Data for (Study ST004301)
(Analysis AN007163)Values for each metabolite have been scaled by dividing by the mean across all factors Run Hierarchial cluster analysis on this study | Run Heatmap cluster analysis on this study| Metabolite | F1 | F2 | F3 | F4 | F5 | F6 |
|---|---|---|---|---|---|---|
| 10,11-Dihydroxy-N-(2-hydroxy-2-methylpropyl)-2,6,8-dodecatrienam-Ide | 0.9623 | 0.7928 | 1.0733 | 1.0549 | 1.3422 | 0.7745 |
| 10-Acetoxyligustroside | 0.9078 | 1.2078 | 0.8659 | 1.2649 | 0.7714 | 0.9822 |
| 10-Acetyligustroside | 1.0641 | 1.0920 | 0.7964 | 1.0352 | 0.7948 | 1.2175 |
| 10-Dehydrogeniposide | 0.3157 | 0.2696 | 1.7487 | 2.0334 | 1.0018 | 0.6308 |
| (10Z,14E,16E)-10,14,16-Octadecatrien-12-Ynoic Acid | 0.9326 | 1.3300 | 0.8459 | 0.8482 | 1.2560 | 0.7874 |
| 11,12-epoxy-13-hydroxy-3-Oxooleanane-28-oic acid gamma-lactone (Liquidambaric Lactone) | 1.2938 | 1.3169 | 1.9699 | 0.3572 | 0.6348 | 0.4273 |
| 11,12-O-Isopropyfidenesolajiangxin F | 0.6798 | 1.0239 | 1.2258 | 1.2884 | 0.7872 | 0.9949 |
| 1,1^-(6-hydroxy-2,3-dihydro-1H-indene-2,5-diyl)bis(ethan-1-one) | 0.7871 | 0.8588 | 0.7476 | 0.9696 | 1.1190 | 1.5180 |
| 1-18:3-LysoPC | 1.7758 | 1.8427 | 0.8600 | 0.2249 | 0.8726 | 0.4240 |
| 11-methoxy viburtinal | 0.9555 | 1.2701 | 1.5411 | 0.7866 | 0.6548 | 0.7920 |
| 11-O-Syringoylbergenin | 1.1395 | 1.3630 | 0.7556 | NA | 0.8449 | 0.8969 |
| 11-O-Vanilloylbergenin | 0.5592 | 0.9311 | 0.6918 | 1.1851 | 1.2649 | 1.3678 |
| 11β-Hydroxy-8,15-isopimaradiene-4-one(ISO3) | 1.0334 | 0.9786 | 0.9383 | 1.0801 | 0.9233 | 1.0463 |
| 1-(2,4,5-Trimethoxyphenyl)propan-1-one | 1.4210 | 0.9030 | 0.9279 | 0.8661 | 0.9701 | 0.9119 |
| 1-(2-Amino-4-methylpentanoyl)pyrrolidine-2-carboxylic acid | 0.6362 | 0.5584 | 1.3728 | 2.5619 | 0.3873 | 0.4835 |
| 12S-HHT | 0.6817 | 2.2048 | 1.9201 | 0.5483 | 0.3687 | 0.2764 |
| 13,28-Epoxyolean-11-en-3-one | 1.7594 | 2.1426 | 0.4616 | 0.3890 | 0.9431 | 0.3043 |
| 1-(3,4-dihydroxy-S-methoxypheny)-7-(4-hydroxyphenyl)hept-1-ene-3,5-diol | 0.8235 | 1.0390 | NA | 0.7412 | NA | 1.3963 |
| 1,3-O-Dicaffeoylglycerol | 1.4282 | 1.3001 | 0.7925 | 0.7294 | 0.7852 | 0.9646 |
| 14,15-Dehydrocrepenynic acid* | 0.9601 | 1.5442 | 0.7461 | 1.0953 | 0.6303 | 1.0240 |
| 14-Amino-15-hydroxy-11-methylpentadecanoic acid | 1.0229 | 0.9217 | 0.9091 | 1.1439 | 0.8952 | 1.1072 |
| 1,4-Benzodioxin-6-propanol | 0.9498 | 0.9481 | 0.9642 | 1.0579 | 0.9209 | 1.1591 |
| (14-Ethyl-4,6,19-trimethoxy-9,11-dioxa-14-azaheptacyclo[10.7.2.12,5.01,13.03,8.08,12.016,20]docosan-21-yl)acetate | 1.1300 | 0.9535 | 0.6914 | 0.8860 | 1.3745 | 0.9647 |
| 1-(4-hydroxyphenyl)-7-(4-hydroxy-3-methoxyphenyl)-4-ene-3-heptanone | 1.0610 | 0.7114 | 1.0944 | 1.6324 | 0.7803 | 0.7206 |
| 14-Nor-β-patchoulane-1(5)-ene-2,4-dione | 1.0494 | 0.5970 | 2.0759 | 0.2923 | 1.4470 | 0.5384 |
| 15(R)-Hydroxylinoleic Acid | 0.8648 | 1.3443 | 0.8565 | 0.5638 | 1.5858 | 0.7847 |
| 16-oxo-21β-hydroxyserrat-14-en-3α-yl acetate | 1.1566 | 0.5507 | 1.6343 | 0.5121 | 1.9291 | 0.2171 |
| 1,7-Bis-(3,4-dihydroxyphenyl)-5-methoxy-3-heptanone | 1.3182 | 1.1332 | 0.4167 | 0.6664 | 1.0869 | 1.3786 |
| 1,7-bis(4-hydroxy-3-methoxyphenyl)hept-1-ene-3-ol | 1.0957 | 0.9585 | 1.4256 | 1.1603 | 0.7884 | 0.5715 |
| 1,7-Dimethylxanthine | 1.2920 | 1.1974 | 1.0134 | 1.1796 | 0.5546 | 0.7630 |
| 1,8-dimethyl-1,3a,8,8a-tetrahydropyrrolo[2,3-b]indole | 0.8482 | 0.7862 | 0.7012 | 1.1094 | 1.1091 | 1.4460 |
| 19-Hydroxy-2-(hydroxymethyl)-A(1)-norursa-2,12-dien-28-oic acid (Coleonolic acid) | 2.0963 | 0.6414 | 0.9804 | 0.1737 | 1.5947 | 0.5136 |
| 19-Hydroxy-3-oxo-24-norolean-12-en-28-oic acid | 1.7815 | 0.6653 | 1.7048 | 0.4413 | 1.1728 | 0.2343 |
| 1-(9Z,12Z-Octadecadienoyl)-Sn-Glycero-3-Phosphocholine | 1.1559 | 1.1278 | 1.1225 | 0.6280 | 0.9988 | 0.9672 |
| (1-Acetyl-5-methoxyindoline-2-yl)acetonitrile | 0.9610 | 0.9922 | 0.9260 | NA | 1.1207 | NA |
| 1-Aminocyclopropane-1-carboxylic acid* | 1.1444 | 0.8819 | 0.9336 | 1.2960 | 0.7606 | 0.9835 |
| 1-beta-D-Arabinofuranosyluracil | 0.8238 | 0.7802 | 1.7640 | 1.3848 | 0.5412 | 0.7060 |
| 1-Cis-5-cis-germacrone | 1.4033 | 0.6669 | 2.2437 | 0.2240 | 1.1006 | 0.3615 |
| 1-Methoxy-indole-3-acetamide | 1.7538 | 0.7752 | 0.9866 | 1.3249 | 0.4541 | 0.7055 |
| 1-Methyladenine | 1.1701 | 0.9444 | 0.8818 | 0.9902 | 1.0845 | 0.9290 |
| 1-Methylguanidine | 1.1190 | 0.8716 | 1.2490 | 1.3532 | 0.6343 | 0.7729 |
| 1-Methylhistidine | 0.8686 | 1.0671 | 1.0981 | 0.7980 | 1.2083 | 0.9598 |
| 1-Methylxanthine | 0.9863 | 1.1508 | 0.8395 | 1.0653 | 0.7677 | 1.1904 |
| 1-Monomyristin | 1.1098 | 1.0851 | 1.0693 | 1.1469 | 0.7477 | 0.8412 |
| 1-O-Caffeoylglycerol | 1.3148 | 1.1491 | 0.4906 | 0.9946 | 0.6414 | 1.4095 |
| 1-Oleoyl-Sn-Glycerol | 0.8919 | 0.6493 | 1.3962 | 1.6887 | 0.4155 | 0.9584 |
| 1-((Pentanoyl)phloroglucinyl]-β-D-glucopyranoside | 1.0500 | 1.0339 | 0.9132 | 0.9423 | 0.9112 | 1.1495 |
| 1-phenyl-7-(4-hydroxyphenyl)-4-ene-3-heptanone | 1.1191 | 1.0249 | 1.0035 | 1.0915 | 1.1417 | 0.6193 |
| (1R,2R)-2-hydroxy-1-methyl-2,3-dihydro-1H-indene-5-carboxylic acid | 1.1488 | 0.9572 | 1.1058 | 1.0444 | 0.8102 | 0.9336 |
| (1S,3R,3a1S,8R,10S,11aS)-1,5,10-trihydroxy-3,3a1,8,11a-tetramethyl-2,11-dioxohexadecahydrodibenzo[de,g]chromen-4-yl acetate | 0.9763 | 0.6528 | 1.3896 | 1.6308 | 1.0279 | 0.3227 |
| 1-Stearidonoyl-Glycerol | 0.6979 | 2.8806 | 0.5598 | 0.7652 | 0.3684 | 0.7281 |
| 1-α-Linolenoyl-glycerol* | 1.5350 | 1.2595 | 0.4940 | 0.9718 | 0.8782 | 0.8614 |
| 1β-hydroxy-β-cyperone | 1.4240 | 0.2957 | 3.1604 | 0.2957 | 0.6943 | 0.1299 |
| 2,19-Dihydroxy-3-oxo-24-norolean-12-en-28-oic acid* | 1.7175 | 1.2454 | 1.2870 | 0.1102 | 1.2512 | 0.3888 |
| 2,3,19-Trihydroxy-24-oxo-olean-12-en-28-oic acid | 1.3159 | 0.5550 | 1.8456 | 0.1691 | 1.9511 | 0.1633 |
| 2,3,19-Trihydroxyolean-12-en-28-oic acid (Arjunic acid) | 1.6154 | 1.1206 | 1.4261 | 0.1149 | 1.4340 | 0.2889 |
| 2,3,4-Trihydroxybutyl 6-O-(E)-caffeoyl-β-D-glucopyranoside | 0.8570 | 1.3347 | 0.6950 | 1.1560 | 0.8825 | 1.0748 |
| 2,3-cis-4-(3,4-hydroxyphenyl)-2,3-dihydro-2,3-dihydroxyphenalen-1-one | 0.6408 | 0.4316 | 0.9496 | 2.7851 | 0.7435 | 0.4494 |
| 2,3-Dihydro-1,4-naphthoquinone | 0.9578 | 0.9619 | 0.9611 | 1.0349 | 0.9305 | 1.1538 |
| 2,3-Dihydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)propan-1-one | 0.8556 | 2.7221 | 0.7220 | 0.5753 | 0.6395 | 0.4855 |
| 2,3-Dihydroxylup-20(29)-en-28-oic acid | 1.9593 | 0.6868 | 1.5260 | 0.1203 | 1.3746 | 0.3330 |
| 2,3-Dihydroxyurs-12,18-dien-28-oic acid (Goreishic Acid I) | 2.2071 | 0.6926 | 1.0944 | 0.2067 | 1.3156 | 0.4835 |
| 2,3-Dihydroxyurs-12-en-29-oic acid (Maslinic acid) | 1.7729 | 0.5572 | 1.2604 | 0.2185 | 2.0265 | 0.1645 |
| 2,4,2^,4^-tetrahydroxy-3^-prenylchalcone | 0.6844 | 0.7567 | 1.4745 | 1.3187 | 1.1169 | 0.6488 |
| 2-(4-((6,7-dihydroxy-5-methoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl)phenoxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol | 0.8182 | 0.6427 | 1.1526 | 1.2173 | 1.2013 | 0.9679 |
| 2,4,6-Trihydroxybenzoic acid | 1.0123 | 1.0672 | 0.7512 | 0.5182 | 1.3825 | 1.2686 |
| 2,4,6-Trihydroxybenzophenone | 1.0613 | 0.9879 | 0.6165 | 0.7780 | 1.0284 | 1.5279 |
| 2,4-Dihydroxy-6-methoxyacetophenone | 1.2140 | 1.0422 | 0.9883 | 0.8763 | 0.7387 | 1.1405 |
| 2^,4^-Dimethylacetophenone | 1.0543 | 1.0027 | 0.8258 | 1.0933 | 1.0373 | 0.9866 |
| 2,4-Hexadienoic acid | 0.6365 | 0.5994 | 1.3503 | 1.0975 | 0.9675 | 1.3487 |
| 24-Hydroxy-3-oxooleana-11,13(18)-dien-28-oic acid | 1.3274 | 0.7334 | 2.2727 | 0.1797 | 1.2725 | 0.2143 |
| 2-(4-Methoxyphenethyl)-5,6:7,8-Diepoxy-5,6,7,8-Tetrahydrochromone | 0.9049 | 0.7945 | 1.1035 | 1.1561 | NA | 1.0410 |
| 2,5-Bis(1,3-benzodioxol-5-yl)-3,4-dimethyloxolane-2,3-diol | 0.6355 | 0.5543 | 2.2488 | 0.8333 | 1.4177 | 0.3105 |
| 2,5-Dimethoxybenzoquinone* | 0.6314 | 0.9321 | 0.6920 | 0.8830 | 0.9705 | 1.8909 |
| 2,5-Dimethyl-7-hydroxychromone | 0.8942 | 0.9790 | 0.9606 | 0.9471 | 1.0574 | 1.1617 |
| 2,5-Dimethyl pyrazine | 1.1915 | 1.4084 | 0.7818 | 0.5972 | 0.9003 | 1.1208 |
| 2,6-Diaminooimelic acid | 0.8121 | 1.0111 | 1.4106 | 1.1298 | 0.7601 | 0.8763 |
| 2,6-Dihydroxy-4-isopropylphenyl-1-O-β-D-glucoside | 1.1667 | 1.3233 | 0.5869 | 0.8469 | 1.0192 | 1.0571 |
| 2,6-Dimethoxy-1,4-benzoquinone* | 0.9868 | 0.6225 | 0.9499 | 0.9102 | 1.2025 | 1.3282 |
| 2,6-Dimethoxy-4-(7-methoxy-3-methyl-5-prop-1-enyl-2,3-dihydro-1-benzofuran-2-yl)phenol* | 1.0373 | 2.3698 | 0.9234 | 1.2039 | 0.2374 | 0.2282 |
| 2,6-Dimethoxypydroquinone-1-O-glucoside | 0.8337 | 0.9608 | 0.7192 | 0.8054 | 1.2988 | 1.3821 |
| 2,6-Dimethyl-6-hydroxy-2,7-octadienyl-β-D-glucoside (Betulalbuside A; Betulabuside A) | 0.6529 | 0.9656 | 0.7122 | 1.0793 | 1.1449 | 1.4451 |
| 2-(Acetylamino)-3-phenyl-2-propenoic acid | 1.4681 | 1.4332 | 0.8798 | 0.7103 | 0.8450 | 0.6637 |
| 2-amino-3-(1H-pyrazol-1-yl)propanoic acid | 0.8594 | 0.9883 | 0.7697 | 2.2495 | 0.4168 | 0.7163 |
| 2-Amino-3-methoxybenzoic acid | 0.9850 | 0.9374 | 1.4202 | 0.9491 | 0.8558 | 0.8523 |
| 2-Amino-7-methyltridecan-1-ol* | 0.9589 | 1.0387 | 0.9907 | 0.9889 | 1.0609 | 0.9619 |
| 2-Aminoadenosine | 0.7812 | 1.0658 | 0.7658 | 0.8841 | 1.2386 | 1.2645 |
| 2-aminodocoSane-1,5,7,21-tetraol | 1.0661 | 0.9477 | 1.0045 | 0.9997 | 1.0033 | 0.9787 |
| 2-aminodocoSane-1,6,19,20,21-pentaol | 1.0093 | 0.9981 | 0.9390 | 1.0045 | 1.0508 | 0.9981 |
| 2-Aminododecane-1,3,4-triol | 1.0578 | 0.9416 | 0.9333 | 1.0797 | 0.9265 | 1.0612 |
| 2-Aminododecane-1,4-diol | 1.0858 | 0.9960 | 0.9545 | 1.0006 | 1.0075 | 0.9557 |
| 2-Aminohexadecane-1,16,16-triol | 1.0559 | 0.9368 | 0.9648 | 1.0826 | 0.9490 | 1.0109 |
| 2-Aminohexadecane-1,4-diol* | 1.0371 | 1.0183 | 0.9688 | 0.9982 | 1.0147 | 0.9629 |
| 2-Aminohexadecane-1,5,15-triol | 0.9311 | 1.0343 | 0.9908 | 0.9926 | 1.0036 | 1.0475 |
| 2-Aminohexadecane-1,5,6-triol | 1.0819 | 0.9564 | 0.9615 | 1.0926 | 0.9093 | 0.9982 |
| 2-AminoicoSane-1,5,19-triol | 1.0415 | 1.0364 | 0.9638 | 0.9804 | 1.0022 | 0.9758 |
| 2-AminoicoSane-1,5,7,19-tetraol | 0.9157 | 1.0272 | 1.0375 | 1.0573 | 0.9939 | 0.9683 |
| 2-AminoicoSane-1,6,18,19,20-pentaol | 1.0282 | 0.9312 | 1.0587 | 1.0836 | 0.9367 | 0.9617 |
| 2-Aminoisobutyric acid* | 1.1581 | 1.0700 | 0.8433 | 1.1442 | 0.7371 | 1.0473 |
| 2-Aminooctadecane-1,16,18,18-tetraol | 1.0363 | 0.9448 | 1.0105 | 1.1020 | 0.9293 | 0.9770 |
| 2-Aminooctadecane-1,4-diol | 1.0214 | 1.0249 | 0.9751 | 0.9896 | 1.0110 | 0.9780 |
| 2-Aminooctadecane-1,5,7,17-tetraol | 1.0409 | 0.9139 | 0.9733 | 1.1027 | 0.9614 | 1.0077 |
| 2-Aminophenol | 0.7929 | 1.2356 | 1.1193 | 0.9628 | 0.9525 | 0.9369 |
| 2-Aminopurine | 1.7112 | 1.2723 | 0.5800 | 0.8702 | 0.5075 | 1.0588 |
| 2-Aminotetradecan-1-ol* | 0.9388 | 1.0750 | 1.0092 | 0.9849 | 1.0382 | 0.9539 |
| 2-Aminotetradecane-1,11,13-triol | 1.0439 | 1.0036 | 0.9395 | 1.0014 | 1.0569 | 0.9547 |
| 2-Aminotetradecane-1,4-diol* | 0.9973 | 1.0203 | 0.9705 | 0.9977 | 1.0420 | 0.9722 |
| 2-Aminotetradecane-1,5,11-triol | 1.0699 | 0.9462 | 0.9221 | 1.1076 | 0.9221 | 1.0321 |
| 2-Aminotetradecane-1,5,13-triol | 1.0589 | 0.9724 | 0.9418 | 1.0128 | 1.0414 | 0.9727 |
| 2-Aminotetradecane-1,5,7,11-tetraol | 1.1267 | 0.9302 | 0.9058 | 1.0884 | 0.9551 | 0.9939 |
| 2-benzoyl-4-[(2r)-1-hydroxy-7-methyl-3-methylideneoct-6-en-1-yl]benzene-1,3,5-triol | 1.2526 | 0.9194 | 1.1284 | 1.0978 | 0.9649 | 0.6369 |
| 2^-Deoxyadenosine* | 0.9386 | 0.5427 | 1.7170 | 1.1075 | 1.0651 | 0.6290 |
| 2^-Deoxyadenosine-5^-monophosphate | 1.0874 | 0.8719 | 1.1337 | 0.6500 | 1.2144 | 1.0426 |
| 2^-Deoxycytidine | 0.8034 | 0.9091 | 0.7630 | 0.8862 | 1.4055 | 1.2328 |
| 2^-Deoxyinosine-5^-monophosphate | 1.1813 | 0.8475 | 1.0461 | 0.9199 | 1.2487 | 0.7565 |
| 2-(Dimethylamino)guanosine* | 1.0046 | 0.8452 | 1.8628 | 0.9851 | 0.6103 | 0.6920 |
| (2E)-3-(1-Hydroxy-2,6,6-trimethyl-4-oxo-2-cyclohexen-1-yl)-2-propenoic acid | 1.3081 | 1.1721 | 0.8598 | 0.6578 | 1.1447 | 0.8574 |
| (2e)-3-(4-hydroxyphenyl)-n-[2-(4-hydroxyphenyl)ethyl]prop-2-enimidic acid* | 1.0393 | 0.6486 | 1.3553 | 0.3253 | 2.0924 | 0.5392 |
| 2-Feruloyl-sn-glycerol | 0.7049 | 0.5244 | 3.0133 | 0.4680 | 0.7767 | 0.5127 |
| 2-Hydroxymethyl-A(1)-nor-19,24-dihydroxyurs-2,12-dien-28-oic acid (Rosamultic acid)* | 2.0691 | 0.7018 | 1.7257 | 0.1639 | 1.1249 | 0.2146 |
| 2-Methoxy-4-ethenylphenol | 0.9355 | 1.0033 | 0.7564 | 1.0331 | 1.0412 | 1.2304 |
| 2-Methyl-3-hydroxyindan-1-one | 0.8067 | 0.9334 | 0.9026 | 0.9713 | 1.0833 | 1.3026 |
| 2-Methyl-5-acetonyl-7-hydroxychromone glucoside | 1.0342 | 0.9507 | 0.9821 | 1.0769 | 1.0603 | 0.8959 |
| 2^-O-Methyladenosine | 0.6622 | 0.5382 | 1.5834 | 1.8525 | 0.6894 | 0.6743 |
| (2-Oxo-5-methoxyindoline-1-yl)carbamic acidmethylester | 1.3476 | 1.2661 | 0.4941 | 0.6137 | 0.9827 | 1.2958 |
| 2-Palmitoylglycerol* | 0.9258 | 0.6641 | 1.6957 | 0.9375 | 1.2736 | 0.5032 |
| 2-Pentyl-3-phenyl-2-propenal | 1.0876 | 0.9567 | 0.9468 | 1.0917 | 1.0782 | 0.8390 |
| 2-Phenylaminoadenosine | 0.6039 | 0.7964 | 1.2531 | 0.7208 | 1.7064 | 0.9194 |
| 2-Phenylethy-1-O-β-D-glucoside | 1.4173 | 0.8262 | 0.9881 | 1.1056 | 1.0656 | 0.5973 |
| (2R)-3-(3^,4^,5^-trimethoxyphenyl)-1,2-propanediol | 0.4303 | 0.7159 | 0.1406 | NA | 3.5878 | 0.1254 |
| (2R)-4^,7-dihydroxy-5-methoxy-8-methylflavanone | 1.2429 | 1.0280 | 0.6517 | 0.7886 | 1.0866 | 1.2023 |
| (2S)-2-[(1R)-1-carboxyethoxy]propanoic acid | 1.0386 | 1.2256 | 0.8631 | 0.7552 | 1.0952 | 1.0223 |
| (2s)-2-[(5s)-5-hydroxyhexa-1,3-dien-1-yl]-5-methoxy-4-[(3r)-3-methoxybutanoyl]-2-methylfuran-3-one | 0.7352 | 0.7619 | 1.9040 | 1.6768 | 0.4449 | 0.4772 |
| (2S)-5,7-dimethoxy-3^,4^-methylenedioxyflavanone | 0.9446 | 1.0036 | 1.1046 | 1.0474 | 1.2323 | 0.6675 |
| 2-tert-Butyl-1,4-benzoquinone | 0.8825 | 1.1592 | 0.9061 | 0.8974 | 1.3069 | 0.8479 |
| 2-α-Linolenoyl-glycerol* | 1.6074 | 1.2367 | 0.5786 | 1.1301 | 0.6792 | 0.7680 |
| 30-Hydroxyfraxinellone | 1.0300 | 1.4929 | 0.3169 | 1.0452 | 0.9905 | 1.1245 |
| 3,12-Dihydroxyoleanan-28,13-olide (Oleanderolide) | 1.6392 | 0.6026 | 1.8171 | 0.2241 | 1.5287 | 0.1883 |
| 3,3^-Bis(3,4-dihydro-4-hydroxy-6,8-dimethoxy-2H-1-benzopyran) | 1.4325 | 1.4428 | 0.7083 | 1.0672 | 0.8558 | 0.4933 |
| 3-(3^-Hydroxybutyl)-2,4,4-trimethylcyclohexa-2,5-dienone glucoside* | 1.7795 | 1.1424 | 0.3669 | 0.6817 | 1.2593 | 0.7702 |
| 3-(3-Hydroxyphenyl)-propionic acid | 1.2250 | 0.9993 | 0.7098 | 0.8482 | 1.0766 | 1.1412 |
| 3,4,5,19-tetramethoxy-9,10-dimethyl-15,17-dioxatetracyclo[10.7.0.02,7.014,18]nonadeca-1(19),2,4,6,12,14(18)-hexaen-11-ol | 1.4121 | 1.1439 | 0.8355 | 0.5661 | 1.1059 | 0.9365 |
| 3,4,5-trihydroxy-5-[4-(prop-2-enoyloxymethyl)phenoxy]oxane-2-carboxylic acid | 0.7578 | 0.6739 | 0.8041 | 1.1399 | 1.7600 | 0.8643 |
| 3,4,5-Trihydroxy-6-[1-(4-methoxyphenyl)pentan-3-yloxy]oxane-2-carboxylic acid* | 1.1622 | 1.2636 | 0.9519 | 0.9463 | 0.7342 | 0.9417 |
| 3,4,5-Trihydroxy-6-[4-(4-methyl-3-oxopentyl)phenoxy]oxane-2-carboxylic acid | 1.0610 | 1.4987 | 0.5515 | 0.3888 | 1.2135 | 1.2865 |
| 3,4,5-trihydroxy-6-(4-octylphenoxy)oxane-2-carboxylic acid | 1.2724 | 0.9089 | 1.1736 | 1.0266 | 1.0266 | 0.5919 |
| 3,4-Dehydro-DL-proline | 1.1591 | 0.8650 | 1.8877 | 0.8368 | 0.7715 | 0.4799 |
| 3,4^-Dihydroxy-3^,5^-dimethoxypropiophenone | 1.1182 | 0.8502 | 1.4075 | 0.4038 | 1.8310 | 0.3893 |
| 3,4-Dihydroxy-L-phenylalanine (L-Dopa) | 0.7058 | 0.6135 | 0.8379 | 0.9446 | 1.5978 | 1.3005 |
| 3,4-dihydroxy phenylethanol | 1.2726 | 1.2308 | 1.2840 | 0.5590 | 0.9293 | 0.7243 |
| 3,4^-Dihydroxypropiophenone glucoside | 0.8446 | 0.8992 | 0.7676 | 1.3751 | 0.9986 | 1.1150 |
| 3,4-Dimethoxybenzoic acid; Veratric acid | 0.7624 | 1.0479 | 1.3765 | 1.2422 | NA | 0.5710 |
| 3-(4-hydroxy-2,6-dimethoxyphenyl)-1-(4-methoxyphenyl)propan-1-one | 0.9618 | 0.9846 | 0.9430 | 0.6753 | 1.2494 | 1.1859 |
| 3-(4-hydroxybenzene)-5,7-dihydroxy-6-methoxychroman-4-one malonyl glucoside | 0.9844 | 1.0495 | 0.6990 | 0.7318 | 1.2394 | 1.2959 |
| 3-(4-hydroxyphenyl)-3-oxopropyl beta-D-glucopyranoside | 0.8615 | 0.8568 | 0.6925 | 1.3145 | 0.8865 | 1.3883 |
| 3-(4-methoxyphenyl)propyl methyl 4-O-methyl-alpha-d-glucopyranosiduronate* | 1.0229 | 1.0808 | 0.5897 | 0.7448 | 0.9391 | 1.6228 |
| 3,4-Methylenedioxycinnamaldehyde | 0.9981 | 1.0226 | 0.9051 | 1.0193 | 1.0356 | 1.0193 |
| 3,4-Methylenedioxy cinnamyl alcohol* | 0.9036 | 1.2918 | 1.0133 | 1.3566 | 0.8307 | 0.6040 |
| 3,4-O-Dicaffeoylquinic Acid Methyl Ester* | 1.0838 | 0.9976 | 0.9604 | 1.1080 | 1.0237 | 0.8266 |
| 3,4-Secodammara-4(28),20,24-trien-3,26-dioic acid | 1.9543 | 0.9116 | 1.0562 | 0.2086 | 1.4954 | 0.3740 |
| 3^,5,5^,7-Tetrahydroxyflavanone-7-O-glucoside* | 0.9575 | 1.3416 | 0.6903 | 0.8549 | 0.9160 | 1.2396 |
| 3,5,7,4^-Tetrahydroxy-Coumaronochromone | 0.8057 | 1.1736 | 1.3051 | 0.8351 | 1.0263 | 0.8540 |
| 3,5-Diacetyltambulin | 0.9078 | 1.0976 | 0.7405 | 1.2264 | 0.8862 | 1.1415 |
| 3,5-Dihydro-2H-Furo[3,2-C]Quinolin-4-One* | 1.9271 | 0.8547 | 0.9276 | 1.2362 | 0.4105 | 0.6439 |
| 3,5-Dimethoxy-4-hydroxybenzaldehyde | 0.7747 | 0.5630 | 3.2814 | 0.3482 | 0.6592 | 0.3736 |
| 3,5-Dimethyl-2,3-dihydrobenzofuran | 0.8860 | 0.8861 | 1.3235 | 1.0504 | 1.0629 | 0.7909 |
| 3,5-O-Dicaffeoylquinic Acid Methyl Ester* | 1.0838 | 0.9976 | 0.9604 | 1.1080 | 1.0237 | 0.8266 |
| 3,7,11-trimethyl-2-oxa-6,10,13-triazatricyclo[7.3.1.05,13]tridecane | 0.9819 | 0.9307 | 0.9529 | 1.0032 | 1.1019 | 1.0293 |
| 3,7-Dihydroxychromen-4-one | 1.1653 | 0.7290 | 0.9409 | 1.0222 | 1.0969 | 1.0458 |
| 3-(Allylsulphinyl)-L-alanine | 0.9156 | 0.9718 | 1.0641 | 0.8431 | 1.1362 | 1.0692 |
| 3-amino-2-naphthoic acid* | 1.8399 | 0.8926 | 1.0197 | 1.2197 | 0.3663 | 0.6617 |
| 3-Chloroaniline | 0.7469 | 1.0506 | 0.2450 | 0.6024 | 1.5649 | 1.7901 |
| 3-(Cyclohexen-1-yl)-2-hydroxy-4a,5-dimethyl-2,3,4,5,6,7,8,8a-octahydronaphthalen-1-one* | 0.8281 | 1.5649 | 0.7640 | 1.1722 | 0.6503 | 1.0206 |
| 3-Deaza-2^-deoxyadenosine | 0.6765 | 0.7065 | 0.5541 | 0.7735 | 1.5267 | 1.7627 |
| 3-Dehydrosphinganine | 0.2522 | 0.5230 | 0.8197 | 3.9331 | 0.2352 | 0.2368 |
| 3^-Deoxy-4-O-methylsappanol | 0.9977 | 0.8929 | 1.3689 | 1.0170 | 0.7349 | 0.9886 |
| 3-Ethyl-7-hydroxyphthalide | 0.9252 | 0.9418 | 0.8787 | 1.2014 | 1.0484 | 1.0046 |
| 3-Hydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)propan-1-one | 1.1008 | 1.1093 | 1.3193 | 0.7645 | 1.0633 | 0.6427 |
| 3-Hydroxy-1-methoxy-9,10-anthraquinone | 1.0578 | 1.2712 | 0.7872 | 0.8643 | 1.0810 | 0.9385 |
| 3-hydroxy-1-methylpyrrolidin-2-one* | 0.7319 | 0.7883 | 1.4990 | 1.5231 | 0.5856 | 0.8722 |
| 3-Hydroxy-23-oxoolean-12-en-28-oic acid (Gypsogenin) | 1.4917 | 0.6958 | 1.9379 | 0.5148 | 0.9703 | 0.3896 |
| 3-Hydroxy-3,7,11-trimethyldodeca-1,6E,10-trien-9-yl isobutyrate | 0.9135 | 1.2454 | 0.7702 | 0.8732 | 1.2832 | 0.9145 |
| 3-Hydroxy-4H-pyran-4-one | 0.9281 | 0.9316 | 0.9999 | 0.9655 | 1.0707 | 1.1041 |
| 3-Hydroxyanthranilic acid | 1.0923 | 0.7201 | 0.9873 | 1.0146 | 1.1043 | 1.0813 |
| 3-hydroxybenzaldehyde | 1.2115 | 1.0116 | 1.0487 | 0.8979 | 0.9311 | 0.8991 |
| 3-Hydroxy-beta-ionol 3-(6^^-Malonyl)Glucoside | 1.4454 | 0.7999 | 1.2607 | NA | 0.7153 | 0.7787 |
| 3-Hydroxy-L-phenylalanine* | 0.7342 | 0.9129 | 0.8434 | 1.9379 | 0.6092 | 0.9624 |
| 3-hydroxylup-12(13),20(29)-diene | 1.7513 | 0.6655 | 1.6901 | 0.2557 | 1.4499 | 0.1875 |
| 3-Hydroxyolean-12-ene-28,29-dioic acid (Serratagenic Acid)* | 1.3861 | 0.8750 | 1.5801 | 0.1520 | 1.7602 | 0.2465 |
| 3-Hydroxyurs-5(6),12,18(19)-trien-28-oic acid (Uncargenin B) | 1.7184 | 0.8450 | 1.5054 | 0.0926 | 1.5731 | 0.2654 |
| 3-Indoleacrylic acid* | 2.0170 | 0.7210 | 1.0513 | 1.1699 | 0.3807 | 0.6601 |
| 3-Indolepropionic acid | 1.6119 | 0.7201 | 1.0020 | 1.1572 | 0.5088 | NA |
| 3^-Methoxy-6^^-O-xylosyl puerarin | 1.2697 | 1.0869 | 0.7643 | 0.4658 | 1.4446 | 0.9687 |
| 3-Methylxanthine | 1.0378 | 1.1155 | 0.9148 | 1.0244 | 0.7545 | 1.1530 |
| 3-O-Acetylnarcissidine | 1.1668 | 1.2148 | 1.6327 | 0.6802 | 1.0049 | 0.3007 |
| 3-O-caffeoyl quininyl arabinoside | 1.1328 | 0.8225 | 0.8614 | 0.9963 | 1.0476 | 1.1394 |
| 3-O-Cinnamoyl-4,6-(S)-HHDP-β-D-glucose | 1.2428 | 1.0277 | 0.7164 | 0.6488 | 1.4664 | 0.8979 |
| 3-Oxooleana-11,13(18)-dien-28-oic acid | 1.3116 | 0.5604 | 1.5571 | 0.1906 | 1.9048 | 0.4755 |
| 3-Oxo-α-ionol-β-D-glucoside* | 0.8135 | 1.0528 | 0.8795 | 1.2054 | 1.1421 | 0.9066 |
| 3-Prenyl-4,2^,4^-Trihydroxychalcone | 0.7491 | 0.8532 | 1.0604 | 1.6860 | 1.0168 | 0.6345 |
| (3r,4r)-3-(2h-1,3-benzodioxol-5-ylmethyl)-4-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-2-one* | 0.5304 | 0.5082 | 2.0515 | 1.6253 | 1.0007 | 0.2840 |
| (3R,4R)-p-Menth-1-ene-3,4-diol-3-O-β-D-glucoside* | 0.7417 | 0.6591 | 0.8161 | 0.9306 | 1.1259 | 1.7265 |
| (3R,4S,6R)-p-Menth-1-ene-3,6-diol-3-O-β-D-glucoside* | 1.0356 | 0.7143 | 1.5029 | 0.9371 | 0.8101 | NA |
| (3S)-1,3-dihydroxy-2,3,3a,4-tetrahydropyrrolo[2,1-b]quinazolin-9(1H)-one | 1.1305 | 1.1241 | 0.8884 | 0.8325 | 1.1471 | 0.8773 |
| 3α,20β,21β-trihydroxy-16-oxo-serrat-14-en-24-oic acid | 0.7863 | 0.5455 | 2.1282 | 0.5299 | 1.6692 | 0.3408 |
| 3ξ-(1ξ-hydroxyethyl)-7-hydroxy-1-isobenzofuranone | 1.1804 | 1.1334 | 0.7968 | 0.7185 | 1.0508 | 1.1201 |
| 4,4^-dihydroxy-2^-methoxychalcone | 0.9538 | 0.8423 | 0.9880 | 1.3591 | 0.8193 | 1.0375 |
| 4,6-Dihydroxyquinoline | 0.9002 | 0.8871 | 0.8669 | 0.9751 | 1.1390 | 1.2317 |
| 4,6-dimethoxy-2-methoxyphenyl-1-O-beta-D-glucopyranoside | 0.7657 | 0.9925 | 0.6621 | 0.6976 | 1.3463 | 1.5358 |
| 4-((6S)-6-(furan-3-yl)-3-(hydroxymethyl)piperidin-2-yl)-2-methylbutan-2-ol | 0.7670 | 0.7940 | 1.4636 | 1.7296 | 0.7392 | 0.5065 |
| 4,8-Dihydroxy Naphthol-1-O-glucoside | 0.9829 | 0.6302 | 1.2895 | 1.2055 | 0.9264 | 0.9654 |
| 4-Aminoindole | 1.5592 | 1.5753 | 0.3863 | 0.3721 | 0.8524 | 1.2548 |
| 4-Ethoxyphenol | 1.3577 | 1.5599 | 0.8590 | 0.4783 | 0.8165 | 0.9287 |
| 4-Guanidinobutyric acid | 1.2798 | 1.0779 | 0.9333 | 1.2240 | 0.7315 | 0.7535 |
| 4-hydroxy-2-oxo-1,2-dihydroquinoline-3-carboxylic acid | 0.9067 | 0.9016 | 1.1765 | 0.9193 | 0.9660 | 1.1299 |
| 4^-Hydroxy-5,6,7,8,3^,5^-Hexamethoxyflavone O-Glucoside | 0.9707 | 1.0444 | 0.7241 | 0.9064 | 1.0173 | 1.3370 |
| 4-Hydroxy-L-Isoleucine | 1.1798 | 0.8899 | 1.0007 | 1.2157 | 0.7341 | 0.9798 |
| 4-Hydroxy-L-phenylglycine | 0.9704 | 1.0548 | 0.8341 | 0.7966 | 1.1145 | 1.2295 |
| 4-Hydroxymandelonitrile | 0.9746 | 0.6009 | 1.1241 | 1.8005 | 0.5963 | 0.9035 |
| 4-hydroxyphenyl acrylaldehyde | 0.7157 | 1.1500 | 1.0919 | 1.1436 | 0.9007 | 0.9981 |
| 4-Hydroxysphinganine; Phytosphingosine | 0.2526 | 0.5075 | 0.7809 | 4.0000 | 0.2228 | 0.2361 |
| 4^-Methoxyacetophenone | 0.8994 | 1.5050 | 0.9683 | 0.9830 | 0.6737 | 0.9706 |
| 4-Methoxybenzaldehyde | 1.0797 | 1.0216 | 0.6554 | 1.0134 | 1.1060 | 1.1240 |
| 4-MethoxycinnaMaldehyde | 1.1082 | 1.2092 | 1.2347 | 0.8817 | 0.7996 | 0.7666 |
| 4-methyl-1,5,2,3-dioxadiazinan-2-amine | 0.5120 | 0.4013 | 1.4652 | 1.5136 | 0.8990 | 1.2088 |
| 4-Methylazetidine-2-Carboxylic acid* | 0.7389 | 0.7694 | 1.5185 | 1.5531 | 0.5784 | 0.8417 |
| 4-Nitrophenol | 0.9945 | 1.0031 | 0.9829 | 0.8612 | 1.1428 | 1.0155 |
| 4-O-Sinapoylquinic acid | 0.7949 | 0.6159 | 2.3353 | 1.1132 | 0.7043 | 0.4363 |
| 4-Pyridoxic acid-O-glucoside | 1.0673 | 0.9111 | 1.2941 | 0.8275 | 1.0411 | 0.8590 |
| (4R)-4,5-dihydroxy-alpha-tetralone | 1.1533 | 0.8967 | 0.8242 | 0.7672 | 0.8524 | 1.5062 |
| 5,2^-Dihydroxy-7,8-dimethoxyflavone glycoside* | 1.1367 | 1.1498 | 0.5514 | 0.6452 | 1.1694 | 1.3476 |
| 5,6,3^,4^-Tetrahydroxy-3,7-dimethoxyflavone-6-O-glucoside | 1.0495 | 1.0513 | 0.8372 | 0.7628 | 0.9693 | 1.3299 |
| 5,6-Dihydro-5-methyluracil | 0.8489 | 0.8741 | 0.9029 | 1.8531 | 0.7601 | 0.7609 |
| 5,7-dihydroxy-3-(4^-hydroxybenzyl)-chroman-4-one | 0.5611 | NA | 1.0359 | 1.2047 | 1.3348 | 0.8634 |
| 5,7-Dihydroxy-4-methylcoumarin | 1.1497 | 0.9554 | 1.0275 | 1.1607 | 0.6909 | 1.0157 |
| 5,7-dihydroxy-6-methyl-3-(2^,4^-dihydroxybenzyl)-chroman-4-one | 0.7944 | 1.3407 | 1.6288 | 0.4984 | 0.8562 | 0.8815 |
| 5,7-Dihydroxychromone glucoside | 1.0561 | 1.0893 | 0.5996 | 0.7892 | 1.0726 | 1.3932 |
| 5,8-Dihydroxy-1,4-naphthoquinone | 1.0514 | 1.1484 | 0.9504 | 1.0576 | 0.9211 | 0.8712 |
| 5-Acetonyl-6-glucosyl-7-hydroxy-2,6-methylchromone | 0.8765 | 0.9369 | 0.8548 | 1.1458 | 1.0655 | 1.1205 |
| 5-Acetylsalicylic acid | 0.9503 | 1.1235 | 0.9767 | 1.0923 | 0.7615 | 1.0957 |
| 5-Aminoimidazole ribonucleotide | 1.1844 | 0.8133 | 1.3688 | 0.2478 | 1.6571 | 0.7285 |
| 5-Aminolevulinic Acid* | 0.9944 | 0.9079 | 1.3983 | 1.8586 | 0.3745 | 0.4662 |
| 5^-Deoxy-5^-(methylthio)adenosine | 1.4878 | 1.1659 | 0.9189 | 1.2092 | 0.5660 | 0.6523 |
| 5^-Deoxyadenosine* | 1.1374 | 0.6150 | 1.3419 | 1.4580 | 0.9887 | 0.4589 |
| 5-ethyl-6-hydroxy-7-((7-hydroxyhexahydro-1H-pyrrolizin-1-yl)methoxy)-6-methyl-7-oxoheptanoic acid | 1.2994 | 1.3896 | 0.7619 | 1.0693 | 0.6182 | 0.8616 |
| 5-Hydroxy-1-tetralone | 1.3215 | 1.2119 | 0.8927 | 0.8185 | 0.8373 | 0.9180 |
| 5-Hydroxy-2-pyrrolidinone | 1.2295 | 0.8225 | 0.9915 | 1.1652 | 0.8292 | 0.9621 |
| 5-hydroxy-6,7-dimethoxy-2-[2-(4^-methoxyphenyl)ethyl]chromone | 0.7825 | 0.7889 | 1.1314 | 1.1137 | 1.0095 | 1.1740 |
| 5-Hydroxy-DL-tryptophan(5-HTP) | 0.7847 | 0.6855 | 0.7687 | 0.7379 | 1.3068 | 1.7164 |
| 5-hydroxyindene-1,3-dione | 1.0066 | 1.0066 | 0.9358 | 0.9880 | 0.9685 | 1.0944 |
| 5-Hydroxymethylfurfural* | 1.0967 | 1.0967 | 0.9082 | 0.8623 | 0.9506 | 1.0855 |
| 5-Hydroxytryptophol | 0.9621 | 1.0338 | 1.0342 | 0.9803 | 0.8606 | 1.1289 |
| (5-Methoxy-1,3-dimethyl-2-oxo-2,3-dihydro-1H-indol-3-yl)acetonitrile | 0.8852 | 0.8517 | 0.9025 | 1.0583 | 1.1518 | 1.1506 |
| 5-Methoxy-DL-tryptophan | 0.8142 | 1.0973 | 0.9744 | 0.7656 | 1.1196 | 1.2289 |
| 5-Methoxyfurfural* | 1.1279 | 1.1902 | 0.8584 | 0.8996 | 0.9786 | 0.9453 |
| 5^-Methoxylariciresinol | 1.1001 | 0.9019 | 0.8930 | 0.9153 | 1.1130 | 1.0766 |
| 5-Methoxysalicylic acid | 0.9034 | 0.8955 | 1.6802 | 0.7354 | 1.0925 | 0.6929 |
| 5-Methylcytosine | 1.1707 | 0.8895 | 1.4210 | 0.5949 | 1.0194 | 0.9044 |
| 5-O-β-D-Glucopyranosyl-3-hydrobenzo(b)fu-ran-2-one | 0.6750 | 0.9058 | 0.6648 | 0.6494 | 1.3623 | 1.7427 |
| (5R,6S,7R)-5-(3,4,5-Trimethoxyphenyl)-7-methyl-8-oxo-5,6,7,8-tetrahydronaphtho[2,3-d]-1,3-dioxole-6-carboxylic acidethylester | 0.8858 | 1.1100 | 0.6460 | 1.2692 | 0.8941 | 1.1949 |
| 6,7-dimethoxy-2-[2-(4^-hydroxy-3^-methoxyphenyl)ethyl]chromone* | 0.5470 | 0.5163 | 1.9794 | 1.6807 | 0.9847 | 0.2918 |
| 6,9-Dihydroxy-7-megastigmen-3-one | 0.7979 | 1.0750 | 1.5201 | 0.7893 | 0.9191 | 0.8984 |
| 6-Aminocaproic acid | 1.0881 | 0.8809 | 1.7841 | 1.6212 | 0.2773 | 0.3484 |
| 6-Chloropurine | 1.1244 | 0.8157 | 0.7809 | 1.2813 | 0.8037 | 1.1940 |
| 6-C-MethylKaempferol-3-glucoside* | 0.7789 | 0.7722 | 0.8880 | 1.0091 | 1.3082 | 1.2436 |
| 6-Deoxyfagomine | 1.1676 | 0.8617 | 1.7271 | 1.5930 | 0.2924 | 0.3582 |
| 6-hydroxy-2-[2-(3-hydroxy-4-methoxyphenyl)ethyl]chromone | 1.2390 | 1.2367 | 0.7358 | 0.9454 | 0.7871 | 1.0559 |
| 6-Hydroxy-3-oxooleana-11,13(18)-dien-28-oic acid | 1.8286 | 0.8405 | 1.0675 | 0.3723 | 1.6764 | 0.2146 |
| 6-Hydroxy-7-Methoxy-2-[2-(3^-Hydroxy-4^-Methoxyphenyl)Ethyl]Chromone | 1.2692 | 1.7071 | 0.7439 | 0.6157 | 0.8198 | 0.8444 |
| 6-Hydroxy-7-methoxycoumarin* | 0.9929 | 0.9411 | 0.8739 | 0.7602 | 1.4668 | 0.9650 |
| 6-hydroxycoumarin | 0.8173 | 0.9283 | 1.0903 | 1.0338 | 1.1431 | 0.9872 |
| 6-Hydroxy-lupane-20(29)-en-3-one-28-oic acid | 2.0101 | 1.2419 | 0.9795 | 0.3110 | 1.0878 | 0.3696 |
| 6-Hydroxypseudooxynicotine O-glucoside | 1.0226 | 1.2455 | 0.8259 | 0.8782 | 1.0965 | 0.9314 |
| 6-Methoxyquercetin-3-O-Xyloside | 1.3185 | 0.4046 | 2.5868 | 0.8371 | 0.6033 | 0.2498 |
| 6-Methylnicotinamide | 1.6607 | 0.9224 | 0.7170 | 0.7354 | 0.8022 | 1.1624 |
| 6-O-methylguanine | 0.8233 | 0.8632 | 1.6179 | 1.5815 | 0.6902 | 0.4240 |
| (6S)-2-Methyl-6-[(1R,5S)-(4-methene-5-hydroxyl-2-cyclohexen)-2-hepten-4-one | 0.5486 | 0.0700 | 4.6780 | 0.0256 | 0.5890 | 0.0887 |
| 6β-Hydroxy-8α-methoxyeremophila-1(10),7(11)-dien-12,8β-olide* | 1.2605 | 0.9878 | 0.9057 | 0.9291 | 1.0743 | 0.8426 |
| 7-[(2e)-3,7-dimethylocta-2,6-dien-1-yl]-6-methoxychromen-2-one | 0.0764 | 0.0503 | 5.6216 | 0.0664 | 0.1493 | 0.0358 |
| 7,8-Dihydrofurocoumarin | 0.2231 | 0.0685 | 5.2803 | 0.1065 | 0.2543 | 0.0673 |
| 7-Ethoxy-4-hydroxy-3,4-dihydroisochromen-1-one | 0.8872 | 0.7596 | 1.8503 | 0.7269 | 1.3588 | 0.4171 |
| 7-Hydroxy-4-chromone | 1.4825 | 1.1571 | 0.9508 | 0.4763 | 1.1399 | 0.7933 |
| 7-Hydroxycoumarin;Umbelliferone | 1.3270 | 1.0388 | 1.3938 | 1.3948 | 0.4668 | 0.3786 |
| 7-Methoxycoumarin | 0.9331 | 0.7704 | 1.5590 | 0.9238 | 0.7169 | 1.0967 |
| 7-Methylguanine | 1.0275 | 0.8502 | 1.3085 | 1.1378 | 0.7407 | 0.9354 |
| 7-oxo-11-Dodecenoic acid | 0.5584 | 0.6762 | 1.0158 | 1.4257 | 1.0243 | 1.2997 |
| (7^R,8^R)-7^8^-dihydro-7^-(5^-hydroxy-3^-methoxphenyl)-3-methoxy-8^-methyl-1-(E)-propenylbenzof-uran | 0.9839 | 0.8875 | 1.3653 | 1.2681 | 0.6671 | 0.8281 |
| (7R,8S)-9-acetyl-dehydrodiconiferyl alcohol | 0.9274 | 1.1601 | 0.9293 | 0.8103 | 0.8131 | 1.3597 |
| 8-[3-oxo-2-[(E)-pent-2-enyl]cyclopenten-1-yl]octanoic acid | 0.8613 | 1.1307 | 1.0478 | 1.1621 | 1.0969 | 0.7011 |
| 8-Azaguanine | 0.8791 | 0.7618 | 1.5822 | 1.4348 | 0.6368 | 0.7053 |
| 8-hydroxy-1,4a-dimethyl-7-(prop-1-en-2-yl)-4,4a,5,6,7,8-hexahydronaphthalen-2(3H)-one | 0.4503 | 0.3100 | 4.5520 | 0.1472 | 0.3778 | 0.1627 |
| 8-hydroxy-2,3,3,9-tetramethyl-2h-furo[3,2-c]chromen-4-one | 0.0161 | 0.0117 | 5.8558 | 0.1034 | 0.0073 | 0.0058 |
| 8-Hydroxy-5,5-dimethylpeltogynan | 0.3107 | 0.4433 | 3.7777 | 0.3703 | 0.5387 | 0.5592 |
| 8-Hydroxycoumarin | 1.9061 | 1.2341 | 0.8492 | 0.3941 | 0.6891 | 0.9272 |
| 8-hydroxyquinoline | 1.8274 | 0.7381 | 1.0349 | 1.3108 | 0.4110 | 0.6779 |
| 8-(P-Hydroxyphenyl)-Menthone | 1.9109 | 0.5784 | 1.4315 | 0.1361 | 1.5569 | 0.3863 |
| 9,12-Octadecadien-6-Ynoic Acid | 0.8266 | 1.5431 | 0.5895 | 0.8543 | 0.9902 | 1.1963 |
| 9,12-Octadecadiynoic Acid* | 0.9601 | 1.5442 | 0.7461 | 1.0953 | 0.6303 | 1.0240 |
| 9-Alpha-Ribofuranosyladenine* | 1.7260 | 1.2579 | 0.5620 | 0.9012 | 0.4941 | 1.0588 |
| 9-Oxo-10,12-Octadecadienoic Acid | 0.8944 | 1.5438 | 0.7144 | 0.4591 | 1.5454 | 0.8429 |
| 9-Oxooctadeca-10,12-Dienoic Acid | 0.6140 | 0.8769 | 1.2380 | 1.0706 | 1.3111 | 0.8894 |
| 9-O-β-D-Glucoside of 3-hydroxy-7,8-didehydro-β-ionol | 1.1525 | 1.0558 | 0.6143 | 0.4880 | 1.4838 | 1.2056 |
| 9β-hydroxyeudesma-4,11(13)-dien-12-al | 0.3959 | 0.2946 | 4.6229 | 0.1413 | 0.2775 | 0.2678 |
| Abu-Val-OH | 0.9194 | 0.8210 | 0.9562 | 1.0768 | 1.0359 | 1.1906 |
| Acacetin-7-O-glucuronide | 0.4544 | 0.4335 | 1.4666 | 1.6666 | 1.4504 | 0.5285 |
| acetophenone | 1.1712 | 0.9390 | 0.4213 | 0.6155 | 0.9495 | 1.9034 |
| Acetoxypinoresinol | 0.5109 | 1.3047 | 1.7344 | 1.2538 | 0.2874 | 0.9087 |
| Acitretin | 1.1453 | 0.7032 | 1.9293 | 0.4513 | 1.1397 | 0.6313 |
| Acteoside; Verbascoside* | 1.0952 | 0.9288 | 0.6527 | 0.4492 | 1.9792 | 0.8950 |
| Acutissimalignan B* | 0.5180 | 0.5002 | 2.0859 | 1.6418 | 0.9837 | 0.2705 |
| Adenine | 0.6534 | 0.7446 | 1.5678 | 2.3463 | 0.2906 | 0.3972 |
| Adenosine* | 1.6882 | 1.3295 | 0.5467 | 0.8771 | 0.5278 | 1.0307 |
| Adenosine 5^-monophosphate | 1.9325 | 1.2288 | 0.6535 | 0.4545 | 0.8532 | 0.8774 |
| Afzelechin (3,5,7,4^-Tetrahydroxyflavan) | 1.3647 | 1.2046 | 0.8021 | 0.6859 | 1.0907 | 0.8520 |
| Aketrilignoside B | 0.9982 | 1.1732 | 0.7657 | 0.9831 | 0.9558 | 1.1240 |
| Ala-His | 1.2857 | 1.0369 | 0.8369 | 0.7997 | 0.9188 | 1.1219 |
| Ala-Lys | 0.6436 | 1.5964 | 1.9392 | 0.6894 | 0.4970 | 0.6344 |
| alanine betaine* | 1.0832 | 1.1140 | 1.4075 | 1.4600 | 0.4011 | 0.5342 |
| Alanylproline | 1.0394 | 1.1524 | 0.8427 | 0.9453 | 1.1313 | 0.8889 |
| Ala-Ser | 0.9044 | 1.1645 | 0.5518 | 0.6604 | 1.1441 | 1.5748 |
| Allopurinol | 0.6391 | 1.1440 | 1.1264 | 1.7807 | 0.4319 | 0.8778 |
| Alnusonol | 0.9504 | 0.9657 | 0.7143 | 0.6208 | 1.5365 | 1.2124 |
| alpha-Asarone* | 0.8826 | 0.2573 | 4.1367 | 0.0885 | 0.4823 | 0.1526 |
| alpha-hexylcinnamaldehyde | 1.1163 | 0.7167 | 1.6973 | 0.9150 | 0.9058 | 0.6489 |
| Anacardic acid | 0.9067 | 0.4677 | 2.3690 | 1.4618 | 0.3218 | 0.4730 |
| Anisic acid; 4-Methoxybenzoic acid | 0.8690 | 1.1852 | 1.2477 | 0.9183 | 0.9532 | 0.8266 |
| Anisic acid-O-feruloyl glucoside | 1.1050 | 1.0295 | 0.5847 | 1.0748 | 0.9712 | 1.2349 |
| Anthranilic Acid | 1.5507 | 1.0467 | 1.0646 | 1.0322 | 0.5829 | 0.7230 |
| Antiarol; 3,4,5-Trimethoxyphenol | 1.0691 | 0.9691 | 1.1227 | 1.0499 | 0.7234 | 1.0659 |
| antioxidant | 1.1237 | 1.1663 | 0.7945 | 0.9657 | 1.1536 | 0.7962 |
| Apiosylskimmin (Adicardin) | 1.1700 | 0.8079 | 0.8689 | 0.8335 | 1.3849 | 0.9349 |
| Aquilegiolide | 0.8607 | 1.1492 | 1.5298 | 1.0874 | 0.9795 | 0.3935 |
| Arg-Gly | 1.0226 | 0.9690 | 1.4030 | 1.0246 | 0.8350 | 0.7457 |
| Arginine methyl ester* | 0.3792 | 0.4648 | 1.1863 | 3.0618 | 0.4724 | 0.4356 |
| Asn-Arg | 1.0850 | 1.1096 | 0.9985 | 0.9199 | 0.8216 | 1.0654 |
| Asn-Asn-Ala | 1.2129 | 0.8478 | 1.6818 | 0.3667 | 1.1304 | 0.7605 |
| Asp-Glu | 0.9635 | 1.1302 | 0.9194 | 1.5002 | 0.6733 | 0.8133 |
| Asp-Lys | 1.0863 | 0.8186 | 1.2354 | 1.2426 | 0.7061 | 0.9111 |
| Asp-Pro-Asn | 0.6961 | 0.5131 | 1.0636 | 1.0578 | 1.3538 | 1.3156 |
| Avicennin | 1.1684 | 1.0234 | 0.9287 | 1.1775 | 0.7681 | 0.9340 |
| Avicularin(Quercetin-3-O-α-L-arabinofuranoside) | 1.5745 | 1.3703 | 0.5764 | 0.6364 | 0.4965 | 1.3458 |
| Azetidine-2-carboxylic acid* | 1.1595 | 0.8808 | 0.9767 | 1.2659 | 0.7558 | 0.9613 |
| Bakuchicin | 1.0147 | 0.9669 | 0.8490 | 0.9451 | 1.0515 | 1.1729 |
| Balanophonin D glucoside | 1.1236 | 1.1688 | 0.7119 | 0.8077 | 1.0183 | 1.1696 |
| balanophon n | 1.3441 | 1.4566 | 0.7252 | 0.8416 | 0.7473 | 0.8851 |
| Balsaminace G | 0.7235 | 1.0357 | 1.0495 | 0.9410 | 1.0336 | 1.2167 |
| Barbituric acid;Malonylurea;2,4,6-Pyrimidinetrione | 0.4158 | 0.7528 | 1.8406 | 1.3089 | 0.8225 | 0.8595 |
| Bartsioside | 0.6296 | 0.9914 | 1.0402 | 0.7071 | 1.1609 | 1.4708 |
| Beta-asarone* | 1.6597 | 0.5884 | 0.6457 | 0.4275 | 2.1928 | 0.4859 |
| Betaine | 1.2115 | 0.9920 | 1.6186 | 0.8833 | 0.8213 | 0.4734 |
| Biotin | 1.1981 | 0.8382 | 1.5852 | 0.9797 | 0.6397 | 0.7591 |
| Bursehernin* | 0.8633 | 1.1464 | 0.8215 | 0.9406 | 1.3234 | 0.9048 |
| Butyl beta-D-glucoside | 1.1443 | 1.0941 | 0.7512 | 1.1585 | 1.0273 | 0.8247 |
| Butyl isobutyl phthalate* | 1.0302 | 0.7990 | 0.9968 | 1.0622 | 1.2818 | 0.8300 |
| Byzantionoside A* | 0.9442 | 1.1787 | 0.8472 | 0.9415 | 1.0229 | 1.0654 |
| Byzantionoside B | 1.8195 | 1.1792 | 0.9979 | 0.6318 | 0.7107 | 0.6609 |
| Caffeic aldehyde | 1.5773 | 1.0014 | 0.7880 | 1.2281 | 0.6983 | 0.7069 |
| Caffeoylcholine | 1.0150 | 1.2469 | 0.6727 | 0.8117 | 1.0600 | 1.1937 |
| Caffeyl fraxin | 0.8390 | 0.9916 | 0.8971 | 0.9237 | 0.9983 | 1.3503 |
| Calceolarioside B* | 0.5753 | 0.5869 | 1.2297 | 1.3914 | 1.5358 | 0.6808 |
| Carambolaside A | 0.6716 | 0.6801 | 1.7979 | 1.6773 | 0.6849 | 0.4882 |
| Carvylacetate | 0.7364 | 0.8794 | 1.2339 | 1.2892 | 0.8311 | 1.0300 |
| Casuarine Analogue* | 1.1656 | 0.7033 | 1.4480 | 1.0133 | 1.0249 | 0.6449 |
| catechin-3-O-α-L-rhamnopyranoside | 1.2556 | 1.0126 | 1.0235 | 0.6973 | 1.3054 | 0.7056 |
| cedrusinin | 1.6752 | 1.5208 | 0.3702 | 0.4432 | 0.7126 | 1.2780 |
| Centaurein | 1.0529 | 1.2598 | 0.8373 | 0.8416 | 0.9649 | 1.0434 |
| Chloranthatone | 1.5957 | 0.6654 | 1.2400 | 0.3074 | 1.6007 | 0.5908 |
| Choline Alfoscerate | 1.0478 | 1.6398 | 1.3185 | 0.3882 | 0.7144 | 0.8913 |
| Chrysin | 0.9869 | 1.1566 | 0.9560 | 0.9429 | 0.9706 | 0.9869 |
| Chrysin-7-O-glucoside | 0.7008 | 0.9286 | 1.5581 | 1.8366 | 0.3261 | 0.6499 |
| Chrysoeriol-5,7-di-O-glucoside | 0.7137 | 0.9377 | 0.8153 | 0.9855 | 0.9554 | 1.5924 |
| Chrysoeriol-6,8-di-C-glucoside-4^-O-glucoside | 0.4963 | 0.4881 | 1.3423 | 1.5995 | 1.0687 | 1.0052 |
| Chrysosplenoside C-O-glucoside | 0.5630 | 0.6408 | 1.4041 | 1.6748 | 0.5644 | 1.1529 |
| Cimifugin | 1.0095 | 0.7785 | 0.9449 | 1.2640 | 1.0480 | 0.9550 |
| Cinnamic acid | 0.8846 | 1.7489 | 1.3660 | 0.7224 | 0.9339 | 0.3442 |
| Cinnamoylglycine | 1.1346 | 1.2023 | 1.0138 | 0.9725 | 0.8280 | 0.8488 |
| Cirsimaritin-8-C-glucoside | 1.1334 | 0.9083 | 0.8010 | 1.0221 | 1.0472 | 1.0881 |
| cis-4-Hydroxy-D-proline* | 1.0430 | 0.9958 | 0.6647 | 0.7975 | 0.7946 | 1.7044 |
| Citicoline | 0.6829 | 1.0170 | 0.9992 | 0.8117 | 0.9141 | 1.5751 |
| Citroside A | 1.0565 | 1.2961 | 0.8325 | 0.5513 | 0.9091 | 1.3546 |
| Ciwujiatone | 0.9549 | 1.0207 | 0.8511 | 1.6134 | 0.7121 | 0.8477 |
| Clemaphenol A* | 0.8555 | 1.2334 | 0.3271 | 0.5793 | 1.5567 | 1.4479 |
| Coccilignan A* | 1.2763 | 1.5533 | 1.2393 | 0.7065 | 0.5396 | 0.6851 |
| Collinusin | 0.8496 | 0.6656 | 1.0011 | 1.6306 | 1.4716 | 0.3815 |
| Comazaphilone D | 0.8265 | 0.9209 | 0.9717 | 0.9758 | 1.0210 | 1.2841 |
| Comazaphilone E | 1.1578 | 1.1677 | 0.9954 | 0.7868 | 0.8999 | 0.9924 |
| Comolactone A | 0.9631 | 0.9576 | 0.9875 | 1.0396 | 0.9334 | 1.1188 |
| Coniferaldehyde* | 1.0596 | 1.0482 | 1.1323 | 1.2182 | 0.8203 | 0.7213 |
| Cordycepin (3^-Deoxyadenosine)* | 0.9299 | 0.7138 | 1.2665 | 1.1624 | 1.4145 | 0.5128 |
| coumarin | 1.0135 | 0.9562 | 0.9791 | 1.1290 | 1.0938 | 0.8284 |
| Coumarin-3-carboxylic Acid | 1.2883 | 1.0393 | 1.0323 | 0.6958 | 0.5948 | 1.3494 |
| Creatinine | 0.9503 | 0.9389 | 1.0126 | 1.0131 | 1.0205 | 1.0646 |
| Crenatoside | 1.1710 | 0.7794 | 1.1636 | 0.8636 | 0.7252 | 1.2972 |
| Crotonoside; 2-Hydroxyadenosine | 0.8719 | 0.8290 | 1.5792 | 1.7024 | 0.2642 | 0.7533 |
| Cubebin Dimethyl Ether | 0.7856 | 0.9446 | 2.5419 | 0.8341 | 0.5847 | 0.3092 |
| Cuneataside E* | 2.0030 | 1.5513 | 0.6375 | 0.2619 | 0.4784 | 1.0679 |
| cyclo-(Gly-Phe) | 1.7568 | 0.7952 | 1.0324 | 1.2941 | 0.4130 | 0.7085 |
| Cycloleucine | 1.0237 | 0.9532 | 1.1222 | 1.2817 | 0.6675 | 0.9517 |
| Cyclo(L-Phe-trans-4-hydroxy-L-Pro) | 0.5346 | 0.7670 | 0.8533 | 1.9197 | 0.6618 | 1.2635 |
| Cycloolivil | 0.4427 | 1.9832 | 1.6557 | 1.0668 | 0.1864 | 0.6651 |
| Cytarabine | 0.8308 | 0.7125 | 1.6259 | 1.0684 | 0.7685 | 0.9940 |
| Cytidine | 0.8332 | 0.5523 | 1.2283 | 2.2923 | 0.4672 | 0.6267 |
| Cytidine 5^-monophosphate(Cytidylic acid) | 1.1139 | 1.2783 | 1.0984 | 0.4517 | 1.0936 | 0.9640 |
| Cytosine | 0.7748 | 0.5587 | 1.6884 | 1.9627 | 0.4742 | 0.5412 |
| D-Allo-Isoleucine* | 0.9980 | 0.9196 | 1.4106 | 1.8674 | 0.3801 | 0.4244 |
| davidioside B | 1.2382 | 1.1271 | 0.3180 | 0.8296 | 1.1560 | 1.3310 |
| dehydroconiferyl alcohol | 1.0771 | 0.8017 | 0.8735 | 1.0853 | 1.1779 | 0.9845 |
| Dehydrodiconiferyl alcohol* | 1.0117 | 1.1058 | 0.3378 | 0.6154 | 1.5998 | 1.3295 |
| Dehydrodiconiferyl alcohol-4-O-glucoside* | 0.7909 | 0.8282 | 1.1885 | 0.8859 | 1.3229 | 0.9835 |
| Dehydrodiconiferyl alcohol-gamma^-O-glucoside* | 0.8635 | 0.7630 | 0.7664 | 1.2037 | 1.1320 | 1.2714 |
| Dehydrodiisoeugenol* | 1.1440 | 3.9407 | 0.2983 | 0.3985 | 0.0992 | 0.1192 |
| Deoxypodophyllotoxin | 1.3336 | 1.4567 | 1.1502 | 0.6633 | 0.5578 | 0.8383 |
| Desrhamnosylacteoside | 2.0088 | 1.2705 | 0.5510 | 0.1848 | 1.4029 | 0.5821 |
| Desrhamnosylisoacteoside* | 0.7407 | 0.7685 | 1.1632 | 1.1769 | 0.7577 | 1.3930 |
| D-Glucosamine | 1.2697 | 1.3956 | 0.6816 | 0.6851 | 0.9366 | 1.0313 |
| Dhurrin-6^-O-Glucoside | 0.4383 | 0.5335 | 0.8910 | 1.5910 | 1.1330 | 1.4133 |
| Diethanolamine | 1.3502 | 1.0908 | 0.9358 | 0.9317 | 0.7369 | 0.9546 |
| Dihydrocaffeic acid | 1.4487 | 0.9002 | 0.8619 | 1.1474 | 0.8292 | 0.8127 |
| Dihydrocostunolide | 4.2285 | 0.0306 | 1.2210 | 0.0430 | 0.4320 | 0.0449 |
| Dihydrodehydrodiconiferyl alcohol | 0.9206 | 1.1207 | 0.7017 | 0.3345 | 2.2735 | 0.6489 |
| Dihydroferuloylputrescine | 1.2454 | 1.2374 | 0.7690 | 0.5034 | 1.2027 | 1.0422 |
| Dihydroisopelletierine | 0.9247 | 0.9875 | 1.1720 | 0.7647 | 1.1770 | 0.9742 |
| Dihydrokaempferol-3-O-glucoside* | 2.2192 | 0.9948 | 0.7351 | 0.7384 | 0.6075 | 0.7050 |
| Dihydromonotropein methyl ester | 1.8377 | 1.6225 | 0.2196 | 0.4355 | 0.9449 | 0.9398 |
| Dihydropyrocurzerenone | 2.4378 | 0.7233 | 1.0428 | 0.0954 | 1.1296 | 0.5711 |
| dihydrosesamin* | 0.4943 | 0.5209 | 2.0707 | 1.6475 | 0.9841 | 0.2825 |
| Dihydroxy-dimethoxyflavone-7-O-glucoside* | 1.1693 | 1.1926 | 0.6690 | 0.8816 | 0.8967 | 1.1909 |
| Dimethyllimettin | 0.8065 | 0.6082 | 0.9474 | 1.3640 | 1.1470 | 1.1269 |
| Dimethyl phthalate | 0.9968 | 1.0791 | 0.7796 | 1.0079 | 1.0528 | 1.0837 |
| Diosmetin-7-O-galactoside* | 0.8876 | 0.7936 | 1.0896 | 1.5580 | 0.7530 | 0.9182 |
| Ditartaroyl-hydroxycoumarin | 0.8331 | NA | NA | NA | 1.1669 | NA |
| Divanillyltetrahydrofuran | 0.8599 | 0.8769 | 0.9505 | 0.9505 | 1.0642 | 1.2981 |
| DL-2-Aminoadipic acid | 0.7929 | 0.9218 | 0.9268 | 2.3381 | 0.4742 | 0.5461 |
| DL-Dopa | 1.0200 | 0.8057 | 2.3598 | 1.2031 | 0.2692 | 0.3421 |
| DL-Methionine | 1.1755 | 0.5885 | 1.2099 | 1.6982 | 0.4697 | 0.8582 |
| DL-Threonine | 1.0900 | 0.8568 | 1.2508 | 1.3905 | 0.6183 | 0.7936 |
| Dopamine | 0.9169 | 0.5610 | 1.2308 | 1.0637 | 1.2851 | 0.9425 |
| D-Ornithine | 1.2600 | 1.0732 | 1.9949 | 0.7450 | 0.4664 | 0.4605 |
| D-Panthenol | 1.0487 | 1.2586 | 0.7462 | 1.1491 | 0.9171 | 0.8803 |
| D-Pantothenic Acid* | 1.1608 | 0.6969 | 1.4348 | 0.9709 | 1.0581 | 0.6785 |
| D-Threose | 1.3035 | 1.1911 | 0.8506 | 0.5681 | 0.6248 | 1.4618 |
| Elaeocarpucin A* | 1.7459 | 0.4618 | 2.0347 | 0.1029 | 1.3933 | 0.2614 |
| Elaeocarpucin B | 2.7065 | 0.5144 | 1.1432 | 0.1715 | 1.2746 | 0.1899 |
| Elaeocarpucin F | 1.7583 | 0.9827 | 0.9258 | 0.1554 | 1.7988 | 0.3791 |
| Elaidolinolenic acid | 1.0480 | 1.4249 | 0.9328 | 0.8416 | 0.8451 | 0.9076 |
| Elemicin | 2.2648 | 0.2661 | 0.2640 | 0.1273 | 2.8416 | 0.2362 |
| Eleutheroside B1* | 0.8945 | 0.9479 | 0.9938 | 1.2302 | 0.9435 | 0.9902 |
| epieudesmin | 0.8878 | 0.9035 | 0.8850 | 0.9628 | 1.1079 | 1.2530 |
| Epimedoside A | 1.1906 | 0.8763 | 1.1663 | 0.9429 | 0.8669 | 0.9570 |
| Eriodictyol-7-O-glucoside* | 1.8588 | 1.0761 | 1.2794 | 0.6297 | 0.5423 | 0.6136 |
| Ethyl cinnamate | 1.3408 | 0.6891 | 1.9491 | 0.2533 | 1.2697 | 0.4981 |
| Ethyl maltol | NA | 1.0378 | NA | NA | NA | 0.9622 |
| Ethyl phenylacetate | 0.8800 | 1.1352 | 1.4069 | 0.6219 | 0.8926 | 1.0634 |
| Ethylsalicylate | 1.1156 | 1.0193 | 1.0650 | 1.1925 | 0.6914 | 0.9162 |
| Eugenyl formate | 0.7644 | 0.8540 | 1.0541 | 0.8393 | 1.4518 | 1.0364 |
| Euoniside* | 0.8945 | 0.9479 | 0.9938 | 1.2302 | 0.9435 | 0.9902 |
| Evofolin B glucoside | 1.1769 | 0.9647 | 0.5051 | 2.2409 | 0.7278 | 0.3847 |
| Excelsioside | 0.8414 | 0.7372 | 1.5045 | 1.4047 | 0.6614 | 0.8509 |
| Fargesin* | 0.8456 | 1.2397 | 0.8188 | 0.8648 | 1.2409 | 0.9901 |
| Feruloyl syringic acid | 1.0192 | 1.0881 | 0.8298 | 0.9844 | 0.9631 | 1.1153 |
| Fisetin | 0.8685 | 0.6739 | 1.0523 | 1.0924 | 1.2294 | 1.0835 |
| flavanthrinin | 1.3089 | 1.3068 | NA | 0.5152 | 1.3303 | 0.5389 |
| Foliasalacioside B1* | 2.3518 | 1.6145 | 0.5398 | 0.3196 | 0.3976 | 0.7767 |
| Forsythoside H* | 1.5365 | 0.8885 | 0.9303 | 0.6114 | 1.3510 | 0.6822 |
| fragransin A2* | 1.1018 | 3.5029 | 0.4416 | 0.5986 | 0.1675 | 0.1876 |
| Fragransin B1* | 1.3382 | 1.5263 | 1.3098 | 0.6741 | 0.5013 | 0.6503 |
| Fragransin B3 | 1.2552 | 1.4995 | 1.4078 | 0.6437 | 0.5609 | 0.6330 |
| Frambinone | 1.5583 | 1.1818 | 0.4568 | 0.3273 | 1.3212 | 1.1545 |
| Fraxetin (7,8-Dihydroxy-6-methoxycoumarin) | 0.7567 | 1.1151 | 1.1575 | 0.9799 | 0.9706 | 1.0202 |
| Fraxetin glucuronide | 0.6413 | NA | 1.4293 | 0.9294 | NA | NA |
| Fraxidin-8-O-glucoside* | 1.0592 | 1.2369 | 0.4904 | 0.9662 | 1.0596 | 1.1876 |
| Fraxiresinol | 1.1075 | 1.0903 | 0.9605 | 0.7515 | 1.2887 | 0.8014 |
| Galangin-7-O-glucoside | 1.1865 | 0.8679 | 1.0554 | 1.2349 | 0.8438 | 0.8115 |
| Gallacetophenone | 0.8037 | 0.9503 | 1.1610 | 0.8863 | 1.1731 | 1.0257 |
| Gallic acid | 1.3548 | 0.7376 | NA | 0.4599 | 1.0410 | 1.4067 |
| Gallocatechin gallate | 0.9865 | 0.6106 | 1.0066 | 1.7573 | 1.0257 | 0.6134 |
| Galloylisorhamnetin | 1.6657 | 2.2607 | 0.2503 | 0.3361 | 0.6195 | 0.8676 |
| Gardenin A glucoside | 1.0815 | 1.2371 | 0.6839 | 1.1258 | 0.6232 | 1.2485 |
| Gardenin C glucoside | 0.5357 | 0.6001 | 2.1050 | 1.4203 | 0.5608 | 0.7781 |
| Gardnerol A | 0.9279 | 0.6728 | 1.3880 | 1.5285 | 0.9576 | 0.5253 |
| Gln-Asp-Val | 1.0439 | 1.3988 | 0.4371 | 0.6042 | 1.1427 | 1.3733 |
| Gln-Cys-Gln | 0.9473 | 1.5478 | 0.5929 | 0.6091 | 0.6917 | 1.6112 |
| Gln-Gly | 1.1411 | 1.2011 | 0.8153 | 0.9587 | 0.9797 | 0.9041 |
| Gln-Ser-Tyr | 0.7106 | 0.7854 | 0.9701 | 1.1507 | 1.1663 | 1.2169 |
| Glu-Arg | 1.1636 | 0.6289 | 1.1012 | 1.1147 | 0.9815 | 1.0101 |
| Glu-Phe | 0.7829 | 0.3572 | 1.5759 | 1.9216 | 0.4413 | 0.9211 |
| Glu-Ser | 1.7274 | 0.8786 | 2.4994 | 0.4785 | 0.3047 | 0.1114 |
| Glycerol 9(E),11(Z),13(E)-octadecatrienoyl ester* | 1.5509 | 1.3104 | 0.5739 | 1.0872 | 0.6750 | 0.8026 |
| Glycidyl Linoleate | 1.4796 | 0.7777 | 1.0400 | 1.0045 | 0.8275 | 0.8706 |
| Glycyl-L-leucine | 1.0696 | 0.8108 | 1.2327 | 1.4276 | 0.5779 | 0.8813 |
| Glycylphenylalanine | 0.7789 | 0.3460 | 1.6859 | 2.2380 | 0.4856 | 0.4656 |
| Grevilloside C | 0.6650 | 0.9447 | 0.9465 | 0.9626 | 0.8375 | 1.6437 |
| Grevilloside E | 1.0396 | 0.8444 | 0.7868 | 1.1076 | 1.0029 | 1.2186 |
| Guaiacol | 0.8290 | 0.7620 | 0.9497 | 1.3635 | 0.7832 | 1.3125 |
| Guanine | 0.8968 | 0.9156 | 2.1620 | 1.0380 | 0.4571 | 0.5304 |
| Guanosine | 0.8685 | 0.7282 | 1.6457 | 1.8542 | 0.2886 | 0.6149 |
| Guanosine 5^-monophosphate | 1.7189 | 1.0100 | 1.1733 | 0.5970 | 0.7665 | 0.7343 |
| Guettardionoside* | 2.1395 | 1.6130 | 0.3708 | 0.3010 | 0.5177 | 1.0580 |
| Hedyotol C | 0.8073 | 0.3580 | 1.5221 | 0.4792 | 2.3707 | 0.4628 |
| Helicide | 0.7833 | 1.1629 | 1.4200 | 0.8711 | 0.7207 | 1.0419 |
| Hexadecyl ethanolamine | 0.6963 | 0.8228 | 1.4745 | 1.1097 | 1.1810 | 0.7157 |
| Hexadecylsphingosine | 1.0435 | 1.0328 | 1.0711 | 0.9563 | 0.9627 | 0.9336 |
| Hispanolone | 0.9584 | 1.2385 | 1.3066 | 0.6164 | 1.2362 | 0.6439 |
| Hispidulin-8-C-glucoside | 0.9077 | 1.0635 | 1.0108 | 1.3130 | 0.8026 | 0.9024 |
| Histamine | 0.8583 | 0.9194 | 1.3552 | 1.4990 | 0.5548 | 0.8133 |
| Histidinol | 0.8793 | 0.8374 | 1.1776 | 0.8897 | 1.1650 | 1.0509 |
| His-Tyr | 0.7577 | 0.8465 | 0.8818 | 1.5031 | 1.0145 | 0.9965 |
| Homoproline | 0.4092 | 0.4819 | 1.3789 | 2.9412 | 0.3874 | 0.4014 |
| Hordenine | 0.9406 | 0.9987 | 0.9186 | 0.9470 | 1.0549 | 1.1402 |
| Horsfieldin* | 0.5642 | 0.5260 | 1.9933 | 1.6333 | 0.9738 | 0.3095 |
| Horsfieldin glucose* | 1.1084 | 0.7939 | 0.8277 | 0.9201 | 1.1837 | 1.1661 |
| Hovenic acid | 2.2004 | 0.6227 | 0.6820 | 0.1240 | 1.8124 | 0.5585 |
| Hydroxymethyl coumarin glucoside | 1.1934 | 0.8103 | 0.8993 | 1.0988 | 0.9787 | 1.0195 |
| Hyp-Ser | 0.9160 | 0.3988 | 1.7655 | 1.8441 | 0.3918 | 0.6838 |
| Hyp-Val | 0.9977 | 1.2063 | 0.9444 | 0.7306 | 1.3463 | 0.7748 |
| Ile-Asn | 0.7532 | 0.4398 | 1.5099 | 1.5936 | 0.4471 | 1.2565 |
| Ile-Trp | 0.7170 | 0.9308 | 1.5995 | 1.1345 | 0.4675 | 1.1507 |
| Imidazole-4-Acetic Acid | 1.0281 | 1.2055 | 0.6633 | 1.1025 | 0.9280 | 1.0725 |
| Indole | 1.3482 | 0.9747 | 0.9223 | 1.2945 | 0.6420 | 0.8183 |
| Inosine | 0.9423 | 1.0599 | 0.9040 | 1.3495 | 0.9208 | 0.8235 |
| Inosine 5^-monophosphate | 1.7654 | 1.2908 | 0.5805 | 0.4684 | 0.9474 | 0.9474 |
| Integracide H | 1.1538 | 1.0489 | 0.9644 | 0.8967 | 0.9977 | 0.9385 |
| Isoalantolactone | 0.2524 | 0.0559 | 5.1619 | 0.0630 | 0.4315 | 0.0352 |
| Isoamericanin A | 0.7977 | 0.8728 | 1.0966 | 1.0030 | 1.0725 | 1.1574 |
| Isobavachalcone glucoside | 1.3249 | 0.6057 | 2.5526 | 0.6055 | 0.2537 | 0.6578 |
| Isochlorogenic acid C | 0.7277 | 0.8364 | 0.9791 | 1.1558 | 1.0570 | 1.2441 |
| Isocrenatoside | 0.9497 | 0.8588 | 0.9465 | 0.9969 | 1.1220 | 1.1261 |
| Isocytosine | 0.7177 | 0.7849 | 1.1699 | 1.8381 | 0.6871 | 0.8023 |
| Isofraxetin | 1.0500 | 0.9696 | 1.4254 | 1.0681 | 0.7503 | 0.7366 |
| Isofraxidin | 0.5544 | 1.3353 | 0.7365 | 1.0731 | 1.1450 | 1.1556 |
| Isoguanine | 1.1900 | 0.8746 | 1.0711 | 1.4435 | 0.3293 | 1.0915 |
| Isolariciresinol-9-O-glucoside | 0.9639 | 0.7969 | 0.7812 | 0.9177 | 1.1910 | 1.3493 |
| Isonicotinic acid | 1.2930 | 0.8912 | 1.0542 | 1.1897 | 0.7616 | 0.8102 |
| Isopentenyladenine-7-N-glucoside | 0.9435 | 1.2015 | 0.9108 | 0.9281 | 0.8231 | 1.1930 |
| Isoquinoline | 1.4897 | 0.8968 | 0.8827 | 0.8665 | 0.8847 | 0.9796 |
| Isorhamnetin-3,7-O-diglucoside | 0.8198 | 0.9081 | 0.5552 | 1.0812 | 0.7900 | 1.8457 |
| Isorhamnetin-3-O-(2^^-O-xylosyl)glucoside | 1.4992 | 1.3074 | 1.6814 | 0.6944 | 0.4187 | 0.3988 |
| Isorhamnetin-3-O-arabinoside | 1.3072 | 0.5792 | 1.4528 | 0.6323 | 1.2800 | 0.7485 |
| Isorhamnetin-3-O-glucuronide-7-O-rhamnoside | 1.6665 | 1.0359 | 0.3150 | 0.3162 | 1.1306 | 1.5358 |
| Isorhamnetin-3-O-rhamnoside | 1.1297 | 1.0414 | 0.9986 | 0.9182 | 0.7475 | 1.1646 |
| Isorhamnetin-3-O-rutinoside-4^-O-glucoside* | 0.9894 | 0.8693 | 0.7701 | 0.4614 | 2.2039 | 0.7060 |
| Isorhamnetin-3-O-rutinoside (Narcissin) | 1.0775 | 1.0998 | 0.8380 | 0.8263 | 0.9243 | 1.2341 |
| Isorhamnetin-3-O-sophoroside-7-O-rhamnoside* | 1.2172 | 1.0138 | 0.8796 | 0.4137 | 1.2026 | 1.2731 |
| Isorhamnetin-7-O-glucoside (Brassicin) | 1.0446 | 1.1124 | 1.2933 | 1.0212 | 0.7032 | 0.8253 |
| Isosakuranetin-7-O-glucoside (Isosakuranin) | 1.1087 | 1.0803 | 1.3071 | 0.6884 | 0.7609 | 1.0546 |
| Isosalipurposide-6^^-O-p-coumaric acid | 0.9497 | 1.1479 | 0.6273 | 1.0869 | 1.1640 | 1.0241 |
| Isosclerone;(4S)-4,8-Dihydroxy-3,4-Dihydronaphthalene-1(2H)-One | 0.9520 | 0.7363 | 0.9286 | 0.9570 | 1.2996 | 1.1265 |
| Isovanillin | 0.5520 | 0.9509 | 1.5899 | 1.7185 | 0.7643 | 0.4244 |
| Jaceosidin-7-O-Glucoside | 0.6035 | 0.6185 | 1.1439 | 1.4776 | 0.8808 | 1.2757 |
| Justicidinoside A | 0.6666 | 1.1291 | 2.5563 | 0.6220 | 0.7331 | 0.2928 |
| Kaempferol-4^-O-glucoside | 1.7099 | 1.1539 | 1.1366 | 0.3599 | 0.9369 | 0.7028 |
| Kingiside | 1.0329 | 1.2315 | 0.9101 | 0.9490 | 0.9592 | 0.9172 |
| Ladanetin-6-O-β-D-glucosid* | 0.7520 | 0.9036 | 0.7850 | 1.0674 | 0.9922 | 1.4999 |
| L-Alanyl-L-Phenylalanine | 1.0619 | 0.7369 | 1.5608 | 0.7431 | 1.0343 | 0.8630 |
| L-Allo-isoleucine | 0.9478 | 0.8549 | 2.0016 | 1.5607 | 0.2518 | 0.3832 |
| L-Arginine | 0.1308 | 0.1408 | 1.0627 | 4.4572 | 0.0620 | 0.1464 |
| Lariciresinol acetate | 2.8375 | 0.5999 | 0.3972 | 0.1747 | 1.8085 | 0.1823 |
| L-Asparagine | 1.4172 | 1.1297 | 2.2159 | 0.6482 | 0.2698 | 0.3193 |
| L-Aspartyl-L-Phenylalanine | 1.1327 | 0.6342 | 0.9855 | 1.9653 | 0.4809 | 0.8015 |
| Lauramine oxide | 0.9609 | 1.0456 | 1.0072 | 0.9609 | 1.0625 | 0.9629 |
| Lauryldiethanolamine* | 1.0273 | 1.0073 | 0.9998 | 0.9973 | 1.0273 | 0.9411 |
| L-Carnitine | 1.0814 | 1.4285 | 1.3701 | 1.1045 | 0.3448 | 0.6706 |
| L-Citrulline | 0.8483 | 0.8782 | 1.3723 | 0.9697 | 0.8722 | 1.0593 |
| L-Cyclopentylglycine | 0.8292 | 0.8117 | 1.4610 | 1.2674 | 1.0430 | 0.5876 |
| L-Cystathionine | 1.1030 | 1.1347 | NA | 0.7399 | 0.9039 | 1.1184 |
| L-Cysteinyl-L-glycine | 1.0752 | 0.6903 | 0.9113 | 0.8582 | 1.4030 | 1.0619 |
| L-Cystine | 0.6477 | 0.9588 | 0.9957 | 1.7404 | 0.8946 | 0.7628 |
| Lepadin D | 1.0389 | 0.8315 | 0.9692 | 1.0924 | 1.3145 | 0.7535 |
| Leu-Abu-OH | 0.9431 | 0.8817 | 1.2500 | 1.0367 | 0.6068 | 1.2817 |
| Leu-Arg | 1.3041 | 0.5748 | 1.3997 | 1.1660 | 0.7320 | 0.8234 |
| Leu-Asp | 0.7009 | 0.3584 | 1.6508 | 2.3670 | 0.3326 | 0.5902 |
| Leucosceptoside A | 2.3672 | 0.6245 | 0.9029 | 0.7370 | 0.7437 | 0.6247 |
| L-Glutamic acid | 1.1921 | 0.8746 | 0.9940 | 1.2499 | 0.6870 | 1.0024 |
| L-Glutamine | 0.6914 | 1.0812 | 1.2313 | 1.7510 | 0.7894 | 0.4556 |
| L-Histidine | 0.5257 | 1.4130 | 1.1464 | 1.9798 | 0.2500 | 0.6850 |
| L-Homocitrulline | 1.2224 | 1.0834 | 1.1409 | 1.1548 | 0.6580 | 0.7405 |
| L-Homocysteine | 0.9442 | 0.8111 | 0.9579 | 1.4959 | 0.6704 | 1.1205 |
| L-Homocystine | 1.1118 | 0.5524 | 0.9314 | 1.3455 | 0.4901 | 1.5688 |
| L-Homomethionine | 1.0677 | 0.9143 | 0.9999 | 1.0269 | 0.9783 | 1.0130 |
| L-Homoserine | 1.5231 | 0.9363 | 1.1226 | 1.2285 | 0.5227 | 0.6668 |
| Licarin A | 1.1301 | 4.0147 | 0.2555 | 0.3553 | 0.1221 | 0.1223 |
| Ligstral | 0.8941 | 0.7793 | 1.1778 | 1.2086 | 0.8727 | 1.0675 |
| Ligustroflavone(Nuezhenoside) | 0.8345 | 1.0827 | 1.0000 | 1.0388 | 1.1546 | 0.8893 |
| Linolenyl Alcohol | 1.1305 | 0.7396 | 1.2842 | 1.1979 | 1.3579 | 0.2899 |
| linoleoyl ethanolamine | 0.6806 | 0.5005 | 1.9558 | 1.6754 | 0.7103 | 0.4774 |
| Liriodendrin | 0.9438 | 0.9887 | 0.4584 | 1.8589 | 0.4340 | 1.3163 |
| L-Isoleucyl-L-Aspartate | 0.7846 | 0.6080 | 1.6599 | 1.3423 | 0.6197 | 0.9855 |
| L-Isoserine | 1.4231 | 1.0891 | 0.9764 | 0.9605 | 0.6237 | 0.9272 |
| Lithospermoside | 0.9244 | 1.2131 | 1.8897 | 0.8723 | 0.3624 | 0.7380 |
| L-Leucyl-L-Leucine | 1.1511 | 0.4869 | 2.2313 | 0.6906 | 0.5150 | 0.9251 |
| L-Leucyl-L-phenylalanine | 1.0101 | 0.4399 | 2.2543 | 1.0042 | 0.5302 | 0.7612 |
| L-Lysine | 0.7055 | 1.0826 | 1.2321 | 1.7380 | 0.8010 | 0.4407 |
| L-Lysine-Butanoic Acid | 0.7358 | 0.4018 | 2.4787 | 0.4301 | 1.8777 | 0.0759 |
| L-Methionine Sulfoxide | 0.8165 | 1.0589 | 0.9747 | 1.8059 | 0.6660 | 0.6779 |
| L-Norleucine* | 0.9718 | 0.9590 | 1.1657 | 2.0434 | 0.3821 | 0.4779 |
| L-Phenylalanine | 0.6268 | 0.4513 | 1.3583 | 1.5398 | 0.8340 | 1.1897 |
| L-Phenylalaninol | 0.9528 | 1.0878 | 0.9843 | 0.9554 | 0.8965 | 1.1232 |
| L-Pipecolic Acid | 0.8279 | 1.5141 | 1.4467 | 0.6291 | 0.2202 | 1.3619 |
| L-Proline* | 0.7349 | 0.8037 | 1.5037 | 1.4745 | 0.5895 | 0.8937 |
| L-Serine | 1.2551 | 1.1567 | 0.8779 | 0.9483 | 0.7692 | 0.9929 |
| L-Seryl-L-Isoleucine | 0.7298 | 0.3295 | 2.1742 | 1.3682 | 0.4140 | 0.9843 |
| L-Tyramine | 1.2357 | 0.9438 | 0.3179 | 0.5763 | 0.8887 | 2.0376 |
| L-Tyrosinamide | 0.7395 | 0.9360 | 0.5873 | 0.7110 | 1.5416 | 1.4847 |
| L-Tyrosine* | 0.8157 | 0.9450 | 0.8074 | 1.8942 | 0.6988 | 0.8390 |
| L-Tyrosine methyl ester | 1.0016 | 0.8907 | 1.0069 | 1.0525 | 1.1060 | 0.9423 |
| Luteolin-3^-O-glucoside | 0.5130 | 0.6471 | 1.5111 | 1.5796 | 0.9006 | 0.8485 |
| Luteolin-4^-O-glucoside | 1.1339 | 0.8267 | 1.2695 | 1.2418 | 0.7423 | 0.7858 |
| L-Valine* | 1.1097 | 1.1071 | 1.3858 | 1.5212 | 0.3680 | 0.5082 |
| L-Valinol | 1.1729 | 1.0747 | 0.8085 | 1.1384 | 0.7708 | 1.0347 |
| L-Valyl-L-Leucine | 0.6685 | 0.3214 | 2.6064 | 1.2778 | 0.3192 | 0.8067 |
| L-Valyl-L-Phenylalanine | 0.5321 | 0.2412 | 2.2953 | 2.0758 | 0.2468 | 0.6088 |
| Lys-Ala | 0.5535 | 0.6895 | 0.6665 | 3.0482 | 0.3984 | 0.6438 |
| Lys-Asn | 1.0213 | 0.9168 | 1.3150 | 1.2032 | 0.7977 | 0.7461 |
| Lys-Gly | 0.9879 | 0.8829 | 1.1346 | 0.9840 | 1.1354 | 0.8752 |
| Lys-Leu | 0.9413 | 0.9795 | 1.4101 | 1.3545 | 0.6863 | 0.6283 |
| LysoPC 15:0* | 0.5908 | 1.2129 | 0.8487 | 1.1466 | 1.1176 | 1.0833 |
| LysoPC 15:0(2n isomer)* | 0.5908 | 1.2129 | 0.8487 | 1.1466 | 1.1176 | 1.0833 |
| LysoPC 15:1 | 1.0115 | 0.8574 | 1.0045 | 0.9271 | 1.1411 | 1.0584 |
| LysoPC 16:0* | 0.8820 | 0.8480 | 1.1289 | 0.7155 | 1.7280 | 0.6976 |
| LysoPC 16:0(2n isomer)* | 0.8880 | 0.8074 | 1.2657 | 0.7129 | 1.6250 | 0.7009 |
| LysoPC 16:1* | 1.2777 | 1.3230 | 0.5769 | 0.4001 | 1.1830 | 1.2394 |
| LysoPC 16:1(2n isomer)* | 1.2579 | 1.8546 | 0.9841 | 0.4749 | 0.7148 | 0.7138 |
| LysoPC 17:0* | 0.8706 | 0.6179 | 1.0576 | 0.5434 | 2.4505 | 0.4600 |
| LysoPC 17:0(2n isomer)* | 0.8017 | 0.6838 | 1.0053 | 0.5970 | 2.4412 | 0.4710 |
| LysoPC 17:1 | 0.9499 | 1.0217 | 0.9426 | 0.7508 | 0.8838 | 1.4513 |
| LysoPC 17:2 | 1.0341 | 1.2283 | 1.0939 | 0.4791 | 1.0294 | 1.1352 |
| LysoPC 18:0 | 0.7118 | 0.4978 | 0.7367 | 0.3080 | 3.2877 | 0.4580 |
| LysoPC 18:1 | 1.2520 | 0.7864 | 1.2253 | 0.5680 | 1.4920 | 0.6764 |
| LysoPC 18:1(2n isomer) | 0.8947 | 0.9890 | 1.8161 | 1.0481 | 0.8495 | 0.4026 |
| LysoPC 18:2 | 1.1717 | 0.7612 | 0.8984 | 0.5687 | 1.4173 | 1.1827 |
| LysoPC 18:2(2n isomer) | 1.1300 | 1.1417 | 1.1318 | 0.6459 | 0.9618 | 0.9887 |
| LysoPC 18:3 | 1.3734 | 1.2969 | 0.6720 | 0.4127 | 1.2614 | 0.9836 |
| LysoPC 18:3(2n isomer) | 1.7611 | 1.7922 | 0.8853 | 0.2141 | 0.9228 | 0.4246 |
| LysoPC 19:1 | 1.0484 | 0.9097 | 1.9178 | 0.8438 | 0.6786 | 0.6016 |
| LysoPC 19:2 | 0.5886 | 1.6068 | 1.6868 | 0.5855 | 0.7319 | 0.8003 |
| LysoPC 19:2(2n isomer) | 0.6779 | 1.4378 | 1.5273 | 0.6754 | 0.9270 | 0.7545 |
| LysoPC 20:2 | 0.8284 | 0.9238 | 0.6365 | 0.6621 | 1.5937 | 1.3555 |
| LysoPC 20:2(2n isomer) | 0.7404 | 1.5466 | 0.6029 | 0.9035 | 1.0534 | 1.1531 |
| LysoPE 16:0 | 0.7580 | 1.0271 | 1.1867 | 1.1566 | 0.7960 | 1.0756 |
| LysoPE 16:0(2n isomer) | 0.7797 | 1.1032 | 0.9976 | 1.2380 | 0.7159 | 1.1655 |
| LysoPE 16:1* | 1.2903 | 1.5541 | 0.5726 | 0.4051 | 0.8834 | 1.2945 |
| LysoPE 16:1(2n isomer)* | 1.2037 | 1.3446 | 0.7323 | 0.4936 | 1.0433 | 1.1825 |
| LysoPE 17:1 | 1.4659 | 1.0670 | 0.4618 | 0.8397 | 0.7902 | 1.3753 |
| LysoPE 18:0 | 0.6001 | 0.8986 | 0.6912 | 0.6974 | 1.4926 | 1.6201 |
| LysoPE 18:1* | 0.9499 | 1.3366 | 0.4511 | 0.6749 | 1.2470 | 1.3405 |
| LysoPE 18:1(2n isomer)* | 1.0465 | 1.2002 | 1.1928 | 1.3005 | 0.5017 | 0.7583 |
| LysoPE 18:2 | 0.8203 | 0.8127 | 0.5128 | 0.6683 | 1.4160 | 1.7698 |
| LysoPE 18:2(2n isomer) | 1.2756 | 0.6266 | 0.8542 | 0.6963 | 1.1173 | 1.4299 |
| LysoPE 18:3 | 1.1575 | 1.1609 | 0.3001 | 0.3573 | 1.4824 | 1.5418 |
| LysoPE 18:3(2n isomer) | 2.0271 | 1.4174 | 0.4410 | 0.3912 | 1.0229 | 0.7004 |
| Lys-Phe | 1.3308 | 1.2598 | 0.8093 | 0.9100 | 0.7413 | 0.9487 |
| Lys-Thr | 1.0062 | 0.8630 | 1.0138 | 1.2198 | 0.8536 | 1.0435 |
| Lys-Tyr | 1.1750 | 1.0881 | 0.8297 | 1.1254 | 0.7333 | 1.0485 |
| L-α-Glutamyl-L-Glutamic Acid | 1.1903 | 0.9822 | 0.7376 | 0.9819 | 0.8877 | 1.2204 |
| Machilin H | 1.5922 | 1.3126 | 0.4917 | 0.7223 | 1.0639 | 0.8173 |
| Machilusol A* | 0.9448 | 2.4339 | 0.9112 | 1.1749 | 0.2833 | 0.2520 |
| Macrophypene B* | 1.1905 | 1.2646 | 0.6731 | 1.1653 | 0.6873 | 1.0193 |
| Magnolin | 0.9597 | 0.8243 | 1.3569 | 0.5809 | 1.6738 | 0.6044 |
| Malonyl oleuropein | 1.2289 | 1.3193 | 0.5525 | 1.2042 | 1.0795 | 0.6157 |
| Malonyltryptophan | 0.7972 | 0.8778 | 1.0176 | 1.0661 | 1.2012 | 1.0401 |
| Maltopentaose | NA | 1.0225 | 0.1997 | 1.7685 | 0.8560 | 1.1533 |
| Maltotriose | 0.8976 | 0.9858 | 0.9184 | 1.0494 | 0.9483 | 1.2005 |
| Maohuoside A | 1.1175 | 0.9210 | 0.7400 | 0.7931 | 0.8650 | 1.5634 |
| Massoniresinol; Vladinol A | 0.5067 | 0.5904 | 0.7890 | 0.9453 | 1.5678 | 1.6007 |
| Matairesinol-4^-O-glucoside (Matairesinoside) | 0.8449 | 0.7763 | 1.0031 | 0.5750 | 1.1387 | 1.6621 |
| Medioresinol B | 0.9421 | 1.0329 | 0.5175 | 0.7862 | 1.5764 | 1.1449 |
| Mequinol | 1.0244 | 0.7964 | 0.8430 | 0.9348 | 1.0312 | 1.3701 |
| Met-Ala-Glu | 0.8273 | NA | 0.8156 | 1.3211 | NA | 1.0360 |
| Met-Asn | 0.9579 | 0.8086 | 1.3370 | 0.4428 | 1.6355 | 0.8182 |
| Met-Asp | 0.7632 | 1.0387 | 0.8378 | 1.0892 | 1.0013 | 1.2699 |
| Met-His | 0.7172 | 0.6723 | 1.9154 | 1.5347 | 0.6348 | 0.5255 |
| Methoxyindoleacetic acid | 1.0987 | 0.9830 | 0.9538 | 0.7778 | 0.9412 | 1.2455 |
| Methyl-3-(3-hydroxyphenyl)Propionate | 0.9559 | 0.9912 | 1.7529 | 1.0086 | 0.7352 | 0.5563 |
| Methyl 3-aminopropanoate | 1.0264 | 1.0383 | 0.7767 | 1.0972 | 0.7157 | 1.3458 |
| Methyl (6-O-4-hydroxybenzoyl)-α-D-glucoside | 0.6155 | 0.5393 | 0.8450 | 1.1681 | 1.3907 | 1.4414 |
| Methyl 8,9-epoxypimaran-18-oate | 1.5620 | 0.6966 | 1.5620 | 0.5335 | 1.1408 | 0.5050 |
| Methyl dioxindole-3-acetate | 1.0391 | 0.9061 | 1.0768 | 1.0935 | 0.8564 | 1.0281 |
| Methyldopa | 0.9856 | 1.1853 | 1.2883 | 0.4790 | 0.9215 | 1.1404 |
| Methyl Hydroxycinnamate | 1.0555 | 1.1279 | 0.9348 | 1.3570 | 0.9481 | 0.5768 |
| Methylpicraquassioside A | 1.1296 | 1.0004 | 1.0932 | 1.0850 | 0.7356 | 0.9562 |
| Methyl Syringate | 0.8852 | 0.7356 | 1.0577 | 0.9090 | 1.4261 | 0.9864 |
| Met-Met | 0.9859 | 0.5835 | 1.4894 | 0.9665 | 0.9291 | 1.0456 |
| Met-Pro-Gln | 1.5922 | 1.3126 | 0.4917 | 0.7223 | 1.0639 | 0.8173 |
| Met-Ser | 1.0639 | 0.2717 | 1.9127 | 1.9095 | 0.3849 | 0.4574 |
| Met-Thr | 1.3095 | 1.0078 | 0.9179 | 0.8480 | 1.1503 | 0.7666 |
| Monolinolenin* | 1.5642 | 1.3648 | 0.5904 | 1.0465 | 0.6659 | 0.7681 |
| Monopalmitin* | 0.9258 | 0.6641 | 1.6957 | 0.9375 | 1.2736 | 0.5032 |
| Mucic acid-dimethyl-2-O-gallate | 0.5509 | 0.8945 | 0.9853 | 1.5581 | 1.0581 | 0.9532 |
| mudanoside A | 1.3006 | 0.7331 | 0.8379 | 1.0739 | 1.1935 | 0.8610 |
| Mudanpinoic acid A | 1.3772 | 0.7580 | 1.6250 | 0.1806 | 1.8025 | 0.2567 |
| Multifidol Glucoside | 0.3144 | 0.5440 | 3.3851 | 0.6646 | 0.4962 | 0.5958 |
| Myrisfragransin | 1.1658 | 3.9071 | 0.2914 | 0.3478 | 0.1350 | 0.1528 |
| Myristicanol B* | 1.3190 | 1.5094 | 1.3459 | 0.6844 | 0.5198 | 0.6215 |
| Myrtucommulone B | 1.0340 | 1.0156 | 1.0391 | 1.0965 | 1.1444 | 0.6704 |
| N1-Caffeoyl-N10-dihydrocaffeoylspermidine | 1.0646 | 1.2720 | 0.7756 | 1.0294 | 1.0153 | 0.8432 |
| N1-Dihydrocaffeoyl-N10-coumaroylspermidine | 1.2819 | 1.1742 | 0.6620 | 0.3887 | 1.0615 | 1.4317 |
| N1,N10-Dihydrocaffeoylspermidine | 1.2428 | 0.9684 | 0.8349 | 1.3660 | 0.8787 | 0.7092 |
| N1,N8-Bis(sinapoyl)spermidine | 1.2984 | 0.9223 | 0.2855 | 0.9324 | 1.5733 | 0.9881 |
| N-(2-Hydroxy-4-methoxyphenyl)acetamide | 0.7039 | 0.8686 | 0.8202 | 2.0538 | 0.5892 | 0.9642 |
| N-[3-(4-Hydroxyphenyl)acryloyl]-L-tyrosine | 1.1156 | 0.9771 | 0.9568 | 0.8234 | 1.1410 | 0.9860 |
| N-(3-Indolylacetyl)-L-alanine | 1.3037 | 1.3567 | 0.9585 | 0.7819 | 0.8184 | 0.7807 |
| N-(4-Aminobutyl)benzamide | 1.2802 | 1.5942 | 0.5154 | 0.7671 | 0.7202 | 1.1229 |
| N6-(2-Hydroxyethyl)adenosine* | 1.0046 | 0.8452 | 1.8628 | 0.9851 | 0.6103 | 0.6920 |
| N6-(4-hydroxybenzyl)adenine | 0.7845 | 0.5443 | 1.4322 | 1.1444 | 1.3462 | 0.7484 |
| N6-Acetyl-L-lysine | 1.0666 | 1.1307 | 1.1823 | 0.9247 | 0.9375 | 0.7581 |
| N6-Isopentenyladenine | 0.7237 | 1.1780 | 1.1892 | 1.0178 | 1.1242 | 0.7671 |
| N(6),N(6)-Dimethyl-L-lysine | 0.1042 | 0.1133 | 1.0922 | 4.4549 | 0.0774 | 0.1580 |
| N7-Methylguanosine | 1.1419 | 0.7669 | 1.3505 | 0.7279 | 1.0714 | 0.9413 |
| N-Acetylcadaverine | 0.8767 | 0.9562 | 1.0466 | 0.9578 | 1.0891 | 1.0736 |
| N-Acetyl-D-galactosamine | 1.1262 | 0.9901 | 1.1749 | 0.9033 | 1.0018 | 0.8037 |
| N-Acetyl-D-glucosamine | 1.0563 | 0.9857 | 1.2907 | 0.9415 | 0.9382 | 0.7876 |
| N-Acetyl-D-mannosamine | 0.9581 | 1.2112 | 1.1369 | 0.8489 | 1.0232 | 0.8216 |
| N-benzylformamide | 0.7214 | 1.0145 | 0.8709 | 1.8738 | 0.5852 | 0.9343 |
| N-Benzylmethylene isomethylamine | 0.5264 | 0.4156 | 1.4614 | 1.5892 | 0.8292 | 1.1781 |
| N-(beta-D-Glucosyl)nicotinate | 1.4671 | 0.7734 | 1.2506 | 0.2120 | 1.7985 | 0.4984 |
| N-Caffeoylphenylalanine | 1.1106 | 0.9491 | 0.7739 | 1.3130 | 0.9312 | 0.9222 |
| N-Carbamoylsarcosine | 0.9524 | 0.9349 | 0.9524 | 1.0519 | 0.9349 | 1.1734 |
| Nectandrin B* | 1.0979 | 3.4522 | 0.5519 | 0.5532 | 0.1520 | 0.1928 |
| N-Feruloyltyramine 4^-glucoside | 0.9123 | 1.1433 | 1.3527 | 0.9279 | 0.8347 | 0.8292 |
| N-(gamma-L-glutamyl)tyramine O-glucoside | 0.9885 | 0.9287 | 0.7971 | 1.0303 | 1.0817 | 1.1738 |
| N-Glucosyl-p-coumaroylputrescine | 1.1114 | 0.9388 | 0.8936 | 1.0928 | 1.2281 | 0.7353 |
| NG,NG-Dimethyl-L-arginine* | 0.8627 | 0.6544 | 0.9046 | 2.0220 | 0.6158 | 0.9405 |
| Nicotianamine | 0.7976 | 0.3640 | 2.1899 | 1.8579 | 0.4230 | 0.3675 |
| Nicotinamide | 1.2769 | 1.2539 | 1.1655 | 1.1066 | 0.6730 | 0.5243 |
| Nicotinate D-ribonucleoside | 0.7138 | 1.1101 | 1.0076 | 1.6164 | 0.6779 | 0.8743 |
| Nicotinic acid adenine dinucleotide | 1.4916 | 0.7918 | 0.9827 | 0.8852 | 1.0580 | 0.7906 |
| Nicotinic Acid Methyl Ester(Methyl Nicotinate) | 0.8394 | 0.7635 | 1.6361 | 0.8560 | 0.9483 | 0.9568 |
| Nicotinic acid (Vitamin B3) | 1.0487 | 0.9778 | 1.5014 | 1.2282 | 0.6086 | 0.6353 |
| N-Isobutyl-4,5-epoxy-2E-decaenamide | 1.0422 | 1.0109 | 0.9305 | 0.9390 | 1.0216 | 1.0558 |
| N-Methyl-L-proline | 0.9882 | 1.0143 | 1.0848 | 1.3357 | 0.6726 | 0.9044 |
| N-Methylserotonin | 1.0415 | 0.8608 | 0.8681 | 1.1466 | 1.0752 | 1.0078 |
| N-Methyl-Trans-4-Hydroxy-L-Proline | 0.8812 | 0.8044 | 1.6084 | 1.5575 | 0.6477 | 0.5008 |
| N-Methyltryptamine | 1.0453 | 0.9332 | 0.7129 | 0.8627 | 1.1273 | 1.3185 |
| N-Methyl-α-aminoisobutyric acid | 1.0883 | 1.1528 | 2.8476 | 0.3567 | 0.4363 | 0.1184 |
| N-Monocinnamoylputrescine* | 0.8644 | 0.9929 | 0.6625 | 1.0887 | 0.7659 | 1.6256 |
| N-Monomethyl-L-arginine* | 0.4994 | 0.4334 | 1.1592 | 3.2153 | 0.2772 | 0.4155 |
| N,N-cinnamoylbutanediamine* | 0.8164 | 1.0456 | 0.3990 | 0.5374 | 1.7103 | 1.4914 |
| N^,N^^-Diferuloylspermidine | 0.6014 | 0.6948 | 1.4209 | 0.9118 | 1.2206 | 1.1506 |
| N,N-Dimethyl-5-methoxytryptamine | 0.8299 | 0.8260 | 0.4503 | 0.6709 | 1.7572 | 1.4656 |
| N,N^-Dimethylarginine;SDMA* | 0.8558 | 0.7330 | 0.9903 | 1.9307 | 0.5719 | 0.9182 |
| N,N-Dimethylformamide | 1.0032 | 1.1284 | 0.8407 | 1.0405 | 0.9600 | 1.0271 |
| N,N-Dimethylglycine* | 1.1200 | 1.0678 | 0.8227 | 1.1442 | 0.7482 | 1.0971 |
| N-Oleoylethanolamine | 0.7181 | 0.3323 | 2.4140 | 1.4336 | 0.9889 | 0.1130 |
| Nonic acid | 1.3752 | 1.2583 | 0.7583 | 0.6595 | 0.8571 | 1.0916 |
| Nopaline | 0.8856 | 1.1483 | 1.1767 | 1.0771 | 0.5915 | 1.1208 |
| N^-p-Coumaroylagmatine-glucoside | 0.8363 | 1.3868 | 0.7552 | 1.2162 | 0.9700 | 0.8354 |
| N-p-Coumaroylhydroxyputrescine | 0.8783 | 1.1702 | 0.9263 | 0.9287 | 1.0453 | 1.0513 |
| N-p-Coumaroyloctopamine | 1.0328 | 1.0539 | 0.7959 | 1.0156 | 0.8593 | 1.2425 |
| N-(p-Coumaroyl)serotonin Glucoside | 0.9056 | 0.8599 | 0.9218 | 0.9988 | 1.1204 | 1.1934 |
| N-Phenylacetylglycine | 1.0370 | 0.9415 | 0.9207 | 1.0578 | 0.8370 | 1.2060 |
| N-Propionyl nornicotine | 0.8389 | 1.0673 | 1.3211 | 1.0142 | 1.0280 | 0.7306 |
| N-Trans-Cinnamoylputrescine | 0.7968 | 0.8492 | 0.7172 | 0.6785 | 1.3842 | 1.5742 |
| O-Acetyl-L-carnitine | 1.5858 | 0.6402 | 2.0363 | 0.7277 | 0.5734 | 0.4366 |
| O-Acetyl-L-homoserine | 0.7275 | 0.9626 | 1.3649 | 1.8494 | 0.5932 | 0.5024 |
| O-Acetylserine | 1.1011 | 0.9997 | 0.8833 | 0.7608 | 0.9649 | 1.2901 |
| O-benzyl-L-serine | 0.6914 | 1.1739 | 1.0637 | 0.3507 | 2.0524 | 0.6678 |
| Octadec-8-enamide | 1.1474 | 0.7503 | 1.3024 | 1.1612 | 1.3731 | 0.2657 |
| Octadeca-11E,13E,15Z-trienoic acid | 0.8365 | 1.1685 | 1.1500 | 1.0224 | 0.9564 | 0.8662 |
| Octadeca-2,9,12,15-tetraen-1-ol | 1.0278 | 0.9381 | 1.0536 | 1.0504 | 1.2272 | 0.7028 |
| Octadecadienamide | 0.9845 | 0.9253 | 1.0512 | 1.0455 | 1.2630 | 0.7305 |
| Okanin-3^,4^-di-O-glucoside | 1.2034 | 1.3797 | 0.5463 | 0.3948 | 0.6667 | 1.8090 |
| Okanin-4^-O-glucoside(Marein)* | 0.9575 | 1.3416 | 0.6903 | 0.8549 | 0.9160 | 1.2396 |
| Oleamide (9-Octadecenamide) | 1.1050 | 0.7129 | 1.3617 | 1.1629 | 1.4271 | 0.2305 |
| Olean-12-ene-3,16-dione (Maniladione) | 2.0374 | 0.4831 | 1.1425 | 0.0371 | 2.1072 | 0.1926 |
| Oleoside* | 0.7727 | 0.9467 | 0.9232 | 2.1064 | 0.6800 | 0.5710 |
| Olivil Monoacetate | 1.3616 | 1.4131 | 0.8466 | 0.5770 | 1.0443 | 0.7575 |
| O-phosphate-L-tyrosine | 0.8480 | 0.9960 | 1.2158 | 1.1644 | 1.0174 | 0.7584 |
| O-Phosphocholine | 1.3089 | 0.9956 | 1.1482 | 0.4262 | 1.2153 | 0.9057 |
| osmanthuside F | 1.0833 | 1.0169 | 0.7957 | 0.8631 | 1.1333 | 1.1078 |
| Otobaphenol* | 1.1549 | 3.9402 | 0.2922 | 0.3958 | 0.1077 | 0.1092 |
| Ovafolinin E | 0.9424 | 0.8525 | 1.3050 | 0.3000 | 2.1034 | 0.4968 |
| Oxaceprol | 1.1624 | 0.8387 | 1.5689 | 0.9251 | 0.8837 | 0.6211 |
| p-Coumaric acid | 1.3293 | 1.5589 | 1.0533 | 0.6253 | 0.9035 | 0.5297 |
| p-Coumaroylcadaverine | 1.1782 | 0.8440 | 1.3898 | 1.3907 | 0.8383 | 0.3591 |
| p-Coumaroylputrescine | 1.0056 | 1.0276 | 0.8275 | 0.7893 | 1.0593 | 1.2907 |
| p-Coumaroyltyramine* | 1.0462 | 0.6492 | 1.3155 | 0.3481 | 2.1050 | 0.5360 |
| Pectolinarigenin-7-O-glucoside | 0.7802 | 1.1348 | 0.8539 | 0.7979 | 1.1154 | 1.3177 |
| Peucedanol 7-O-glucoside | 1.6971 | 1.6485 | 0.2119 | 0.1700 | 1.1948 | 1.0777 |
| Phe-Ile | 0.5311 | 0.4123 | 1.2985 | 2.1276 | 0.4355 | 1.1950 |
| Phellodendroside* | 1.0600 | 0.7996 | 0.9527 | 1.2196 | 1.0609 | 0.9072 |
| Phenylacetaldehyde | 0.9769 | 0.9149 | 1.0143 | 1.2333 | 0.8505 | 1.0100 |
| Phenylethanolamine | 0.7368 | 0.5033 | 2.2652 | 0.3325 | 1.8900 | 0.2721 |
| Phenyl salicylate | 0.3201 | 0.0800 | 5.1462 | 0.0282 | 0.3670 | 0.0585 |
| Phe-Ser | 0.8219 | 0.2804 | 1.9297 | 1.9630 | 0.3258 | 0.6792 |
| Phe-Thr | 1.0826 | 0.4444 | 1.9714 | 1.1749 | 0.5066 | 0.8200 |
| Phloroglucinol; 1,3,5-Benzenetriol | 1.0184 | 1.4050 | 0.8002 | 0.8905 | 0.9731 | 0.9128 |
| Phthalic anhydride | 1.0101 | 1.0542 | 0.8737 | 1.2197 | 0.9857 | 0.8565 |
| Pinolenic acid | 0.8816 | 1.2567 | 0.8498 | 1.1136 | 1.0829 | 0.8154 |
| Pipecolic acid | 1.0018 | 1.0442 | 1.1144 | 1.2810 | 0.6800 | 0.8788 |
| Piperidine | 1.1507 | 0.8558 | 1.6503 | 1.6536 | 0.3038 | 0.3859 |
| Piperonal | 1.2164 | 0.9738 | 1.1157 | 1.0505 | 0.6055 | 1.0379 |
| Piperonylic acid | 0.9267 | 0.9986 | 0.7587 | 0.6152 | 1.0998 | 1.6010 |
| Plantarenaloside | 1.0863 | 1.3286 | 0.4468 | 0.5862 | 1.1242 | 1.4279 |
| Planteose | 0.6854 | 1.0468 | 0.8810 | 1.3348 | 0.7608 | 1.2912 |
| p-menth-3-ene-1,2-diol | 0.7654 | 0.7145 | 2.7432 | 0.5343 | 0.6881 | 0.5545 |
| Pro-ala | 1.1380 | 0.9936 | 0.6495 | 0.5041 | 1.3762 | 1.3386 |
| Pro-Asn | 1.2325 | 0.9544 | 1.4419 | 0.9384 | 0.7992 | 0.6335 |
| Pro-Asp | 1.0996 | 0.8280 | 1.5801 | 0.9909 | 0.8271 | 0.6742 |
| Procurcumenol | 0.4860 | 0.2426 | 4.3760 | 0.2108 | 0.4637 | 0.2210 |
| Prolylproline | 1.0826 | 0.8267 | 0.9459 | 1.3619 | 0.7628 | 1.0201 |
| Pro-Pro-Asn | 0.3871 | 0.4915 | 1.2930 | 1.2379 | 1.2565 | 1.3341 |
| Punicic acid (9Z,11E,13Z-octadecatrienoic acid) | 0.6648 | 1.5764 | 0.6945 | 0.6387 | 1.3545 | 1.0711 |
| Putrescine | 1.1991 | 1.0130 | 0.7959 | 0.9887 | 1.0675 | 0.9357 |
| Pyridoxal | 0.9357 | 1.2409 | 1.0396 | 1.1437 | 0.6185 | 1.0217 |
| Pyridoxine | 1.1092 | 0.6433 | 1.8992 | 0.5231 | 0.9996 | 0.8256 |
| Pyridoxine-5^-O-(6^^-feruloyl)glucoside | 0.7580 | 0.6305 | 0.8093 | 1.0735 | 1.6326 | 1.0961 |
| Pyridoxine-5^-O-diglucoside | 0.8740 | 1.0259 | 1.0412 | 1.2984 | 0.6128 | 1.1477 |
| Pyridoxine-5^-O-glucoside | 0.8834 | 0.8875 | 1.3294 | 0.6636 | 1.0140 | 1.2222 |
| Pyroglutamic acid | 0.8628 | 1.3882 | 1.2441 | 0.7503 | 0.3087 | 1.4460 |
| Quercetin-3-O-glucoside-7-O-rhamnoside* | 0.9268 | 1.2300 | 0.8189 | 0.7787 | 0.9878 | 1.2579 |
| Quercetin-3-O-neohesperidoside* | 0.4688 | 0.1987 | 1.0755 | 1.2743 | 1.9123 | 1.0704 |
| Quinidine | 1.0100 | 0.9210 | 1.0827 | 0.6396 | 1.0148 | 1.3318 |
| (R)-3-ethyl-7-hydroxy-6-methoxyphthalide | 0.5463 | 0.8251 | 0.9461 | 1.0823 | 1.3264 | 1.2739 |
| (R)-Citronellol | 0.7913 | 1.0096 | 1.0001 | 0.8837 | 1.2659 | 1.0494 |
| Rel-(5R,6S,7R)-5,6,7,8-Tetrahydro-5,6,7-trihydroxy-2-[2-(4-methoxyphenyl)ethyl]-4H-1-benzopyran-4-one | 0.9181 | 0.9122 | 0.8129 | 0.8864 | 1.1012 | 1.3693 |
| Reseoside* | 0.8043 | 1.1619 | 0.9233 | 1.0929 | 1.0498 | 0.9679 |
| Rhodiolgin | 0.7779 | 0.9984 | 1.0782 | 0.8805 | 1.3590 | 0.9060 |
| Rhodionidin | 0.3456 | 0.3887 | 1.8158 | 1.0537 | 1.4760 | 0.9202 |
| Riboflavin (Vitamin B2) | 1.6686 | 1.0645 | 0.9637 | 0.6635 | 1.1014 | 0.5383 |
| Riboprine | 0.3004 | 0.6272 | 1.7775 | 2.4759 | 0.3248 | 0.4942 |
| Ribosyladenosine | 0.7218 | 0.6241 | 2.5671 | 0.2321 | 1.3751 | 0.4797 |
| (R)-Mandelamide | 0.8323 | 0.7829 | 0.9530 | 1.4968 | 0.7582 | 1.1770 |
| Robinetin | 0.8834 | 1.4536 | 0.7730 | 0.7375 | 1.1795 | 0.9731 |
| Rosmarinic acid | 0.8810 | 0.9826 | 1.0987 | 0.7552 | 1.0983 | 1.1843 |
| (S)-2,3-dihydroxypropyl (9Z,12Z,15Z)-octadeca-9,12,15-trienoate | 1.6322 | 1.6923 | 0.7665 | 0.5220 | 0.6164 | 0.7705 |
| S-(2-Carboxypropyl)cysteine | 0.5829 | 0.6054 | 1.3969 | 1.7180 | 0.7649 | 0.9319 |
| (S)-2-Phenyloxirane | 1.2550 | 0.9789 | 0.4170 | 0.6461 | 0.9930 | 1.7099 |
| S-(5^-Adenosy)-L-homocysteine | 1.2306 | 1.1185 | 0.9347 | 0.8100 | 0.8199 | 1.0863 |
| S-(5^-Adenosyl)-L-methionine | 0.9984 | 0.7929 | 0.6891 | 1.4214 | 1.2871 | 0.8111 |
| S-Adenosylmethionine | 1.0284 | 0.7785 | 0.5867 | 1.5226 | 1.2489 | 0.8351 |
| saffloquinoside A | 0.9960 | 1.2816 | 0.9522 | 0.5104 | 1.1921 | 1.0677 |
| saikolignanoside D* | 0.8521 | 0.8428 | 0.7806 | 1.1528 | 1.1869 | 1.1848 |
| Sakuraresinol | 1.1000 | 0.8133 | 0.8417 | 1.2329 | 1.2231 | 0.7890 |
| sanshodiol | 0.9210 | 0.9860 | 1.2742 | 1.2723 | 0.8658 | 0.6807 |
| Scopoletin (7-Hydroxy-6-methoxycoumarin)* | 1.1764 | 1.1307 | 0.8612 | 1.1177 | 0.7506 | 0.9633 |
| Scopoletin-7-O-glucoside (Scopolin) | 1.2544 | 0.9119 | 0.9644 | 1.3446 | 0.9548 | 0.5699 |
| Scopoletin-7-O-xylosyl(1→6)glucoside | 0.9918 | 0.9691 | 0.9022 | 0.8944 | 1.1320 | 1.1104 |
| Scrophuside | 0.7626 | 0.9302 | 1.1519 | 1.4466 | 0.8812 | 0.8276 |
| Secoisolariciresinol | 0.8844 | 1.1670 | 0.7424 | 0.9941 | 0.8839 | 1.3282 |
| secologanoside* | 0.5598 | 0.4775 | 0.7227 | 2.8003 | 0.9231 | 0.5166 |
| Secoxyloganin | 1.0804 | 0.9099 | 0.9237 | 0.9316 | 0.8705 | 1.2838 |
| Senkyunolide A | 1.3534 | 1.3883 | 1.1577 | 0.6932 | 0.6989 | 0.7085 |
| Senkyunolide H | 1.4608 | 1.3671 | 0.5696 | 0.5711 | 0.9562 | 1.0753 |
| Senkyunolide I | 1.5177 | 1.2798 | 0.5221 | 0.6890 | 0.9881 | 1.0032 |
| Senkyunolide K | 2.3733 | 0.1715 | 0.2019 | 0.0196 | 3.0998 | 0.1338 |
| Senkyunolide M | 0.8419 | 1.1287 | 0.9276 | 1.2050 | 1.1271 | 0.7698 |
| Ser-Abu-OH | 0.9049 | 0.7945 | 1.1035 | 1.1561 | NA | 1.0410 |
| Ser-HoPhe-OH | 0.8204 | 0.8235 | 1.5194 | 0.6878 | 1.2194 | 0.9296 |
| Ser-Leu-Leu | 0.4183 | 0.3809 | 2.4625 | 1.4483 | 0.5165 | 0.7734 |
| Ser-Lys | 0.8745 | 0.8094 | 1.1511 | 1.2354 | 1.0254 | 0.9042 |
| Ser-Val-Leu | 0.5597 | 0.7961 | 1.3688 | 1.4417 | NA | 0.8337 |
| Sinapoylagmatine | 0.9944 | 1.0487 | 0.8809 | 1.1220 | 0.7935 | 1.1605 |
| Sinapyl fraxin | 0.8881 | 1.2964 | 0.8681 | 0.8931 | 0.8431 | 1.2112 |
| Skimmin (7-Hydroxycoumarin-7-O-glucoside) | 1.3667 | 0.9106 | 1.4094 | 1.5149 | 0.4356 | 0.3628 |
| S-(Methyl)glutathione | 1.5117 | 0.9488 | 0.5924 | 0.6924 | 1.0742 | 1.1805 |
| S-Methyl-L-cysteine | 0.7029 | 0.9174 | 0.7725 | 1.9770 | 0.6655 | 0.9647 |
| Spermine | 0.9595 | 0.8306 | 1.0620 | 0.8796 | 1.3738 | 0.8946 |
| (S)-Peucedanol | 0.9652 | 0.9130 | 1.0939 | 1.0183 | 0.7024 | 1.3072 |
| Stearidonic acid | 0.9801 | 1.0612 | 0.8845 | 1.0646 | 1.1764 | 0.8332 |
| Stellarin | 0.7059 | 0.9284 | 0.8846 | 0.8611 | 1.2663 | 1.3538 |
| Strictamine | 0.9215 | 0.7792 | 1.2523 | 1.3251 | 0.8504 | 0.8715 |
| Suberylglycine | 0.7597 | 1.0305 | 1.0319 | 1.2301 | 1.2308 | 0.7170 |
| Succinic anhydride | 0.9224 | 0.9659 | 1.2594 | 0.8608 | 0.9963 | 0.9952 |
| Succinyladenosine | 0.9506 | 0.4945 | 1.8297 | 1.1735 | 1.1448 | 0.4071 |
| Sugiol | 0.6636 | 1.8060 | 2.3352 | 0.7038 | 0.2894 | 0.2019 |
| Suspenolic acid | 0.8823 | 0.9283 | 1.5070 | 1.3728 | 0.6134 | 0.6962 |
| Symplocosin* | 0.8635 | 0.7630 | 0.7664 | 1.2037 | 1.1320 | 1.2714 |
| Syringetin-3-O-(6^^-Acetyl)glucoside | 0.7808 | 1.4320 | 0.8120 | 0.8762 | 1.1393 | 0.9596 |
| Tanegoside | 1.0397 | 1.0989 | 0.8220 | 1.0330 | 0.8229 | 1.1834 |
| Taxiresinol | 1.1190 | 0.8201 | 1.2641 | 1.3659 | 0.3448 | 1.0861 |
| Tectochrysin | 0.8701 | 0.7815 | 2.8220 | 0.5416 | 0.3869 | 0.5980 |
| Tetradecasphinganine* | 1.0157 | 1.0434 | 1.0313 | 1.0213 | 0.9513 | 0.9370 |
| Tetradecyldiethanolamine | 1.0413 | 1.0099 | 1.0274 | 1.0050 | 0.9766 | 0.9397 |
| Thiamine (Vitamin B1) | 0.9666 | 0.9649 | 1.1672 | 1.2908 | 1.0183 | 0.5922 |
| Thr-Ala-Gln | 0.6162 | 0.7845 | 0.9877 | 1.0065 | 1.4471 | 1.1581 |
| Thr-Asn-Asp | 1.6161 | 1.7422 | 0.4238 | 0.6817 | 0.7782 | 0.7581 |
| Thr-Asn-Tyr | 1.0695 | 0.6276 | 1.9035 | 0.8950 | 0.9353 | 0.5691 |
| Thr-Thr | 1.1420 | 0.8387 | 1.0027 | 1.0266 | 0.9969 | 0.9930 |
| Thr-Tyr | 0.8476 | 0.9284 | 2.1619 | 0.4427 | 1.1547 | 0.4646 |
| trachelosiaside | 0.7960 | 0.9094 | 0.5908 | 0.8645 | 1.1318 | 1.7074 |
| Tranexamic Acid | 1.0325 | 0.8220 | 0.8411 | 0.4381 | 0.7913 | 2.0749 |
| trans-1,2-dihydrodehydroguaiaretic acid | 1.7812 | 2.6226 | 0.4956 | 0.4070 | 0.1926 | 0.5011 |
| trans-Aconitic acid | 0.8665 | 0.9694 | 0.9217 | 1.0548 | 1.1980 | 0.9895 |
| Tricin-5-O-Glucoside | 0.9955 | 1.1586 | 0.3616 | 0.9085 | 1.2743 | 1.3015 |
| Triethylamine | 0.9925 | 1.0110 | 1.1663 | 0.8291 | 0.8929 | 1.1082 |
| Triethyl citrate | 1.0793 | 0.9643 | 0.8747 | 1.0706 | 0.9108 | 1.1003 |
| Trigonelline | 0.8803 | 0.9077 | 0.6697 | 0.5823 | 1.0544 | 1.9055 |
| Trimethyllysine | 0.7945 | 0.9168 | 1.3636 | 1.3730 | 0.7348 | 0.8174 |
| Tryptamine | 1.1878 | 0.7325 | 0.9850 | 1.6470 | 0.6701 | 0.7776 |
| Tutin diacetate | 1.2999 | 1.2462 | 0.8516 | 0.5919 | 1.0874 | 0.9230 |
| Tyr-Ala | 0.6444 | 1.4516 | 1.2743 | 1.5141 | 0.4870 | 0.6286 |
| Tyrosylleucine | 0.7468 | 0.3240 | 2.2419 | 1.3491 | 0.4435 | 0.8948 |
| Umbelliferone 7-O-Rutinoside | 1.2139 | 0.7475 | 1.1142 | 1.4364 | 0.4880 | NA |
| Urinatetralin | 0.8355 | 0.8283 | 0.9464 | 1.1666 | 0.9971 | 1.2261 |
| Val-Trp | 0.6499 | 0.4675 | 1.5968 | 2.1477 | 0.4588 | 0.6794 |
| Val-Tyr | 0.5882 | 2.2163 | 1.0544 | 0.9878 | 0.5294 | 0.6239 |
| Val-Val | 1.2439 | 1.0499 | 0.8248 | 1.0804 | 0.8892 | 0.9119 |
| Vanillin acetate | 0.6913 | 1.0338 | 1.2659 | 1.0369 | 1.0984 | 0.8737 |
| Vidarabine | 1.6899 | 1.3019 | 0.5889 | 0.8682 | 0.5241 | 1.0270 |
| Virgatic acid | 1.9195 | 1.4955 | 0.9902 | 0.3891 | 0.7678 | 0.4379 |
| Vitexdoin C | 0.8736 | 1.0170 | 1.0425 | 0.9239 | 1.1682 | 0.9748 |
| Vitexin-2^^-O-galactoside | 0.7256 | 1.2688 | 1.5209 | 1.2753 | 0.5043 | 0.7051 |
| Wogonin-7-O-Glucuronide (Wogonoside) | 0.4281 | 0.4203 | 1.5867 | 1.5537 | 1.3928 | 0.6184 |
| Xanthurenate-8-O-beta-D-glucoside | 0.9490 | 0.9316 | 1.0829 | 0.9098 | 0.9561 | 1.1705 |
| Xylocarpin I | 0.9229 | 0.8858 | 0.9040 | 0.8231 | 1.3706 | 1.0936 |
| Yuanhuanin* | 0.8031 | 0.8750 | 0.7797 | 1.0579 | 1.2523 | 1.2321 |
| α-Conidendrin | 1.0798 | 0.6987 | 1.0222 | 1.2139 | 1.2004 | 0.7851 |
| α-D-glucosyl-(1→1^)-3^-amino-3^-deoxy-β-D-glucoside | 0.8467 | 0.9718 | 1.1140 | 1.1228 | 1.2779 | 0.6669 |
| Α-hydroxyquinoline | 1.7417 | 0.7637 | 0.9528 | 1.3987 | 0.4789 | 0.6641 |
| β-Nicotinamide mononucleotide | 1.7940 | 1.9193 | 0.6635 | 0.5535 | 0.4036 | 0.6661 |
| γ-Aminobutyric acid | 0.4916 | 0.5070 | 0.5816 | 2.2575 | 0.2883 | 1.8739 |
| γ-Glutamyl-L-valine | 0.9852 | 1.4585 | 1.6965 | 0.7869 | 0.4779 | 0.5950 |
| γ-glutamylmethionine | 0.4021 | 0.5368 | 1.0704 | 0.8634 | 1.6764 | 1.4509 |
| γ-Glutamyltyrosine | 0.6316 | 1.2328 | 0.7924 | 1.2570 | 0.8851 | 1.2012 |
| γ-L-Glutamyl-L-[S-(4-hydroxyphenylbenzyl)]cysteine glycine | NA | NA | NA | NA | 1.0000 | NA |
| δ-Guanidinovaleric acid | 0.8954 | 0.4272 | 2.8349 | 0.1553 | 1.4725 | 0.2147 |
| δ-Tocotrienol | 1.4486 | 0.6408 | 1.3891 | 0.6280 | 1.6254 | 0.2683 |
Factors:
| F1 | Sample source:Plant | Species:Black | Type:Gallery |
| F2 | Sample source:Plant | Species:Black | Type:Phloem |
| F3 | Sample source:Plant | Species:Green | Type:Gallery |
| F4 | Sample source:Plant | Species:Green | Type:Phloem |
| F5 | Sample source:Plant | Species:White | Type:Gallery |
| F6 | Sample source:Plant | Species:White | Type:Phloem |