0.9836 1.0099 0.9064 0.8506 1.1027 1.0982 1.0737 1.1415 1.0455 0.9301 1.0081 0.9786 1.0339 0.8985 0.8348 1.0538 1.0024 1.2429
2-Isopropylmaleate 1.1509 1.0332 0.9421 1.0836 0.8408 0.7521 0.9613 1.1242 1.0248 0.8239 0.9467 1.0022 0.8903 0.9451 1.2829 0.7802 1.1391 0.7751 1.0552 0.7697 1.1041 1.2392 1.0965 1.0846 0.9509 0.8879 0.8405 0.9541 1.1634 0.9903 1.1287 1.2367
2-O-alpha-L-Rhamnopyranosyl-D-glucopyranose 0.3749 0.5121 0.3405 0.3434 0.3388 0.4091 0.3803 0.4163 0.4377 0.3713 0.6049 0.4810 0.2950 0.5447 0.6597 0.4303 1.2954 1.9198 1.7098 1.6630 1.3641 1.3740 1.3255 1.3740 1.0884 1.2751 1.3389 1.3350 1.1452 2.6431 1.5978 1.1897
2-Oxobutanoate 0.8158 0.7836 0.7960 0.7274 0.8140 0.7307 0.7387 0.7322 0.8139 0.7834 0.7626 0.6940 0.8423 0.8084 0.7381 0.6132 1.3336 1.1564 1.2471 1.1258 1.3608 1.2574 1.2071 1.1144 1.3561 1.2886 1.1850 1.1344 1.3029 1.2570 1.1898 1.2102
2-Oxoglutarate 1.1783 0.8754 1.7828 2.1396 1.1905 1.6612 3.0401 4.0489 1.3469 0.9527 2.0233 2.9278 1.3723 1.4012 2.0999 2.5500 0.1501 0.0876 0.0613 0.0459 0.1529 0.0944 0.0539 0.0508 0.1518 0.0850 0.0564 0.0425 0.1776 0.0892 0.0534 0.0564
3-Amino-2-piperidone 0.8695 1.0711 0.8689 1.0924 0.8913 0.9137 1.1857 1.0347 0.8513 0.9921 1.0372 1.0797 1.0941 1.0992 0.9852 1.1315 0.9710 1.0487 1.0247 0.9541 1.0799 0.9507 1.0156 0.9015 0.9902 1.2000 0.8977 0.8980 0.8842 0.9275 1.0561 1.0024
3-deoxy-D-galactose 0.6734 0.5994 0.4425 0.2306 0.5627 0.3811 0.3550 0.1877 0.6278 0.4679 0.4183 0.1732 0.6774 0.4047 0.2675 0.2688 2.1725 1.3629 1.0752 1.0368 2.1311 1.2632 1.1735 1.1130 2.5530 1.2976 1.0869 1.1145 2.1819 1.3791 1.2507 1.1180
3-Hydroxyanthranilate 0.9980 0.7282 1.0619 0.9962 0.5904 1.0522 0.8865 1.1185 0.9280 0.7612 1.1222 0.9245 0.8836 0.9790 0.9652 0.6376 1.0307 1.2018 1.0496 0.7649 0.9562 1.3823 1.0379 1.0486 1.4690 1.0811 1.0005 0.8492 0.8425 1.2872 1.2310 1.1343
3-Methylbutanol 0.8343 1.1032 0.9186 1.0822 0.9373 0.8593 1.0727 1.0751 0.8412 1.0449 1.0633 1.0427 1.1347 1.0978 0.9395 1.0554 1.0605 0.9634 0.9437 0.9069 1.2397 0.9044 1.0655 0.9340 0.9277 1.2353 0.8482 0.9667 0.8580 0.8966 1.1051 1.0424
3-N4-ethenocytosine 0.9374 1.0234 0.7433 0.9215 1.0771 1.0938 1.0885 0.8369 0.9383 1.2392 1.2626 1.0195 1.2989 1.0925 1.1508 0.9924 1.0710 0.8855 0.9434 1.1228 0.7670 1.0738 0.8234 0.9714 0.8197 1.1155 0.9911 1.1674 1.0288 0.8890 0.8193 0.7948
3-Oxododecanoic acid 0.6869 1.2965 0.6446 0.6727 1.1095 0.8600 1.1223 0.9598 0.6346 0.7337 0.2841 0.4792 1.1111 1.0349 0.5147 0.8404 0.9259 1.4103 1.3749 1.1309 1.2393 1.2332 1.0976 1.1997 1.5936 1.4956 1.3061 1.2162 0.6511 1.1795 1.0073 0.9539
3-Phospho-D-glyceroyl phosphate 0.8165 0.9058 1.1689 0.7997 0.6457 0.8624 0.9735 0.6308 0.7563 0.8918 1.1569 1.0605 1.0038 1.0075 1.1604 1.1908 0.4811 0.7315 2.3426 1.3757 0.3937 0.9390 0.9116 1.9995 0.7350 0.8157 1.1355 1.4031 0.6124 0.7028 1.0105 1.3791
4-Amino-4-deoxychorismate 0.8775 0.8400 1.0009 0.7864 0.7888 0.6904 0.7142 0.7856 0.8327 0.9168 0.8213 0.9748 0.8875 0.8327 0.9335 0.9107 1.1593 1.3261 1.5560 1.0598 0.9965 1.0520 1.0241 1.1232 1.7423 1.0629 0.9143 1.0036 1.2349 1.0271 1.2139 0.9104
4-Hydroxy-3-nitrosobenzamide 0.9959 1.0287 1.0536 1.1028 0.9269 0.9791 0.9901 1.1526 1.0676 0.9212 0.9847 0.9957 0.9750 0.9980 1.0062 0.9446 0.9298 0.9936 0.9622 0.9401 1.1237 1.0235 1.0097 1.0258 0.9461 0.9548 0.9472 0.9808 0.9575 1.0116 1.0454 1.0252
4-Hydroxybutanoic acid 0.9277 1.0077 1.1043 1.0596 0.9584 1.0097 1.0343 1.1026 1.0560 0.8799 1.0214 1.0317 0.9520 0.9901 1.0489 0.9974 0.9613 0.9529 1.0428 0.9168 1.0839 1.0746 0.9598 1.0140 0.8948 0.9911 0.9785 0.9920 0.9410 0.9075 1.1165 0.9909
4-Hydroxyphenylacetate 1.0149 1.0083 1.0926 0.9969 0.9003 1.0251 1.0009 1.0559 1.0397 0.9129 0.9828 1.0070 0.9604 0.9827 1.0750 1.0215 0.9914 0.9556 1.0249 1.0048 1.0003 1.0898 1.0289 1.0165 0.9652 0.9270 0.9992 0.9353 0.9050 1.0851 0.9670 1.0271
4-Hydroxyphenylacetylglycine 1.0402 0.9818 0.9919 0.9714 0.6351 0.8347 0.9209 0.8833 0.9108 0.8800 0.9501 1.0229 0.8489 0.9873 0.9414 0.8855 1.0210 1.0946 1.2782 0.8630 1.0592 1.3525 0.9936 0.9785 1.3089 1.0729 1.0108 0.9668 1.0273 1.0355 0.9750 1.2762
4-Methyl-2-oxopentanoate 1.0285 0.9823 1.0239 1.0320 1.0598 0.9414 1.0314 0.9501 0.9581 1.0097 0.9428 0.9676 1.0615 1.0247 0.9591 1.0681 1.0744 0.9898 1.0066 0.9234 0.9904 1.0256 1.0145 0.9816 1.0040 1.0839 0.9753 0.9756 1.0153 0.8868 0.9870 1.0250
4-Pyridoxolactone 1.0588 0.8532 1.0437 1.0443 1.0215 1.0829 1.0019 1.1532 0.7918 1.0327 1.0614 0.8516 0.7933 1.0564 0.8127 0.9903 1.0284 0.9002 1.0530 1.0263 0.9998 1.0492 1.0258 1.0772 1.0274 1.1209 1.0060 0.9657 1.0152 1.0332 1.0985 1.0493
5^-Dehydroadenosine 0.3074 0.2417 0.3518 0.3117 0.3379 0.1978 0.2944 0.4407 0.1758 0.2990 0.2436 0.3024 0.2910 0.1509 0.3218 0.3601 1.6386 1.0969 1.3512 1.9802 1.2867 1.1985 1.5541 1.7460 1.6966 0.9414 1.1918 1.3862 1.3180 1.2966 1.9540 2.2846
5-exo-Hydroxy-1,2-campholide 0.7769 0.9890 1.1436 1.3637 1.1439 0.8949 0.9408 1.3604 1.6338 0.8059 1.0171 0.9111 0.9836 0.7001 0.8767 0.7832 0.8527 0.7249 0.5923 0.7638 0.6103 1.3308 1.0970 0.7370 1.3267 1.2516 1.2937 1.3932 0.5872 1.4357 0.8818 0.7965
5-Hydroxypentanoate 0.9832 0.9590 1.0002 1.0652 0.8414 0.8427 1.1400 1.1569 1.0370 0.8542 0.9528 0.9399 0.9618 1.0451 0.9263 0.8344 0.9636 1.0046 1.0575 0.8560 0.9825 1.1839 1.0157 1.1883 0.9541 0.9673 0.9604 1.0416 1.0177 1.0185 1.1486 1.0993
6-Acetamido-2-oxohexanoate 0.9928 1.1074 1.0393 1.1815 1.0596 0.9135 1.0570 1.3885 1.0371 0.8129 1.0233 1.2044 0.8713 1.0555 1.1949 0.9798 0.9574 1.0343 0.7980 0.9414 0.9359 1.2141 0.9852 0.9626 0.8890 0.8532 1.0316 0.8101 0.8713 0.9004 0.8372 1.0594
6-Phospho-D-gluconate 0.8290 0.8164 0.9984 0.7754 0.7837 0.9299 1.0162 0.8896 0.7459 0.8675 1.0653 0.9072 1.0550 0.9499 1.0060 0.9982 0.8078 0.9102 1.7733 1.0866 0.7415 1.2293 0.9497 1.5264 1.1418 0.9459 1.0523 1.1050 1.0251 0.8784 1.0346 1.1584
8-Amino-7-oxononanoate 1.2718 0.7134 0.7809 1.1200 1.0078 0.9501 1.3535 0.9618 1.1362 0.8073 1.2716 0.7626 0.8353 1.2303 0.7876 0.7916 1.0065 0.9450 1.3648 1.0168 1.0508 1.1549 0.8782 0.6901 1.0290 1.1236 0.9952 0.7104 0.8735 1.1561 0.8784 1.3450
9,10-dibromo-stearic acid 0.6781 0.6797 0.6559 0.6759 0.6140 0.6412 0.6847 0.7228 0.6684 0.6366 0.6845 0.7040 0.6107 0.6364 0.6594 0.6538 1.2319 1.3265 1.2851 1.4710 1.1531 0.9964 1.1875 1.3154 1.1836 1.2730 1.4496 1.6668 1.2530 1.4174 1.8392 1.3444
9-Oxononanoic acid 1.1508 1.0175 1.0388 1.0006 0.9685 0.9479 0.9414 0.9929 1.0927 0.9855 1.0898 1.0130 1.1579 1.0213 0.9801 0.9664 1.1563 0.9753 0.7720 1.0068 0.9556 0.9076 0.9346 1.0417 1.3751 0.8789 0.8415 0.9252 0.9822 0.8865 1.0461 0.9494
Acetylcholine 0.8148 0.9472 0.9531 0.8672 0.7608 0.8247 0.8158 0.9244 0.8553 0.8471 0.9511 0.8984 0.8186 0.8917 0.8677 0.8666 1.0339 1.1764 1.0289 1.1120 1.0680 1.0521 1.1480 1.2187 1.1404 1.1754 1.1131 1.1834 1.0489 1.1708 1.1523 1.2734
Acetyl phosphate 0.6600 0.7233 0.6430 0.8217 0.5915 0.7180 0.6146 0.5963 0.7069 0.6289 0.6615 0.7692 0.6344 0.7261 0.7441 0.6121 1.5034 1.3180 1.3063 1.3210 1.3599 1.1774 1.1626 1.3574 1.5642 1.0873 1.2820 1.2888 1.4738 1.2491 1.3217 1.3754
a Cysteine adduct 0.8247 0.7969 0.8566 0.7847 0.7431 0.8515 0.8306 0.8271 0.7627 0.7515 0.8335 0.7692 0.8678 0.8161 0.8555 0.7635 1.0892 1.0649 1.2198 1.1904 1.1486 1.2998 1.1604 1.2448 1.2907 1.1571 1.1573 1.2167 1.1215 1.2168 1.2346 1.2522
Ala-Ala-Asp-Pro 0.9729 1.0033 1.0296 1.0179 0.9748 0.9960 0.9955 1.0282 1.0222 0.9858 0.9553 1.0067 0.9879 1.0084 1.0223 0.9757 0.9926 0.9885 0.9911 0.9811 1.0430 1.0178 1.0271 0.9934 0.9576 0.9977 1.0106 1.0129 0.9527 0.9811 1.0480 1.0224
Ala-Asn-Gln-Gln 1.2565 1.3161 1.2759 1.3857 1.2234 0.8985 1.1316 1.3501 1.2598 0.9992 1.4620 1.2433 1.3459 1.3392 1.2692 1.2974 0.6478 0.8200 0.7210 0.7060 0.9091 0.7352 0.6952 0.8471 1.0100 0.7029 0.6236 0.6332 0.6600 0.7412 0.8047 0.6894
Ala-Asp-Gly-Pro 1.0501 1.0288 1.0998 1.1059 0.8517 0.9301 1.0805 1.1655 1.0509 0.8977 1.0981 0.9894 0.9130 1.0383 1.1025 0.8316 0.9253 1.0085 0.9417 0.8676 1.0312 1.1128 0.9831 0.9890 0.8906 1.0076 0.9916 0.9796 0.8821 1.0385 1.0303 1.0867
Ala-Cys-Pro-Ser 0.6775 0.6975 0.8679 0.8697 0.9008 0.9042 1.0118 1.3267 0.7130 0.6431 0.8630 0.9156 0.8700 0.8934 0.7886 0.9635 0.6969 0.8423 1.4382 1.6822 0.8355 1.0141 1.0397 1.6725 0.8944 0.9547 1.1671 1.4459 0.9596 0.6684 1.2219 1.5602
Ala-Phe-Tyr-Tyr 0.7612 0.8787 0.9270 0.8421 0.8901 0.7657 0.7037 0.7968 0.7675 0.8437 0.8052 0.8187 0.7228 0.8804 0.8477 0.8445 1.1408 1.3360 1.2701 1.0436 1.1937 1.1987 1.2443 1.1671 1.2083 1.1241 1.0749 1.1794 1.2535 1.1590 1.2499 1.0610
Ala-Ser 1.7630 0.4659 0.4744 0.5398 1.8876 2.4609 2.9281 3.8302 1.8316 0.8275 0.7719 0.7066 1.7636 1.2014 1.0123 0.9930 0.4962 0.5401 0.5217 0.6229 0.5143 0.5276 0.5121 0.4815 0.5402 0.4757 0.5335 0.5754 0.4639 0.6185 0.5543 0.5645
Albendazole sulfone 0.5351 0.6086 0.5338 0.5556 0.5233 0.5228 0.5037 0.5343 0.5406 0.5246 0.5687 0.5123 0.4523 0.5908 0.5073 0.5573 0.8949 1.3940 1.6192 2.0501 0.9124 1.2624 1.5431 2.2136 1.0834 1.1459 1.5947 1.9677 0.8646 1.1418 1.7993 1.9416
alpha-Irone 0.9001 0.8906 1.1969 1.2440 0.9382 0.8232 0.9542 1.3119 0.9242 0.8187 1.0251 1.2263 0.8739 0.9013 1.0556 0.9772 0.8688 0.9067 0.9952 1.2039 0.8936 0.9034 1.0229 1.1388 1.0137 0.7996 1.0018 1.0875 0.8658 0.8844 1.0864 1.2661
AMP 0.6225 0.5464 0.5227 0.4650 0.5854 0.5567 0.4739 0.4108 0.6163 0.5203 0.5484 0.4486 0.6661 0.5645 0.4870 0.4413 1.1960 1.4225 2.4084 1.3880 1.0116 1.6240 1.2062 1.8876 1.5929 1.4370 1.4338 1.4552 1.3108 1.3691 1.3579 1.4230
ancymidol 1.0857 0.8773 1.3685 0.9064 0.8861 0.8772 1.0364 0.7975 1.0657 0.9643 0.9873 0.9733 0.8764 0.8027 0.9695 0.9543 1.0930 1.1235 1.1183 0.7765 0.9544 1.2105 0.9800 1.1388 0.8959 0.9438 0.9916 0.9736 1.0143 1.0201 1.1233 1.2138
Angustine 0.5939 0.6815 0.7147 0.6774 0.7848 0.6951 0.6908 0.6474 0.6883 0.7035 0.7518 0.6079 0.8911 0.7646 0.7576 0.6237 0.9568 1.1265 1.1348 1.1572 1.2476 1.4607 1.6733 1.6206 1.1061 1.0175 1.3074 1.3458 1.1954 1.4437 1.4786 1.4541
Anthranilate 0.9776 1.0668 1.0732 0.9691 0.9013 0.9381 0.9241 0.7583 0.9949 1.0141 1.0009 0.9450 0.9377 0.9784 0.9629 0.9290 1.1228 1.0316 1.0216 0.9679 0.9861 1.0297 1.1199 0.9913 1.2725 0.8328 1.0086 0.9847 1.0074 1.1517 1.0614 1.0386
Apiole 0.9489 1.0321 1.1283 1.3023 1.0454 0.8967 0.9310 0.9813 1.0002 1.0305 0.8803 1.0421 0.9569 0.9053 0.9264 0.9506 0.9025 1.0228 1.1578 0.9261 1.1095 1.0496 1.0521 1.2660 0.8510 0.9440 1.0802 0.6921 0.9695 0.9875 1.0311 1.0000
Arg-Lys-Asp-Asp 0.7235 1.0233 1.3022 1.0523 0.9268 1.0304 1.1245 0.8385 1.1421 0.8030 1.0323 0.9605 0.8548 0.7994 0.9905 0.9407 0.8808 1.0734 1.1390 1.0568 0.8278 1.0544 1.0494 0.9481 0.9854 0.8258 1.0565 1.0021 1.0441 1.0872 1.2402 1.1843
Arg-Trp-Asp-Cys 0.9270 1.0661 0.9211 1.0186 0.9301 1.1249 1.0741 1.1493 0.8748 0.9851 1.0913 0.9211 0.8353 1.0612 0.8392 1.0490 0.6703 0.9685 1.1147 1.3686 0.6992 0.8554 1.1492 1.2780 0.6779 0.9555 1.1689 1.1871 0.6888 0.9042 1.1766 1.2691
Asp-Asp 1.0055 0.8023 0.8203 0.8085 0.9110 1.2733 1.4098 1.7422 0.9741 0.9274 0.8913 0.8535 1.0913 1.1165 0.9503 0.8870 0.8415 0.9340 1.0397 0.9680 0.8362 1.0481 0.9909 1.0814 1.0205 0.9358 0.9154 0.9855 0.8613 1.0455 1.0098 1.0216
Asp-Gly 1.9161 0.7306 0.6585 0.5963 1.7229 2.1999 2.6165 3.7153 1.8326 1.0289 1.1363 1.0535 1.7738 1.3532 1.2663 1.2202 0.4012 0.4427 0.4087 0.4489 0.3815 0.4927 0.4767 0.5468 0.3832 0.4589 0.4707 0.4727 0.3661 0.4090 0.5138 0.5056
Asp-Ser 0.9747 0.8119 0.8445 0.8148 1.0102 1.3603 1.4897 1.6293 1.0745 0.8582 0.9303 0.8735 1.0052 1.0905 0.9312 0.9393 0.9152 0.9983 1.0231 0.9793 0.8983 0.9714 0.9608 1.0729 0.9747 0.8902 0.8849 0.9371 0.8945 0.9889 0.9767 0.9955
Asp-Trp-Gly-Gly 0.5729 0.6539 0.6450 0.5722 0.6517 0.6616 0.6154 0.7234 0.5610 0.5622 0.6512 0.5839 0.6736 0.6249 0.6321 0.7102 1.0511 1.2367 1.3218 1.5714 1.3624 1.4365 1.4441 1.7318 1.2959 1.1916 1.3167 1.4443 1.2968 1.2553 1.4244 1.5242
Asp-Val-Gly-Pro 0.9624 1.0247 1.0137 1.0087 1.0047 0.9758 0.9680 1.0156 0.9757 0.9993 1.0287 0.9913 0.9979 0.9903 1.0102 0.9842 1.0201 0.9989 1.0201 0.9982 1.0040 0.9919 1.0481 1.0098 0.9726 0.9972 1.0132 0.9840 0.9583 0.9947 1.0147 1.0230
Barbiturate 1.5680 1.0813 0.9741 1.0450 1.3579 1.1489 1.0443 1.1515 0.6770 1.2945 0.6111 0.7713 0.5393 1.0598 0.9522 1.5791 0.9319 0.7830 0.9092 0.8250 0.8379 0.8741 1.0836 0.6167 1.1426 1.0440 0.9551 1.0063 1.0530 0.7016 1.1634 0.6308
Bendiocarb 1.1042 1.0320 1.0009 0.9577 0.8464 0.8878 0.9026 0.9603 0.9435 0.9292 0.8900 1.0903 1.2082 0.9007 1.1612 1.0767 0.8131 0.9262 0.9752 0.9507 1.1586 1.1325 0.9894 1.0958 1.0214 0.9953 1.0325 0.9096 1.0244 1.0581 0.9819 1.0438
Benzoate 0.9866 0.9719 1.0637 0.9896 0.9420 0.9786 0.9422 1.0385 1.0438 0.9410 1.0590 0.9646 0.9889 1.0077 1.0187 0.9430 0.9337 1.0526 0.9483 1.0181 1.0605 0.9721 1.0701 1.0194 1.0230 0.9899 1.0499 0.9790 0.9505 1.0436 1.0059 1.0039
Bergaptol 1.2293 0.9634 0.8312 0.8042 1.1680 1.2103 1.3349 1.0100 1.0147 1.0513 0.8773 0.7929 1.0083 1.0984 0.9004 0.9976 1.0979 1.0631 0.9315 1.0761 0.7946 0.8759 0.9010 0.7698 1.1091 1.0312 1.0397 1.1270 1.1395 0.9170 0.8644 0.9701
beta-Citryl-L-glutamic acid 0.5544 0.5035 0.5756 0.4436 0.4894 0.5432 0.6132 0.4556 0.4966 0.5071 0.5914 0.5656 0.6228 0.5656 0.5940 0.5616 1.0437 1.2134 2.1973 1.5101 1.0496 1.7206 1.3107 2.0415 1.3869 1.3612 1.4614 1.5365 1.1318 1.4079 1.4173 1.5270
Butanoic acid 0.9765 0.8956 1.0895 1.1231 1.0802 1.0299 0.9671 1.0959 1.1044 0.8538 0.9501 0.9351 0.9170 0.9622 0.9964 1.0820 0.9720 1.0145 1.0754 0.9689 0.9510 1.0631 1.0277 1.0639 0.9293 1.0294 0.9753 0.8836 1.0121 0.9827 1.0746 0.9177
CDP-choline 1.0154 1.1987 1.5783 2.0226 1.0866 1.2128 1.4907 1.5277 1.0928 1.1506 1.3977 1.6223 1.1552 1.2217 1.3241 1.5863 0.6251 0.6427 0.6613 0.6481 0.6427 0.6900 0.6697 0.6854 0.5610 0.6073 0.6119 0.6510 0.6242 0.6119 0.6927 0.6915
CDP-ethanolamine 0.8308 2.0993 2.7595 2.7976 0.8526 1.2070 1.3517 1.4464 0.8708 1.4575 2.3524 2.7579 0.8845 1.4776 2.1916 2.5525 0.2503 0.2597 0.2322 0.2563 0.2536 0.2658 0.2512 0.2654 0.2551 0.2523 0.2586 0.2532 0.2593 0.2732 0.2581 0.2661
chelidamate 0.9597 1.0408 1.0314 1.1140 0.8740 0.8776 1.0120 1.1313 1.1568 1.0008 1.0171 0.9895 1.0410 1.0092 0.9663 1.0079 0.7848 1.0229 0.9720 0.9800 0.9877 0.9612 1.0393 0.9426 0.9203 1.0279 0.9095 0.9463 1.1771 1.0844 1.0253 0.9891
Cholate 1.0792 0.8523 0.9833 0.9783 1.1123 0.9593 1.1536 1.5777 0.9116 0.9711 1.2935 0.9509 1.5556 0.9814 1.2086 0.8888 0.8366 1.1641 0.7784 0.8240 1.1561 0.8450 0.8082 0.7115 1.2597 0.7989 0.7723 0.9538 1.0431 0.8978 0.8653 0.8275
Cholesterolsulfate 0.9845 0.9135 0.8920 0.8643 0.6968 0.8161 0.9097 0.8439 0.9530 0.8501 0.8781 0.9979 0.8341 0.7486 0.9343 0.8175 1.2433 1.1231 0.9671 1.0907 1.0120 1.0878 1.2322 1.4597 0.8375 0.9889 1.1048 0.8902 1.0195 1.2556 1.3469 1.4062
Choline phosphate 0.8209 1.0160 1.1364 1.0903 0.8166 0.8576 0.8493 0.9020 0.8606 0.9089 1.0108 0.7435 0.8370 0.9265 1.0635 1.1047 0.9538 0.9667 1.0182 0.9658 1.0871 1.0328 1.0688 1.2583 1.4699 0.9599 0.9905 1.0162 0.9642 1.1581 1.1012 1.0436
cis-Aconitate 0.7724 0.6249 0.5273 0.5195 0.7782 0.5386 0.5073 0.5302 0.7730 0.5379 0.6648 0.4274 0.8076 0.5980 0.6109 0.4474 1.8079 1.6881 1.2369 0.9352 1.9069 1.8278 1.0677 0.8983 2.0152 1.5922 0.9981 0.9125 1.6210 1.6221 1.2201 0.9846
Clavulanic acid 1.2242 1.3154 1.5259 1.1760 0.8914 1.0981 0.8577 0.9318 1.2281 1.3948 0.9594 1.3372 0.8272 0.8583 1.0093 0.9141 1.0428 0.9295 0.7784 0.9635 0.9757 0.8273 0.9516 0.6756 0.8333 1.0317 0.7073 0.9545 0.8791 0.6708 0.9814 1.2486
Crotanecine 1.0329 1.0863 1.1879 1.0487 0.8876 0.8781 0.9088 0.9354 1.0001 0.8405 1.0505 1.0259 0.8132 1.0135 1.0295 0.8771 0.8366 0.9271 1.0072 1.0051 1.1271 1.3275 0.9959 1.0712 0.8328 0.8351 1.0686 1.1509 0.8600 1.0421 1.2710 1.0258
Cys-Gly 0.7658 0.6852 0.7146 0.9033 0.8157 0.7980 0.8431 0.9047 0.7547 0.7558 0.8565 0.8508 0.7429 0.8181 0.8299 0.8430 1.0181 1.0790 1.2089 1.3205 1.1724 1.2930 1.0909 1.4699 1.3465 1.1236 1.1525 1.1425 1.1666 1.0754 1.2470 1.2110
Cys-Gly-Pro-Ser 0.7621 0.6017 0.6966 0.7476 0.7969 0.8090 0.9346 1.3073 0.6978 0.6475 0.8922 0.8664 0.8110 0.8359 0.8036 0.8282 0.7614 1.0215 1.0940 1.5657 1.3491 1.1773 1.3525 2.1932 0.8819 0.9120 1.3600 1.4571 1.5106 0.8657 1.0478 1.2137
Cytosine 1.0019 0.8130 1.1366 1.1620 0.9549 1.0129 0.9572 1.2235 1.1573 0.9510 1.0263 1.0554 0.8733 0.9192 0.9255 1.0486 1.0576 1.1454 1.2029 0.8558 0.9944 0.9391 0.9197 0.9639 0.7725 0.8844 1.0266 0.9183 0.9533 1.1061 1.1125 0.9287
D-Arabinonate 0.7541 0.7018 0.6955 0.7151 0.7107 0.7193 0.6967 0.8762 0.6443 0.7055 0.7600 0.7168 0.6639 0.7441 0.6505 0.7240 1.0650 1.5364 1.2950 1.2840 1.1547 1.8636 1.1509 1.2849 1.5042 1.1851 1.3021 1.2655 0.9500 1.1491 1.2529 1.2781
Decanoic acid 1.1057 0.9436 1.1094 1.1328 0.9002 0.8817 0.9175 1.0789 1.2198 0.8014 0.9443 0.9428 1.0747 0.7579 1.0683 0.8653 0.9425 0.9283 0.8255 0.9259 1.0541 1.0702 1.0120 1.0732 1.3227 0.8431 0.9455 0.9557 0.8808 1.2338 1.1460 0.9696
Deoxycytidine 0.5497 0.6210 0.7043 0.5996 1.0249 1.0214 0.5914 0.6064 0.6267 0.7499 1.3586 1.0713 0.5841 1.2998 0.6982 0.6214 0.8136 1.0190 1.3863 0.6755 0.6926 2.0428 1.5297 1.4159 0.8140 1.2163 0.6050 0.6478 1.5300 0.9064 1.3776 2.5988
D-Erythrose 0.6125 0.5249 0.5369 0.7482 0.5271 0.5669 0.6366 0.5468 0.6201 0.4889 0.5181 0.6363 0.7768 0.5763 0.5328 0.5260 1.4345 1.3816 1.3492 1.3710 1.4959 1.2507 1.3929 1.5185 1.8522 1.2925 1.2837 1.3908 1.4009 1.3474 1.4054 1.4575
D-Erythrose 4-phosphate 0.3647 0.4412 0.6950 0.3655 0.3122 0.4005 0.4898 0.3588 0.3056 0.4571 0.5597 0.4417 0.4253 0.4636 0.4722 0.4887 1.3143 1.4054 2.4955 1.7152 1.1865 1.3493 1.3186 2.0476 1.9178 1.2237 1.7083 1.7208 1.2793 1.1295 1.5508 1.5957
dGDP 0.7787 0.6553 0.7460 0.5731 0.7354 0.7000 0.7954 0.6599 0.6023 0.8170 0.7866 0.6946 0.8015 0.7790 0.7522 0.8033 1.0588 0.9731 2.9907 1.1382 0.9507 1.2137 0.9347 1.5140 1.5853 1.1334 1.1988 1.0856 1.4872 0.9216 1.0868 1.0471
D-Glucose 0.8331 0.7465 0.7225 0.8445 0.6315 0.6724 0.7601 0.8144 0.9582 0.7866 0.6424 0.7445 0.6559 0.7771 0.6670 0.9435 1.0293 1.4512 1.1705 1.4304 1.1027 1.0618 1.0828 1.7346 1.1256 0.9263 1.0133 1.2770 1.0907 1.4089 1.9123 0.9822
D-Glucuronate 0.9264 0.8938 1.0870 1.0094 0.7972 0.9008 0.8999 1.0095 0.9265 1.0199 1.0852 0.9668 1.0122 0.9268 1.1029 0.9505 1.2042 0.9505 1.0529 0.8634 1.0724 1.0647 1.0450 1.1787 1.4825 0.8965 0.8806 0.8076 0.9822 0.9472 1.1007 0.9563
Diclobutrazol 0.6615 0.8545 0.8661 0.9423 0.7495 0.8406 0.7838 0.9614 0.8194 0.7549 0.7831 0.6778 0.6775 0.7073 0.7286 0.7738 1.0378 1.2982 1.2472 1.3253 0.9882 1.2890 1.3637 1.3063 0.9861 0.8728 1.2885 1.4910 0.9298 1.2369 1.5069 1.2503
Dicyclohexylamine 0.7611 1.2774 0.9600 1.1724 0.6885 1.0224 1.0476 1.2356 0.6982 0.9138 1.1209 1.1388 0.6636 1.3167 0.8982 1.1738 0.8933 0.9345 0.9545 1.1475 0.6332 0.8464 1.2936 1.3174 1.0794 0.7442 0.9530 1.3886 0.7285 0.9149 1.0106 1.0716
Digitalin 0.7387 0.5616 0.3918 0.3131 0.6945 0.6662 0.7022 0.6056 0.6649 0.5009 0.3127 0.4023 0.7599 0.5864 0.4025 0.4502 1.3962 1.6378 1.4969 1.2096 1.3048 1.5729 1.4379 1.7588 1.6604 1.4154 1.2800 1.2981 1.4941 1.5270 1.4881 1.2686
Dihydrogenphosphate 0.3604 1.4840 1.9903 2.1171 0.3794 0.7200 0.7557 0.7099 0.4260 1.1004 1.8406 2.4016 0.4107 1.1396 1.7504 1.9946 NA 0.1633 0.1478 0.2865 0.1820 0.1803 0.1616 0.1799 0.1909 0.1634 NA 0.1523 0.1161 NA 0.1355 0.1982
dimethylthiophosphate 1.3308 0.8988 1.3651 0.8926 0.8948 0.8693 1.1943 1.3229 1.4440 1.1312 0.9790 1.2832 1.3201 0.7650 1.3589 0.9194 0.8619 0.8960 0.9930 1.0098 0.9665 0.8598 0.8242 0.8089 0.9370 0.7734 0.9147 0.7232 0.7622 0.8793 0.9604 0.8603
Dinoseb 1.0055 0.9836 0.9418 1.0621 0.8486 0.9297 0.9664 0.9809 1.1032 1.0777 0.8760 1.0534 0.9827 0.9472 0.9720 0.9511 0.8687 0.9790 1.0475 0.9841 0.9753 1.2006 1.0662 1.0783 1.0053 0.9778 1.0007 0.9747 1.0211 1.0503 1.0100 1.0787
D-myo-Inositol 1,2-cyclic phosphate 1.4398 1.6582 1.8972 2.4459 1.3473 1.4788 1.5212 1.5460 1.4402 1.4920 1.6928 2.0139 1.3871 1.5099 1.5402 1.7128 0.3410 0.3548 0.3679 0.3733 0.3390 0.3774 0.3727 0.3973 0.4084 0.3536 0.3466 0.3651 0.3240 0.3740 0.4001 0.3814
Dodecanoic acid 1.1714 1.0774 1.1228 1.0103 1.4337 0.9819 1.0263 1.2604 1.2331 0.9158 1.1805 0.9113 1.0337 1.1083 1.0573 1.0742 0.6429 0.9456 0.7532 0.8107 1.2262 0.8821 1.0535 0.8848 0.9345 0.7007 1.0152 0.6446 0.9235 0.9970 1.0937 0.8932
Dopamine 1.0445 1.1501 1.2749 1.1286 0.9000 0.9719 0.9755 0.9247 1.1131 1.0166 1.0494 1.0763 1.1060 1.0260 1.0737 0.9442 1.0376 0.9770 0.8997 0.8625 0.9084 0.9445 1.0202 0.8265 1.2406 0.9396 0.9060 0.8466 0.9101 1.0235 0.9982 0.8837
D-Ribose 0.5350 0.6094 0.6369 0.6574 0.7632 0.5568 0.5854 0.5335 0.6675 0.6178 0.6451 0.5259 0.7752 0.6388 0.7065 0.5442 1.2808 1.1479 1.2163 0.9975 1.6003 1.5808 1.7709 1.5827 1.6066 1.1346 1.2518 1.2224 1.4408 1.3471 1.5485 1.2722
D-Ribose 1,5-bisphosphate 0.2289 0.2343 0.2355 0.1806 0.1822 0.2293 0.2512 0.1776 0.2167 0.2129 0.2364 0.1876 0.2351 0.2240 0.2427 0.2132 1.3870 1.4942 2.8644 1.8128 1.2967 1.8052 1.5710 2.4768 1.9190 1.5211 1.8263 1.8889 1.5808 1.4749 1.7018 1.8908
D-Sedoheptulose 1,7-bisphosphate 0.1069 0.1476 0.1221 0.0528 0.0987 0.1064 0.1186 0.0643 0.0732 0.1022 0.1088 0.0914 0.1126 0.0842 0.0993 0.0579 1.3747 1.4146 3.2121 1.9389 1.2160 1.8699 1.6015 2.8329 1.9357 1.4750 1.9263 1.9071 1.4794 1.4422 1.8373 2.0970
Durlettone 0.4490 0.6763 0.7028 0.5259 0.8478 0.8226 0.5532 0.5540 0.6112 0.6056 0.6467 0.5025 0.8456 0.6443 0.7298 0.5105 1.5207 1.0639 1.0312 0.8192 1.6504 1.7575 1.7066 1.2973 1.6927 1.1302 1.1560 1.0080 1.6655 1.4463 1.5589 1.2084
Epibatidine 0.9048 1.0533 0.9568 0.9671 0.8822 0.9607 0.7970 0.8711 0.9729 0.9292 0.9723 0.8686 0.9547 0.9397 0.8977 0.8744 1.0737 1.1832 0.9789 1.0298 1.0910 1.0883 1.0386 1.1088 1.1613 0.9719 1.0516 1.0995 1.1013 1.1047 1.1012 1.0136
[FA (11:0)] undecanoic acid 1.1148 1.0461 1.1132 1.0401 1.0628 0.8684 0.9702 1.0802 1.0034 0.9135 1.0616 0.8159 0.9059 1.0519 1.1003 0.8082 0.9168 0.9166 0.9099 0.9801 1.0850 1.0763 1.0562 1.1902 0.8824 0.9090 0.9966 1.0358 0.9473 1.2105 0.9038 1.0275
FA (14:1) tetradecenoic acid 1.1129 0.9773 1.0642 0.9612 0.7544 0.9439 0.8804 0.9886 1.0711 0.8839 0.9711 1.1058 1.0529 1.0722 0.9576 0.9511 0.9310 1.0494 1.0401 1.0432 1.1290 1.0987 0.9284 1.0469 0.9929 0.9855 0.9220 0.7686 0.9345 1.0799 1.1377 1.1634
FA(16:1) 1.2360 0.8442 1.2911 0.8329 0.9186 0.8960 0.9676 0.9827 1.4187 0.9765 1.1908 0.9529 1.0903 1.0763 1.2332 0.9537 0.8616 1.2233 0.8854 0.8291 1.0473 0.8155 1.1222 0.9150 1.2837 0.7430 0.8342 0.7996 0.8703 0.9726 1.0831 0.8526
FA (17:0) 0.9538 1.0498 0.9645 0.9536 0.8725 0.8441 0.9727 1.0578 1.0774 1.1564 0.9590 0.9453 1.0065 0.8923 1.0365 1.0344 0.8349 0.9404 1.0008 0.9291 1.0178 1.0525 1.0298 1.1608 1.0340 0.8524 1.0425 0.9542 1.0507 1.0977 1.0724 1.1531
[FA (18:1)] 9Z-octadecenoic acid 1.0508 1.2324 1.0647 1.0378 0.7898 0.8097 0.9035 1.0239 1.0458 0.6782 0.9006 0.8658 0.9628 0.7797 0.8521 0.7718 0.9430 1.1124 1.1886 0.7835 1.3017 1.3011 0.9715 1.2210 1.0187 1.1489 0.9384 1.0590 0.9652 1.0446 1.0851 1.1478
[FA (18:3)] 9Z,12Z,15Z-octadecatrienoic acid 0.9495 0.8783 1.0895 1.0101 1.0387 0.9260 0.9433 0.9384 1.1339 0.9374 1.1377 0.8529 1.0288 1.0538 0.9630 0.9827 0.8960 1.0018 1.1198 1.0064 1.0731 1.1002 1.1559 1.0920 1.0790 0.9309 0.9208 0.9664 0.7749 0.9453 1.0748 0.9987
FA (20:0) 0.9297 0.9571 1.1784 1.3654 0.7779 0.8540 1.0128 0.9978 1.0485 1.0095 1.2990 1.0134 1.1741 0.9566 1.0190 0.9627 0.8058 1.1438 0.9131 0.9808 1.1088 0.9004 1.1353 1.0077 1.1461 0.8625 0.8901 0.8871 0.7363 1.0478 0.9763 0.9022
FA (20:4) 0.9927 1.0269 1.0791 1.1406 0.8628 0.8199 0.7022 0.6823 1.0101 0.7997 0.9954 0.8772 1.2077 0.9290 0.8542 0.8201 0.8796 1.0562 1.1014 1.0287 1.0620 1.1346 1.2151 1.2006 1.2572 1.0483 1.0082 1.1155 0.8417 1.0564 1.1297 1.0649
[FA (22:5)] 7Z,10Z,13Z,16Z,19Z-docosapentaenoic acid 0.9935 1.0785 1.0008 1.2297 0.9351 0.8100 0.4773 0.3831 1.0252 0.8896 0.8779 0.8608 1.2611 0.9748 0.7947 0.6550 0.9502 1.1410 1.1258 0.9504 1.0661 1.1981 1.0905 1.1964 1.2740 1.0170 1.0335 1.1518 0.9324 1.2553 1.2614 1.1087
[FA (7:0/2:0)] Heptanedioic acid 0.9634 0.9714 1.0207 1.1278 0.9394 1.0214 0.8647 0.9723 1.0917 0.9229 0.9414 1.0501 1.0617 0.9886 0.9985 0.9927 0.9859 0.9564 0.9589 0.9810 1.0179 1.0762 1.0029 1.0751 1.0161 0.9829 0.9812 0.9926 0.9426 1.0752 1.0307 0.9957
FA (8:0) octanoic acid 1.0171 0.9874 1.0406 1.1072 0.8730 0.9994 0.9349 0.8168 0.9717 0.9040 1.0184 0.9926 1.0179 0.9183 0.9622 0.9573 1.0130 0.9674 0.9583 1.1030 1.0336 1.0415 1.1280 1.0599 1.1351 0.9487 0.9767 0.9815 1.0160 1.1338 0.9800 1.0046
FA (8:1) octenal 0.7939 1.1624 1.0321 1.0961 0.8220 0.8349 1.0330 1.0315 1.0915 0.9122 0.5232 0.7158 1.0066 1.0638 0.8639 1.0541 0.8866 1.2807 0.9776 0.8149 1.2376 0.9304 1.0825 1.2280 1.6292 0.9359 1.1668 1.0384 0.8238 1.0268 0.9764 0.9274
[FA dimethyl(13:0)] 2,5-dimethyl-2E-tridecenoic acid 1.0966 0.9459 1.0116 0.9614 0.9139 0.9674 0.9725 1.2156 1.0344 1.0041 0.9456 1.1092 0.9808 0.9607 1.0416 1.0092 0.8956 1.1299 0.9991 0.9481 0.9766 1.0288 0.9738 1.0157 0.8180 1.0228 0.9402 0.9122 1.0842 1.0358 0.9481 1.1008
FA hydroxy(10:0) 0.8750 0.9971 1.3116 1.2101 0.9768 1.0502 1.0200 1.1548 1.0471 0.9278 0.8678 1.0475 0.6988 1.1406 1.1882 0.8718 0.7615 0.8623 0.9418 0.6069 1.1606 1.1721 0.9743 1.0810 1.1250 0.8092 0.9428 1.1079 1.0077 1.0054 0.9209 1.1352
FA hydroxy(16:0)] hexadecanoic acid 1.0792 1.0081 0.8877 0.8882 0.8122 0.8601 1.0208 1.1660 1.0643 0.9463 0.9616 1.0708 1.0586 0.9787 0.9718 0.8951 0.9590 1.0497 1.0130 0.8490 0.9739 0.9997 0.9264 1.0510 1.0181 1.0316 1.0954 1.0539 1.0577 1.1682 0.9484 1.1355
FA hydroxy(18:0) 0.8865 1.0551 0.9580 1.1660 0.8553 1.1584 0.8937 1.0213 0.9479 0.8861 1.0346 0.9699 1.2068 0.9424 0.9100 0.9227 0.9137 1.1226 0.8522 1.0638 0.8700 1.1737 0.9796 0.9511 1.4068 0.8479 0.9490 0.9145 0.8188 1.0987 1.2119 1.0109
FA hydroxy(6:0) 0.9971 0.8658 1.0774 1.2230 0.7859 0.9490 1.0267 1.1979 1.1509 0.9010 1.0350 1.0079 1.0069 0.8950 1.0038 0.8645 0.9629 0.8902 0.9488 0.9570 0.9605 1.1292 1.0049 0.9864 0.8154 1.1498 0.9873 1.0175 0.8997 1.1574 1.0132 1.1321
FA hydroxy(7:0) 1.0311 1.0911 1.1382 1.2410 1.0408 0.9649 1.0191 1.1723 1.0177 0.7838 0.9706 0.8700 1.2095 1.1838 1.1436 0.7941 0.9879 0.8457 0.7892 0.8898 0.8818 1.1186 1.0347 1.0533 0.9670 0.9493 0.9996 0.9713 0.7585 1.0692 0.9936 1.0191
FA hydroxy(8:0) hydroxy-octanoic acid 1.0013 0.9509 1.1068 0.9638 0.7819 1.0444 1.0119 1.1464 1.1595 0.9351 0.9672 0.8899 0.8539 1.0247 1.0921 0.9585 0.8224 0.9477 1.0150 0.9541 1.0675 1.1864 1.0513 1.0976 0.8364 1.0007 1.0017 0.9755 0.8884 1.0533 1.0844 1.1294
FA hydroxy(9:0) hydroxy-nonanoic acid 0.9680 0.9728 1.1808 1.2952 0.6949 1.0105 1.0048 0.9867 1.1530 0.8622 0.9870 0.8461 0.9594 1.0873 1.1011 0.9060 1.0101 1.0988 0.9296 0.7930 1.0672 1.3651 0.7798 1.1106 0.8342 1.0503 1.1748 0.8809 0.8330 0.9480 1.1382 0.9705
FA methyl(12:0) dodecanoic acid 0.9986 1.0419 0.9987 0.9608 0.7648 0.9919 1.0437 1.1253 0.9408 0.9744 0.9031 1.0461 0.9410 1.0557 1.0287 0.9653 0.8992 1.0060 1.0458 1.0182 1.0994 0.9897 1.0613 1.0707 0.8311 1.1126 0.9843 0.9249 0.9750 1.1066 1.0340 1.0602
FA methyl(14:0) 1.1221 0.8469 1.1047 0.9101 0.8831 0.9050 0.8940 0.8474 1.3492 1.0936 1.0402 1.0108 1.1728 1.1782 0.9341 0.8476 0.9823 1.0996 0.8566 0.8717 1.1383 0.9303 1.0248 0.9496 1.5086 0.8363 0.8615 0.8162 0.8580 1.0924 1.1968 0.8369
FA methyl(15:0) tridecanedioic acid 0.5783 1.4982 0.2769 0.1733 2.9635 2.2582 0.7761 0.8960 0.2551 0.8816 0.2606 0.1145 1.1892 0.8077 0.3003 0.3015 1.5926 0.6875 1.0625 0.9180 1.2049 0.9194 1.0382 0.4492 1.7327 3.4324 0.8546 1.4432 0.7779 1.0889 0.4645 0.8026
FA methyl(16:1) 1.0194 1.0358 0.9817 1.0617 0.8091 0.9897 0.9680 1.0971 0.9744 1.1701 1.0033 1.0115 1.0024 0.9600 0.9738 0.9730 0.9031 0.9824 0.9802 0.8789 0.9777 1.1532 0.8732 1.0580 0.8240 1.0149 1.0861 0.9559 1.0966 1.0560 1.0373 1.0914
FA methyl(18:0) 0.9539 1.0237 1.0963 1.0721 0.9102 0.8403 0.8092 0.8523 1.0637 0.8818 1.1813 1.1070 1.1070 0.8544 1.0888 0.9534 1.0077 1.0036 0.9996 0.9187 1.0833 0.9463 1.0980 0.9699 1.2352 0.9311 0.9413 0.9096 1.0189 1.1024 0.9928 1.0460
FA methyl(6:0) 0.9884 1.0741 0.9902 0.9688 0.8598 0.9674 0.9437 1.0665 0.9647 0.9691 1.0033 1.0154 0.9700 1.0437 0.9891 0.9270 0.9892 0.9528 0.9780 0.9888 0.9896 1.0567 1.0598 1.0676 1.1185 0.9439 0.9952 0.9272 0.9464 1.0907 1.0884 1.0663
FA methyl(8:0) 0.8976 1.1199 0.9424 1.0897 0.8043 1.1020 1.0225 1.2125 1.0981 0.9277 1.0292 1.0881 0.9455 1.0715 1.0091 1.0393 0.8883 1.0040 0.9054 1.1052 0.8495 0.9150 1.0683 1.0512 1.0324 0.8078 0.9403 1.0763 0.8973 0.9726 1.0833 1.0037
FA oxo(16:0) 1.0097 0.8420 1.0779 1.1071 0.8872 0.9030 0.9222 0.9196 1.1537 0.8675 1.0742 0.9985 1.1819 0.9829 0.9024 0.8294 0.8600 1.0572 1.0651 1.0409 0.9720 1.0339 1.0480 1.1186 1.1913 0.8778 0.9750 0.9374 0.9072 1.2021 1.0504 1.0037
FA oxo(18:0) 1.0389 0.8753 1.1037 1.1377 0.7787 0.8845 0.9289 0.9370 1.1857 1.0230 1.2691 0.9773 1.3157 1.0509 0.9155 1.0111 0.8873 1.1117 0.8942 1.0325 1.1016 0.9162 1.0854 1.0691 1.1304 0.7820 0.9194 0.7643 0.7170 1.0712 1.1084 0.9764
FA oxo(7:0) 0.9141 0.9676 1.0280 1.1022 0.9125 0.9118 1.0081 1.1407 1.2108 0.9735 0.8690 1.0014 0.9091 1.0187 1.1098 0.9754 0.9598 1.0095 0.9657 0.8968 1.0191 1.1329 0.8730 1.0983 0.9929 1.0536 0.9863 1.0206 0.8882 1.0945 1.0012 0.9548
FA oxo(8:0) oxo-octanoic acid 1.0212 0.9596 0.9486 1.1073 0.9621 0.9924 0.9348 1.0059 1.0894 0.8991 0.9009 0.9127 1.1857 1.0663 0.9548 0.9694 0.9434 0.8745 1.0537 1.0123 1.1553 0.9746 0.9312 1.0417 1.1942 0.9742 0.9138 1.0761 0.8987 1.1157 0.9932 0.9373
[FA trihydroxy(4:0)] 2,3,4-trihydroxy-butanoic acid 0.7857 0.5596 0.7460 0.4645 0.6342 0.6197 0.5957 0.5518 0.7876 0.5597 0.7973 0.4892 0.7730 0.6262 0.5694 0.5899 1.5262 1.3428 1.4274 1.1410 1.3675 1.5056 1.2747 1.2131 2.1672 1.2915 1.3508 1.0664 1.3405 1.4683 1.2547 1.1127
Ferulate 1.1176 1.0035 1.1005 1.2283 0.8534 0.9594 1.0288 1.1223 1.0432 0.9134 1.1644 1.0081 0.9059 1.0136 1.1309 0.8678 1.0541 0.8774 0.9133 0.8617 1.0202 1.2188 1.0200 1.0406 0.7921 0.9033 0.9254 0.9853 0.9518 0.9531 0.9785 1.0431
gamma-L-Glutamyl-L-cysteinyl-beta-alanine 0.6713 0.7353 0.7602 0.7885 0.7926 0.6761 0.7990 0.8719 0.7548 0.7486 0.8404 0.8698 0.8366 0.7764 0.7580 0.8636 1.5273 1.2285 1.1981 1.0115 1.4467 1.2865 1.1342 1.0535 1.5942 1.1496 1.2544 1.0720 1.0999 1.1076 1.2192 1.0739
GDP-L-fucose 0.7054 0.6237 0.7757 0.6526 0.6203 0.6500 0.7054 0.7711 0.6074 0.6244 0.6819 0.7181 0.7616 0.6475 0.7239 0.7464 1.0413 1.2017 1.9115 1.3467 0.9944 1.4198 1.2991 1.5971 1.3538 1.1992 1.4029 1.2807 1.0971 1.1322 1.3541 1.3530
Gln-Leu-Lys-Tyr 0.8186 0.9110 1.0955 1.1543 0.9967 0.9512 1.0709 0.9974 0.9387 0.9980 0.8600 1.0839 0.9433 0.9756 1.0235 1.0985 1.0712 0.9146 1.1596 1.0141 0.9319 1.0520 0.9833 0.9364 1.2099 1.0659 0.9840 0.9787 1.0146 0.8828 0.9245 0.9595
Glu-Ala-Ala-Pro 0.9844 1.0538 1.1319 1.1331 0.8875 0.9473 1.0388 1.1207 1.0795 0.9447 1.1525 1.0493 0.9075 1.0632 1.1082 0.8654 0.9968 0.9471 0.8691 0.9084 1.0395 1.1027 0.9888 1.0182 0.8341 0.9437 0.9228 0.9473 0.9126 1.0685 1.0318 1.0006
Glu-Ala-Gly-Pro 1.0327 1.0383 1.0956 1.1329 0.8735 0.9392 1.0658 1.1794 1.0156 0.9204 1.1244 1.0185 0.8563 1.0394 1.1330 0.8290 0.9688 0.9361 0.9087 0.9084 1.0547 1.1585 1.0287 1.0122 0.8632 0.9955 0.9407 0.9272 0.8636 0.9845 1.0852 1.0700
Glu-Asp 0.9317 0.9079 0.5963 0.4042 0.8855 1.3904 2.1187 2.8530 1.0067 0.9654 1.1493 1.0464 1.0087 1.2199 1.3130 1.1925 0.0544 0.0680 0.2294 0.0984 NA 0.1504 0.0499 0.0317 NA NA 0.1928 0.0245 NA NA NA 0.1316
Glu-Ser-Thr 0.4219 0.5566 0.5814 0.5090 0.9122 0.6212 0.5407 0.6950 0.7656 0.6090 0.6124 0.4440 0.9228 0.6424 0.6315 0.5187 1.4786 1.1401 1.0016 0.7671 1.8106 1.7282 1.7368 1.4102 1.9162 1.1030 1.0603 1.0094 1.6060 1.5139 1.5365 1.1973
Glu-Thr 1.2809 0.8277 0.7471 0.6432 1.4874 1.7670 1.9024 1.9561 1.3905 1.0667 0.8702 0.7061 1.3500 1.2993 0.9438 0.8553 0.6309 0.8277 0.8203 0.8822 0.6524 0.8301 0.8305 0.9265 0.8290 0.7933 0.7288 0.8894 0.6803 0.8442 0.8508 0.8900
Glycerophosphoglycerol 1.6864 1.4291 1.6493 1.4153 1.4754 1.5755 1.7668 2.2473 1.5687 1.4762 1.8155 1.8313 1.5669 1.7108 1.8605 1.9885 0.2959 0.3171 0.3037 0.3306 0.2833 0.2848 0.3110 0.3286 0.3248 0.3148 0.2726 0.3409 0.3013 0.3006 0.3377 0.2888
Hexadecanoic acid 0.9166 0.7895 1.5000 1.4686 0.7266 0.7665 1.1417 0.9481 1.1096 1.0373 1.4675 1.0805 1.2294 0.8169 0.9136 1.1362 0.8002 1.0904 0.8808 1.0149 0.9514 0.8244 1.2091 1.1416 0.9167 0.7046 0.8977 0.8739 0.6017 1.0061 1.1250 0.9128
Hexanoic acid 1.0939 0.9478 1.0181 0.9879 0.8577 0.9531 0.8982 0.9657 1.0095 0.8798 0.9814 0.9419 0.9750 0.9933 0.9501 0.9328 1.0399 1.0483 1.1537 0.9906 0.9748 0.9984 1.0437 1.0554 1.2305 1.0306 0.9554 0.9831 0.9400 1.1040 1.0310 1.0346
Hippurate 0.7940 0.6950 0.8960 0.6386 0.8499 0.6960 0.7356 1.3141 1.2616 0.8510 0.8239 0.7534 0.7917 1.1032 0.8216 0.7759 1.3188 0.9271 1.0350 0.8575 1.4641 1.2786 1.0379 1.0411 2.0721 0.8729 0.9774 0.8322 1.4783 0.9649 0.8967 1.1441
Homogentisate 0.4093 1.3940 1.7607 1.9364 0.3659 0.6713 0.7489 0.5114 0.4289 1.1201 1.7197 1.9414 0.3555 0.9247 1.3748 1.8397 NA 0.1060 0.1158 NA 0.1139 NA NA NA 0.1486 0.1108 0.1014 NA NA NA NA NA
Hordatine A 0.9187 0.9991 0.8929 0.9512 0.8956 0.8768 0.8470 1.0163 0.9522 0.8083 0.9448 1.0484 0.9519 0.9234 0.7987 1.0340 1.0646 1.0588 0.8450 1.0377 1.0633 1.0569 1.0846 1.0103 1.1126 1.1334 1.0678 0.9885 1.1706 1.0893 1.1980 1.1595
Hydantoin-5-propionate 1.2298 0.8166 0.8345 0.7844 1.2179 1.4982 1.5497 1.7798 1.3490 0.8370 0.8689 0.9289 1.3134 1.1056 0.9293 0.8951 0.8761 0.9083 0.8406 0.8922 0.8548 0.9304 0.8595 0.8803 0.9788 0.8294 0.8569 0.8708 0.8519 0.8851 0.8514 0.8953
Hydroxymethylphosphonate 0.9907 1.0516 1.2524 1.0617 0.9393 0.9410 1.0602 1.0079 1.1458 1.0280 1.1303 1.1272 1.0838 1.0604 1.1269 1.0919 1.0775 0.9537 0.9507 0.9560 0.8256 0.7725 0.9679 0.8709 1.2619 0.8961 0.8569 0.8316 0.9763 0.8359 0.9780 0.8893
Hypaphorine 0.7437 0.7395 0.8122 0.7543 0.7233 0.7018 0.7860 0.8178 0.7319 0.6494 0.8236 0.7634 0.7277 0.7379 0.7778 0.7453 1.1721 1.2570 1.2438 1.1871 1.2338 1.2706 1.3283 1.3298 1.4124 1.1880 1.1898 1.1459 1.1461 1.2246 1.3625 1.2726
IDP 0.6945 0.7163 0.6281 0.5679 0.7547 0.6637 0.6233 0.4853 0.6299 0.6297 0.5921 0.5693 0.6971 0.6728 0.6281 0.5791 1.2823 1.5085 2.0452 1.1325 0.8780 1.4392 1.0949 1.3517 1.7116 1.6182 1.8921 1.1729 0.9224 1.3739 1.3283 1.1166
Ile-Lys-Lys-Met 1.0741 0.5967 1.5468 1.2958 0.8491 1.1870 0.8577 1.2938 1.0262 0.6699 1.2204 0.8936 0.6833 0.9218 1.2527 0.8529 0.7573 0.9224 0.8866 0.8359 1.2739 1.1180 1.0063 0.9599 0.5931 0.9471 0.9085 1.4220 0.8443 0.8979 1.1019 0.9354
Imidazole-4-acetaldehyde 1.0215 1.2879 1.2572 1.1014 1.0651 1.0533 1.1673 1.3275 1.0112 1.1157 1.2692 1.2389 1.0833 1.0736 1.1095 1.1568 0.7435 0.8427 0.8634 0.8988 0.8577 0.7976 0.8758 0.9242 0.9667 0.8111 0.9212 0.8595 0.7505 0.9010 0.8219 0.8253
iodoacetate 1.1882 1.2331 1.0153 1.2096 1.0865 1.1875 1.1253 1.1893 1.1408 1.1270 0.3595 0.5407 1.1673 1.1301 1.2327 1.2559 1.1468 0.8156 1.2147 1.3085 1.1074 0.6359 0.5419 0.7657 0.8289 0.6980 1.1756 1.1095 1.1278 0.8239 0.3534 1.1577
L-2-Aminoadipate 0.3873 0.3616 0.4326 0.2482 0.3362 0.3183 0.3791 0.3457 0.3744 0.2990 0.3934 0.3610 0.3361 0.3541 0.3292 0.3411 1.5083 1.4874 2.3272 1.9583 1.0546 1.4322 1.3957 2.2317 2.0171 1.4293 2.0883 1.5986 1.3327 1.1777 1.5951 1.7682
L-Ascorbate 6-phosphate 1.0548 1.1020 1.1293 1.1618 0.9172 1.1174 0.9912 0.9962 1.0341 1.0551 1.1524 1.1158 1.0983 1.1498 1.1150 1.1321 0.8765 0.9082 0.9121 0.8981 0.8999 0.9977 0.8937 0.9595 0.9915 0.9328 0.9182 0.8323 0.9211 0.8850 0.9504 0.9003
L-Aspartate 2.3544 1.0787 0.4450 0.3478 2.2091 2.9523 2.7346 1.8068 2.3271 1.3686 0.5934 0.4294 2.3510 1.6667 0.7799 0.5095 0.3037 0.3892 0.4060 0.3806 0.3201 0.8722 0.4559 0.5118 1.0170 0.9542 0.4011 0.4446 0.3142 0.3909 0.4351 0.4493
L-Aspartate 4-semialdehyde 0.9592 0.8886 1.0198 0.9272 1.0379 0.9280 0.8561 0.9722 1.0235 0.8771 1.0147 1.0463 0.9517 0.8738 0.9782 0.9376 1.0387 1.1751 1.0228 1.0594 1.0061 1.0228 1.0649 1.0651 1.1804 0.9936 1.0624 1.0420 1.0174 0.9664 1.0494 1.0248
Lathodoratin 1.0006 0.9192 0.8735 0.9682 0.8536 0.9700 1.0205 0.8620 0.7832 0.8860 1.0128 0.9743 0.8862 0.9569 0.8361 0.9891 1.1057 1.0436 1.1937 1.2970 0.8592 0.8649 1.0995 1.0593 1.0796 1.1152 1.1035 1.3405 0.9802 0.8829 1.0084 1.1746
Leu-Ala 0.7008 0.8211 0.7998 0.8501 0.7512 0.6949 0.9141 0.9007 0.6910 0.7526 0.8677 0.9101 0.8466 0.8252 0.7290 0.9249 1.1727 1.1954 1.1853 1.1190 1.0967 1.3166 1.2520 1.0949 1.3853 1.2067 1.1681 1.2360 1.0522 1.0474 1.3242 1.1677
Leu-Val-Gly 0.9639 0.9461 1.1482 1.0822 0.9778 0.9497 1.0183 1.2622 0.9583 0.9994 1.0860 0.9779 1.1032 1.0447 1.0503 1.0623 0.9079 1.0030 1.0875 1.0410 1.0066 0.9216 1.0063 0.9470 1.0151 0.8341 0.9659 0.8978 0.7653 0.8845 1.0042 1.0818
L-Fuculose 1-phosphate 0.9791 0.8967 1.0795 0.8480 0.9396 1.1308 0.9219 0.8009 0.8445 1.0687 0.9439 0.8801 0.9729 1.0895 0.9159 0.9658 1.0276 1.0287 1.1257 0.9761 1.0188 1.0514 1.0117 1.1299 1.3132 1.0599 0.9469 1.0514 0.9448 1.0203 0.9968 1.0192
Linoleate 0.9049 0.9062 1.0193 0.9425 1.3486 0.8864 0.8060 0.9650 1.4297 0.8520 1.3329 0.8441 1.0812 0.9451 0.8741 1.3258 0.7563 0.9925 0.9899 0.9751 1.1073 0.9448 1.1542 1.0125 0.9490 0.8695 1.0414 0.8193 0.7751 0.9266 1.2316 0.9912
LL-2,6-Diaminoheptanedioate 0.7126 0.7522 0.7246 0.7155 0.6457 0.7322 0.6943 0.6681 0.7665 0.7061 0.7527 0.7088 0.7448 0.6978 0.6695 0.6507 1.3332 1.2775 1.2852 1.2258 1.3213 1.3410 1.2487 1.0872 1.6052 1.2538 1.1426 1.2214 1.3698 1.3146 1.3332 1.2973
L-Lysine 1.1240 0.8748 0.8792 0.9633 1.1563 1.1597 1.2806 1.7957 1.1216 0.9540 1.0100 1.0193 1.1902 1.2568 1.0468 1.1254 0.8334 0.8554 0.9011 1.0163 0.8344 0.8199 0.8671 0.9593 0.9398 0.9111 0.8408 0.9296 0.7558 0.7422 0.9067 0.9293
L-methioninamide 1.3931 1.6206 1.6219 1.7110 1.6458 1.4072 1.3943 1.8036 1.5278 1.6122 1.6555 1.4488 1.5982 1.5890 1.6430 1.4798 0.4006 0.4421 0.4092 0.4388 0.5004 0.3688 0.4055 0.4702 0.5236 0.4073 0.3708 0.4880 0.3784 0.3732 0.4221 0.4492
L-Tryptophan 2.8092 0.4744 0.5642 0.6844 0.4887 0.4842 0.4478 0.5325 0.7552 0.4689 1.5434 1.7532 0.6531 0.4886 0.5225 0.4272 2.7260 0.5745 0.5559 0.4508 0.4890 1.6148 0.6433 0.5845 6.3863 0.4048 0.5181 1.5295 0.4402 0.6622 0.6169 0.7056
L-Tyrosine 0.9150 0.9233 1.2316 0.9623 0.9561 0.9127 0.9637 1.0198 1.0822 0.8515 1.0959 0.9994 0.9639 0.9013 0.9476 0.8441 1.0910 1.0507 1.0730 0.7372 1.1143 1.1647 0.9890 1.0543 1.0607 1.0573 0.9741 0.8063 0.9737 1.0393 1.0874 1.1569
Lys-Lys-Trp-Pro 1.1754 0.7495 0.6004 0.3126 0.8743 0.6959 0.6392 0.1345 1.0720 0.5474 0.3376 0.1207 1.1402 0.5283 0.3067 0.1536 1.0481 1.1512 1.4234 0.9710 1.4260 1.8332 1.0457 1.5196 1.2112 1.3405 1.3051 1.0856 1.3526 1.2919 1.3606 1.6805
LysoPE(16:0) 1.4766 0.6886 0.9453 0.7176 0.6608 0.7201 1.1467 0.9276 1.0677 0.5019 1.0154 0.5773 1.1125 1.2281 0.8295 0.8897 1.2742 0.9133 0.9786 0.7790 0.7395 1.3494 1.6579 1.0772 2.3581 0.6426 1.4219 0.9694 0.5968 1.0007 0.8417 0.8941
Margaroyl-EA 0.7727 0.9525 1.1041 1.1752 1.2804 0.8712 1.2920 0.8356 2.0566 3.2902 0.8481 0.7400 0.7538 0.9028 0.7167 1.3381 0.8086 0.5269 0.3660 0.6302 0.7427 0.8587 1.8515 0.6421 0.3235 0.4517 0.5071 0.5230 2.4639 0.7203 1.0523 0.6014
melibionate 1.0343 0.8912 0.8870 0.9106 0.9386 0.9834 0.9932 0.9925 0.9177 0.9971 0.8564 0.8863 1.0360 0.9618 0.8995 0.9106 1.0303 0.9899 1.0665 1.0036 1.0798 1.0542 0.9961 1.1072 1.2646 1.1318 1.0082 1.0739 1.0245 0.9804 1.0264 1.0666
Metazocine 1.2676 0.9874 1.1367 1.1518 0.8201 0.9120 0.9946 0.9949 0.9583 0.9963 0.9099 0.9624 1.0637 0.9871 0.9844 0.9775 1.0515 0.8558 0.9009 0.8596 1.0169 1.0816 0.8952 1.1151 0.7294 1.1170 0.9817 0.9024 1.0568 1.1900 0.9969 1.1448
Methacholine 0.8427 0.9079 0.9139 0.8988 0.7609 0.8775 0.8706 0.9505 0.9015 0.8846 0.9486 0.9514 0.8893 0.8642 0.9383 0.9188 1.0999 1.1306 1.1141 1.1470 1.0345 1.1137 1.1527 1.1369 1.1301 1.1190 1.0111 1.0650 1.0620 1.1198 1.1023 1.1419
Monomethyl sulfate 0.9089 0.9503 0.9442 0.9496 0.8221 0.8923 0.7915 0.9552 0.9559 0.8074 0.8733 0.9149 0.9200 0.8750 0.8688 0.8730 1.0976 1.2101 0.9473 1.1082 1.2585 1.1027 1.0786 1.1169 1.2670 1.0345 0.9592 1.0133 1.1394 1.2056 1.0898 1.0690
Muramic acid 0.8225 0.8489 0.8996 0.8280 0.8154 0.8253 0.8280 0.9174 0.8433 0.8080 0.8906 0.9114 0.8917 0.8771 0.8612 0.8989 1.0059 1.0477 1.1718 1.0690 1.1707 1.1651 1.2845 1.2317 1.2414 1.0340 1.0793 1.0567 1.1806 1.1440 1.2216 1.1286
N-Acetyl-D-fucosamine 0.9176 0.8794 0.9164 0.9020 0.8025 0.8430 0.1577 0.8866 0.8170 0.8522 0.8267 0.8389 0.7761 0.9162 0.8345 0.8690 1.1338 1.1808 1.2336 1.1688 1.1107 1.2052 1.2157 1.1761 1.4646 1.1301 1.1379 1.1794 1.1255 1.1709 1.1321 1.1989
N-Acetyl-D-glucosamine 6-phosphate 0.8220 0.9704 0.9150 0.9000 0.8829 0.8893 0.8816 0.9940 0.8611 0.8367 0.8887 0.9067 0.8358 0.9405 0.8740 0.9283 1.1179 1.0314 1.1464 1.0807 1.0345 1.2078 1.0935 1.1047 1.2213 1.0470 0.9978 0.9963 1.0873 1.0946 1.2427 1.1690
N-Acetyllactosamine 0.8808 0.9148 1.0142 0.8591 0.8734 0.8481 0.9721 1.0641 0.8436 0.8923 0.9520 1.0197 0.8840 0.9658 0.9143 0.9465 1.0565 1.0718 0.9682 1.0658 1.0188 1.0317 1.1568 1.1065 1.1376 1.0314 1.0243 1.1051 0.9769 1.1289 1.1313 1.1436
NADP+ 0.8507 0.8615 0.9114 0.7900 0.6925 0.8319 0.9097 0.8516 0.7535 0.7417 0.8843 0.8748 0.8978 0.8814 0.9339 0.8998 0.9631 1.0765 1.6516 1.1527 0.9685 1.2112 1.0438 1.5066 1.2827 1.0674 1.1710 1.0692 1.0121 1.0011 1.1008 1.1553
N-Decanoylglycine 1.1394 1.1133 1.1206 1.2256 0.7893 0.9864 1.0759 1.1092 1.0258 0.7638 1.0228 1.0398 0.8140 0.8484 1.1041 0.9481 1.0581 0.8772 0.9633 1.0838 1.2592 1.0678 0.9345 0.8724 0.8996 1.1708 0.7980 1.0597 0.7451 0.8997 1.1510 1.0333
N-Dimethyl-2-aminoethylphosphonate 1.0631 0.9559 1.0764 0.9645 0.9145 0.8704 1.2022 1.0674 1.0071 0.8774 1.0525 1.0157 0.9567 1.1114 0.9043 0.9570 0.8933 1.0316 0.9317 1.0742 1.0234 1.0087 0.9902 1.0842 1.0167 0.9368 1.0168 1.1213 0.8821 0.9196 1.1640 0.9090
N-Ethylglycocyamine 0.8533 0.8621 0.9048 0.8572 0.7791 0.9048 0.8378 0.8919 0.8748 0.8129 0.9364 0.8979 0.8691 0.8801 0.8536 0.8369 1.1305 1.1220 1.0964 1.1151 1.0725 1.1659 1.1789 1.2243 1.1275 1.1373 1.0652 1.1137 1.0992 1.1209 1.1742 1.2039
N-Formiminoglycine 0.9294 0.9777 1.0254 1.0836 0.9574 1.0135 1.0344 1.1014 1.0374 0.8911 1.1020 0.9564 0.9178 0.9962 1.1206 0.9070 0.9402 0.9532 1.0569 0.9303 0.9777 1.0576 0.9224 1.0229 0.8947 1.0611 1.0069 0.9293 0.9995 1.0712 1.1807 0.9443
Nicotinate D-ribonucleotide 1.2782 1.6460 2.3334 3.1958 1.2680 1.3389 1.3437 1.5604 1.3130 1.4100 2.0883 2.8483 1.3672 1.5223 1.8670 2.4761 0.0285 0.0514 0.0361 0.0354 0.0213 0.0473 0.0322 0.0261 0.0211 0.0408 0.0400 0.0231 0.0268 0.0521 0.0462 0.0214
N-methylisocyanurate 1.4599 0.8372 1.1199 0.4438 1.0204 0.8493 0.9500 0.9626 1.5647 0.8522 0.9309 0.8184 0.6911 0.8213 0.8990 0.8290 1.0245 0.9357 0.7335 1.3789 0.6097 0.8495 1.4627 0.5910 1.2829 1.0528 1.3718 0.7514 1.8047 1.2795 1.0736 0.7479
N-Nonanoylglycine 1.2400 1.0583 1.2270 1.1110 0.7492 1.1579 1.0945 1.1539 0.8968 0.8633 0.7568 1.1163 0.9037 0.8284 1.0162 0.9150 0.8732 1.0481 0.7824 0.9372 1.0385 1.1812 0.9833 1.2002 0.8359 1.0339 1.0583 1.1114 0.7928 1.0733 0.9126 1.0492
nonulose 9-phosphate 0.8296 0.9500 1.0204 0.9709 0.8795 0.9179 0.9346 0.9186 0.8733 0.8371 0.9430 1.0139 0.9681 0.9858 0.9701 1.0082 0.9025 0.9869 1.1877 1.1784 0.8837 1.0920 1.0568 1.3079 1.1890 0.9840 1.0590 1.1082 0.9038 0.8892 1.1209 1.1291
N-Undecanoylglycine 0.9604 1.2256 0.9994 1.0705 0.8073 1.0053 1.0048 1.1849 0.6914 0.8886 1.2618 1.1322 0.6865 1.2432 0.8726 1.3728 0.8201 0.8521 0.9348 1.2549 0.6561 0.7825 1.2686 1.2351 0.9180 0.7629 0.9758 1.2465 0.7288 0.9575 0.9854 1.2136
O-Acetylcarnitine 0.7575 0.6358 1.1008 1.7978 0.7765 1.1184 1.9412 4.4159 0.8457 0.9287 1.2438 1.9513 1.0096 0.9879 1.6618 1.9946 0.5787 0.2615 0.5475 0.6796 0.7359 0.3028 0.4541 0.6696 0.9205 0.4257 0.4304 0.6535 0.5644 0.3641 0.4698 0.6226
Octadecanoic acid 0.8586 0.8547 1.3190 1.4795 0.7250 0.8180 1.0394 0.9055 1.0642 0.9180 1.4061 1.0538 1.2350 0.8083 1.0221 1.0647 0.8175 1.0624 0.9671 1.0519 1.0074 0.8917 1.0984 1.1363 0.9923 0.7568 0.9460 0.9184 0.6833 1.0728 1.0789 0.9468
O-glucosyl-tomatidine 0.7283 0.7896 1.1166 0.9056 0.9381 0.9584 0.8241 1.1075 1.3421 0.7720 0.9690 1.1512 0.8141 0.6341 0.8805 0.7730 1.1269 1.0808 0.8538 1.2891 0.9891 1.6347 1.1607 1.1201 0.6065 1.1415 1.1147 0.9466 0.9986 1.1759 0.8518 1.2048
O-Phospho-L-serine 0.7745 0.7235 0.4397 0.2443 0.7924 1.3150 2.0909 3.1547 0.7720 0.8817 0.6728 0.6523 0.8410 0.8978 0.9748 0.7725 NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA
Orthophosphate 0.8643 1.1303 0.8657 1.1179 0.8004 0.8287 1.1354 1.1642 0.8353 0.8027 0.9260 0.8432 1.1526 0.9091 1.1459 1.1235 0.9834 1.0475 1.4016 0.8749 0.8544 0.9338 0.8061 1.3369 1.0689 0.9692 1.2194 1.0215 0.9390 0.9138 0.9306 1.0542
Ovothiol B 0.5361 0.2922 1.0215 0.3132 0.3139 0.2814 1.3089 0.4045 0.3143 0.3412 0.7453 0.3426 0.3040 0.7479 0.3359 0.8795 1.8928 0.4359 4.0228 0.8037 0.3947 2.9401 2.1993 1.2432 3.5507 0.3961 2.3720 0.7903 0.5914 0.4687 0.4317 0.9841
Oxalate 1.0226 1.0647 0.9447 1.0436 0.8798 0.9573 0.9072 1.1384 1.0218 0.9960 1.0024 1.0332 1.0317 1.0087 1.0062 0.9475 0.9292 1.0184 1.1005 0.9960 1.0235 1.1975 0.8840 1.0652 1.1092 0.9820 0.9862 0.9151 0.9467 1.0903 0.7927 0.9575
PA(34:1) 1.2605 1.2473 1.1392 1.4088 0.9071 1.1196 1.0921 1.0662 0.9710 1.0704 1.0512 1.2555 1.0354 1.0353 1.2037 1.1825 0.8340 0.8685 0.6938 0.9109 0.8945 0.8663 0.9071 1.0977 0.7073 0.8485 0.8475 0.8156 0.7340 0.9453 0.9351 1.0481
PA(34:2) 1.1944 1.1849 1.0786 1.3295 0.8037 1.0436 1.0715 1.0271 0.9067 1.0000 1.0269 1.2081 1.0741 0.9770 1.0703 1.0899 0.8692 1.0227 0.7248 0.9065 0.9297 0.9245 0.9457 1.1862 0.7640 0.9640 0.8727 0.8888 0.8250 1.0170 0.9613 1.1117
PA(36:1) 1.3289 1.2422 1.1556 1.4305 1.0485 1.1841 1.3456 1.1946 1.0182 1.0704 1.2648 1.2256 1.1101 0.9842 1.3263 1.0668 0.8406 0.8729 0.6117 0.7839 0.8854 0.7783 0.8481 0.9176 0.5936 0.8132 0.7735 0.7657 0.7604 0.8836 0.8811 0.9938
PA(36:2) 1.2874 1.3657 1.1537 1.4792 0.9813 1.0811 1.2532 1.1330 0.9941 0.9930 1.1625 1.1824 1.0721 0.9856 1.1474 1.0881 0.8383 0.9992 0.6607 0.7798 0.8792 0.8294 0.8900 1.0537 0.6489 0.8498 0.8211 0.7937 0.7217 0.9243 0.9077 1.0430
PA(36:3) 1.1644 1.2474 1.1531 1.3067 0.9249 1.1754 1.2192 1.1182 0.9858 0.9538 1.0684 1.2438 1.0528 1.0785 1.0459 1.0586 0.8602 1.0071 0.6999 0.8642 0.7127 0.9011 0.9180 1.2498 0.7627 0.8742 0.7559 0.9370 0.7943 0.9355 0.8657 1.0648
PA(36:4) 1.2654 1.0866 0.9731 1.1623 0.8714 1.0581 1.0632 0.9418 0.8924 0.9430 1.0019 1.0900 1.0596 0.8807 1.0224 1.1188 1.0016 0.9789 0.7464 0.9664 0.9671 0.9757 1.0489 1.2968 0.9081 0.8760 0.9413 0.9633 0.8146 1.0140 1.0162 1.0538
parabanate 1.2042 1.3619 0.6539 0.7861 1.2966 1.1654 0.7109 1.1063 0.8358 0.9692 0.7733 1.0739 0.6392 1.0408 1.2766 1.6716 1.0008 0.7970 0.8128 0.5952 0.6897 0.8376 0.9260 0.5784 1.4401 0.6929 1.5010 0.8564 1.3538 0.5572 1.9672 0.8279
PC(17:0/14:1) 1.1847 1.2144 1.4184 1.1712 0.9844 1.2799 1.1144 1.5000 1.2697 1.0732 1.2787 1.1923 1.1436 1.2621 1.3582 1.3680 0.6894 0.7239 0.6587 0.8058 0.8383 0.7978 0.7717 0.7813 0.5795 0.6982 0.8274 0.7711 0.7002 0.7540 0.8366 0.9529
P-DPD 1.0621 1.0983 1.2324 1.1729 1.0488 1.1255 1.0872 1.2415 1.1300 1.0702 1.2017 1.1598 1.0711 1.0823 1.1729 1.1451 0.9013 0.8593 0.8916 0.8345 0.8627 0.8691 0.8277 0.8471 1.1727 0.8109 0.8226 0.8202 0.8768 0.8120 0.8717 0.8178
PE(30:4) 1.1506 1.2297 0.9122 0.9989 1.0408 0.9824 0.7906 1.0947 1.3032 1.1743 1.1520 0.9335 0.9807 0.8518 1.1812 0.7493 0.8426 0.9196 0.4971 0.8602 1.4057 1.2115 1.1529 0.8226 0.4407 0.9292 0.8220 1.1274 1.5586 0.9920 0.7866 1.1052
PE(36:3) 0.9289 1.1762 1.1304 1.2290 0.9880 1.0642 1.1306 1.5337 1.1042 1.1296 1.1737 1.1542 0.9706 1.0712 1.2270 1.0600 0.7941 0.8969 0.7724 1.0038 0.9347 0.8573 0.8780 0.8904 0.7646 0.8773 0.8054 0.8651 0.8165 0.8634 1.0391 0.8696
PE(38:6) 0.9524 0.8153 1.0821 0.8102 0.7849 1.1007 0.7595 1.0816 1.0340 0.8823 1.0241 0.7487 0.9822 0.9206 0.7468 0.9335 0.8669 1.0924 1.1011 0.9898 0.9918 0.9687 1.5868 1.2857 1.2009 0.9022 0.9372 0.9680 1.0205 1.1902 1.2332 1.0060
Pentanoate 1.0336 0.9874 1.0632 0.9861 0.9590 1.0038 0.9861 1.1015 1.1125 0.8636 0.9823 0.9336 0.8998 0.9915 1.0506 0.8854 0.9572 1.0603 1.0479 0.8992 1.0361 1.1704 0.9360 0.9717 0.8894 1.0157 1.0618 0.9796 0.9633 1.0521 1.0191 1.1001
PE(P-40:5) 0.8979 0.8584 0.9598 1.0445 0.7658 1.1022 0.8049 1.1274 1.0375 0.8863 0.8942 0.8362 1.0045 0.8502 0.7881 0.9192 0.9025 1.1251 1.0435 1.0228 1.0743 1.0263 1.3157 1.2593 1.1318 0.9878 0.9189 0.9214 1.0721 1.2647 1.1162 1.0405
PE(P-40:7) 0.9074 0.9317 1.0722 1.1608 0.5503 1.1901 0.9211 1.1912 0.9759 0.9542 1.0195 0.9081 1.0529 0.9268 0.9485 1.1025 0.8908 1.0538 1.1566 0.9188 0.9385 0.8738 1.3748 1.0946 1.1121 0.9573 0.8891 0.8890 0.9390 1.1087 1.0616 0.9281
[PG (18:0)] 1-octadecanoyl-sn-glycero-3-phospho-(1^-sn-glycerol) 0.4890 0.6438 0.6824 0.8348 0.5606 1.1794 1.4220 2.0115 0.7391 0.7100 1.1554 1.3146 0.6392 0.9515 1.3177 1.3490 NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA
PG(34:1) 1.0273 1.0350 0.9970 1.0236 0.7995 1.5268 2.3225 3.9571 1.2624 1.2001 1.0645 1.2098 1.1008 1.1231 1.4224 1.2684 0.5991 0.5866 0.5745 0.5725 0.5662 0.5161 0.7910 0.6895 0.6306 0.5463 0.5601 0.5822 0.6064 0.6134 0.6327 0.5927
PG(36:1) 1.0729 0.8544 0.8873 1.0500 0.7832 1.4554 1.8338 2.3328 1.4295 1.0794 0.9141 1.1107 1.1694 1.0418 1.1810 1.1379 0.6661 0.8196 0.8681 0.7275 0.7624 0.7920 1.0234 0.8140 0.7542 0.8023 0.6835 0.7090 0.8197 0.8888 0.7839 0.7519
PG(36:2) 1.1328 1.2208 1.4319 1.3887 0.8935 1.7198 2.4368 3.9432 1.5758 1.6507 1.5372 1.9623 1.3243 1.3891 1.9531 1.8783 0.2902 0.2883 0.2763 0.2649 0.2577 0.3060 0.3528 0.2538 0.3455 0.2672 0.2629 0.2919 0.2467 0.3078 0.2909 0.2587
Phenolsulfonphthalein 0.8329 0.9436 1.0085 1.0351 0.7882 0.9072 0.9606 1.2713 0.8632 0.7950 1.0594 0.9273 0.7966 0.9427 0.9530 1.0578 0.9844 0.9958 1.2070 1.0777 1.0369 1.0506 1.0435 0.9829 1.5579 0.8815 0.9522 1.0080 0.9906 1.0615 1.1417 0.8857
Phosphodimethylethanolamine 0.5097 1.5083 2.4861 2.2390 0.5626 0.9336 0.9256 0.7047 0.5907 1.5020 2.0345 2.7535 0.4589 1.2883 2.0923 2.4621 0.1406 0.1959 0.1710 NA 0.1256 0.1355 0.1640 0.1596 NA 0.1265 0.1586 0.1560 0.1525 0.1399 0.1531 0.1652
Phosphoenolpyruvate 0.6360 1.0676 1.0796 0.9926 0.5628 1.1372 1.1089 0.8780 0.6349 0.9878 1.1740 1.0730 0.7002 1.1656 1.1222 1.0952 0.6048 0.9724 1.4749 1.1075 0.6573 1.1475 1.1186 1.4043 0.7790 1.0136 1.1354 1.1265 0.6811 1.1221 1.0970 1.1426
Phosphonoacetaldehyde 0.5671 1.9604 2.8551 2.9749 0.5220 1.1031 1.0166 0.8375 0.5805 1.5901 2.8042 3.2119 0.5565 1.5843 2.3783 3.0130 0.0948 0.1780 0.2323 0.1340 0.0966 0.1049 0.0936 0.1086 0.0920 0.0911 0.0813 0.0868 0.1007 0.1127 0.1425 0.0975
Phthalate 1.0361 0.9195 1.0053 0.9831 1.0046 1.0268 0.9959 1.0465 0.9946 1.0180 0.9849 1.0561 1.0395 0.9878 1.0158 1.0248 0.9622 1.0530 0.9825 0.9817 0.8713 1.0662 1.0021 0.9063 0.9894 1.0228 0.9032 0.9910 0.9783 1.0870 1.0563 1.0073
Phytuberin 0.9749 1.0341 1.0600 1.0711 0.9870 0.9591 0.9412 1.0662 0.9801 0.9572 1.0031 1.0397 0.9584 1.0091 1.0201 1.0064 0.9422 0.9634 1.0250 1.0058 1.0512 0.9703 0.9947 0.9856 0.9832 0.9757 0.9804 0.9684 0.9734 1.0222 1.0768 1.0138
PI(36:1) 1.5841 1.8582 1.2617 1.5266 1.2335 1.6119 2.3297 3.2554 1.2040 1.3605 1.6536 1.9873 1.5429 1.3892 1.9444 1.7375 0.2865 0.3150 0.2221 0.3134 0.2327 0.3092 0.2918 0.3075 0.1690 0.2516 0.2516 0.2666 0.2506 0.3242 0.3402 0.3875
PI(36:2) 1.2525 1.4743 1.2032 1.2624 0.9344 1.4487 1.8561 2.5146 0.9840 1.2085 1.2711 1.6339 1.2888 1.1493 1.6097 1.4517 0.5478 0.6818 0.5155 0.6468 0.5749 0.4991 0.5868 0.7735 0.4530 0.6178 0.6225 0.4754 0.4922 0.6041 0.6458 0.7199
PI(36:4) 1.0628 1.0176 0.8964 1.1644 0.6957 0.8812 0.9457 0.8483 0.7746 0.8585 0.8159 1.1459 0.8789 0.8473 0.8423 0.9283 0.9387 1.1259 0.8472 1.1356 0.9754 1.1357 1.0725 1.4919 0.8609 1.1071 1.0505 0.9559 0.8352 1.2891 1.1811 1.3937
PI(40:3) 1.1564 1.1687 1.1891 1.2751 1.1784 1.0975 1.1590 1.4631 1.2291 1.1789 1.0605 1.2031 1.2150 1.2400 1.3172 1.0855 0.7628 0.7858 0.8594 0.8090 0.9945 0.8640 0.7419 0.8027 0.8449 0.8088 0.7447 0.7885 0.6575 0.8105 0.7239 0.7846
[PR] 1^-Hydroxy-4-keto-gamma-carotene glucoside/ 1^-OH-4-Keto-gamma-carotene glucoside/ (Carotenoid K-G) 0.5892 0.7841 0.8127 0.8572 0.5699 1.0374 1.4717 2.3938 0.8941 1.0251 0.9203 1.0334 0.7143 0.8605 1.1154 0.9209 NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA
[PR] 4-Hydroxymytiloxanthin 1.0137 1.0003 0.9345 1.0615 0.9645 0.9016 0.8887 1.0151 1.0199 0.8356 0.9844 1.1059 0.9840 1.0340 1.0356 0.9411 0.9578 1.0558 0.9803 0.9441 1.0913 1.0054 1.0961 0.9854 1.2592 0.9732 0.9227 0.8596 0.9386 1.1198 1.0606 1.0299
[PR] Abietic acid 1.5319 1.2658 1.0346 0.6580 0.7850 0.5763 0.5979 0.4169 0.7325 1.4809 0.5981 0.4843 1.5939 2.0224 0.8010 0.8011 0.7809 1.0759 1.4814 0.9587 0.6927 0.9351 1.8444 0.8788 1.6445 0.6821 1.0213 1.0252 0.4653 1.6643 0.6797 0.7891
[PR] Iridotrial 0.2183 0.3999 0.2619 0.5093 0.3927 0.3619 0.3822 0.3039 4.9348 0.6320 0.6327 0.5716 0.6469 1.1798 0.5390 0.4023 0.5015 0.3882 0.3928 0.2513 0.3442 0.3021 0.3321 0.2762 6.0768 3.1072 2.4842 2.3848 0.5061 0.7510 0.8134 0.7191
[PR trihydroxy(2:0)] (-)-8alpha,15-diacetoxy-4beta,9alpha,14beta-trihydroxy-3(16)-fusicoccene 0.5536 0.6361 0.6397 0.4053 0.9890 0.5331 0.5126 0.4566 0.5711 0.6019 0.8026 0.7463 0.6595 0.5546 0.6552 0.5138 1.7275 1.4198 0.9518 1.7703 1.5402 1.4039 1.6479 1.3782 0.9255 1.1877 1.1364 1.2273 1.0475 1.5595 1.2798 1.2021
PS(18:0) 1.6234 0.7974 0.8650 0.7197 0.8031 0.7901 1.1469 0.9960 1.0449 0.6049 1.0221 0.6116 1.1011 0.9468 0.8341 0.8393 1.2036 1.0793 1.1166 0.8904 0.8257 1.4452 1.0411 1.0362 2.0524 0.8119 1.2233 0.8770 0.7589 1.1056 0.9364 0.8500
PS(38:4) 0.8576 1.1671 0.9464 0.9190 0.9082 0.7951 0.9611 1.1060 0.9376 0.8821 0.9203 0.9085 1.0008 1.0453 1.0296 0.9851 0.8837 1.0797 0.8734 1.0936 1.0559 1.0698 1.0903 1.1228 0.9614 1.0732 0.9734 0.9701 0.9997 0.9449 1.1958 1.2423
PS(40:4) 0.9726 1.0392 0.9509 1.1006 0.6932 0.8562 1.1294 0.8724 0.8951 1.0025 0.8841 1.0193 0.8460 0.7223 0.9505 0.8876 1.1812 1.2324 0.8504 1.0729 1.0618 1.0662 1.0729 1.4637 0.7368 0.9437 0.9914 0.8988 0.8898 1.1651 1.1957 1.3551
PS(O-16:0/22:1(11Z)) 1.3294 1.2833 1.3539 1.2691 1.2937 1.2692 1.5368 1.6129 1.1391 1.3134 1.1491 1.3322 1.1760 1.3952 1.3946 1.3397 0.5772 0.7058 0.6623 0.7016 0.7146 0.7115 0.7614 0.6696 0.7324 0.6878 0.6673 0.5825 0.5923 0.6446 0.7443 0.6571
PS(O-20:0/0:0) 1.2218 0.7551 0.5704 0.3249 0.8937 0.8210 0.4061 0.1895 1.2293 0.6282 0.3877 0.1483 1.1206 0.5453 0.4288 0.1326 1.0280 1.0397 1.4767 0.8771 1.6682 1.7390 1.0450 1.4988 1.0952 1.4703 1.1998 1.2569 1.2965 1.3982 1.3445 1.9647
PS(O-36:1) 0.9195 1.0928 1.1293 1.0348 0.9590 1.1399 1.1999 1.7065 1.0645 1.0700 1.1863 1.0916 0.9963 1.1256 1.3541 1.1550 1.0184 0.8983 0.7052 0.9563 0.6796 0.9123 0.8042 0.8782 0.7854 0.8025 0.8302 0.8595 0.9679 0.8855 0.8994 0.8918
PS(O-36:2) 0.6867 0.7563 0.7352 0.7894 0.9482 0.6862 0.6697 0.9598 0.7072 0.7643 1.3217 0.6861 0.7040 0.8503 1.3819 1.0636 1.3848 0.7870 0.9139 1.3908 1.0181 1.3251 0.9731 0.9161 0.7877 1.8112 1.2342 1.1447 1.0771 0.9960 1.0565 1.4731
Psychosine 0.6406 0.6487 0.7894 0.7353 0.5446 0.6375 0.6199 0.6753 0.6503 0.6328 0.6855 0.6586 0.7113 0.8192 0.5997 0.7030 1.2063 1.1733 1.5270 1.3260 1.3792 1.3245 1.4849 1.4194 1.7719 1.2584 1.1734 1.1110 1.2110 1.2851 1.2985 1.2985
Psychotrine 1.1469 1.1166 1.1275 1.3012 1.0866 0.9830 1.1716 1.0276 1.1103 1.2103 1.1881 1.2461 1.0358 0.8862 1.1673 1.0246 0.8628 0.9921 0.8911 0.8304 0.8542 0.8473 0.8668 0.9819 0.9812 0.9180 0.8233 0.8537 0.9169 0.7169 0.9881 0.8457
Pyrazinamide 1.0265 1.5418 1.2844 1.2305 1.3468 1.3676 0.8659 0.9585 1.5340 0.6074 1.0110 0.5864 0.6594 0.7414 0.7672 0.8586 0.8626 0.9974 0.8819 1.1438 0.9164 1.2656 1.0025 1.1305 1.1414 0.6339 0.9253 0.7977 0.7103 0.7975 0.8905 1.5151
Pyruvate 0.6763 0.7203 0.7228 0.7578 0.8891 0.7545 0.8146 0.7194 0.7014 0.8061 0.7875 0.6893 0.8785 0.7271 0.7644 0.7452 1.2435 1.1361 1.1127 0.9927 1.3627 1.3478 1.5272 1.3470 1.3606 1.0732 1.0766 1.1540 1.2738 1.2941 1.4038 1.2746
Quinalphos 1.6939 0.7790 0.8739 0.8861 0.7180 0.6318 0.5756 0.8715 0.8871 0.6119 1.2721 1.5195 1.0336 0.7293 0.7926 0.6604 1.6945 0.8540 0.6740 0.5727 0.8123 1.4024 0.8028 0.9864 3.9728 0.5298 0.6672 1.1461 0.6535 0.8035 0.9750 0.9168
Retronecine 0.9978 1.0105 1.1435 1.3000 0.8416 1.0196 0.9187 0.9721 1.0645 0.9145 1.1366 0.9520 0.9355 1.0991 1.1393 0.8935 1.0100 0.9024 0.9161 0.9214 1.0739 1.1032 1.0735 1.0619 0.8258 0.8644 0.8592 0.9936 0.9389 1.0607 0.9720 1.0844
Rishitin 1.0069 1.0111 1.0765 1.0914 0.9531 0.9860 0.9867 1.0781 0.9371 0.9138 1.0398 1.0561 1.0466 0.9817 1.0048 0.9879 1.0114 0.9945 0.9922 0.9649 1.0720 0.9821 1.0198 1.0002 1.0193 0.9277 1.0125 0.9047 0.9337 1.0757 1.0020 0.9297
(R,R)-Tartaric acid 0.9560 0.9699 0.9620 0.9481 0.9145 0.9079 0.9246 1.0026 1.0469 0.8560 0.9387 0.8992 0.9917 0.8894 0.9394 0.8873 1.0922 1.0145 1.0320 1.2170 0.9093 1.2359 0.9698 1.1712 1.1692 1.0413 0.9858 1.0317 0.9850 0.9959 1.0667 1.0484
Rugosinone 1.0143 1.1804 1.1683 1.0790 0.8556 0.9071 0.9756 0.9772 1.1359 1.2857 1.0437 1.1552 1.0040 1.1125 1.0563 1.0065 1.3209 1.1048 0.8594 0.7968 0.9272 0.7876 1.0586 0.7264 0.9778 1.0674 0.8423 0.8119 0.9747 0.9907 0.9477 0.8483
(S)-2-Aceto-2-hydroxybutanoate 1.1357 0.9533 1.1920 0.9108 1.1021 0.9352 0.8549 1.2485 1.1714 0.8801 0.8650 1.1754 1.0548 1.0182 0.8079 0.9044 1.0405 0.9730 0.9128 0.9717 0.9871 0.9806 0.9512 1.0353 0.9391 0.9104 0.9895 1.1361 1.0605 0.9637 0.9547 0.9841
(S)-2-Acetolactate 0.7073 0.6049 0.7904 0.8929 0.8337 0.7720 0.9212 0.9306 0.7839 0.8975 0.5917 0.9346 0.8997 0.8034 0.9268 1.0546 1.1652 0.9244 1.1308 0.8408 1.3528 1.4087 1.6048 1.2823 1.1576 1.0173 1.0321 1.1197 0.9305 1.1521 1.3505 1.1851
(S)-2-Amino-3-(3-hydroxy-4-oxo-4H-pyridin-1-yl)propanoate 0.7740 0.6859 0.7743 0.7695 0.7304 0.7760 0.8479 0.9082 0.7196 0.6992 0.8113 0.7108 0.7677 0.8386 0.7736 0.9258 1.0872 1.1692 1.0976 1.3727 1.2518 1.1939 1.0757 1.3712 1.2338 1.1268 1.3173 1.2800 1.1543 1.2443 1.1260 1.3854
(S)-AMPA 0.7759 0.7508 0.7279 0.8776 0.8288 0.8149 0.8746 0.9493 0.8047 0.6806 0.8963 0.8213 0.8587 0.7678 0.8224 0.8719 1.0114 1.1863 1.1114 1.2384 1.1464 1.2269 1.0831 1.3691 1.2021 1.0783 1.2047 1.3125 1.1759 1.1227 1.2971 1.1103
Sanguinarine 0.8248 0.8760 0.8213 0.8249 0.7143 0.6928 0.8890 0.8134 0.7213 0.8403 0.9152 0.8239 0.7622 0.8713 0.8529 0.9735 1.2969 1.2486 1.3972 0.9524 1.0611 1.2492 1.1187 1.2312 1.7347 1.0539 1.0643 1.0681 1.1099 1.1202 1.0705 1.0059
S-Methyl-5-thio-D-ribose 1-phosphate 0.9101 0.4945 0.6207 0.4637 0.9900 1.0841 2.2726 2.7496 0.8810 0.5150 0.7645 0.6760 0.9725 0.7133 0.8190 1.0734 NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA
sn-glycero-3-Phosphocholine 1.0243 1.0879 1.0855 0.9433 0.8565 1.0520 0.9916 1.2286 0.9531 0.9969 1.2385 1.1008 0.9758 1.1132 1.0800 0.9863 0.8690 0.9246 0.9298 1.0565 0.9284 0.9145 0.8702 1.1384 0.9512 0.8701 0.9424 0.9606 0.7891 1.0590 0.9865 1.0955
sn-Glycerol 3-phosphate 0.2472 0.3224 0.3306 0.3063 0.2362 0.3371 0.3174 0.3085 0.2547 0.3137 0.3313 0.3080 0.2504 0.3301 0.3202 0.2990 1.5811 1.6339 1.6237 1.7059 1.5909 1.7287 1.7869 1.7793 1.6955 1.5806 1.7449 1.8561 1.5399 1.7249 1.8799 1.7347
sodium dodecyl sulfate 0.9922 0.7631 0.7819 1.6383 0.6124 0.6647 0.6700 0.7145 1.0903 0.9284 0.9701 0.8715 0.8836 1.3261 1.9637 0.8199 0.6431 1.4578 0.6686 0.8955 1.0924 0.8538 0.8450 0.7237 3.7235 0.7744 0.7257 0.5839 0.6017 1.1487 0.8093 0.7623
[SP (24:0)] N-(15Z-tetracosenoyl)-sphing-4-enine 0.8999 1.0112 1.0783 1.0690 0.9179 1.1409 0.8065 1.4028 1.0392 0.9905 1.0299 0.9209 0.9564 0.9437 1.0217 0.9042 0.8416 1.0225 0.8068 0.9974 1.2554 1.0395 1.2073 1.0648 0.6688 0.9419 0.8518 0.8433 1.0593 1.0578 1.1273 1.0811
Spongipregnoloside A 0.2138 0.3164 0.3603 0.2705 0.2188 0.3247 0.3221 0.3180 0.2908 0.3202 0.3322 0.2874 0.2774 0.3442 0.2842 0.2861 1.6616 1.6991 1.5329 1.5693 1.6041 1.8211 1.5590 1.5350 1.6571 1.4847 1.8452 1.8986 1.5053 1.8133 2.2489 1.7975
[SP] Sphing-4-enine-1-phosphate 0.9544 0.4174 NA 0.4745 0.7711 0.4488 0.7216 0.5988 0.6218 0.3964 0.4136 0.4166 1.3724 0.2849 0.5850 0.3624 1.9726 1.0118 0.5930 1.2323 2.3109 0.7726 0.8389 0.8623 2.4989 0.8811 0.9460 1.0983 2.4014 0.7370 0.7292 0.9117
[ST hydrox] 3alpha,7alpha-Dihydroxy-5beta-cholan-24-oic Acid 1.0534 1.0027 1.0579 0.9545 0.7607 1.0796 1.0186 1.3518 1.0337 0.9144 0.9738 1.2983 1.0375 0.9517 0.9665 0.8159 1.0195 1.1679 0.8962 1.0281 0.9059 1.0392 0.8025 0.9437 0.8668 0.9807 0.9436 1.0234 0.8799 0.9925 1.1507 1.0882
[ST hydroxy(3:0)] 3-hydroxy-estra-1,3,5(10)-trien-17-one 3-D-glucuronide 1.5264 0.8277 0.6981 0.5376 1.4748 1.1769 1.5122 2.0111 1.8362 0.9270 0.7675 0.6014 1.9741 0.9466 0.6864 0.5882 0.8940 1.1729 0.6287 0.9651 0.8164 0.8393 0.8599 0.8028 0.7721 0.9111 0.7545 0.7959 0.9326 0.9087 0.9123 0.9417
Sulfate 0.9174 0.8487 0.8801 0.8917 0.8569 0.8367 0.8633 0.9081 0.8902 0.8457 0.8934 0.8587 0.9310 0.9261 0.8558 0.8668 1.0875 1.0839 1.1894 1.0803 1.1276 1.1734 1.1019 1.1958 1.2330 1.0677 1.1034 1.0129 1.1144 1.1297 1.1432 1.0854
tetcyclacis 1.4073 0.7063 0.7695 0.8366 1.1725 1.3338 0.6028 0.8717 1.0371 0.6168 0.7490 0.7314 0.8977 0.7216 1.0203 0.8020 0.9024 0.9951 0.8265 1.0349 1.2720 1.0706 1.2199 1.0552 1.5515 1.0309 1.1943 1.0145 1.1101 1.1118 1.1015 1.2323
Tetradecanoic acid 1.0029 0.9279 1.1455 1.0923 0.9106 0.8973 0.9024 0.9220 0.8593 1.0112 1.0582 0.9800 1.0919 1.0355 0.9406 0.8952 0.9092 1.0479 0.9575 0.9496 1.0672 1.0182 1.0422 1.0624 1.2561 0.8841 0.9670 0.9373 0.8585 1.2107 1.1827 0.9764
tetrahydrogeranylgeranyl-bacteriopheophytin 0.9366 1.0318 0.8666 1.1820 0.7291 0.7166 1.0602 0.8394 0.6884 0.9183 0.8920 1.0910 0.8454 0.7306 0.9552 0.9227 1.0443 1.2644 0.8951 1.0978 1.0281 1.1211 1.1539 1.3713 0.7894 1.1605 1.0135 0.9577 0.8254 1.2685 1.2278 1.3753
Thiodiacetic acid 1.0274 1.1746 1.0714 1.0276 0.8869 0.9291 1.0653 1.0008 0.9141 1.0361 1.0513 0.8114 0.9077 1.1574 0.9881 1.0817 0.8611 1.0277 0.9244 0.8756 0.9486 1.1820 0.8768 1.0768 0.8419 1.0647 1.1302 0.9166 0.8378 1.0943 1.1594 1.0511
Thiourocanic acid 0.7127 0.6511 0.7715 0.8263 0.8025 0.9115 0.8818 1.0163 0.6357 0.6622 0.7738 0.7222 0.7484 0.7912 0.7483 0.7939 0.9970 1.1163 1.3291 1.2526 1.1422 1.2013 1.0836 1.4137 1.0756 1.0745 1.4020 1.2319 1.3994 1.4989 1.1825 1.1500
Thr-Thr-Asp 0.8103 0.7789 0.7908 0.7758 0.7302 0.7829 0.7737 0.8813 0.7584 0.7136 0.7635 0.8212 0.7187 0.7943 0.9104 0.7581 0.8759 0.8685 0.9042 0.9069 2.2961 1.4524 0.8979 0.9656 2.4300 0.8969 0.8971 0.9481 2.0366 1.1772 0.9370 0.9478
THTC 1.1952 1.5771 1.6262 1.4429 1.2871 1.3454 1.0967 1.0056 2.8197 0.8684 1.2273 1.0737 1.6053 1.1751 1.1670 1.2904 0.8779 0.5327 0.7208 0.7529 0.8949 0.5560 0.6175 0.5141 0.7475 0.4998 0.3323 0.6397 0.7768 0.4588 1.1168 1.2219
UDP-glucuronate 0.6244 0.6117 0.6610 0.4899 0.5853 0.6108 0.6950 0.6140 0.5279 0.6335 0.6531 0.6252 0.7073 0.6786 0.6465 0.6539 1.1255 1.2227 2.0673 1.2306 1.0575 1.5821 1.3292 1.8487 1.4497 1.2433 1.3073 1.4116 1.0305 1.2190 1.3997 1.4571
UMP 0.3110 0.3987 0.3484 0.5483 0.8445 0.4602 0.7962 1.7953 0.3674 0.2998 0.4212 0.6677 0.7327 0.3792 0.5341 0.9205 0.7140 2.9919 1.9406 3.0714 3.4864 2.9656 3.1787 3.2376 NA 0.1026 2.5993 0.3555 0.0636 1.6842 3.0807 3.3678
Uracil 0.8121 0.7891 0.8541 0.8032 0.7249 0.8140 0.7969 0.9072 0.8792 0.8427 0.8088 0.8497 0.7798 0.7945 0.7861 0.8449 1.1077 1.2408 1.1296 1.1947 1.1418 1.1733 1.1916 1.1957 1.3087 1.0794 1.1486 1.1815 1.1954 1.2202 1.2052 1.1985
Urate 2.4573 0.2828 0.1158 0.0895 2.7887 0.2905 0.1800 0.2217 2.8281 0.3074 0.1012 0.1557 3.8734 1.2909 0.1207 0.1681 2.6799 0.3368 0.1348 0.1825 3.1834 0.3641 0.1619 0.1429 4.1526 0.3302 0.2043 0.2506 3.0035 0.3539 0.2230 0.1278
Urocanate 1.0079 0.8450 0.8782 0.9217 0.6949 0.8750 0.8403 1.1410 1.2003 1.0170 0.8403 1.0472 1.0668 2.1597 0.9388 0.7850 0.7010 1.1183 1.0906 0.6975 0.9416 0.9739 0.8422 0.8324 1.5083 1.0968 0.9668 0.7617 0.8829 1.0296 1.0007 1.2965
Xylobiose 0.8447 0.9816 0.9716 0.8990 0.7968 0.9309 0.9262 1.0143 0.9284 0.8428 0.9968 0.9698 0.8660 1.0015 0.8777 0.9987 1.0526 1.0546 1.0000 1.0518 1.0280 1.0801 1.1684 1.0215 1.0956 1.0221 1.0758 1.0915 1.0664 1.0842 1.1105 1.1500
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):3
F3cell_type:iRBC | treatment:DHA | treatment_duration_(h):6
F4cell_type:iRBC | treatment:DHA | treatment_duration_(h):9
F5cell_type:iRBC | treatment:DMSO | treatment_duration_(h):-
F6cell_type:iRBC | treatment:DMSO | treatment_duration_(h):3
F7cell_type:iRBC | treatment:DMSO | treatment_duration_(h):6
F8cell_type:iRBC | treatment:DMSO | treatment_duration_(h):9
F9cell_type:iRBC | treatment:OZ277 | treatment_duration_(h):-
F10cell_type:iRBC | treatment:OZ277 | treatment_duration_(h):3
F11cell_type:iRBC | treatment:OZ277 | treatment_duration_(h):6
F12cell_type:iRBC | treatment:OZ277 | treatment_duration_(h):9
F13cell_type:iRBC | treatment:OZ439 | treatment_duration_(h):-
F14cell_type:iRBC | treatment:OZ439 | treatment_duration_(h):3
F15cell_type:iRBC | treatment:OZ439 | treatment_duration_(h):6
F16cell_type:iRBC | treatment:OZ439 | treatment_duration_(h):9
F17cell_type:unRBC | treatment:DHA | treatment_duration_(h):-
F18cell_type:unRBC | treatment:DHA | treatment_duration_(h):3
F19cell_type:unRBC | treatment:DHA | treatment_duration_(h):6
F20cell_type:unRBC | treatment:DHA | treatment_duration_(h):9
F21cell_type:unRBC | treatment:DMSO | treatment_duration_(h):-
F22cell_type:unRBC | treatment:DMSO | treatment_duration_(h):3
F23cell_type:unRBC | treatment:DMSO | treatment_duration_(h):6
F24cell_type:unRBC | treatment:DMSO | treatment_duration_(h):9
F25cell_type:unRBC | treatment:OZ277 | treatment_duration_(h):-
F26cell_type:unRBC | treatment:OZ277 | treatment_duration_(h):3
F27cell_type:unRBC | treatment:OZ277 | treatment_duration_(h):6
F28cell_type:unRBC | treatment:OZ277 | treatment_duration_(h):9
F29cell_type:unRBC | treatment:OZ439 | treatment_duration_(h):-
F30cell_type:unRBC | treatment:OZ439 | treatment_duration_(h):3
F31cell_type:unRBC | treatment:OZ439 | treatment_duration_(h):6
F32cell_type:unRBC | treatment:OZ439 | treatment_duration_(h):9
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