Data for (Study ST003172)

(Analysis AN005206)

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

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MetaboliteF1F2F3F4F5F6F7F8F9F10F11F12F13F14F15F16
10-Nitrolinoleate NA 1.8005 NA 0.1651 NA 0.2148 NA 0.2537 NA 0.1599 NA 1.0462 NA 3.8884 NA 0.4714
11,22-dimethyl (6E,17E)-3,14-dioxo-8,19-bis({[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})-4,9,15,20-tetraoxatricyclo[16.4.0.0?,??]docosa-6,10,17,21-tetraene-11,22-dicarboxylate 0.4496 NA 1.7745 NA 1.0036 NA 0.5202 NA 0.4953 NA 0.4079 NA 2.5506 NA 0.7982 NA
(1)-1,5-Anhydro-1-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-8-yl]-D-galactitol 1.1442 NA 0.9558 NA 2.0795 NA 0.6483 NA 0.6079 NA 0.8447 NA 0.7116 NA 1.0080 NA
11-Deoxy prostaglandin F2 0.0232 NA 0.1316 NA 0.1659 NA 1.9492 NA 3.2890 NA 1.4652 NA 0.0231 NA 0.9528 NA
11-Hydroxy-Delta-9-Thc NA 0.0720 NA 0.1285 NA 1.5110 NA 2.0528 NA 1.4145 NA 1.7326 NA 0.0632 NA 1.0253
11-nor-9-Carboxy-Delta-9-THC-D9 NA 0.7056 NA 0.0471 NA 0.0696 NA 4.8302 NA 0.1496 NA 0.3251 NA 0.7469 NA 1.1260
(+/-)12(13)-DiHOME 4.2243 NA 0.2042 NA 0.2060 NA 0.1886 NA 0.1375 NA 1.0983 NA 0.8355 NA 1.1057 NA
1,2,3-cyclopropanetricarboxylic acid 1.4479 NA 0.6101 NA 0.8699 NA 0.5948 NA 0.6892 NA 1.5900 NA 1.1512 NA 1.0470 NA
1,2-dihydroxyheptadec-16-yn-4-yl acetate NA 0.0079 NA 1.2192 NA 2.2169 NA 1.5735 NA 1.1496 NA 0.6840 NA 0.0079 NA 1.1409
12-Oxo phytodienoic acid 0.0636 2.6566 0.0114 0.5644 0.0422 1.1056 0.0047 0.1079 0.0046 0.1551 0.0726 1.4204 0.3832 7.8663 0.0525 1.4888
1-[(2R,4S,5R)-5-(3-Cyclohexyl-1-methyl-1H-pyrazol-5-yl)-1-azabicyclo[2.2.2]oct-2-yl]-N-(4-methoxybenzyl)methanamine NA 6.2998 NA 0.0855 NA 0.0653 NA 0.0813 NA 0.0705 NA 0.3183 NA 0.1653 NA 0.9140
13,14-dihydro Prostaglandin F1? 5.8650 NA 0.2451 NA 0.1462 NA 0.1385 NA 0.1522 NA 0.1683 NA 0.7071 NA 0.5776 NA
1,3-Dimethylbutylamine NA 0.0656 NA 0.1134 NA 2.0565 NA 1.6331 NA 1.5733 NA 1.5410 NA 0.0075 NA 1.0096
(+/-)13-HODE 2.6736 NA 0.1169 NA 0.0572 NA 0.0243 NA 0.0216 NA 0.3585 NA 3.9323 NA 0.8157 NA
13(S)-HOTrE 2.6440 1.1462 0.2573 0.0851 0.6250 0.0226 0.2187 0.0123 0.3999 0.0076 1.7614 0.1173 3.4795 3.5819 1.1748 0.4664
1,4a-Dimethyl-6-methylene-5-[2-(2-oxo-2,5-dihydro-3-furanyl)ethyl]decahydro-1-naphthalenecarboxylic acid NA 0.8486 NA 0.0700 NA 0.5131 NA 0.8986 NA 1.5363 NA 2.9322 NA 0.0829 NA 1.1183
1-(4-benzhydrylpiperazino)-3-[4-(1,2,3-thiadiazol-4-yl)phenoxy]-2-propanol NA 0.6609 NA 0.4856 NA 1.0133 NA 1.3162 NA 1.5864 NA 1.4830 NA 0.5574 NA 0.8970
1,4-Cyclohexanedicarboxylic acid 0.7909 NA 2.9897 NA 1.2834 NA 0.2703 NA 0.1709 NA 0.4766 NA 1.0616 NA 0.9565 NA
1,4-dihydroxyheptadec-16-en-2-yl acetate NA 0.0322 NA 5.1876 NA 1.2848 NA 0.0525 NA 0.0458 NA 0.2161 NA 0.0110 NA 1.1699
1-(4-hydroxyphenyl)-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-1-one 0.9683 NA 1.1215 NA 0.9442 NA 0.7524 NA 0.5194 NA 0.6764 NA 2.2254 NA 0.7924 NA
15-Acetyldeoxynivalenol 1.0119 NA 0.2347 NA 2.1638 NA 1.9166 NA 1.0142 NA 0.5898 NA 0.1604 NA 0.9086 NA
1,5-Anhydro-1-[5,7-dihydroxy-3-(4-hydroxyphenyl)-4-oxo-4H-chromen-8-yl]hexitol NA 1.9994 NA 1.0776 NA 1.4129 NA 0.3092 NA 0.2997 NA 0.4721 NA 1.4016 NA 1.0276
1,5-Isoquinolinediol NA 2.0529 NA 2.1364 NA 0.0453 NA 0.0236 NA 0.0430 NA 0.0589 NA 2.8468 NA 0.7930
1,5-Naphthalenediamine NA 1.9009 NA 0.6925 NA 0.8977 NA 0.5340 NA 1.1871 NA 1.4591 NA 0.1663 NA 1.1625
(15Z)-9,12,13-Trihydroxy-15-octadecenoic acid 3.7975 NA 0.2069 NA 0.1874 NA 0.1471 NA 0.0645 NA 1.0614 NA 1.2715 NA 1.2638 NA
16,17-Dihydroxykauran-18-oic acid 1.9154 NA 0.7353 NA 0.1530 NA 0.0910 NA 0.0773 NA 0.2465 NA 4.0346 NA 0.7469 NA
16-(Hexopyranosyloxy)-7-hydroxy-8,9-epoxypimaran-18-oic acid 4.7127 NA 0.3914 NA 0.1757 NA 0.0798 NA 0.0687 NA 0.3935 NA 1.1645 NA 1.0137 NA
16-Hydroxyhexadecanoic acid 5.4090 NA 0.3450 NA 0.1180 NA 0.0470 NA 0.0697 NA 0.1861 NA 0.8802 NA 0.9451 NA
17-Methyl-androstan-3-hydroxyimine-17-ol NA 4.0452 NA 0.1247 NA 0.3184 NA 0.2434 NA 0.3498 NA 0.7240 NA 0.9476 NA 1.2470
(+/-)19(20)-DiHDPA 0.0232 NA 0.0106 NA 0.2406 NA 2.2940 NA 3.3897 NA 1.1058 NA 0.0262 NA 0.9098 NA
19-Norandrostenedione NA 0.2444 NA 1.0301 NA 0.7192 NA 0.5434 NA 1.0809 NA 1.5069 NA 1.8848 NA 0.9903
19(R)-Hydroxy prostaglandin F2 4.4558 NA 0.2153 NA 0.2036 NA 0.1391 NA 0.1390 NA 0.1457 NA 1.9122 NA 0.7893 NA
(1aR,2E,4aR,6S,7S,7aR,8R,11aS)-1,1,3,6-Tetramethyl-9-methylene-4-oxo-1,1a,4,5,6,7,7a,8,9,10,11,11a-dodecahydro-4aH-cyclopenta[a]cyclopropa[f][11]annulene-4a,7,8-triyl triacetate NA 0.0402 NA 0.0214 NA 1.2963 NA 2.1220 NA 2.1021 NA 1.3951 NA 0.0115 NA 1.0114
1-Cyclohexyl-3-[(1S,11aS)-5,11-dioxo-7-(2-thienyl)-2,3,5,10,11,11a-hexahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-1-yl]urea 0.1506 NA 0.0678 NA 0.0971 NA 2.0693 NA 3.4635 NA 1.2286 NA 0.0690 NA 0.8541 NA
1-(-D-Glucopyranosyloxy)-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylic acid 0.7233 NA 0.7191 NA 0.4238 NA 0.2870 NA 0.9969 NA 3.4875 NA 0.4370 NA 0.9254 NA
1-Dodecyl-2-pyrrolidinone NA 0.0273 NA 0.2338 NA 1.4131 NA 2.0265 NA 1.6405 NA 1.5278 NA 0.0416 NA 1.0893
1-heptadecanoyl-2-hydroxy-sn-glycero-3-phosphocholine NA 4.2877 NA 0.3231 NA 0.5457 NA 0.4253 NA 0.3773 NA 0.5698 NA 0.4198 NA 1.0513
1"^-Hydroxy-2"^,3"^-Epoxylupinifolin 0.5416 NA 1.8252 NA 1.4022 NA 0.5513 NA 0.3404 NA 0.0886 NA 2.1824 NA 1.0682 NA
1-Linoleoyl glycerol NA 2.4191 NA 0.4301 NA 0.1885 NA 0.1646 NA 0.1629 NA 1.8876 NA 1.6924 NA 1.0548
1-Methyladenine NA 2.7417 NA 0.7771 NA 1.0326 NA 0.2939 NA 0.1080 NA 0.1188 NA 1.6580 NA 1.2698
1-Methylguanine NA 3.0678 NA 0.3455 NA 0.5102 NA 0.5520 NA 0.4346 NA 0.3662 NA 1.7146 NA 1.0093
1-Myristoyl-2-Hydroxy-sn-Glycero-3-Phosphate (Sodium Salt) Sodium Salt 0.6461 NA 0.5917 NA 0.4301 NA 0.5575 NA 0.5837 NA 3.3082 NA 0.8709 NA 1.0117 NA
1-Nitrosopiperidine (NPIP) NA 0.5207 NA 2.3838 NA 0.0918 NA 0.0168 NA 0.0154 NA 0.0255 NA 4.2290 NA 0.7170
1-O-b-D-glucopyranosyl sinapate 0.0906 NA 0.5137 NA 1.4974 NA 1.5019 NA 1.7360 NA 1.3241 NA 0.3572 NA 0.9790 NA
1-palmitoyl-2-hydroxy-sn-glycero-3-phosphoethanolamine NA 2.0900 NA 1.3459 NA 1.0222 NA 0.5231 NA 0.3854 NA 0.5130 NA 1.1020 NA 1.0184
1-pentadecanoyl-2-hydroxy-sn-glycero-3-phosphocholine NA 3.2240 NA 0.7543 NA 0.7600 NA 0.1756 NA 0.2568 NA 1.0172 NA 0.7593 NA 1.0529
{(1R,2R)-2-[(2Z)-5-(Hexopyranosyloxy)-2-penten-1-yl]-3-oxocyclopentyl}acetic acid 4.1144 NA 0.4915 NA 0.3595 NA 0.3118 NA 0.3748 NA 0.2552 NA 0.8509 NA 1.2419 NA
(1R,2S,3R,4R)-3-[(Cyclopentylmethyl)amino]-4-phenyl-1,2-cyclopentanediol NA 0.4969 NA 2.1980 NA 1.8109 NA 0.0615 NA 0.2685 NA 0.1705 NA 2.0425 NA 0.9512
(1r,3R,4s,5S)-4-{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-1,3,5-trihydroxycyclohexane-1-carboxylic acid NA 1.2801 NA 2.2748 NA 1.0022 NA 0.4718 NA 0.3986 NA 0.3683 NA 1.0996 NA 1.1046
(1R,4aS,5R,8aS)-5-(5-hydroxy-3-methylpentyl)-1,4a-dimethyl-6-methylidene-decahydronaphthalene-1-carboxylic acid NA 1.7883 NA 1.1435 NA 0.0977 NA 0.1075 NA 0.0737 NA 0.0750 NA 3.9788 NA 0.7356
(1R,9R)-N-(3-Fluorophenyl)-5-(2-naphthyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide 0.7407 NA 0.0556 NA 0.0572 NA 0.0518 NA 0.0657 NA 5.7173 NA 0.0901 NA 1.2216 NA
(1S,3R,4R,5R)-1,3,4-trihydroxy-5-{[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}cyclohexane-1-carboxylic acid 1.2086 0.6318 1.1426 0.6135 2.1666 0.2034 2.0186 0.1686 2.1576 0.1282 2.0927 0.2864 0.7501 0.5341 1.5369 0.3603
(1S,4R,6S)-1,3,3-Trimethyl-2-oxabicyclo[2.2.2]oct-6-yl hexopyranoside 3.5264 NA 0.6185 NA 0.1304 NA 0.0349 NA 0.0493 NA 0.2577 NA 2.5816 NA 0.8012 NA
(1S,4S,5R,10S,13S,17S,19S,20R)-10-hydroxy-4,5,9,9,13,19,20-heptamethyl-24-oxahexacyclo[15.5.2.0a,a.0,a.0,a.0,al]tetracos-15-en-23-one NA 0.0668 NA 0.0634 NA 0.3792 NA 2.0448 NA 1.2593 NA 3.0726 NA 0.0723 NA 1.0414
(1S,4S,5R,9R,13S)-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.0a,a.0,a]hexadec-10-ene-5-carboxylic acid NA 3.2611 NA 0.7018 NA 0.5376 NA 0.1942 NA 0.2007 NA 0.2318 NA 1.7294 NA 1.1434
(1S,6R,11aR,13R,14aS)-1,13-dihydroxy-6-methyl-1H,4H,6H,7H,8H,9H,11aH,12H,13H,14H,14aH-cyclopenta[f]oxacyclotridecan-4-one NA 4.0490 NA 0.4044 NA 0.1847 NA 0.1219 NA 0.1073 NA 0.1216 NA 2.0168 NA 0.9942
1-Stearoylglycerol NA 2.7838 NA 0.2931 NA 0.3026 NA 0.2035 NA 0.2131 NA 2.1299 NA 1.0078 NA 1.0662
1-Stearoyl-sn-glycero-3-phosphocholine NA 4.0972 NA 0.3119 NA 0.3340 NA 0.2600 NA 0.3077 NA 0.9344 NA 0.7242 NA 1.0305
1-Tetradecylamine NA 0.0675 NA 0.0726 NA 0.3136 NA 1.0605 NA 2.5129 NA 3.0309 NA 0.0638 NA 0.8783
20-beta-Dihydrocortisol NA 0.4082 NA 2.4043 NA 1.9074 NA 1.1462 NA 0.3542 NA 0.3451 NA 0.1918 NA 1.2428
2,2,6,6-Tetramethyl-1-piperidinol (TEMPO) NA 0.1151 NA 0.2618 NA 1.4799 NA 1.3492 NA 1.3188 NA 2.0405 NA 0.3371 NA 1.0975
2-(2-amino-3-methylbutanamido)-3-phenylpropanoic acid NA 5.2681 NA 0.1020 NA 0.0586 NA 0.0318 NA 0.0637 NA 0.8289 NA 0.2240 NA 1.4228
2,2^-Methylenebis(4-methyl-6-tert-butylphenol) 0.5080 NA 1.1623 NA 0.8300 NA 0.8211 NA 1.0624 NA 0.7701 NA 2.0272 NA 0.8189 NA
2-(2-thienyl)-4H-chromen-4-one NA 0.1583 NA 0.2796 NA 0.2761 NA 1.3626 NA 2.4549 NA 2.3516 NA 0.4101 NA 0.7068
2-[2-[(Z)-pent-2-enyl]-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclopentyl]acetic acid 3.5988 NA 0.8945 NA 0.6009 NA 0.2731 NA 0.1378 NA 0.2341 NA 1.3251 NA 0.9355 NA
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}-4H-chromen-4-one NA 0.1909 NA 2.9071 NA 2.0580 NA 0.4626 NA 0.4430 NA 0.4244 NA 0.4010 NA 1.1129
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-1-benzopyran-4-one NA 5.6403 NA 0.1134 NA 0.3108 NA 0.1117 NA 0.1175 NA 0.1696 NA 0.1299 NA 1.4068
2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl 6-O--D-xylopyranosyl--D-glucopyranoside 3.7808 NA 0.5743 NA 0.1470 NA 0.1276 NA 0.0975 NA 0.4511 NA 1.0899 NA 1.7319 NA
2-{3-[(4E)-6-Acetoxy-2-hydroxy-6-methyl-3-oxo-4-hepten-2-yl]-6-(carboxymethyl)-2-hydroxy-3a,5a,9b-trimethyl-5-oxo-2,3,3a,4,5,5a,6,9,9a,9b-decahydro-1H-cyclopenta[a]naphthalen-7-yl}-2-methylpropanoic acid NA 1.8348 NA 1.2198 NA 0.7746 NA 0.3125 NA 0.3161 NA 0.2526 NA 2.0603 NA 1.2293
2-[3,8-Dihydroxy-8-(hydroxymethyl)-3-methyl-2-oxodecahydro-5-azulenyl]-2-propanyl hexopyranoside 2.4247 NA 0.3402 NA 1.1731 NA 1.2633 NA 0.8450 NA 0.5115 NA 0.4165 NA 1.0258 NA
2,3-Dihydro-1-benzofuran-2-carboxylic acid 0.0387 NA 0.7456 NA 1.7426 NA 1.9764 NA 1.2635 NA 1.2588 NA 0.0366 NA 0.9379 NA
2-[(3R,4S)-3-({5-[(Phenylsulfanyl)methyl]-1,2-oxazol-3-yl}methyl)-4-piperidinyl]-N-(1,3-thiazol-2-yl)acetamide 0.2176 NA 0.2265 NA 0.5963 NA 1.0496 NA 2.2994 NA 2.2690 NA 0.4947 NA 0.8469 NA
2^,4^,3,4,alpha-Pentahydroxydihydrochalcone 3^-C-xyloside 0.7375 NA 0.1302 NA 1.0880 NA 0.8407 NA 1.7975 NA 2.1464 NA 0.1229 NA 1.1367 NA
2-[4-[(3S,3aR,6S,6aR)-6-[3-methoxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-2-methoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol 0.1944 NA 0.3360 NA 0.9365 NA 1.9513 NA 1.2988 NA 0.1482 NA 2.4394 NA 0.6955 NA
2-[4-[4-[hydroxy-(4-hydroxy-3-methoxyphenyl)methyl]-3-(hydroxymethyl)oxolan-2-yl]-2-methoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol 2.2725 NA 1.3029 NA 0.6833 NA 0.4105 NA 0.3464 NA 0.3567 NA 1.5056 NA 1.1220 NA
2,4,6-Trihydroxy-2-(4-hydroxybenzyl)-1-benzofuran-3(2H)-one 6.9570 NA 0.0176 NA 0.0173 NA 0.0144 NA 0.0138 NA 0.0138 NA 0.0237 NA 0.9424 NA
2^,4^,6^-Trihydroxy-3^-prenyldihydrochalcone NA 3.9693 NA 0.9650 NA 0.4093 NA 0.3192 NA 0.1900 NA 0.1692 NA 0.7477 NA 1.2303
2-[4a-methyl-8-methylidene-4-(3-methylpentanoyloxy)-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl]prop-2-enoic acid NA 0.0146 NA 0.5260 NA 2.0676 NA 1.1338 NA 1.4656 NA 1.6494 NA 0.0672 NA 1.0758
2,4-difluorophenyl 4-{[(5-{[(dimethylamino)methylidene]amino}-1,3,4-thiadiazol-2-yl)thio]methyl}benzoate NA 0.2640 NA 2.1863 NA 4.1234 NA 0.6001 NA 0.2498 NA 0.0853 NA 0.2494 NA 0.2416
2,4-dihydroxyheptadec-16-en-1-yl acetate NA 0.2937 NA 1.1952 NA 2.5269 NA 1.1754 NA 0.9045 NA 0.6261 NA 0.1921 NA 1.0862
2-(4-Hydroxyphenyl)ethyl 6-O-[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-beta-D-glucopyranoside 0.3368 NA 0.2367 NA 1.6346 NA 1.7365 NA 1.1688 NA 1.7922 NA 0.2023 NA 0.8922 NA
2-(4-Methyl-3-cyclohexen-1-yl)-2-propanyl 6-O-(6-deoxy--L-mannopyranosyl)--D-glucopyranoside 3.2170 NA 0.2997 NA 0.2613 NA 0.3760 NA 0.4290 NA 0.5409 NA 1.4886 NA 1.3874 NA
2",6"-Di-O-Acetyl isovitexin 3.7000 NA 1.6007 NA 0.1857 NA 0.3720 NA 0.5134 NA 0.4697 NA 0.2580 NA 0.9006 NA
2-(acetylamino)-4-(methylthio)butanoic acid 4.4681 NA 0.0189 NA 0.0214 NA 0.0288 NA 0.0512 NA 1.6464 NA 0.3920 NA 1.3732 NA
2-(Acetylamino)hexanoic acid 2.3666 NA 1.0691 NA 0.3969 NA 0.4922 NA 0.4843 NA 0.5073 NA 1.7699 NA 0.9138 NA
2-Amino-1,3,4-octadecanetriol NA 3.3277 NA 0.5376 NA 0.1608 NA 0.1505 NA 0.5772 NA 0.5302 NA 1.7416 NA 0.9744
(2-aminoethoxy)[2-hydroxy-3-(octadecanoyloxy)propoxy]phosphinic acid 3.5233 NA 0.5634 NA 0.6580 NA 0.4191 NA 0.4147 NA 0.5360 NA 0.8742 NA 1.0114 NA
2-Aminooctadec-4-yne-1,3-diol NA 5.9856 NA 0.0388 NA 0.0263 NA 0.0084 NA 0.0104 NA 0.0890 NA 0.7587 NA 1.0829
2-Aminooctanedioic acid 0.8475 NA 0.7317 NA 0.9596 NA 1.1601 NA 1.0218 NA 0.7185 NA 1.4272 NA 1.1337 NA
2-benzyl-6-hydroxy-2-azabicyclo[2.2.2]octan-3-one NA 0.7895 NA 1.2185 NA 1.6287 NA 0.6780 NA 0.8062 NA 0.9501 NA 0.9385 NA 0.9906
2-(benzylamino)-6-methyl-5-(2-methyl-1,3-thiazol-4-yl)nicotinonitrile NA 0.7744 NA 0.9740 NA 1.6337 NA 1.0920 NA 1.3573 NA 0.5573 NA 0.6317 NA 0.9796
2^-Deoxyadenosine NA 4.8692 NA 0.1941 NA 0.0769 NA 0.0275 NA 0.0223 NA 0.0871 NA 1.5308 NA 1.1920
2^-Deoxyguanosine 5^-monophosphate (dGMP) 0.1982 NA 2.3811 NA 2.0315 NA 0.6490 NA 0.5809 NA 0.6567 NA 0.7866 NA 0.7161 NA
2^-Deoxyinosine 5.3467 NA 0.1997 NA 0.1985 NA 0.1398 NA 0.1313 NA 0.1216 NA 0.1116 NA 1.7509 NA
(2E,2^E)-N,N^-1,4-Butanediylbis[3-(4-hydroxyphenyl)acrylamide] NA 6.4730 NA 0.0071 NA 0.0237 NA 0.0056 NA 0.0061 NA 0.0052 NA 0.0165 NA 1.4629
(2E)-3-(4-Hydroxyphenyl)-N-[2-(4-hydroxyphenyl)ethyl]acrylamide NA 6.5438 NA 0.0053 NA 0.0174 NA 0.0020 NA 0.0022 NA 0.0020 NA 0.0292 NA 1.3981
(2E,4E)-N-(2-methylpropyl)deca-2,4-dienamide NA 0.1119 NA 0.2430 NA 1.0818 NA 1.6356 NA 1.5986 NA 2.0147 NA 0.2742 NA 1.0401
(2E,4E)-N-(2-methylpropyl)dodeca-2,4-dienamide NA 0.0240 NA 0.2952 NA 2.1510 NA 1.7321 NA 1.5114 NA 1.1881 NA 0.0257 NA 1.0726
(2E)-5-{(1R,4aS,5S,6R,8aS)-5-[(-D-Glucopyranosyloxy)methyl]-6-hydroxy-5,8a-dimethyl-2-methylenedecahydro-1-naphthalenyl}-3-methyl-2-penten-1-yl -D-glucopyranoside NA 4.1168 NA 1.0810 NA 0.4206 NA 0.0591 NA 0.0673 NA 0.1099 NA 1.0028 NA 1.1426
(2E,6E,10E)-14-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-2,6,10,14-tetramethylhexadeca-2,6,10,15-tetraenoic acid 5.1737 NA 0.3357 NA 0.1628 NA 0.0971 NA 0.0973 NA 0.5452 NA 0.6784 NA 0.9097 NA
2-Furoic acid 1.3775 0.0137 0.7071 0.0558 0.9649 0.0509 2.4420 0.0725 3.4106 0.0726 3.3177 0.0694 1.1551 0.0376 2.2085 0.0440
2-Hydroxy-1-(4-methoxyphenyl)propyl hexopyranoside 0.3038 NA 1.6141 NA 1.9324 NA 0.2589 NA 0.3086 NA 0.5380 NA 2.0266 NA 1.0176 NA
2-Hydroxy-2-methyl-3-buten-1-yl beta-D-glucopyranoside 0.1653 NA 1.4381 NA 1.8554 NA 0.8993 NA 1.0457 NA 1.2161 NA 0.5517 NA 0.8284 NA
[2-hydroxy-3-[hydroxy-[2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxypropyl] octadecanoate 5.7517 NA 0.0731 NA 0.0585 NA 0.0602 NA 0.0958 NA 0.4760 NA 0.3686 NA 1.1162 NA
2-hydroxy-6-[(8Z,11Z)-pentadeca-8,11,14-trienyl]benzoic acid 0.0542 NA 0.0592 NA 0.1100 NA 1.3267 NA 2.7857 NA 2.5821 NA 0.0509 NA 1.0312 NA
2^-Hydroxyaurone 2^-gentiobioside 0.8228 0.4686 1.0217 1.9344 0.2240 2.1730 0.0799 2.6612 0.0951 2.6822 0.0967 1.3078 0.7086 0.7088 0.3195 0.6957
2^-Hydroxyfurano [ 2",3":4^,3^ ] chalcone 1.7066 8.1861 0.0085 0.0192 0.0078 0.0192 0.0083 0.0196 0.0106 0.0218 0.4645 2.7529 0.0253 0.2058 0.3612 2.1826
2-(hydroxymethyl)-6-{5-[3-(hydroxymethyl)-5-(3-hydroxypropyl)-7-methoxy-2,3-dihydro-1-benzofuran-2-yl]-2-methoxyphenoxy}oxane-3,4,5-triol NA 0.0131 NA 0.0767 NA 2.2441 NA 2.3231 NA 1.4704 NA 1.0527 NA 0.0111 NA 0.8087
2-Hydroxymyristic acid 4.8139 NA 0.1673 NA 0.1505 NA 0.1789 NA 0.1958 NA 0.3360 NA 1.1803 NA 0.9773 NA
2-Isobutyl-3-methoxypyrazine NA 0.2542 NA 2.0735 NA 1.6842 NA 0.5574 NA 0.5786 NA 0.8249 NA 1.2828 NA 0.7445
2-Isopropyl-5-thieno[3,2-b]thiophen-2-yl-1,3,4-oxadiazole NA 0.7979 NA 0.1853 NA 0.5636 NA 1.6709 NA 1.8546 NA 1.8266 NA 0.1807 NA 0.9205
2-Isopropylmalic acid 2.7103 NA 0.1696 NA 0.5517 NA 0.2885 NA 0.3690 NA 0.8785 NA 1.6966 NA 1.3358 NA
2-Methoxy-N-[(3S,3aS,8S,9S,9aS,9bS)-3,5a,9-trimethyl-2-oxododecahydronaphtho[1,2-b]furan-8-yl]acetamide NA 2.5961 NA 0.6557 NA 0.5329 NA 0.2464 NA 0.1423 NA 1.1914 NA 1.6603 NA 0.9749
2-Methylbenzoic acid 1.4537 NA 1.7520 NA 0.9285 NA 0.1604 NA 0.1483 NA 0.1066 NA 1.4380 NA 2.0124 NA
2-Methylbutyl beta-D-glucopyranoside 0.0988 NA 0.0990 NA 1.9447 NA 2.1698 NA 1.9044 NA 0.7419 NA 0.1039 NA 0.9374 NA
2-Methylidene-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutanoic acid 0.2376 NA 1.1607 NA 2.4888 NA 0.6767 NA 0.8255 NA 0.7940 NA 0.7805 NA 1.0362 NA
2-NP-AMOZ 0.0408 NA 2.2276 NA 1.3696 NA 1.1017 NA 1.1069 NA 0.9446 NA 0.3049 NA 0.9039 NA
2"-O-Galloylisovitexin 1.4692 NA 1.0611 NA 0.7625 NA 0.4345 NA 0.4602 NA 0.2497 NA 2.4059 NA 1.1569 NA
2^-O-Methyluridine 4.8912 NA 0.1434 NA 0.1277 NA 0.0422 NA 0.0540 NA 0.3217 NA 1.0294 NA 1.3904 NA
2-Oxindole NA 1.2293 NA 0.7242 NA 0.1179 NA 0.0618 NA 0.0478 NA 0.0679 NA 5.0427 NA 0.7085
2-Palmitoylglycerol NA 0.1448 NA 1.7017 NA 4.3904 NA 0.1968 NA 0.1155 NA 0.1588 NA 0.1041 NA 1.1880
(2R,3R)-2-(2,6-dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one 6.8393 NA 0.1111 NA 0.0798 NA 0.0614 NA 0.0703 NA 0.0932 NA 0.1524 NA 0.5925 NA
(2R,3R)-3,5-dihydroxy-2-(4-hydroxyphenyl)-7-methoxy-2,3-dihydrochromen-4-one 6.9063 NA 0.0080 NA 0.0272 NA 0.0051 NA 0.0061 NA 0.0063 NA 0.0246 NA 1.0164 NA
(2R,3R)-3,5-dihydroxy-2-(4-hydroxyphenyl)-7-methoxy-3,4-dihydro-2H-1-benzopyran-4-one NA 6.6089 NA 0.0117 NA 0.0318 NA 0.0141 NA 0.0175 NA 0.0174 NA 0.0215 NA 1.2771
(2R,3R,4S,5S,6R)-2-{[(2E,6R)-6-hydroxy-2,6-dimethylocta-2,7-dien-1-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol NA 0.4897 NA 1.3594 NA 1.3466 NA 0.5149 NA 0.6966 NA 0.8281 NA 1.7726 NA 0.9920
(2R,3R,4S,5S,6R)-2-{[4-(4-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl)butan-2-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol NA 0.1859 NA 3.8469 NA 1.2379 NA 0.5798 NA 0.2426 NA 0.7623 NA 0.1562 NA 0.9884
(2S,3R,4S,5S,6R)-2-[4-hydroxy-2-methyl-5-(propan-2-yl)phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol NA 0.1648 NA 2.4665 NA 0.5798 NA 0.0809 NA 0.0842 NA 0.1138 NA 3.6827 NA 0.8273
2-(tert-butyl)-1,3-thiazolane-4-carboxylic acid NA 0.2423 NA 0.0823 NA 0.1012 NA 0.9646 NA 4.2210 NA 1.3539 NA 0.0993 NA 0.9354
3,14-dihydro-15-keto-tetranor Prostaglandin E2 NA 0.2677 NA 0.6186 NA 0.2507 NA 0.7543 NA 0.1446 NA 3.8884 NA 1.2699 NA 0.8059
3-{2-[(1R,4aS,5R,6R,8aS)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-decahydronaphthalen-1-yl]-1-hydroxyethyl}-2,5-dihydrofuran-2-one NA 0.1722 NA 0.0502 NA 0.4129 NA 0.9217 NA 2.5619 NA 2.8250 NA 0.0703 NA 0.9858
3-{2-[(1R,4aS,5R,8aS)-5,8a-dimethyl-2-methylidene-5-({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-decahydronaphthalen-1-yl]ethyl}-2,5-dihydrofuran-2-one NA 2.4495 NA 0.8064 NA 0.8706 NA 0.4354 NA 0.6683 NA 0.7857 NA 0.9237 NA 1.0604
3-{2-[(1R,4aS,5R,8aS)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-decahydronaphthalen-1-yl]ethyl}-2,5-dihydrofuran-2-one NA 3.5321 NA 0.1103 NA 0.3457 NA 0.3519 NA 0.6271 NA 1.5818 NA 0.3265 NA 1.1247
3-[(2-chloro-1,3-thiazol-5-yl)methyl]-5-methyl-1,3,5-oxadiazinan-4-ylideneamin NA 0.0827 NA 2.3093 NA 2.4737 NA 0.7196 NA 0.4100 NA 0.2768 NA 0.9588 NA 0.7691
3-{[(2R,3S,4S,5R,6S)-6-{[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methoxy}-3-oxopropanoic acid NA 0.1463 NA 1.8609 NA 2.5483 NA 0.7801 NA 0.6666 NA 0.7361 NA 0.1897 NA 1.0720
3-[3-(beta-D-Glucopyranosyloxy)-2-hydroxyphenyl]propanoic acid 0.9441 NA 1.1030 NA 0.9078 NA 0.8406 NA 0.6818 NA 0.6954 NA 1.7662 NA 1.0611 NA
3,3-Dimethyl-5-oxo-5-[4-(2-pyrimidinyl)piperazino]pentanoic acid 0.5940 NA 1.0053 NA 1.2383 NA 1.4425 NA 1.1310 NA 1.2792 NA 0.2784 NA 1.0314 NA
3,4,2^,3^,4^,6^,alpha-Heptahydroxychalcone 2^-glucoside 0.5568 NA 0.6225 NA 3.7766 NA 0.3690 NA 0.5761 NA 0.4817 NA 0.1650 NA 1.4522 NA
3,4,2^-Trihydroxy-6",6"-dimethylpyrano [ 2",3":4^,3^ ] chalcone 0.0689 0.3637 0.1553 0.3287 1.5177 4.7221 2.6811 0.7356 1.2975 0.2556 1.4354 0.4234 0.1717 0.3712 0.6263 0.8458
3,4,4^,alpha-Tetrahydroxy-2^-methoxydihydrochalcone NA 0.1657 NA 0.0937 NA 0.9151 NA 1.7997 NA 2.6245 NA 1.5313 NA 0.1210 NA 0.7489
3,4,5,2^,4^,6^-Hexahydroxychalcone 2^-glucoside 4.0286 0.7603 1.3082 0.3329 2.9629 0.6568 0.5421 0.0978 0.5051 0.0891 0.5065 0.0952 1.3902 0.2955 2.0200 0.4089
[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] 3-hydroxy-4,5-dimethoxybenzoate 2.9457 NA 0.7655 NA 0.3386 NA 0.3908 NA 0.3001 NA 0.1558 NA 1.9373 NA 1.1663 NA
3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid 0.4183 NA 1.8091 NA 1.4241 NA 0.7919 NA 0.7051 NA 0.4424 NA 1.5400 NA 0.8691 NA
3,4,7-Trihydroxy-5-methoxy-8-prenylflavan 4-O- (beta-D-xylopyranosyl- (1->6) -beta-D-glucopyranoside) 0.8314 NA 0.3574 NA 0.0722 NA 0.0766 NA 0.0620 NA 0.0666 NA 5.9324 NA 0.6015 NA
3,4-Dihydroxy-L-phenylalanine 3.0403 NA 0.2634 NA 0.7758 NA 0.5987 NA 0.7268 NA 1.0491 NA 0.1855 NA 1.3604 NA
3,4-EDMA NA 3.2314 NA 0.7375 NA 0.1238 NA 0.0962 NA 0.1602 NA 0.2258 NA 2.3423 NA 1.0829
3^,4^-Methylenedioxy-2,4,6,beta-tetramethoxychalcone NA 0.6596 NA 0.9288 NA 1.4817 NA 1.6014 NA 1.1558 NA 1.1372 NA 0.2114 NA 0.8241
3,4-Methylenedioxy--pyrrolidinopropiophenone NA 2.5078 NA 2.0897 NA 0.2280 NA 0.0653 NA 0.0178 NA 0.0196 NA 1.9921 NA 1.0797
3,5,7-trihydroxy-2-(3-hydroxy-4-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-4H-chromen-4-one NA 0.2293 NA 1.4533 NA 1.6618 NA 0.9300 NA 1.0294 NA 1.5918 NA 0.1449 NA 0.9594
3^,5,7-Trihydroxy-4^-methoxyflavanone 0.3982 1.4777 0.2002 0.3840 0.6347 1.8516 1.2408 1.1998 1.0720 1.2977 2.0299 1.8488 0.2894 0.4166 0.3784 1.2803
3,5-Dimethoxy-4-hydroxybenzaldehyde 2.1151 0.4143 0.3689 1.8963 0.1892 1.4120 0.3881 0.6771 0.4098 1.1409 0.7470 1.3325 1.6429 1.6379 0.8800 0.7481
3-[6-({6-O-[(2R,3R,4R)-3,4-Dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-beta-D-glucopyranosyl}oxy)-1-benzofuran-5-yl]propanoic acid 1.2285 NA 1.1695 NA 0.4023 NA 0.5960 NA 0.7248 NA 0.7207 NA 2.1391 NA 1.0192 NA
3,6,9,12-Tetraoxatetracosan-1-ol NA 0.4488 NA 0.9989 NA 2.0625 NA 0.6449 NA 1.0718 NA 0.8235 NA 1.0023 NA 0.9473
3^-Adenosine monophosphate (3^-AMP) 2.1962 NA 0.3622 NA 0.3637 NA 0.1446 NA 0.1745 NA 2.3160 NA 1.4214 NA 1.0214 NA
3-Butene-1,2,3-tricarboxylic acid 0.9932 NA 0.6618 NA 1.0143 NA 0.8432 NA 1.1556 NA 1.8482 NA 0.3774 NA 1.1062 NA
3^-C-Glucosylisoliquiritigenin 0.5662 NA 2.8452 NA 1.9107 NA 1.0632 NA 0.8561 NA 0.1291 NA 0.0682 NA 0.5612 NA
3^-Dephosphocoenzyme A 0.3527 NA 0.1950 NA 1.9933 NA 2.3082 NA 1.8652 NA 0.4117 NA 0.1373 NA 0.7365 NA
3-Geranyl-4,2^,4^,6^-tetrahydroxy-5-prenyldihydrochalcone 3.1820 NA 0.1122 NA 0.0779 NA 0.0796 NA 0.0873 NA 1.8990 NA 1.6837 NA 0.8782 NA
3-Hydroxy-3-(methoxycarbonyl)pentanedioic acid 3.1138 NA 0.4577 NA 0.4105 NA 0.3226 NA 0.4873 NA 1.1091 NA 1.1190 NA 0.9801 NA
3-Hydroxy-3-methylglutaric acid 0.3706 NA 0.9906 NA 1.5235 NA 0.6708 NA 1.0955 NA 1.2280 NA 0.8850 NA 1.2360 NA
3-Hydroxybutyric acid 0.3293 NA 1.0424 NA 1.6153 NA 1.1982 NA 1.4478 NA 1.2247 NA 0.2872 NA 0.8549 NA
3-Isopropylmalic acid 3.9280 NA 0.5449 NA 0.4125 NA 0.2928 NA 0.2852 NA 0.3865 NA 1.0393 NA 1.1109 NA
3-Methoxy prostaglandin F1 NA 0.1496 NA 1.9034 NA 3.1587 NA 1.2422 NA 0.2182 NA 0.2076 NA 0.1704 NA 0.9499
3-methyl-2-oxovaleric acid 0.8158 NA 1.5930 NA 1.9541 NA 1.0306 NA 0.6604 NA 0.4901 NA 0.2270 NA 1.2289 NA
(3R,4S)-4-[2-(Cyclopropylamino)-2-oxoethyl]-3-ethyl-N-[3-(trifluoromethyl)phenyl]-1-piperidinecarboxamide NA 4.5097 NA 0.2624 NA 0.1743 NA 0.1457 NA 0.1836 NA 1.7079 NA 0.2912 NA 0.7251
(3S)-3-Methyl-5-[(1S,8aR)-2,5,5,8a-tetramethyl-4-oxo-1,4,4a,5,6,7,8,8a-octahydro-1-naphthalenyl]pentanoic acid NA 5.1137 NA 0.6171 NA 0.0755 NA 0.0703 NA 0.0272 NA 0.0501 NA 0.9001 NA 1.1460
4,2^-Dihydroxy-4^,6^-dimethoxychalcone 4-glucoside 0.0155 NA 3.1155 NA 1.4312 NA 0.8814 NA 1.2820 NA 0.6530 NA 0.0805 NA 0.5409 NA
4-(3-Hydroxybutyl)phenyl -D-glucopyranoside 0.0994 NA 2.3169 NA 0.5994 NA 0.0357 NA 0.0404 NA 0.0526 NA 4.0860 NA 0.7696 NA
4-[4-(4-Hydroxy-3-methoxyphenyl)tetrahydro-1H,3H-furo[3,4-c]furan-1-yl]-2-methoxyphenyl hexopyranoside 1.3125 NA 0.9035 NA 1.4881 NA 1.1332 NA 0.8007 NA 0.7354 NA 0.7041 NA 0.9226 NA
4-{5-[(3S)-1-(3,4-Difluorobenzyl)-3-pyrrolidinyl]-1,3,4-oxadiazol-2-yl}-N,N-dimethylaniline NA 3.2395 NA 0.2978 NA 0.3661 NA 0.6789 NA 0.6373 NA 0.7852 NA 0.3962 NA 1.5990
4-(5,7-Dihydroxy-4-oxo-4H-chromen-2-yl)-2-(-D-glucopyranosyloxy)phenyl -D-glucopyranoside NA 4.8755 NA 0.1225 NA 0.0999 NA 0.5931 NA 0.6937 NA 0.4033 NA 0.4506 NA 0.7614
4-Acetamidobutanoic acid NA 2.3257 NA 0.8910 NA 0.9433 NA 0.5883 NA 0.6120 NA 0.5371 NA 1.0409 NA 1.0616
4-AMINOBUTANOATE NA 1.7136 NA 0.4310 NA 0.6103 NA 0.5674 NA 0.4779 NA 1.9495 NA 1.2698 NA 0.9806
4-chloro-5-morpholino-2-quinoxalin-2-ylpyridazin-3(2H)-one NA 0.0788 NA 0.4327 NA 0.9113 NA 1.8468 NA 2.1002 NA 1.4095 NA 0.4521 NA 0.7686
4-Coumaric acid NA 0.6035 NA 1.8650 NA 1.9698 NA 0.4454 NA 0.8053 NA 1.0904 NA 0.2376 NA 0.9830
4-Cyano-N-[(1R,9S)-11-(4-fluorobenzoyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-3-yl]benzamide NA 0.4702 NA 1.3268 NA 1.1548 NA 1.2641 NA 1.0966 NA 1.0024 NA 1.1474 NA 0.5377
4-Fluoro-N-{7-hydroxy-8-(hydroxymethyl)-4a,8-dimethyl-4-[2-(4-methyl-1-piperidinyl)-2-oxoethyl]-4,4a,5,6,7,8,8a,9-octahydronaphtho[2,3-d][1,3]thiazol-2-yl}benzamide 2.1575 NA 0.4271 NA 0.2998 NA 0.7667 NA 1.0047 NA 0.0292 NA 2.3105 NA 1.0046 NA
4-Hydroxybenzaldehyde NA 3.2575 NA 0.2700 NA 0.6654 NA 0.4199 NA 0.7416 NA 1.2139 NA 0.2712 NA 1.1605
4-Hydroxycoumarin NA 1.7804 NA 0.1474 NA 0.1385 NA 0.1625 NA 0.1504 NA 2.0604 NA 2.6028 NA 0.9575
4-Hydroxyindole NA 2.0484 NA 1.6685 NA 0.3730 NA 0.1261 NA 0.1937 NA 0.1617 NA 2.6795 NA 0.7492
4^-Methoxyacetophenone NA 1.3011 NA 0.3548 NA 0.5576 NA 1.1093 NA 1.3362 NA 1.9131 NA 0.5457 NA 0.8822
4-Methoxybenzaldehyde NA 0.0029 NA 0.1739 NA 1.7061 NA 1.4916 NA 1.4495 NA 1.9704 NA 0.0121 NA 1.1934
4-Methoxycinnamic acid NA 0.1387 NA 1.2487 NA 0.9909 NA 2.0743 NA 1.6242 NA 0.4539 NA 0.4326 NA 1.0367
4-Methoxyphlorizin 0.2688 NA 1.8119 NA 0.2433 NA 0.1589 NA 0.1554 NA 0.1525 NA 4.6666 NA 0.5426 NA
4-Methoxy PV8 NA 0.0107 NA 0.0262 NA 0.9420 NA 1.7165 NA 2.0828 NA 2.1228 NA 0.0206 NA 1.0784
4-methyl-2-oxopentanoic acid 3.3883 NA 0.2411 NA 0.5970 NA 0.2659 NA 0.1380 NA 0.4874 NA 1.7332 NA 1.1491 NA
4-Methyl PV8 NA 0.0233 NA 0.0901 NA 1.6863 NA 1.5817 NA 1.5668 NA 1.9287 NA 0.0313 NA 1.0919
4-Methylumbelliferyl--D-glucopyranoside NA 0.3286 NA 0.0522 NA 0.2120 NA 2.2069 NA 2.2899 NA 1.5995 NA 0.1101 NA 1.2008
4-OHE2-1-N3Ade NA 0.2864 NA 1.1155 NA 0.2144 NA 0.1663 NA 0.1815 NA 0.1802 NA 5.4176 NA 0.4381
4-Oxoproline 1.6276 NA 0.7667 NA 1.3465 NA 0.7965 NA 0.8413 NA 0.7354 NA 0.9182 NA 0.9678 NA
4-Pyridineacetic acid NA 0.4953 NA 1.7134 NA 0.6058 NA 0.4760 NA 0.5171 NA 0.8391 NA 2.5632 NA 0.7901
4-Pyridoxic acid 1.8891 NA 0.3588 NA 0.4633 NA 0.7769 NA 0.4814 NA 0.4638 NA 2.6561 NA 0.9106 NA
4-(trifluoromethyl)nicotinic acid 2.0221 10.9750 0.0064 0.0108 0.0078 0.0101 0.0072 0.0119 0.0086 0.0142 0.0081 0.0196 0.0062 0.0182 0.4227 2.4510
5-[(1S,2R,4aR)-5-(Hydroxymethyl)-1,2,4a-trimethyl-1,2,3,4,4a,7,8,8a-octahydro-1-naphthalenyl]-3-methylpentanoic acid 0.4868 NA 1.3788 NA 3.0268 NA 1.2299 NA 0.3747 NA 0.2448 NA 0.3509 NA 0.9073 NA
5,2^-Dihydroxy-7,8,6^-trimethoxyflavone 2^-glucuronide 0.1121 NA 2.2039 NA 2.4009 NA 0.7625 NA 0.6536 NA 0.6414 NA 0.3044 NA 0.9213 NA
5-[(2R,5S,10R,11S,14S,15R)-5-{[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}-11-hydroxy-2,15-dimethyltetracyclo[8.7.0.0?,.0aa,a]heptadec-6-en-14-yl]-2H-pyran-2-one NA 0.2973 NA 0.2669 NA 1.2649 NA 1.4712 NA 1.1635 NA 2.3423 NA 0.2935 NA 0.9003
5,3^,4^,5^-Tetrahydroxy-6,7-dimethoxyflavone 2.7267 NA 0.6706 NA 1.8388 NA 0.3253 NA 0.2559 NA 0.2304 NA 0.7929 NA 1.1594 NA
5-[(3Z)-5-Hydroxy-3-methyl-3-penten-1-yl]-1,4a-dimethyl-6-methylenedecahydro-1-naphthalenecarboxylic acid 0.1377 NA 4.7393 NA 0.1817 NA 0.0629 NA 0.0419 NA 0.0521 NA 1.8374 NA 0.9469 NA
5-(4-Carboxy-3-methylbutyl)-1,4a-dimethyl-6-methylenedecahydro-1-naphthalenecarboxylic acid 3.8744 NA 0.1479 NA 0.0934 NA 0.0251 NA 0.0303 NA 0.1556 NA 2.7663 NA 0.9070 NA
5,5-Dimethylhydantoin 0.8035 NA 0.6411 NA 1.4025 NA 1.2229 NA 1.4874 NA 0.7305 NA 0.8366 NA 0.8754 NA
5-[5-hydroxy-3-(hydroxymethyl)pentyl]-8a-(hydroxymethyl)-5,6-dimethyl-3,4,4a,5,6,7,8,8a-octahydronaphthalene-1-carboxylic acid NA 2.2852 NA 0.1549 NA 0.2042 NA 2.5050 NA 0.0931 NA 0.3937 NA 0.9146 NA 1.4493
5,7,2^,5^-Tetrahydroxy-6-methoxyflavanone 6.9388 NA 0.0462 NA 0.0455 NA 0.0412 NA 0.0422 NA 0.0378 NA 0.0616 NA 0.7869 NA
5,7,2^-Trihydroxyflavone 7-glucuronide 4.0638 NA 0.9801 NA 0.4783 NA 0.2269 NA 0.4730 NA 0.5375 NA 0.4516 NA 0.7889 NA
5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-4-one NA 1.5032 NA 2.0371 NA 1.9468 NA 0.3547 NA 0.2912 NA 0.3730 NA 0.3288 NA 1.1652
5,7-dihydroxy-2-(4-hydroxyphenyl)-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-4H-chromen-4-one NA 3.2537 NA 0.9268 NA 0.2362 NA 0.0809 NA 0.0656 NA 0.5368 NA 1.4300 NA 1.4699
5,7-dihydroxy-2-(4-hydroxyphenyl)-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-8-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]-4H-chromen-4-one NA 0.5809 NA 1.3007 NA 2.4882 NA 0.4919 NA 0.5948 NA 0.7782 NA 0.8120 NA 0.9532
5,7-Dihydroxy-2-(4-hydroxyphenyl)-6,8-bis[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]-4H-chromen-4-one 1.4054 1.1384 0.9913 1.2531 1.4919 1.5676 0.6336 0.4581 0.7519 0.5058 0.9407 0.6434 1.1429 1.0213 1.1204 0.9340
5,7-Dihydroxy-6-C-methylflavone 7-xylosyl- (1->3) -xyloside 0.6623 NA 3.4624 NA 0.4606 NA 1.4218 NA 0.5977 NA 0.3180 NA 0.3755 NA 0.7016 NA
5,8-dihydroxy-2-(4-hydroxyphenyl)-7-methoxy-3-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}-4H-chromen-4-one NA 0.1009 NA 2.5205 NA 2.5471 NA 0.6641 NA 0.4814 NA 0.3553 NA 0.3154 NA 1.0153
5,8-dihydroxy-2-(4-hydroxyphenyl)-7-methoxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one 0.0902 NA 2.2663 NA 2.8028 NA 0.7442 NA 0.5118 NA 0.3002 NA 0.3146 NA 0.9700 NA
5-Aminovaleric acid 2.3075 NA 0.6193 NA 0.6465 NA 0.7480 NA 0.8170 NA 0.7706 NA 1.0296 NA 1.0615 NA
5-Dihydrotestosterone NA 0.0277 NA 1.1391 NA 2.5648 NA 1.4756 NA 0.9434 NA 0.5953 NA 0.0385 NA 1.2156
5-Fluoro-3,5-AB-PFUPPYCA NA 0.6055 NA 0.6313 NA 2.1679 NA 0.2067 NA 0.8942 NA 0.1176 NA 2.3798 NA 0.9969
5-Hydroxy-6",6"-dimethylpyrano [ 2",3":7,8 ] flavone 7.8205 1.1336 0.0593 0.0165 0.0576 0.0146 0.0987 0.0451 0.2806 0.0830 2.8025 0.6761 0.4255 0.0977 1.9891 0.3995
5-Hydroxy-6,7,3^,4^,5^-pentamethoxyflavanone 5-O-rhamnoside 0.3175 NA 0.1051 NA 0.1047 NA 0.0992 NA 0.1220 NA 6.2316 NA 0.1307 NA 0.8891 NA
5-Hydroxy-7,4^-dimethoxy-6,8-di-C-prenylflavanone 5-O-galactoside 6.1628 NA 0.1778 NA 0.1646 NA 0.1611 NA 0.1805 NA 0.1929 NA 0.1737 NA 0.7867 NA
5-Hydroxytryptophan 3.8767 NA 0.2865 NA 0.9512 NA 0.3631 NA 0.3765 NA 0.2059 NA 0.7627 NA 1.1774 NA
5-O-Methyleriodictyol 7-glucosyl- (1->4) -galactoside 0.8498 NA 2.5317 NA 1.4207 NA 0.1681 NA 0.2031 NA 0.2438 NA 1.6994 NA 0.8835 NA
5^-S-Methyl-5^-thioadenosine NA 0.5712 NA 1.5434 NA 0.9195 NA 1.0827 NA 0.4392 NA 0.3312 NA 2.3010 NA 0.8117
6,7,3^,4^-Tetrahydroxyaurone 6- (4",6"-diacetylglucoside) 5.1617 NA 0.3432 NA 0.1904 NA 0.2013 NA 0.1623 NA 0.1741 NA 0.1239 NA 1.6431 NA
6,8-Dihydroxy-7,4^-dimethoxyflavone 6-rutinoside 0.0847 NA 5.4680 NA 0.3728 NA 0.0746 NA 0.0770 NA 0.0790 NA 0.6641 NA 1.1798 NA
6-beta-Hydrocortisol 1.8562 NA 0.0602 NA 0.0691 NA 0.0354 NA 0.0380 NA 0.1672 NA 4.9019 NA 0.8718 NA
(6E)-4,5,8-Trihydroxy-10-(2-hydroxypentyl)-3,3-dimethyl-3,4,5,8,9,10-hexahydro-2H-oxecin-2-one NA 2.8053 NA 0.4587 NA 1.1128 NA 0.7200 NA 0.4467 NA 0.4431 NA 0.9778 NA 1.0356
6-Gingerol NA 5.1298 NA 0.1471 NA 0.1608 NA 0.1183 NA 0.1141 NA 0.8649 NA 0.3758 NA 1.0890
6-Hydrocodol N-oxide NA 0.5624 NA 0.8753 NA 3.8800 NA 0.6475 NA 0.2698 NA 0.8299 NA 0.3629 NA 0.5720
6-Hydroxyluteolin 3^-methyl ether 7- [ 6"- (3-hydroxy-3-methylglutaryl) glucoside ] 1.5156 NA 1.3847 NA 1.1494 NA 0.7214 NA 0.4615 NA 0.3597 NA 1.4549 NA 0.9528 NA
6-Hydroxyluteolin 7-sophoroside 0.1473 NA 4.4120 NA 0.0609 NA 0.0542 NA 0.0613 NA 0.0682 NA 2.4912 NA 0.7049 NA
6-Hydroxyluteolin 7-sulfate 0.4646 NA 0.2223 NA 2.1912 NA 2.2754 NA 1.1287 NA 0.9694 NA 0.2210 NA 0.5274 NA
6-Hydroxymyricetin 3,6,3^,5^-tetramethyl ether 7-glucoside 3.4161 NA 0.7866 NA 0.2069 NA 0.1032 NA 0.0931 NA 0.2262 NA 2.0749 NA 1.0929 NA
6-Methoxyquinoline NA 5.9740 NA 0.0738 NA 0.1033 NA 0.0650 NA 0.0662 NA 0.0875 NA 0.0641 NA 1.5660
6-Methylquinoline NA 6.0867 NA 0.0461 NA 0.0187 NA 0.0573 NA 0.1784 NA 0.0589 NA 0.1256 NA 1.4284
6-O-[(2E)-3-(4-Hydroxyphenyl)-2-propenoyl]-1-O-(3,4,5-trihydroxybenzoyl)hexopyranose 2.1862 NA 1.7445 NA 1.5964 NA 0.3602 NA 0.2435 NA 0.3760 NA 0.5389 NA 0.9543 NA
6-Oxycodol N-oxide NA 0.4731 NA 1.1689 NA 2.9019 NA 0.4979 NA 0.3583 NA 0.4334 NA 1.3090 NA 0.8576
6-Prostaglandin I1 4.4700 NA 0.5277 NA 0.0859 NA 0.1818 NA 0.0539 NA 0.1554 NA 1.3764 NA 1.1489 NA
7-{[(2S,3R,4S,5S,6R)-6-({[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-5-hydroxy-3-(4-hydroxyphenyl)-6-methoxy-4H-chromen-4-one NA 3.0423 NA 0.8964 NA 0.2611 NA 0.0705 NA 0.0674 NA 0.8593 NA 1.7537 NA 1.0493
7,7-dimethyl-3-spiro(4,4,-dimethyl-2,6-dioxocyclohexyl)-1,2,3,4,5,6,7,8-octahydro-5-quinolinone 0.0236 NA 0.1566 NA 1.9940 NA 1.4351 NA 1.4366 NA 1.8729 NA 0.0192 NA 1.0620 NA
7-Hydroxy-2-(4-hydroxyphenyl)-4-oxo-3,4-dihydro-2H-chromen-5-yl -D-glucopyranoside 0.6700 NA 3.2231 NA 2.2238 NA 0.1287 NA 0.1869 NA 0.2139 NA 0.2526 NA 1.1010 NA
7-hydroxy-2-(4-hydroxyphenyl)-5-methoxy-3,4-dihydro-2H-1-benzopyran-4-one NA 6.5931 NA 0.0173 NA 0.0520 NA 0.0100 NA 0.0119 NA 0.0124 NA 0.0258 NA 1.2775
7-Hydroxycoumarine NA 1.2466 NA 2.2115 NA 1.0324 NA 0.4961 NA 0.4219 NA 0.3804 NA 1.0912 NA 1.1198
7-Methylguanosine NA 2.9050 NA 0.3609 NA 0.6317 NA 0.6237 NA 0.4959 NA 0.4045 NA 1.6410 NA 0.9373
7- [ [ O-D-apio-beta-D-furanosyl- (1->2) -O- [ beta-D-glucopyranosyl- (1->4) ] -6-O- (carboxyacetyl) -beta-D-glucopyranosyl ] oxy ] -2- (3,4-dihydroxyphenyl) -5-hydroxy-4H-1-benzopyran-4-one 0.6026 0.2766 3.9470 1.7742 3.1123 1.5598 0.2940 0.1374 0.2718 0.1190 0.2847 0.2460 0.9951 0.4054 1.3059 0.6682
7-O-Methyllicoricidin 0.1244 NA 0.1307 NA 0.1200 NA 0.1121 NA 0.1155 NA 6.5964 NA 0.1221 NA 0.6788 NA
8- (3"-Hydroxy-3"-methylbutyl) kaempferol 4^-methyl ether 7-glucoside NA 1.4978 NA 1.0065 NA 0.8606 NA 0.4387 NA 0.6044 NA 0.5179 NA 2.1425 NA 0.9315
8-{3-Oxo-2-[(2E)-2-penten-1-yl]-1-cyclopenten-1-yl}octanoic acid NA 4.5764 NA 0.1557 NA 0.1179 NA 0.0301 NA 0.0127 NA 0.5025 NA 1.6461 NA 0.9585
8-Hydroxyluteolin 4^-methyl ether 7- (6"^-acetylallosyl) (1->2) (6"-acetylglucoside) 2.1905 1.5645 2.1626 1.8680 1.4032 1.0938 0.6399 0.4352 0.2650 0.1850 0.4835 0.2650 0.7799 0.4265 1.2299 1.0074
8-Iso-15-keto-prostaglandin-F2 4.6219 NA 0.2961 NA 0.4746 NA 0.1837 NA 0.1801 NA 1.0832 NA 0.3464 NA 0.8139 NA
9-(2,3-dihydroxypropoxy)-9-oxononanoic acid 1.1685 NA 0.5789 NA 0.3438 NA 0.1781 NA 0.1896 NA 0.8795 NA 4.2640 NA 0.3976 NA
(9cis)-Retinal NA 1.1739 NA 1.2400 NA 1.1537 NA 0.8032 NA 0.7405 NA 0.7092 NA 1.0166 NA 1.1628
9-HOTrE 5.2322 NA 0.0883 NA 0.1906 NA 0.0928 NA 0.0862 NA 0.3741 NA 0.8171 NA 1.1185 NA
(+/-)9-HpODE 3.4127 NA 0.1571 NA 0.0697 NA 0.0264 NA 0.0150 NA 0.1933 NA 3.2977 NA 0.8282 NA
9-hydroxy-2,10,10-trimethyltricyclo[6.3.0.0a,]undec-6-ene-6-carboxylic acid NA 0.2161 NA 0.6301 NA 0.4862 NA 1.4599 NA 2.7479 NA 1.0187 NA 0.5398 NA 0.9014
9-Oxo-10(E),12(E)-octadecadienoic acid NA 4.4461 NA 0.1446 NA 0.0713 NA 0.0711 NA 0.0444 NA 1.0385 NA 1.0895 NA 1.0945
9-Oxo-ODE NA 3.7346 NA 0.5856 NA 0.2812 NA 0.1455 NA 0.1585 NA 0.6272 NA 1.8447 NA 0.6228
9S,13R-12-Oxophytodienoic acid NA 4.5771 NA 0.0932 NA 0.1140 NA 0.0520 NA 0.0701 NA 1.2589 NA 0.7296 NA 1.1050
9(Z),11(E),13(E)-Octadecatrienoic Acid methyl ester NA 6.1477 NA 0.0280 NA 0.0239 NA 0.0781 NA 0.0152 NA 0.0228 NA 0.3177 NA 1.3665
Abietic acid NA 0.4165 NA 2.6372 NA 1.0141 NA 0.5110 NA 0.4623 NA 0.4225 NA 1.5348 NA 1.0016
AB-PINACA carboxylic acid metabolite 0.0740 NA 2.8575 NA 0.0283 NA 0.0253 NA 0.0325 NA 0.0419 NA 4.5340 NA 0.4064 NA
(+/-)-Abscisic acid 0.3721 NA 0.5655 NA 0.6171 NA 0.4592 NA 2.7853 NA 1.8899 NA 0.3207 NA 0.9901 NA
Acamprosate 0.4080 NA 1.0021 NA 0.8146 NA 0.8071 NA 1.0002 NA 1.0678 NA 1.9427 NA 0.9575 NA
Acetophenone NA 3.5482 NA 1.0220 NA 0.4599 NA 0.5017 NA 0.3874 NA 0.2081 NA 0.6383 NA 1.2343
Acetylarginine NA 3.5966 NA 0.2626 NA 0.1515 NA 0.5478 NA 1.0292 NA 0.7538 NA 0.4393 NA 1.2192
Acetylvanillin p NA 0.8977 NA 0.6130 NA 1.3916 NA 0.9262 NA 1.3242 NA 1.1132 NA 0.8668 NA 0.8673
Aconitic Acid 0.5274 NA 0.5008 NA 0.9161 NA 1.1953 NA 1.2339 NA 1.9054 NA 0.5062 NA 1.2150 NA
Acuminatoside 0.2384 NA 6.3026 NA 0.0693 NA 0.0425 NA 0.0425 NA 0.0417 NA 0.4117 NA 0.8513 NA
Adenine 1.7020 6.4652 0.1064 0.0424 0.1064 0.0196 0.0356 0.0154 0.0625 0.0164 0.6450 0.7967 0.5800 3.0000 0.5358 1.8706
Adenosine 0.1184 6.0232 0.0069 0.5241 0.0071 0.5239 0.0017 0.1691 0.0031 0.3140 0.0516 3.0555 0.0422 2.9202 0.0398 2.1991
ADENOSINE 2^,3^-CYCLIC PHOSPHATE 1.9685 NA 0.0673 NA 0.0570 NA 0.1268 NA 0.1680 NA 2.8712 NA 1.7683 NA 0.9729 NA
Adenosine 3^5^-cyclic monophosphate NA 1.0269 NA 0.0240 NA 0.0154 NA 0.0109 NA 0.0119 NA 5.0059 NA 0.8354 NA 1.0697
Adenosine 5^-monophosphate NA 0.0487 NA 1.7742 NA 1.7237 NA 1.2991 NA 1.4425 NA 0.4871 NA 0.4674 NA 0.7574
Adunctin E 0.0361 0.2423 0.0234 0.1691 0.0295 2.0001 0.0263 3.6534 0.0272 3.8912 0.9625 2.5803 0.0296 0.1877 0.0870 2.0543
Afzelin 1.2126 0.9118 5.4546 2.0899 1.2578 0.4727 0.3364 0.0716 0.1334 0.0820 0.1027 0.0896 1.3931 0.5613 1.3058 0.5247
Agmatine NA 1.1528 NA 1.6412 NA 0.4003 NA 0.1492 NA 0.1102 NA 0.0606 NA 3.4003 NA 1.0853
Ala-Ile 0.8731 6.1833 0.0188 0.0425 0.4152 0.5798 0.3163 0.2542 0.2914 0.0890 0.6037 2.5025 0.0950 0.4251 0.6253 2.6850
Ala-Leu NA 1.0830 NA 0.0761 NA 0.4932 NA 0.6814 NA 1.4848 NA 2.7520 NA 0.2084 NA 1.2210
Alanyltyrosine 2.3071 7.8458 0.0101 0.0287 0.0116 0.0391 0.0069 0.0289 0.0191 0.0672 0.6128 2.0108 0.0800 0.1953 0.6390 2.0976
Ala-Phe 2.1755 8.2527 0.0039 0.0157 0.0071 0.0243 0.0038 0.0177 0.0111 0.0327 0.4095 1.6824 0.0890 0.2821 0.6186 2.3737
Ala-Val NA 4.2970 NA 0.0160 NA 0.0184 NA 0.0142 NA 0.0351 NA 1.9165 NA 0.3921 NA 1.3108
Aldicarb-sulfoxide 3.8221 4.3145 0.0056 0.0163 0.0060 0.0096 0.0053 0.0093 0.0067 0.0859 0.8513 4.3819 0.0230 0.0444 0.8116 1.6067
Aliarin NA 5.0811 NA 0.1106 NA 0.2388 NA 0.2467 NA 0.1567 NA 0.1847 NA 0.7287 NA 1.2527
Aliarin 4^-methyl ether 0.3382 NA 0.6656 NA 1.1655 NA 1.0145 NA 0.8796 NA 1.1916 NA 2.2080 NA 0.5370 NA
Alimemazine 3.2448 NA 0.0624 NA 0.0759 NA 0.0605 NA 0.0681 NA 1.6241 NA 0.3512 NA 2.5132 NA
ALK NA 5.7246 NA 0.0290 NA 0.0292 NA 0.0499 NA 0.1092 NA 0.5444 NA 0.3033 NA 1.2104
Alloxydim 0.2754 NA 0.3212 NA 2.2620 NA 1.4827 NA 0.9896 NA 1.5711 NA 0.1401 NA 0.9578 NA
All trans retinal NA 0.8169 NA 1.7763 NA 1.3936 NA 0.9828 NA 0.3822 NA 0.8276 NA 1.0652 NA 0.7555
Allyl 2-(1H-benzimidazol-2-yl)-2-cyano-N-phenylethanimidothioate NA 0.1879 NA 1.4825 NA 2.3988 NA 1.3874 NA 1.4274 NA 0.3992 NA 0.3964 NA 0.3204
alpha-D-Glucopyranosyl 2-O-(2-methylbutanoyl)-alpha-D-glucopyranoside 0.0534 NA 2.9093 NA 1.3977 NA 0.6777 NA 1.0210 NA 0.8304 NA 0.1456 NA 0.9648 NA
Alpha-Zearalanol 0.0203 0.0292 0.1611 0.4767 0.4637 1.2908 0.7457 2.0499 1.0803 2.9812 1.1568 3.3558 0.0230 0.0694 0.5287 1.5673
Aminobutyl benzamide NA 0.2627 NA 1.0376 NA 1.8809 NA 1.0052 NA 1.1537 NA 1.4407 NA 0.2419 NA 0.9774
Aminocarb NA 0.1404 NA 1.0867 NA 1.8090 NA 1.4010 NA 1.3818 NA 1.0811 NA 0.4330 NA 0.6671
Amoritin 2.6789 0.2790 0.5939 0.0623 0.1978 0.0258 0.0582 0.0256 0.1104 0.0272 0.0285 0.0323 9.6477 1.0412 1.0769 0.1145
Ampelopsin 3^-methyl ether 4^-rhamnoside 3.1162 0.3021 1.8565 0.2785 3.0149 0.4088 0.8201 0.1443 0.8076 0.0862 0.7704 0.0973 1.8507 0.2141 1.9765 0.2558
Anabasine NA 0.2379 NA 0.7617 NA 3.3051 NA 1.1716 NA 1.1864 NA 0.2658 NA 0.2046 NA 0.8669
Anastatin A 0.3063 NA 0.7343 NA 0.2273 NA 0.8385 NA 1.3225 NA 0.5950 NA 3.1524 NA 0.8236 NA
Ancymidol 0.2482 NA 0.7085 NA 0.5868 NA 0.2285 NA 4.9726 NA 0.2346 NA 0.2783 NA 0.7424 NA
Anguvetin 5.9420 NA 0.1629 NA 0.1634 NA 0.1551 NA 0.1607 NA 0.2101 NA 0.1619 NA 1.0439 NA
Anhydroicaritin 3-rhamnosyl- (1->2) -rhamnoside NA 0.0489 NA 2.5066 NA 2.1218 NA 0.5570 NA 0.2217 NA 0.0289 NA 0.3611 NA 2.1540
Anisotropine methylbromide NA 0.1099 NA 0.1112 NA 1.0015 NA 1.3343 NA 2.1118 NA 2.1140 NA 0.1708 NA 1.0464
Anisotropine Methylbromide NA 0.2308 NA 0.1695 NA 1.7103 NA 1.6301 NA 1.4693 NA 1.6807 NA 0.1197 NA 0.9896
Anthocyanidin base+3O, O-MalonylHex NA 0.1873 NA 1.5501 NA 3.7648 NA 0.5218 NA 0.4889 NA 0.3279 NA 0.2461 NA 0.9132
Anthranilic acid NA 1.5123 NA 0.8960 NA 0.1224 NA 0.2509 NA 0.2426 NA 0.1690 NA 4.1850 NA 0.6218
Antiarone A 0.6107 NA 0.3437 NA 0.8604 NA 1.6641 NA 1.7709 NA 1.2312 NA 0.7712 NA 0.7477 NA
Apigenin NA 6.8623 NA 0.0196 NA 0.0201 NA 0.0193 NA 0.0164 NA 0.0147 NA 0.0243 NA 1.0234
Apigenin 7- (2"-glucosyllactate) 0.0745 NA 0.9243 NA 1.5275 NA 1.7523 NA 1.9351 NA 0.6081 NA 0.3245 NA 0.8536 NA
Apigenin 7- (3"-acetyl-6"-E-p-coumaroylglucoside) NA 0.9043 NA 0.8329 NA 0.7818 NA 0.5511 NA 0.8334 NA 0.7872 NA 2.4727 NA 0.8366
Apigenin 7- (6"^-acetylallosyl- (1->2) glucoside) 1.0364 NA 1.4876 NA 1.0076 NA 0.6811 NA 0.4310 NA 0.3965 NA 2.1686 NA 0.7913 NA
Apigetrin NA 6.5209 NA 0.0429 NA 0.0373 NA 0.0345 NA 0.0373 NA 0.0373 NA 0.0815 NA 1.2084
Apiin 5.2258 NA 0.2214 NA 0.0238 NA 0.0078 NA 0.0091 NA 0.0665 NA 1.1904 NA 1.2552 NA
Apocynin NA 0.7049 NA 1.4174 NA 1.2725 NA 0.6625 NA 0.9193 NA 0.7203 NA 1.1545 NA 1.1485
Arecoline NA 0.1648 NA 1.3929 NA 0.1835 NA 0.1395 NA 0.1119 NA 0.0736 NA 5.3394 NA 0.5943
Ascorbic acid 0.4349 NA 0.5510 NA 0.8052 NA 0.8911 NA 1.2233 NA 2.9732 NA 0.2765 NA 0.8448 NA
ASCORBIC ACID 0.2972 NA 0.5664 NA 0.6961 NA 1.1988 NA 1.3124 NA 2.6650 NA 0.3920 NA 0.8721 NA
Asiatic acid 5.7502 NA 0.0530 NA 0.0859 NA 0.0798 NA 0.0802 NA 0.0911 NA 0.0420 NA 1.8178 NA
Aspalathin 0.1933 NA 0.0749 NA 1.1030 NA 1.6236 NA 2.1065 NA 1.7781 NA 0.0821 NA 1.0385 NA
Asparagine 0.4264 NA 0.2882 NA 0.8709 NA 1.5330 NA 1.8627 NA 1.8856 NA 0.2551 NA 0.8780 NA
Aspartame NA 4.3472 NA 0.0051 NA 0.0091 NA 0.0100 NA 0.0205 NA 2.1866 NA 0.1037 NA 1.3177
Aspartylphenylalanine 1.0681 9.1575 0.0057 0.1727 0.0044 0.1497 0.0059 0.0761 0.0201 0.1282 0.3369 1.8664 0.0442 0.3393 0.3075 2.3174
Astragalin 0.2689 NA 2.7159 NA 2.0229 NA 0.4653 NA 0.4271 NA 0.4201 NA 0.5482 NA 1.1317 NA
Atazanavir 0.0745 NA 2.1400 NA 1.1904 NA 0.8261 NA 0.4422 NA 0.2699 NA 2.1670 NA 0.8900 NA
Atenolol NA 4.5210 NA 1.1803 NA 0.3755 NA 0.0295 NA 0.0287 NA 0.0528 NA 0.5305 NA 1.2817
Atrazine-Desethyl NA 3.8949 NA 0.3549 NA 0.4252 NA 0.4385 NA 0.4246 NA 0.6401 NA 1.2403 NA 0.5815
Atropine 0.0032 0.0121 0.0254 0.3999 0.2475 4.3493 0.2053 2.0205 0.2175 2.2531 0.2686 3.7685 0.0030 0.0270 0.1626 2.0365
Avocadyne Acetate 0.3523 NA 0.1553 NA 0.1880 NA 0.6937 NA 1.1582 NA 1.5630 NA 3.2825 NA 0.6069 NA
Azadirachtin 0.1425 NA 3.7359 NA 1.6543 NA 0.1883 NA 0.1005 NA 0.1035 NA 0.8430 NA 1.2320 NA
Azelaic acid 4.1736 NA 0.3011 NA 0.2429 NA 0.1931 NA 0.1799 NA 0.2700 NA 1.5702 NA 1.0691 NA
Azithromycin NA 4.6591 NA 0.5033 NA 0.3060 NA 0.3020 NA 0.2497 NA 0.2578 NA 1.0024 NA 0.7196
AZT NA 0.5418 NA 0.8391 NA 1.7247 NA 1.4372 NA 1.6478 NA 0.6193 NA 0.3581 NA 0.8321
Bakuchalcone NA 0.4875 NA 0.6307 NA 2.5494 NA 1.2770 NA 0.9493 NA 0.9576 NA 0.2474 NA 0.9010
Bamifylline 0.0344 NA 0.1569 NA 1.8619 NA 1.2837 NA 1.5304 NA 1.8940 NA 0.0350 NA 1.2038 NA
Benoxinate NA 0.1127 NA 0.9269 NA 3.8182 NA 0.5955 NA 0.7202 NA 0.8212 NA 0.0822 NA 0.9231
Benthiavalicarb-isopropyl 2.7425 5.5344 0.0216 0.1438 0.0373 0.0903 0.0289 0.0605 0.0297 0.0808 1.2222 2.6219 0.3564 0.6222 0.8086 1.5989
Benzocaine 0.0802 NA 0.4524 NA 2.8738 NA 1.5491 NA 1.8899 NA 0.2719 NA 0.2111 NA 0.6717 NA
Benzoic acid + 1O, 1MeO, O-Hex 0.0709 NA 1.6831 NA 3.2519 NA 0.4688 NA 0.4945 NA 0.5865 NA 0.4417 NA 1.0025 NA
Benzoic acid + 1O, O-Hex 2.4381 NA 1.3400 NA 0.5559 NA 0.1888 NA 0.1721 NA 0.1692 NA 2.1007 NA 1.0352 NA
Benzoic acid + 2O, O-Hex 0.6199 NA 3.8258 NA 1.3926 NA 0.0860 NA 0.1106 NA 0.2044 NA 0.8238 NA 0.9369 NA
Benzyl 6-O-beta-D-glucopyranosyl-beta-D-glucopyranoside 3.8325 NA 0.3204 NA 0.2751 NA 0.2336 NA 0.3060 NA 0.4438 NA 1.4832 NA 1.1054 NA
Betanechol NA 1.0525 NA 1.0411 NA 0.5149 NA 0.6183 NA 0.4991 NA 1.2488 NA 1.7009 NA 1.3244
Betaxolol NA 0.9922 NA 1.1249 NA 1.0856 NA 0.4801 NA 0.4913 NA 0.4827 NA 2.4945 NA 0.8487
Bezafibrate 2.0630 NA 0.2580 NA 0.8128 NA 0.7037 NA 0.5873 NA 1.7350 NA 0.4876 NA 1.3526 NA
Bifenazate NA 5.1949 NA 0.1944 NA 0.1880 NA 0.1634 NA 0.2044 NA 0.8820 NA 0.2507 NA 0.9223
Biliverdin 0.2890 1.7248 0.1603 1.0821 0.2150 1.2945 0.3646 1.7016 0.3954 1.6814 0.5834 3.2091 0.1240 0.9983 0.3003 1.8762
Bis(2-ethylhexyl) amine NA 0.0125 NA 0.0553 NA 1.3942 NA 1.3856 NA 2.0447 NA 1.9355 NA 0.0368 NA 1.1354
Bis(2-ethylhexyl) phthalate NA 0.6533 NA 1.2790 NA 0.3634 NA 0.7578 NA 0.5526 NA 1.4238 NA 2.0087 NA 0.9615
Bis(2-Ethylhexyl) Phthalate 0.1373 0.2305 0.1725 0.3416 0.5259 0.6320 2.4909 2.9327 1.8707 2.7936 0.7916 1.1204 0.1182 0.1945 0.5688 1.0790
Bis(4-ethylbenzylidene)sorbitol NA 0.5773 NA 0.8847 NA 0.7465 NA 0.9140 NA 0.9788 NA 1.5631 NA 1.3885 NA 0.9471
Bisacodyl 4.6595 NA 0.1391 NA 0.2688 NA 0.1964 NA 0.2442 NA 1.4431 NA 0.1513 NA 0.8977 NA
Bisoprolol NA 6.0675 NA 0.0893 NA 0.1221 NA 0.0907 NA 0.0969 NA 0.5657 NA 0.1162 NA 0.8517
Bispyribac 2.0162 NA 1.6397 NA 0.8339 NA 0.0456 NA 0.0516 NA 0.0663 NA 2.3385 NA 1.0081 NA
BMK methyl glycidate NA 0.2608 NA 0.1596 NA 1.7019 NA 1.7700 NA 1.4994 NA 1.3974 NA 0.1834 NA 1.0273
Bractein 0.2378 0.2080 3.8602 4.2658 0.0079 0.0136 0.0058 0.0159 0.0070 0.0198 0.0075 0.0234 3.0436 2.7463 0.7932 0.7443
Brosimacutin C 0.0018 0.0134 0.0009 0.0798 0.0409 4.2517 0.0205 4.3432 0.0273 2.9474 0.0143 2.4141 0.0011 0.0189 0.0144 1.8104
Brosimacutin G NA 0.1030 NA 0.2274 NA 1.9567 NA 2.0248 NA 1.0957 NA 1.3189 NA 0.1340 NA 1.1394
Brosimacutin H 0.0080 NA 0.0466 NA 2.2330 NA 2.2086 NA 1.4476 NA 1.1104 NA 0.0123 NA 0.9335 NA
Bufexamac NA 0.2874 NA 1.0650 NA 3.3134 NA 0.8262 NA 0.5769 NA 0.7492 NA 0.1626 NA 1.0194
Buflomedil NA 0.2182 NA 0.1968 NA 3.2625 NA 1.3338 NA 0.7934 NA 1.1760 NA 0.1971 NA 0.8223
Buphedrine NA 0.0461 NA 0.3576 NA 2.5057 NA 1.0269 NA 1.1875 NA 1.7182 NA 0.0486 NA 1.1094
Buprofezin NA 0.9636 NA 0.9815 NA 1.0574 NA 1.5660 NA 1.0109 NA 0.8474 NA 0.5681 NA 1.0050
C12-AE1S (TENTATIVE) 0.4371 NA 0.8880 NA 2.3089 NA 0.6816 NA 0.7169 NA 0.8470 NA 0.9884 NA 1.1321 NA
(+/-)-C75 NA 0.6804 NA 0.4782 NA 1.4639 NA 1.8062 NA 1.6012 NA 0.9600 NA 0.3225 NA 0.6876
Cadusafos 0.2786 NA 4.6672 NA 0.9168 NA 0.5428 NA 0.2346 NA 0.2850 NA 0.5495 NA 0.5254 NA
Cafestol NA 0.2831 NA 1.8032 NA 1.1090 NA 0.9505 NA 0.7214 NA 0.5331 NA 1.8312 NA 0.7686
Caffeic acid 5.4664 0.7897 0.0972 1.4668 0.6150 0.8040 0.0815 0.4094 0.1086 0.3691 1.9132 0.3160 0.0973 0.7238 1.9559 0.7860
Caffeic acid hexoside 0.2231 NA 0.9409 NA 2.2128 NA 1.3810 NA 0.9928 NA 0.9203 NA 0.4224 NA 0.9067 NA
Caffeoyl putrescin (isomer of 1059) NA 4.0052 NA 1.1873 NA 0.3957 NA 0.0849 NA 0.0671 NA 0.0621 NA 0.8596 NA 1.3381
Caffeoyl putrescin (isomer of 390) 3.9075 NA 0.3261 NA 0.6799 NA 0.4056 NA 0.5393 NA 0.4123 NA 0.2463 NA 1.4828 NA
(-)-Camphanic acid 0.2902 NA 0.9025 NA 0.5164 NA 0.3951 NA 1.1109 NA 3.0240 NA 0.6222 NA 1.1387 NA
Cannabidiol NA 1.4636 NA 1.2877 NA 1.2090 NA 0.4494 NA 0.3892 NA 0.6114 NA 1.3713 NA 1.2185
Capsaicin 0.0000 0.0030 0.0007 0.7280 0.0100 3.5380 0.0063 2.8270 0.0063 2.9007 0.0103 3.3900 0.0000 0.0374 0.0050 2.5375
Carbetamide 3.0393 NA 0.0207 NA 0.0217 NA 0.0212 NA 0.0528 NA 2.5777 NA 0.3387 NA 1.9278 NA
Carpelastofuran 0.8007 NA 2.0454 NA 1.7787 NA 0.6305 NA 0.4296 NA 0.2183 NA 1.1057 NA 0.9912 NA
Carteolol NA 0.5756 NA 0.0371 NA 0.1300 NA 0.7252 NA 1.7692 NA 3.5566 NA 0.0912 NA 1.1152
(-)-Caryophyllene oxide NA 3.6808 NA 0.4751 NA 0.1782 NA 0.1011 NA 0.1011 NA 0.4237 NA 1.9086 NA 1.1314
Castillene A NA 5.3619 NA 0.0620 NA 0.0435 NA 0.0326 NA 0.0475 NA 1.0995 NA 0.2222 NA 1.1308
Castillene B 0.0271 0.1396 0.0048 0.2546 0.0048 7.3007 0.0864 2.6988 0.0581 1.1240 0.4379 1.3745 0.0047 0.1670 0.1684 2.1488
Catechin 5,3^-di-O-beta-D-glucopyranoside 0.0551 NA 0.0310 NA 0.9461 NA 2.1027 NA 2.1081 NA 1.7956 NA 0.0299 NA 0.9316 NA
Cedrinoside 0.2669 NA 0.8420 NA 3.8228 NA 0.7315 NA 1.0031 NA 0.4997 NA 0.1500 NA 0.6840 NA
Cefquinome 0.1393 NA 0.8179 NA 4.2847 NA 0.9850 NA 0.6400 NA 0.3858 NA 0.2096 NA 0.5376 NA
Cerarvensin 0.5833 NA 0.5069 NA 0.6995 NA 1.8319 NA 1.9024 NA 1.0504 NA 0.7089 NA 0.7166 NA
Ceratodictyol NA 2.5152 NA 0.8066 NA 0.1754 NA 0.2448 NA 0.2719 NA 1.5207 NA 1.6587 NA 0.8067
Cetrimonium NA 0.3392 NA 1.5110 NA 0.1591 NA 0.2900 NA 0.2688 NA 4.1400 NA 0.4205 NA 0.8714
Chlordiazepoxide 0.5165 0.2173 0.6689 0.3015 3.2700 0.7604 1.9078 0.4697 2.3087 0.2255 2.0020 0.1236 0.9182 0.3406 1.6506 0.3186
Chlorogenic acid 1.3205 NA 1.7671 NA 1.0154 NA 0.6103 NA 0.5315 NA 0.5135 NA 1.1305 NA 1.1111 NA
Chlorproethazine 0.6060 NA 1.7047 NA 1.1603 NA 1.0520 NA 1.0801 NA 0.9615 NA 0.4756 NA 0.9597 NA
Choline NA 1.6062 NA 0.9743 NA 0.9688 NA 0.6301 NA 0.5763 NA 0.8495 NA 1.3300 NA 1.0650
Chrysosplenol C 6,4^-diglucoside 0.1535 NA 0.8472 NA 3.6409 NA 1.2706 NA 0.7213 NA 0.6315 NA 0.1887 NA 0.5463 NA
Ciclesonide NA 0.9137 NA 1.2913 NA 1.3845 NA 0.8414 NA 0.8393 NA 0.9978 NA 0.6443 NA 1.0878
Citraconic acid 0.5253 NA 0.5828 NA 0.7173 NA 1.2645 NA 1.5388 NA 1.6869 NA 0.4587 NA 1.2257 NA
Citral NA 0.7652 NA 1.6078 NA 1.0036 NA 0.3739 NA 0.3380 NA 0.4622 NA 2.3323 NA 1.1170
Citreoviridin NA 4.2367 NA 0.2417 NA 0.2666 NA 0.1932 NA 0.5249 NA 1.2571 NA 0.3293 NA 0.9504
Citric acid 0.7110 NA 0.3697 NA 0.4819 NA 1.2514 NA 1.7249 NA 1.7079 NA 0.6154 NA 1.1379 NA
Citrinin 0.0584 NA 0.0345 NA 2.8836 NA 1.9179 NA 1.0430 NA 1.1660 NA 0.0399 NA 0.8566 NA
Citroflex 4 NA 0.5927 NA 0.7677 NA 0.7227 NA 0.8184 NA 0.6442 NA 1.5123 NA 2.0055 NA 0.9364
Citroflex A-4 NA 0.5402 NA 0.6067 NA 0.5958 NA 1.0566 NA 0.7876 NA 1.9336 NA 1.5694 NA 0.9101
Clareolide NA 0.5908 NA 2.0050 NA 3.0652 NA 0.5208 NA 0.1874 NA 0.2457 NA 0.3485 NA 1.0366
Cloquintocet-mexyl NA 5.4394 NA 0.0641 NA 0.0539 NA 0.0446 NA 0.0598 NA 1.1227 NA 0.0954 NA 1.1200
Coniferylaldehyde NA 0.4411 NA 1.0492 NA 2.1370 NA 0.9654 NA 0.6445 NA 1.0207 NA 0.5754 NA 1.1668
Convallatoxin 2.3986 0.8389 0.8477 0.9029 0.0113 0.8756 0.0065 1.5240 0.0072 1.2807 0.0083 1.2407 2.0111 2.0500 0.9565 1.0397
Convolvamine NA 0.3527 NA 0.2719 NA 2.1629 NA 0.9026 NA 1.2418 NA 1.6269 NA 0.3948 NA 1.0463
Corchorifatty acid F 4.6689 NA 0.1748 NA 0.0664 NA 0.0655 NA 0.0353 NA 1.3219 NA 0.5688 NA 1.0984 NA
Corymboside NA 1.7869 NA 1.0561 NA 1.3125 NA 0.4605 NA 0.5182 NA 0.7000 NA 1.0853 NA 1.0805
Coumaroyl agmatine (isomer of 1297) NA 0.4000 NA 5.4984 NA 0.0612 NA 0.0092 NA 0.0085 NA 0.0055 NA 0.7987 NA 1.2186
Coumaroyl putrescin NA 1.4930 NA 2.3980 NA 0.0622 NA 0.0046 NA 0.0057 NA 0.0099 NA 3.0235 NA 1.0032
Coumaroyl quinic acid (isomer of 758, 759) 1.3424 NA 1.3531 NA 0.3792 NA 0.3420 NA 0.2272 NA 0.3105 NA 3.2684 NA 0.7773 NA
Coumaroyl quinic acid (isomer of 758, 760) 0.5336 NA 4.4443 NA 0.1128 NA 0.0461 NA 0.0464 NA 0.0422 NA 1.8271 NA 0.9474 NA
Crotonic acid NA 1.4873 NA 0.5453 NA 0.6758 NA 0.6181 NA 0.6530 NA 1.8186 NA 1.2267 NA 0.9753
Crotonoside NA 4.8672 NA 0.0923 NA 0.0674 NA 0.0419 NA 0.0255 NA 0.4599 NA 1.0687 NA 1.3771
Cyclohexamide NA 0.9837 NA 0.5084 NA 0.4655 NA 0.1875 NA 0.2026 NA 0.4487 NA 4.4507 NA 0.7528
Cyclohexylamine NA 0.3297 NA 0.5147 NA 2.6011 NA 1.1056 NA 1.4439 NA 1.0635 NA 0.2693 NA 0.6722
Cyclopentylacetic acid 0.6461 NA 3.0942 NA 1.3995 NA 0.1909 NA 0.0906 NA 0.4553 NA 1.1459 NA 0.9774 NA
Cyclopiazonic-Acid NA 3.6021 NA 0.2083 NA 0.2966 NA 0.5436 NA 0.9925 NA 1.0610 NA 0.2059 NA 1.0899
Cyclosulfamuron 0.3573 0.5269 0.1472 0.2870 0.7426 1.5801 1.0658 2.2165 1.2205 2.4900 0.9330 1.8871 0.1877 0.3794 0.6527 1.3261
Cycluron NA 1.5026 NA 1.2509 NA 1.3340 NA 0.7542 NA 0.6685 NA 0.9272 NA 0.5826 NA 0.9801
Cynaroside 3.7880 3.6394 1.0748 0.8051 0.1810 0.1379 0.0148 0.0199 0.0095 0.0110 0.0311 0.0386 2.1122 1.9346 1.1149 1.0873
Cyproconazole NA 0.3359 NA 0.2925 NA 1.4052 NA 1.3599 NA 1.6122 NA 1.8456 NA 0.1752 NA 0.9735
Cysteine 0.1170 NA 0.0722 NA 0.2723 NA 1.4465 NA 3.5961 NA 1.3222 NA 0.0537 NA 1.1201 NA
Cytidine NA 4.5520 NA 0.0220 NA 0.0206 NA 0.0132 NA 0.0276 NA 0.5047 NA 1.3014 NA 1.5584
Cytidine-3^,5^-cyclicmonophosphate NA 1.1068 NA 0.0655 NA 0.0664 NA 0.0561 NA 0.0695 NA 4.1227 NA 1.0922 NA 1.4208
Cytidine-3^-monophosphate 2.7529 NA 0.4030 NA 0.2959 NA 0.2352 NA 0.3007 NA 2.7203 NA 0.6808 NA 0.6112 NA
Cytidine 5^-monophosphate (hydrate) NA 2.3171 NA 0.0924 NA 0.0634 NA 0.0796 NA 0.0807 NA 2.8433 NA 1.2156 NA 1.3079
Cytosine NA 4.3884 NA 0.0250 NA 0.0202 NA 0.0169 NA 0.0208 NA 0.5484 NA 1.3848 NA 1.5955
D-(-)-3-PHOSPHOGLYCERIC ACID 0.1815 NA 2.4662 NA 1.6576 NA 2.1095 NA 0.4828 NA 0.3435 NA 0.3924 NA 0.3664 NA
Davallioside A 0.0363 0.1780 0.8643 3.3863 0.6732 1.7674 0.3052 1.4804 0.5699 1.6914 0.5095 2.0839 0.1474 0.5916 0.3127 1.4024
Davidioside 0.3644 NA 1.0248 NA 2.0095 NA 1.1067 NA 0.9692 NA 1.1013 NA 0.4136 NA 1.0104 NA
D-(+)-Camphor NA 2.8447 NA 0.4140 NA 1.1485 NA 0.2828 NA 0.2062 NA 0.2652 NA 2.1681 NA 0.6706
Deacetyl Diltiazem NA 0.0416 NA 1.6888 NA 2.0283 NA 0.8479 NA 1.1500 NA 0.9676 NA 0.0421 NA 1.2337
Decanamide NA 0.0288 NA 0.1891 NA 1.5030 NA 1.3643 NA 1.5783 NA 2.0716 NA 0.0352 NA 1.2298
Decoquinate 0.0130 0.0160 0.0124 0.1494 0.2819 3.2620 0.1601 2.0513 0.2494 3.4442 0.3089 3.9587 0.0126 0.0159 0.1564 1.9079
Dehydroascorbic acid 0.6002 NA 0.7160 NA 1.4977 NA 1.0595 NA 1.3155 NA 1.1967 NA 0.7674 NA 0.8469 NA
Dehydroepiandrosterone (DHEA) NA 0.2240 NA 0.0680 NA 0.5245 NA 2.5413 NA 1.7611 NA 1.7590 NA 0.1075 NA 1.0146
Demethylwedelolactone NA 0.2402 NA 2.8799 NA 2.2542 NA 0.4288 NA 0.3005 NA 0.3527 NA 0.4382 NA 1.1055
Deoxycorticosterone 21-glucoside 0.1505 NA 0.2267 NA 2.6212 NA 0.6786 NA 1.7681 NA 0.5732 NA 0.9957 NA 0.9858 NA
Deoxycorticosterone Acetate NA 1.2909 NA 1.1035 NA 0.8004 NA 0.6356 NA 0.9540 NA 0.5788 NA 1.7975 NA 0.8392
Deoxyguanosine diphosphate (dGDP) 0.0506 NA 1.3806 NA 1.4000 NA 1.0369 NA 1.9948 NA 0.1373 NA 0.9145 NA 1.0853 NA
Deoxynivalenol 0.2017 NA 2.8218 NA 0.8726 NA 0.1288 NA 0.1582 NA 0.1308 NA 2.9718 NA 0.7143 NA
DEOXYRIBOSE 1.0604 NA 0.9070 NA 1.3656 NA 0.8968 NA 0.7816 NA 0.6196 NA 1.3686 NA 1.0003 NA
Desmethylclozapine NA 4.1597 NA 0.0226 NA 0.0388 NA 0.0175 NA 0.0495 NA 2.1916 NA 0.2431 NA 1.2771
Desthiobiotin 3.1633 5.4401 0.0252 0.5938 0.0338 0.1086 0.0276 0.0758 0.0314 0.1529 0.7121 1.1378 0.4918 1.5154 1.0608 1.4296
D-(+)-Galactose 0.3311 NA 1.1489 NA 0.8722 NA 0.5706 NA 1.6243 NA 1.9477 NA 0.4511 NA 1.0541 NA
D-Glucopyranuronic acid 0.5240 NA 1.7578 NA 0.9004 NA 0.7250 NA 0.9590 NA 1.1767 NA 0.9133 NA 1.0437 NA
D-Glucose 6-phosphate 0.0808 NA 1.4052 NA 1.1717 NA 1.2698 NA 0.9663 NA 1.5190 NA 0.7546 NA 0.8326 NA
D-(-)-Glutamine 0.7552 NA 0.7041 NA 1.4743 NA 1.1167 NA 1.3857 NA 0.8596 NA 0.8298 NA 0.8746 NA
Diacetalol NA 0.2150 NA 1.1025 NA 1.5893 NA 0.7792 NA 0.8790 NA 0.5892 NA 2.0288 NA 0.8171
Diacetyl 0.8864 NA 0.9197 NA 0.8207 NA 0.6803 NA 1.0945 NA 1.8109 NA 0.6999 NA 1.0876 NA
Diafenthiuron NA 0.1173 NA 0.1089 NA 1.7413 NA 1.2683 NA 1.1256 NA 2.2454 NA 0.1164 NA 1.2767
Diazinon-Oxon 3.8034 NA 0.1982 NA 0.9286 NA 0.3684 NA 0.1425 NA 0.3203 NA 0.2664 NA 1.9723 NA
Dibutylone NA 0.1810 NA 0.7900 NA 1.7131 NA 1.2472 NA 1.5134 NA 1.3189 NA 0.3708 NA 0.8656
Dicoumaroyl Spermidine 0.3712 12.5805 0.0023 0.0061 0.0019 0.0130 0.0022 0.0092 0.0067 0.0098 0.0028 0.0094 0.0033 0.0137 0.1266 2.8413
Didecyldimethylammonium NA 0.0437 NA 0.2516 NA 0.0747 NA 0.3559 NA 0.2678 NA 6.0267 NA 0.0795 NA 0.9001
Difloxacin 2.4715 NA 0.1711 NA 0.1669 NA 0.1529 NA 0.1130 NA 1.3239 NA 1.7588 NA 1.8419 NA
Diflufenzopyr 0.2646 NA 1.4687 NA 1.8132 NA 1.2934 NA 1.1547 NA 1.0175 NA 0.2200 NA 0.7680 NA
Digoxin 0.0480 0.2134 0.0513 5.2465 0.1525 3.1032 0.2829 0.3740 0.3257 0.5634 0.2136 0.3084 0.0770 3.3945 0.1219 1.5240
Dihydrobenzoic acid pentose 0.3615 NA 1.3774 NA 1.9049 NA 0.6869 NA 0.8530 NA 0.6049 NA 1.2562 NA 0.9551 NA
Dihydrocapsaicin 0.0000 0.0025 0.0004 0.5055 0.0075 3.4302 0.0053 2.9295 0.0053 2.8778 0.0087 3.6977 0.0000 0.0307 0.0041 2.4948
Dihydrokaempferol NA 6.2642 NA 0.1033 NA 0.0825 NA 0.0776 NA 0.0806 NA 0.0868 NA 0.2072 NA 1.0979
Dihydrokanakugiol NA 0.4127 NA 1.6565 NA 0.6647 NA 0.4507 NA 0.4253 NA 0.3351 NA 3.2477 NA 0.8074
Dihydrophelloside 0.2967 NA 0.2063 NA 1.2705 NA 2.1879 NA 1.4353 NA 1.4244 NA 0.2075 NA 0.9714 NA
Dihydrosphingosine NA 2.2282 NA 0.6844 NA 0.1863 NA 0.0683 NA 0.1375 NA 0.1821 NA 3.7568 NA 0.7565
Dimethyl phthalate NA 1.7900 NA 0.1378 NA 0.1423 NA 0.1814 NA 0.1544 NA 1.9699 NA 2.6513 NA 0.9729
Dimethyl Phthalate NA 1.3823 NA 0.4516 NA 0.9201 NA 1.2658 NA 1.2455 NA 1.6531 NA 0.3808 NA 0.7009
Dinitramine 0.7637 NA 1.3154 NA 1.3849 NA 1.0651 NA 0.9734 NA 1.2209 NA 0.1858 NA 1.0908 NA
Dinophysistoxin-1 NA 0.0175 NA 1.4684 NA 1.2745 NA 0.7716 NA 0.3630 NA 0.0746 NA 3.0290 NA 1.0013
Diosgenin NA 0.0437 NA 0.0154 NA 0.1000 NA 0.1016 NA 0.0832 NA 6.5345 NA 0.0216 NA 1.1000
Diosgenin glucoside NA 0.0412 NA 0.0454 NA 0.7371 NA 5.2504 NA 0.6966 NA 0.2432 NA 0.0446 NA 0.9415
Diospyrin NA 0.1297 NA 0.9109 NA 1.5180 NA 0.9427 NA 1.4074 NA 0.9174 NA 1.2392 NA 0.9347
Diphenidine NA 0.1490 NA 0.1045 NA 2.1269 NA 3.0622 NA 0.9133 NA 0.5787 NA 0.0611 NA 1.0042
Diphenylphosphine oxide NA 1.5033 NA 0.2652 NA 0.0986 NA 0.3513 NA 0.1251 NA 2.0891 NA 2.6546 NA 0.9128
DL-Arginine 0.0836 2.0637 0.0080 0.2805 0.0319 1.0291 0.0929 2.4145 0.1087 3.4664 0.1187 3.8933 0.0098 0.3351 0.0645 1.9994
DLK NA 5.9363 NA 0.0284 NA 0.0168 NA 0.0127 NA 0.0211 NA 0.6134 NA 0.3492 NA 1.0221
DL-Lactic Acid 0.3568 NA 0.3855 NA 0.6945 NA 1.0559 NA 1.3113 NA 2.1301 NA 0.3571 NA 1.7087 NA
DL-Leucine 4.1525 NA 0.2997 NA 0.6004 NA 0.3707 NA 0.2681 NA 1.0877 NA 0.2878 NA 0.9332 NA
DL-Lysine NA 2.2147 NA 0.2794 NA 0.6386 NA 0.6917 NA 0.9334 NA 1.7523 NA 0.2830 NA 1.2069
DL-Stachydrine NA 0.1514 NA 1.1196 NA 1.1645 NA 1.1569 NA 1.4471 NA 1.1625 NA 0.9140 NA 0.8840
DL-Tryptophan 0.0685 3.8567 0.0333 1.4958 0.0364 1.7025 0.0207 0.9993 0.0532 2.2730 0.0546 2.6385 0.0084 0.4437 0.0457 2.2695
D-(+)-Malic acid 0.6650 NA 1.3597 NA 1.8001 NA 0.7316 NA 0.6761 NA 0.4620 NA 1.4390 NA 0.8664 NA
D-(+)-Maltose 0.0142 0.0369 0.0219 2.1509 0.0208 2.2673 0.0281 4.6588 0.0283 3.0740 0.0239 0.4557 0.0249 1.0962 0.0193 2.0788
DNH NA 0.1479 NA 1.6392 NA 1.7902 NA 1.2255 NA 0.6944 NA 1.0488 NA 0.5303 NA 0.9238
Dobutamine NA 0.0010 NA 0.2235 NA 2.2058 NA 1.1838 NA 1.2800 NA 1.9811 NA 0.0081 NA 1.1168
Dodecyl sulfate 0.7926 NA 0.9850 NA 1.7157 NA 0.7574 NA 0.8534 NA 0.8739 NA 0.9037 NA 1.1183 NA
Dodecyltrimethylammonium NA 0.0019 NA 0.0219 NA 0.8087 NA 1.4989 NA 2.0102 NA 2.5832 NA 0.0065 NA 1.0688
D-Panthenol NA 0.4973 NA 0.3079 NA 0.1959 NA 0.4304 NA 0.3304 NA 4.8280 NA 0.2065 NA 1.2037
D-(-)-Quinic acid 1.5966 0.0044 3.8666 0.0540 1.7424 0.0234 0.5698 0.0077 0.8958 0.0055 1.3310 0.0050 4.0837 0.0609 1.7369 0.0163
DR 30 0.1014 NA 0.1076 NA 0.5029 NA 1.9625 NA 2.0388 NA 2.1818 NA 0.0731 NA 1.0319 NA
Drospirenone NA 1.4640 NA 1.3329 NA 1.1897 NA 0.4155 NA 0.3196 NA 0.6241 NA 1.4579 NA 1.1963
D-Sphingosine NA 5.7749 NA 0.1562 NA 0.0425 NA 0.0206 NA 0.0352 NA 0.1231 NA 0.7882 NA 1.0592
D-(+)-Xylose 0.5609 NA 1.1700 NA 1.0577 NA 0.7570 NA 0.9765 NA 1.0683 NA 1.3741 NA 1.0355 NA
(E)-3-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-enoic acid 0.0240 NA 0.7388 NA 1.6439 NA 1.8747 NA 1.4153 NA 1.3203 NA 0.0368 NA 0.9463 NA
Ecgonine NA 0.3419 NA 0.0976 NA 2.3850 NA 1.5251 NA 1.4533 NA 1.1302 NA 0.0277 NA 1.0392
Ecgonine methyl ester NA 1.6140 NA 0.0956 NA 1.1444 NA 1.6642 NA 1.2596 NA 1.0030 NA 0.1808 NA 1.0383
Eicosapentaenoic acid NA 2.0011 NA 0.5537 NA 0.6204 NA 1.1787 NA 0.8695 NA 0.9812 NA 0.7612 NA 1.0342
Eicosapentaenoic acid methyl ester NA 4.3972 NA 0.1578 NA 0.1552 NA 0.2044 NA 0.1897 NA 0.2040 NA 1.9354 NA 0.7563
Eleostearic acid NA 3.4917 NA 0.1238 NA 0.0765 NA 0.0340 NA 0.0236 NA 0.3555 NA 2.9928 NA 0.9022
ELK NA 4.8182 NA 0.0213 NA 0.0175 NA 0.0169 NA 0.0262 NA 1.5088 NA 0.4041 NA 1.1870
Enalaprilat NA 4.4722 NA 0.0906 NA 0.0762 NA 0.0583 NA 0.0626 NA 0.9398 NA 1.2150 NA 1.0854
(-)-Epigallocatechin 3-gallate 0.3537 NA 0.2054 NA 2.1697 NA 1.9865 NA 1.3268 NA 0.8681 NA 0.1478 NA 0.9421 NA
Epigallocatechin 3-O- (3-O-methylgallate) 0.5289 NA 0.2863 NA 2.1695 NA 2.1772 NA 1.1473 NA 0.6560 NA 0.1912 NA 0.8436 NA
Epitestosterone NA 2.6720 NA 1.0468 NA 0.3235 NA 0.2116 NA 0.1284 NA 0.1543 NA 2.6208 NA 0.8427
Ergocristine 0.2377 NA 2.3584 NA 1.0241 NA 0.4512 NA 0.3068 NA 0.1842 NA 2.5159 NA 0.9216 NA
Eriodictyol 6.0634 NA 0.0991 NA 0.1759 NA 0.1069 NA 0.0985 NA 0.1500 NA 0.1011 NA 1.2051 NA
eriodictyol-7-O-glucoside 0.8974 NA 1.3267 NA 0.7090 NA 0.2393 NA 0.4955 NA 0.6165 NA 2.9042 NA 0.8114 NA
Eruberin C 1.2377 NA 0.4059 NA 1.2082 NA 1.4468 NA 0.9282 NA 1.1551 NA 0.5998 NA 1.0183 NA
Erythrono-1,4-lactone NA 0.4870 NA 2.5972 NA 0.4825 NA 0.0963 NA 0.1141 NA 0.0946 NA 3.4133 NA 0.7150
Esculetin NA 5.3352 NA 0.3898 NA 0.3038 NA 0.1832 NA 0.0951 NA 0.0699 NA 0.2559 NA 1.3670
Esculin 0.5312 NA 2.6280 NA 1.0062 NA 0.4052 NA 0.7548 NA 0.3850 NA 1.4352 NA 0.8545 NA
Esmolol NA 0.1593 NA 1.9276 NA 2.0602 NA 0.2733 NA 0.3932 NA 1.3900 NA 0.7970 NA 0.9995
Esprocarb NA 2.0988 NA 1.4970 NA 0.8743 NA 0.7141 NA 0.7970 NA 0.5967 NA 0.3347 NA 1.0875
Ethyl 3,5-dimethyl-4-{[(2-oxo-3-azepanyl)amino]sulfonyl}-1H-pyrrole-2-carboxylate 3.0672 NA 2.6973 NA 0.0597 NA 0.0052 NA 0.0066 NA 0.0088 NA 1.0110 NA 1.1442 NA
Ethyl 6-[(2,4-dichlorophenyl)methylene]-5-oxo-5,6,7,8-tetrahydronaphthalene-2-carboxylate NA 0.5723 NA 1.7743 NA 3.4895 NA 0.1948 NA 0.2204 NA 0.3193 NA 0.5665 NA 0.8629
Ethyl Loflazepate 0.5397 NA 4.8418 NA 1.1756 NA 0.1388 NA 0.1317 NA 0.1605 NA 0.2049 NA 0.8070 NA
Ethylmalonic acid 1.1965 NA 0.8376 NA 0.6951 NA 0.4701 NA 1.0102 NA 1.7307 NA 1.1069 NA 0.9529 NA
Ethylmorphine NA 0.0992 NA 0.1927 NA 2.8398 NA 1.1195 NA 0.9768 NA 1.7221 NA 0.0728 NA 0.9772
Ethyl oleate NA 5.6369 NA 0.3137 NA 0.2720 NA 0.2105 NA 0.2067 NA 0.2188 NA 0.2280 NA 0.9133
Etodolac NA 0.1768 NA 0.0915 NA 2.6236 NA 1.2043 NA 1.3164 NA 1.4896 NA 0.1220 NA 0.9758
Etoxazole 0.0078 1.1473 0.0067 1.6015 0.4375 0.7903 0.4024 1.7997 0.3003 1.0820 0.5302 3.6594 0.0067 2.2832 0.2226 1.7224
Exemestane NA 1.8284 NA 0.1271 NA 1.3225 NA 1.1606 NA 1.1810 NA 1.1119 NA 0.8978 NA 0.3707
Exiguaflavanone D 2.7628 NA 0.2482 NA 0.1124 NA 0.7212 NA 0.4424 NA 1.0986 NA 1.0217 NA 1.5927 NA
FA 18:3+2O 4.7299 NA 0.1796 NA 0.1079 NA 0.0278 NA 0.0280 NA 0.5375 NA 1.3128 NA 1.0766 NA
FA 18:3+3O 1.0286 NA 0.0951 NA 0.1152 NA 0.0730 NA 0.0760 NA 4.8922 NA 0.9234 NA 0.7966 NA
FA 18:4+2O 3.5031 NA 0.8742 NA 0.5654 NA 0.4911 NA 0.1826 NA 0.9349 NA 0.8633 NA 0.5854 NA
FA 9:2+1O 3.9275 NA 0.5852 NA 0.3801 NA 0.3519 NA 0.1569 NA 0.2567 NA 1.3092 NA 1.0325 NA
Famoxadone 1.5604 NA 0.4758 NA 1.2071 NA 0.9312 NA 1.0650 NA 0.9293 NA 0.7146 NA 1.1167 NA
Farnesyl pyrophosphate 0.1475 NA 0.0883 NA 1.3059 NA 0.9477 NA 1.6444 NA 2.7489 NA 0.1354 NA 0.9819 NA
Felbamate 1.1873 6.4311 0.0043 0.0080 0.0046 0.0181 0.0092 0.0306 0.0263 0.1076 1.1243 4.3270 0.0098 0.0401 0.5438 2.1280
Fenpropimorph NA 0.1259 NA 0.0530 NA 2.8745 NA 1.1067 NA 1.2483 NA 1.4045 NA 0.0723 NA 1.1148
Fentrazamide 4.0633 5.5873 0.0191 0.0450 0.0191 0.0445 0.0221 0.0455 0.0270 0.0556 1.0370 2.0883 0.2162 0.4947 0.7368 1.4984
Ferulic acid 0.1300 0.1401 0.2953 0.2415 1.2026 2.1677 0.3994 2.8881 0.1257 3.9419 0.1437 2.2351 0.0554 0.0394 0.3341 1.6597
Feruloyl O-methyldopamine NA 3.9834 NA 0.0400 NA 0.3879 NA 0.4050 NA 0.5737 NA 1.1196 NA 0.2451 NA 1.2453
Feruloyl putrescine (isomer of 1173) NA 2.3788 NA 1.6486 NA 0.9404 NA 0.3608 NA 0.2270 NA 0.2349 NA 1.0739 NA 1.1357
feruloyltyramine 4.9030 NA 0.0313 NA 0.8207 NA 0.4889 NA 0.3105 NA 0.3969 NA 0.0940 NA 0.9548 NA
Ficine 5.1009 NA 0.0726 NA 0.0679 NA 0.0742 NA 0.0971 NA 1.4749 NA 0.0758 NA 1.0366 NA
FL1AUNGS0001_a 5.5128 0.1989 0.7500 3.2987 0.2439 0.6895 0.0564 0.0561 0.0410 0.0239 0.3218 0.0286 1.5066 1.3274 1.2753 0.6689
FL2F19NC0002_a NA 1.3799 NA 1.0966 NA 0.9323 NA 0.4186 NA 0.6156 NA 0.5951 NA 2.0502 NA 0.9115
FL2F3GGS0001_a 0.1487 NA 0.1187 NA 2.1014 NA 1.9210 NA 1.7806 NA 0.9099 NA 0.0593 NA 0.9604 NA
FL2FAAGC0001_a 0.0371 NA 0.6517 NA 1.5561 NA 1.6177 NA 1.6967 NA 1.3271 NA 0.2402 NA 0.8733 NA
FL2FEGGS0001_a 2.7276 NA 0.2240 NA 0.3216 NA 0.3210 NA 0.2503 NA 2.9004 NA 0.2291 NA 1.0260 NA
Flaccidine 0.3897 NA 1.5303 NA 1.7001 NA 0.8638 NA 0.9560 NA 0.5599 NA 1.3261 NA 0.6742 NA
Flavanone base + 4O, O-Hex, C-Pen 2.0374 NA 2.0536 NA 0.8363 NA 0.1505 NA 0.1276 NA 0.1338 NA 1.5786 NA 1.0821 NA
Flavin adenine dinucleotide (FAD) 0.2178 NA 1.1458 NA 0.7001 NA 0.7337 NA 1.4798 NA 1.7979 NA 1.0173 NA 0.9076 NA
Flavone base + 4O, O-MalonylHex NA 1.9265 NA 2.2232 NA 0.9447 NA 0.0710 NA 0.0393 NA 0.0432 NA 1.7286 NA 1.0236
Flemistrictin E NA 0.0086 NA 0.0472 NA 2.1498 NA 2.1558 NA 1.4729 NA 1.2014 NA 0.0106 NA 0.9536
Fluazifop-Butyl 5.7617 NA 0.0896 NA 0.0848 NA 0.0941 NA 0.1193 NA 0.6494 NA 0.1955 NA 1.0057 NA
Flunarizine 0.9935 0.0732 3.5824 0.0036 1.9649 0.0034 1.4145 0.0028 0.9288 0.0032 0.2230 0.0157 4.8691 0.0048 1.9013 0.0158
Fluoxetine 5.4529 3.1294 0.0224 0.0698 0.0239 0.0346 0.0189 0.0365 0.0208 0.0452 2.5755 1.2261 0.4216 0.1941 1.8055 0.9229
Formononetin 7-O- (6"-acetylglucoside) NA 1.1287 NA 0.9036 NA 0.7824 NA 0.7802 NA 1.2720 NA 0.5686 NA 1.5709 NA 0.9936
Fosthiazate 4.4493 NA 0.1428 NA 0.0864 NA 0.0859 NA 0.1455 NA 0.1986 NA 1.8666 NA 1.0249 NA
FPH NA 5.2628 NA 0.1952 NA 0.0889 NA 0.0934 NA 0.1222 NA 1.0739 NA 0.4574 NA 0.7060
Fumaric acid 0.5028 NA 1.1639 NA 1.8014 NA 0.8849 NA 0.9275 NA 0.9003 NA 1.1094 NA 0.7099 NA
Furaltadone 0.1322 0.0523 0.0525 1.6564 0.0366 1.2438 0.0667 3.6935 0.0712 3.5071 0.0723 2.4950 0.3192 0.5870 0.0815 1.9328
Furmecyclox NA 0.0487 NA 0.6180 NA 2.6247 NA 0.9904 NA 1.1566 NA 1.5146 NA 0.0475 NA 0.9996
Furostane base + O-Hex, O-Hex-Hex-Hex 0.1552 NA 0.0573 NA 0.1195 NA 3.5116 NA 1.1689 NA 1.6985 NA 0.0909 NA 1.1981 NA
Gabapentin Related Compound E 1.3962 NA 0.7072 NA 0.3557 NA 0.5234 NA 0.2713 NA 0.5981 NA 3.3602 NA 0.7879 NA
Gallic acid 0.2498 NA 0.4331 NA 1.0142 NA 0.6075 NA 1.0012 NA 2.7810 NA 0.4947 NA 1.4186 NA
Gallic acid hexoside 0.1995 NA 2.9927 NA 0.5365 NA 0.1375 NA 0.0724 NA 0.1106 NA 3.1714 NA 0.7793 NA
gamma-Decalactone NA 0.0538 NA 0.4789 NA 2.4532 NA 1.4772 NA 1.0553 NA 1.2891 NA 0.0559 NA 1.1365
gamma-Glutamylleucine 5.3975 NA 0.0076 NA 0.0079 NA 0.0060 NA 0.0146 NA 1.1388 NA 0.1823 NA 1.2453 NA
gamma-Glutamylmethionine 4.7817 NA 0.0062 NA 0.0059 NA 0.0069 NA 0.0086 NA 1.9546 NA 0.1353 NA 1.1008 NA
gamma-Glutamyltyrosine 8.6794 1.3866 0.0099 0.0509 0.0128 0.2063 0.0137 0.1228 0.0173 0.1385 2.1142 0.2511 0.3084 0.0827 2.1960 0.4094
Gancaonin J NA 0.5318 NA 0.3032 NA 1.2452 NA 1.3727 NA 1.5481 NA 1.5600 NA 0.1827 NA 1.2563
Genistein 6.5039 NA 0.0411 NA 0.0546 NA 0.0348 NA 0.0409 NA 0.0321 NA 0.0458 NA 1.2467 NA
Germacrone NA 1.3888 NA 0.8721 NA 0.7225 NA 0.6606 NA 0.9481 NA 1.2964 NA 0.9476 NA 1.1639
Gitogenin NA 0.1796 NA 0.0549 NA 0.3959 NA 2.7005 NA 1.8174 NA 1.6905 NA 0.0863 NA 1.0748
Glabrachromene II NA 2.5260 NA 0.6915 NA 0.7964 NA 0.8088 NA 0.5266 NA 0.6251 NA 0.9731 NA 1.0526
Glibornuride NA 0.0239 NA 0.2289 NA 1.3877 NA 2.1432 NA 1.3858 NA 1.2978 NA 0.0305 NA 1.5022
Gliricidol 0.0679 NA 2.1859 NA 0.1778 NA 0.0183 NA 0.0232 NA 0.0320 NA 5.0057 NA 0.4892 NA
GLK NA 4.1534 NA 0.0084 NA 0.0082 NA 0.0081 NA 0.0207 NA 2.5457 NA 0.0459 NA 1.2095
Gluconic acid 0.7222 NA 1.1468 NA 1.1792 NA 0.9857 NA 0.8676 NA 0.9285 NA 1.1998 NA 0.9701 NA
Glutamylleucine NA 4.6696 NA 0.0081 NA 0.0108 NA 0.0077 NA 0.0218 NA 1.5852 NA 0.2960 NA 1.4008
Glutamylphenylalanine (isomer of 1503) NA 3.7531 NA 0.1191 NA 0.2988 NA 0.3019 NA 0.4039 NA 1.4468 NA 0.3780 NA 1.2984
Glutamyltyrosine NA 5.1235 NA 0.0045 NA 0.0070 NA 0.0054 NA 0.0079 NA 1.3091 NA 0.1954 NA 1.3471
Glu-Thr 1.8410 3.1791 0.1394 0.0768 0.1121 0.0922 0.1003 0.0726 0.1255 0.1202 2.3861 5.2621 0.1308 0.2746 0.5395 1.5478
Glu-Val-Phe NA 5.7034 NA 0.0068 NA 0.0084 NA 0.0194 NA 0.0793 NA 1.0119 NA 0.1322 NA 1.0385
Glycerophospho-N-palmitoyl ethanolamine 8.9435 3.0682 0.0860 0.1418 0.0979 0.0925 0.0666 0.1390 0.0616 0.1067 0.2279 0.0868 0.6769 0.1246 1.5372 0.5428
Glycopyrrolate NA 0.0134 NA 0.1201 NA 2.1762 NA 1.1999 NA 1.5056 NA 1.8689 NA 0.0196 NA 1.0963
Glycyl-L-leucine 1.4758 7.5201 0.0053 0.0318 0.0067 0.0716 0.0129 0.1660 0.0410 0.3752 0.5493 2.6945 0.0246 0.1075 0.5266 2.3909
Gly-Tyr 2.1115 8.0609 0.0066 0.0224 0.0092 0.0156 0.0068 0.0231 0.0090 0.0299 0.5281 1.6645 0.1024 0.3274 0.7271 2.3555
Gly-Tyr-Ala NA 4.5892 NA 0.0557 NA 0.0406 NA 0.0363 NA 0.0458 NA 1.7359 NA 0.2132 NA 1.2833
Gly-Val NA 3.7967 NA 0.0404 NA 0.0367 NA 0.0407 NA 0.0667 NA 2.5198 NA 0.2237 NA 1.2753
Grossamide or its isomer (not validated) NA 2.8568 NA 0.1988 NA 0.7359 NA 0.2696 NA 0.2602 NA 0.4076 NA 2.3291 NA 0.9420
Grossamide or its isomer (Not validated) 3.4389 NA 0.0864 NA 0.5066 NA 0.5605 NA 0.4767 NA 0.7228 NA 1.3158 NA 0.8922 NA
Guanine 0.0697 9.6673 0.0016 0.1866 0.0011 0.1337 0.0008 0.0858 0.0004 0.0535 0.0112 0.9085 0.0252 2.1019 0.0329 2.7198
Guanosine 4.3566 NA 0.1096 NA 0.0792 NA 0.0474 NA 0.0286 NA 0.5603 NA 1.2125 NA 1.6059 NA
Guanosine-3^,5^-cyclic monophosphate 1.9552 NA 0.0195 NA 0.0154 NA 0.0075 NA 0.0128 NA 4.0645 NA 0.8298 NA 1.0953 NA
Guanosine 5^-monophosphate NA 1.1497 NA 0.5018 NA 0.2843 NA 0.1435 NA 0.1860 NA 3.8521 NA 0.8132 NA 1.0692
Guanosine cyclic monophosphate NA 1.7480 NA 0.0187 NA 0.0118 NA 0.0054 NA 0.0142 NA 4.2401 NA 0.8443 NA 1.1176
Guanosine monophosphate (GMP) 1.9141 NA 0.8900 NA 0.3423 NA 0.1588 NA 0.1408 NA 2.1486 NA 1.3102 NA 1.0952 NA
Haloperidol 1.8961 NA 0.3728 NA 0.8976 NA 0.4979 NA 0.5020 NA 1.2236 NA 1.3575 NA 1.2524 NA
Helilupolone 0.1372 NA 0.7190 NA 0.0620 NA 0.0317 NA 0.0330 NA 0.0332 NA 6.5323 NA 0.4517 NA
Heroin-d3 NA 0.6675 NA 1.0174 NA 0.3975 NA 0.3318 NA 0.4330 NA 0.4224 NA 3.8099 NA 0.9207
Hexaacetylpyracanthoside 0.0548 NA 1.1022 NA 1.9320 NA 1.5818 NA 1.2074 NA 0.9592 NA 0.0435 NA 1.1191 NA
Hexadecanamide NA 0.0295 NA 0.2438 NA 1.2005 NA 2.2003 NA 1.6635 NA 1.5250 NA 0.0468 NA 1.0907
Hexadecanedioic acid 0.8994 NA 1.9249 NA 1.6989 NA 0.6758 NA 0.4949 NA 1.0932 NA 0.1481 NA 1.0649 NA
Homo-anatoxin NA 0.1944 NA 0.1132 NA 1.9682 NA 1.4022 NA 1.4595 NA 1.8577 NA 0.1432 NA 0.8616
Homobutein 4-glucoside 0.0170 NA 2.1818 NA 1.4292 NA 0.8960 NA 1.3742 NA 1.0505 NA 0.0141 NA 1.0373 NA
Homocapsaicin 0.0001 0.0008 0.0003 0.5412 0.0032 3.6471 0.0020 2.6817 0.0023 2.9068 0.0035 3.8989 0.0001 0.0246 0.0016 2.2859
HomodihydrocapsaicinI 0.0001 0.0015 0.0003 0.6982 0.0026 3.0734 0.0021 2.7513 0.0023 2.8928 0.0040 4.2778 0.0001 0.0186 0.0015 2.2733
Hosloppin 0.0518 NA 0.0740 NA 1.3399 NA 1.9863 NA 2.4528 NA 1.1302 NA 0.0313 NA 0.9338 NA
Hovetrichoside D 0.9655 NA 2.9486 NA 1.1809 NA 0.0899 NA 0.0741 NA 0.0772 NA 1.6140 NA 1.0498 NA
HT2-Toxin 5.8959 NA 0.0766 NA 0.1698 NA 0.1318 NA 0.1480 NA 0.1948 NA 0.0888 NA 1.2943 NA
Hydrocortisone 17-Butyrate 0.1622 0.2635 2.1365 1.4856 3.2037 2.7891 0.9242 1.0844 0.2369 0.3560 0.3611 0.5385 0.0161 0.0063 1.1246 1.3113
Hydrocortisone Aceponate NA 0.9860 NA 0.3448 NA 0.8078 NA 1.2517 NA 1.1903 NA 1.7940 NA 0.2905 NA 1.3348
Hydroxyacetildenafil NA 0.1341 NA 0.9183 NA 2.7492 NA 1.6462 NA 0.5256 NA 0.9253 NA 0.0625 NA 1.0389
Hydroxyitraconazole NA 0.5781 NA 0.1856 NA 1.0025 NA 0.9757 NA 2.4487 NA 1.9772 NA 0.1881 NA 0.6440
Hydroxysophoranone 2.0917 NA 0.0390 NA 0.0289 NA 0.0272 NA 0.0286 NA 3.9486 NA 0.8323 NA 1.0037 NA
Hydroxysuberic acid 4.6557 NA 0.2223 NA 0.2685 NA 0.1031 NA 0.0931 NA 0.2775 NA 1.4254 NA 0.9545 NA
Hypoxanthine NA 5.3897 NA 0.0318 NA 0.0566 NA 0.0297 NA 0.0535 NA 0.2285 NA 0.7082 NA 1.5020
ILK NA 4.9201 NA 0.0363 NA 0.0262 NA 0.0213 NA 0.0260 NA 1.4445 NA 0.0401 NA 1.4855
Imazamox 3.1330 6.2576 0.0554 0.1043 0.0323 0.0449 0.0114 0.0297 0.0109 0.0246 0.9850 2.4169 0.0431 0.1180 0.8053 1.9276
Imazapic 0.9590 10.1296 0.0254 0.0274 0.0260 0.0250 0.0211 0.0177 0.0192 0.0198 0.1948 1.4446 0.0242 0.1990 0.2949 2.5722
Imazapyr 0.7236 3.3751 0.0067 0.4199 0.0070 1.9670 0.0049 2.1056 0.0065 2.6619 0.3897 1.9908 0.0052 0.7615 0.2706 1.3040
indole NA 2.0738 NA 0.7067 NA 1.0451 NA 0.5919 NA 1.2598 NA 0.9101 NA 0.1629 NA 1.2497
Indoline NA 4.4671 NA 0.0869 NA 0.1381 NA 0.1541 NA 0.1708 NA 1.6799 NA 0.1875 NA 1.1156
Indoprofen NA 6.2756 NA 0.0707 NA 0.0835 NA 0.0494 NA 0.0663 NA 0.0588 NA 0.0992 NA 1.2965
Inosine 3.8315 NA 0.5259 NA 0.4046 NA 0.3166 NA 0.2339 NA 0.4851 NA 0.7543 NA 1.4480 NA
Ipconazole NA 0.3192 NA 0.2812 NA 0.2516 NA 0.2212 NA 1.0072 NA 4.8599 NA 0.2812 NA 0.7785
IPK NA 3.6173 NA 0.0340 NA 0.0234 NA 0.0216 NA 0.0261 NA 3.2502 NA 0.0375 NA 0.9899
Ipratropium NA 0.0011 NA 0.0205 NA 2.6027 NA 1.5708 NA 1.0976 NA 1.5847 NA 0.0027 NA 1.1200
Iprobenfos 4.5445 NA 0.5667 NA 0.3185 NA 0.0780 NA 0.0313 NA 0.0938 NA 1.2705 NA 1.0967 NA
Isoamylamine NA 2.8274 NA 0.3241 NA 0.9145 NA 0.8422 NA 1.0280 NA 0.6984 NA 0.1924 NA 1.1729
Isocarbamid NA 4.9723 NA 0.0324 NA 0.0343 NA 0.0307 NA 0.0349 NA 1.4502 NA 0.2553 NA 1.1900
Isoleucine NA 2.7938 NA 0.5083 NA 0.6205 NA 0.5009 NA 0.5183 NA 1.1865 NA 0.4955 NA 1.3761
Isoleucylserine NA 4.5716 NA 0.0118 NA 0.0189 NA 0.0431 NA 0.1266 NA 1.8757 NA 0.0961 NA 1.2562
Isomollupentin 7-O-glucoside-2"-O-xyloside 0.2416 NA 1.3337 NA 2.5140 NA 0.9957 NA 0.7309 NA 0.5984 NA 0.4724 NA 1.1132 NA
Isoorientin 4^-O-glucoside 2"-O- (E) -ferulate 0.7832 NA 4.7130 NA 0.1206 NA 0.0226 NA 0.0277 NA 0.0348 NA 1.3335 NA 0.9645 NA
Isoorientin 4^-O-glucoside 2"-O-p-hydroxybenzoate 1.1389 0.5152 2.7318 1.5976 1.6225 0.7087 0.8832 0.3397 0.6654 0.2353 0.5628 0.1851 1.8171 0.7753 1.5382 0.6831
Isophthalic acid 0.3714 NA 0.4494 NA 2.1092 NA 1.2145 NA 1.2836 NA 1.5573 NA 0.5868 NA 0.4278 NA
Isopropalin NA 5.4617 NA 0.0148 NA 0.0148 NA 0.0212 NA 0.0245 NA 1.0320 NA 0.2226 NA 1.2084
Isopyrazam 1.9780 9.3029 0.0374 0.0208 0.0255 0.0125 0.0100 0.0115 0.0098 0.0157 0.0518 0.8998 0.0248 0.3681 0.3951 2.8362
Isorhamnetin NA 0.0830 NA 2.5518 NA 2.5002 NA 0.5086 NA 0.5192 NA 0.3755 NA 0.3330 NA 1.1285
Isorhamnetin 3- (6"-malonylglucoside) 2.4542 0.1266 0.0039 2.3572 0.0072 3.7076 0.0060 1.5872 0.0064 1.4649 0.0342 1.4455 0.2967 0.2734 0.5759 1.6533
Isoscutellarein 4^-methyl ether 8- (2"-sulfatoglucoside) 0.2210 NA 0.1335 NA 0.5766 NA 1.6311 NA 1.1063 NA 3.2910 NA 0.1857 NA 0.8549 NA
Isoscutellarein 7- (6"^-acetylallosyl- (1->2) -glucoside) 0.2837 0.1078 2.6838 1.1449 3.3094 2.6884 0.5923 0.3879 0.7289 0.3351 0.5285 0.2232 0.6240 0.0601 1.5942 0.7075
Jasmonic acid 1.6557 NA 0.1242 NA 0.0967 NA 0.0909 NA 0.0944 NA 0.1397 NA 5.2365 NA 0.5619 NA
Jervine 6.3535 NA 0.0895 NA 0.0907 NA 0.0754 NA 0.0732 NA 0.0735 NA 0.1020 NA 1.1423 NA
Kaempferide 3-rhamnoside-7- (6"-succinylglucoside) 1.7443 NA 2.5206 NA 0.8612 NA 0.2978 NA 0.2420 NA 0.2249 NA 1.0551 NA 1.0541 NA
Kaempferol NA 3.4281 NA 0.8699 NA 0.2208 NA 0.0649 NA 0.0562 NA 0.4759 NA 1.4669 NA 1.4173
Kaempferol 3- [ 2"^,3"^,5"^-triacetyl-alpha-L-arabinofuranosyl- (1->6) -glucoside 0.9994 NA 4.9931 NA 0.5975 NA 0.0221 NA 0.0206 NA 0.0772 NA 0.2338 NA 1.0563 NA
Kaempferol 3- (2"^- (E) -caffeoylglucosyl) - (1->2) -glucoside-7-cellobioside 0.3265 NA 3.2289 NA 2.3584 NA 0.2347 NA 0.2060 NA 0.2866 NA 0.3181 NA 1.0408 NA
Kaempferol 3- [ 2"^- (E) -ferulylsophoroside ] -7-glucoside 3.1994 NA 1.2288 NA 0.1876 NA 0.0479 NA 0.0493 NA 0.5462 NA 1.1112 NA 1.6296 NA
Kaempferol 4^-methyl ether 3- (2Glc-glucosylrutinoside) 0.1503 NA 0.3218 NA 3.6068 NA 0.7597 NA 1.0780 NA 0.7678 NA 0.1265 NA 1.1891 NA
Kanzonol B NA 0.0936 NA 0.1425 NA 4.1443 NA 1.2759 NA 0.6140 NA 0.5389 NA 0.1461 NA 1.0447
Kaurane NA 0.0511 NA 0.9831 NA 1.3054 NA 2.7083 NA 1.6286 NA 0.1382 NA 0.0720 NA 1.1133
Kukoamine A NA 2.6308 NA 0.0032 NA 0.8463 NA 1.5008 NA 1.1876 NA 0.6244 NA 0.0042 NA 1.2027
Kukoamine B 1.4725 NA 0.0031 NA 1.1657 NA 2.2613 NA 1.5567 NA 0.5045 NA 0.0057 NA 1.0305 NA
L-5-Hydroxytryptophan NA 1.8322 NA 0.4650 NA 1.7522 NA 0.7850 NA 1.1412 NA 0.6069 NA 0.2890 NA 1.1286
Labdanolic acid 2.4955 NA 0.1627 NA 0.1662 NA 0.1521 NA 0.1648 NA 0.1833 NA 4.0794 NA 0.5962 NA
Lacidipine 0.0625 0.0981 0.0720 0.1071 0.0728 0.1400 0.8512 0.4301 1.9244 1.1494 5.9636 2.9386 0.0651 0.1254 1.2798 0.7201
Lacosamide 7.1530 0.0225 2.6125 0.0002 0.9375 0.0034 0.2180 0.0021 0.1707 0.0025 0.1251 0.0015 1.9435 0.0004 2.7989 0.0080
Lactamide NA 1.6312 NA 0.4764 NA 1.2546 NA 0.8785 NA 0.9449 NA 0.9967 NA 0.7855 NA 1.0323
L-Alanyl-L-proline NA 2.3490 NA 0.7497 NA 0.5983 NA 0.5346 NA 0.6323 NA 1.1153 NA 0.9327 NA 1.0882
Lasalocid NA 3.0296 NA 0.0870 NA 0.0860 NA 0.0803 NA 0.0796 NA 0.0906 NA 3.9754 NA 0.5715
L-Aspartic acid 0.7182 0.2175 1.5956 0.5997 1.9420 0.5220 2.1829 0.5913 1.9957 0.2721 1.4448 0.4978 1.2261 0.5134 1.4457 0.2353
Lauric isopropanolamide NA 0.0367 NA 0.0543 NA 1.4075 NA 1.6050 NA 1.6020 NA 2.2100 NA 0.0306 NA 1.0539
Laurolactam NA 0.0294 NA 0.3786 NA 1.5394 NA 1.3662 NA 1.4479 NA 2.0721 NA 0.0436 NA 1.1227
L-beta-homolysine-2HCl NA 1.0705 NA 0.0207 NA 0.0204 NA 0.1221 NA 0.3152 NA 5.2971 NA 0.0319 NA 1.1222
L-(+)-Citrulline NA 0.3990 NA 1.4055 NA 1.2635 NA 0.8822 NA 0.6668 NA 0.1672 NA 2.3808 NA 0.8349
L-Citrulline 0.4323 NA 1.2264 NA 1.2663 NA 1.0199 NA 0.7225 NA 0.1976 NA 2.3366 NA 0.7983 NA
L-Cysteine NA 0.7900 NA 0.4745 NA 0.2582 NA 0.8801 NA 3.2696 NA 1.0939 NA 0.3707 NA 0.8630
L-Cystine NA 0.0962 NA 2.2589 NA 1.9613 NA 0.9092 NA 1.0536 NA 0.7592 NA 0.1304 NA 0.8313
L-Dopa 2.3909 NA 0.1867 NA 0.3741 NA 0.3889 NA 0.8738 NA 2.3436 NA 0.3431 NA 1.0988 NA
Lenacil 0.6090 NA 2.7914 NA 1.5811 NA 0.3337 NA 0.3100 NA 0.2955 NA 1.1222 NA 0.9570 NA
Leptosidin 6-glucosyl- (1->4) -rhamnoside 0.0446 NA 1.6854 NA 3.8928 NA 0.4534 NA 0.4319 NA 0.3156 NA 0.2362 NA 0.9401 NA
Leptosidin 6-xylosyl- (1->4) -arabinoside 3.7578 NA 1.1434 NA 0.3135 NA 0.0991 NA 0.1082 NA 0.1034 NA 1.6062 NA 0.8684 NA
Leptosin 0.2029 NA 1.2067 NA 0.9536 NA 0.7729 NA 1.7842 NA 1.5382 NA 0.6328 NA 0.9087 NA
Lespedezaflavanone F 5.1930 NA 0.0859 NA 0.0446 NA 0.0389 NA 0.0345 NA 0.1893 NA 1.7490 NA 0.6648 NA
Lethedioside B 0.0034 NA 0.2796 NA 2.1359 NA 2.4367 NA 1.3617 NA 1.2189 NA 0.0023 NA 0.5614 NA
Leucine methyl ester NA 0.2861 NA 0.7485 NA 0.7232 NA 0.9829 NA 1.7882 NA 1.8904 NA 0.6759 NA 0.9047
Leucodelphinidin 3-O- (beta-D-glucopyranosyl- (1->4) -alpha-L-rhamnopyranoside) NA 1.6481 NA 0.1036 NA 0.4189 NA 1.2632 NA 1.6488 NA 1.4495 NA 0.1931 NA 1.2747
Leucylalanine NA 4.8488 NA 0.0171 NA 0.0246 NA 0.0416 NA 0.1308 NA 1.4576 NA 0.1662 NA 1.3133
Leucylleucine NA 4.8499 NA 0.0178 NA 0.0247 NA 0.0348 NA 0.1005 NA 1.4687 NA 0.1807 NA 1.3230
Leucylproline 0.6882 9.2356 0.0046 0.0391 0.0023 0.0345 0.0025 0.0238 0.0021 0.0253 0.1646 2.4425 0.0291 0.1506 0.3047 2.8502
Leucylvaline NA 4.8358 NA 0.0125 NA 0.0163 NA 0.0190 NA 0.0475 NA 1.4920 NA 0.1272 NA 1.4497
Leu-Gly-Gly 2.2818 7.3567 0.0056 0.0283 0.0043 0.0185 0.0069 0.0210 0.0154 0.0719 0.6269 2.2291 0.0767 0.6640 0.6778 1.9150
Levallorphan NA 0.1280 NA 0.0982 NA 2.3687 NA 2.7066 NA 0.9182 NA 0.6594 NA 0.0621 NA 1.0588
Levorphanol NA 0.3514 NA 0.1802 NA 0.1885 NA 0.1422 NA 1.1071 NA 4.8747 NA 0.2977 NA 0.8582
L-Glutamic acid 0.2819 NA 1.4301 NA 1.7262 NA 1.5491 NA 1.2820 NA 0.0688 NA 0.7982 NA 0.8637 NA
L-Glutamine NA 0.3046 NA 0.7502 NA 1.5414 NA 1.3927 NA 1.7295 NA 1.0371 NA 0.4994 NA 0.7452
L-Glutamyl-L-glutamic acid NA 2.7754 NA 0.1670 NA 0.2371 NA 0.0936 NA 0.1066 NA 2.6269 NA 0.4760 NA 1.5174
L-Glutathione oxidized 0.9111 0.6797 2.7868 1.4768 2.1300 1.0632 0.8366 0.3280 0.4648 0.1563 0.5311 0.2507 1.6815 0.8324 1.2832 0.5877
L-Glutathione (reduced) 0.0057 0.0067 0.0131 0.0350 0.4659 1.7509 1.1944 5.8696 0.8411 4.0808 0.0344 0.2252 0.0124 0.0230 0.2817 1.1600
L-Histidine 1.9873 0.4806 0.2752 0.5497 0.5100 0.8720 0.7587 1.3458 0.9836 1.9976 1.2685 2.5280 0.2024 0.2291 0.7933 1.2182
Linderoflavone A 0.4924 NA 0.4408 NA 0.5616 NA 2.0280 NA 2.0170 NA 1.2635 NA 0.5827 NA 0.6139 NA
Linoleic acid 5.0579 NA 0.1066 NA 0.1202 NA 0.0469 NA 0.0274 NA 0.5771 NA 1.1253 NA 0.9386 NA
Linoleic Acid 2.4031 NA 0.1144 NA 0.0672 NA 0.0630 NA 0.0683 NA 3.1222 NA 1.1785 NA 0.9833 NA
Linolenic acid NA 3.9200 NA 0.1676 NA 0.4867 NA 0.3145 NA 0.3590 NA 0.7712 NA 0.8595 NA 1.1214
?-Linolenic Acid 1.6603 NA 1.3310 NA 0.4884 NA 0.4855 NA 0.2189 NA 2.1333 NA 0.6371 NA 1.0455 NA
Linolenic acid ethyl ester NA 1.1973 NA 0.8568 NA 1.4479 NA 1.0411 NA 1.1908 NA 1.1474 NA 0.0714 NA 1.0473
Linoleoyl ethanolamide NA 4.1039 NA 0.1675 NA 0.0829 NA 0.1446 NA 0.1405 NA 2.0119 NA 0.2754 NA 1.0734
Lithosprmoside 1.8426 NA 0.7752 NA 0.2648 NA 0.0850 NA 0.1116 NA 0.0953 NA 4.0392 NA 0.7862 NA
L-Kynurenine NA 0.9191 NA 0.5988 NA 1.1127 NA 1.2655 NA 1.7058 NA 1.0919 NA 0.4107 NA 0.8955
L(+)-Leucinol L- NA 0.0367 NA 0.1810 NA 2.3997 NA 1.4726 NA 1.5201 NA 1.3759 NA 0.0123 NA 1.0015
LLK NA 6.2018 NA 0.0627 NA 0.0565 NA 0.0400 NA 0.0736 NA 0.2950 NA 0.1132 NA 1.1572
L-Methionine sulfoxide NA 1.7775 NA 0.7093 NA 0.6209 NA 0.7910 NA 1.1001 NA 0.9568 NA 0.6500 NA 1.3944
Lonchocarpenin 0.6152 NA 1.2251 NA 1.8349 NA 0.2023 NA 1.1407 NA 0.1686 NA 1.8362 NA 0.9770 NA
Lophirone E 0.4063 NA 0.1922 NA 1.8878 NA 0.3736 NA 0.1710 NA 0.3897 NA 0.1857 NA 4.3935 NA
LPC 18:1 NA 0.4084 NA 0.7119 NA 0.2397 NA 0.1608 NA 0.2174 NA 0.0817 NA 5.5950 NA 0.5852
LPC 18:2 NA 0.5407 NA 0.9830 NA 0.4946 NA 0.2514 NA 0.2315 NA 0.1018 NA 4.7012 NA 0.6958
LPC 18:3 NA 0.6529 NA 0.6435 NA 0.4282 NA 0.1753 NA 0.2696 NA 0.0060 NA 5.2169 NA 0.6075
LPE 16:0 2.0910 NA 1.3414 NA 0.9982 NA 0.5247 NA 0.3928 NA 0.5229 NA 1.1035 NA 1.0255 NA
LPE 18:1 0.3763 NA 2.3092 NA 1.3874 NA 0.8766 NA 0.6256 NA 0.2634 NA 1.0449 NA 1.1166 NA
L-Phenylalanine 0.1127 4.9430 0.0051 0.3807 0.0096 0.6736 0.0094 0.6637 0.0297 1.8532 0.0759 3.9693 0.0092 0.6592 0.0424 2.5631
L-Pyroglutamic acid NA 0.2115 NA 0.8226 NA 1.4981 NA 1.3742 NA 1.6711 NA 1.1811 NA 0.5053 NA 0.7360
L-Serine 0.8068 0.8141 0.2453 0.4579 0.5679 1.3136 1.2860 2.2779 1.0596 2.1769 0.8600 1.5022 0.3543 0.3073 0.6448 1.3253
L-Threonic acid 0.7476 NA 0.8002 NA 0.9470 NA 0.8082 NA 0.5441 NA 0.4418 NA 3.0373 NA 0.6737 NA
L-Tyrosine 0.1999 6.6171 0.0157 0.5103 0.0435 1.2780 0.0223 0.5968 0.0414 1.2066 0.0824 2.4473 0.0147 0.5300 0.0756 2.3185
L-Tyrosine methyl ester NA 0.5616 NA 0.6602 NA 0.7408 NA 0.8602 NA 1.5788 NA 1.9321 NA 0.8459 NA 0.8205
Lupeol NA 0.2856 NA 1.6810 NA 1.5660 NA 1.0344 NA 0.8048 NA 1.2136 NA 0.3035 NA 1.1111
Lusianin 0.2267 NA 0.8011 NA 3.5489 NA 1.0155 NA 0.6922 NA 0.5357 NA 0.2164 NA 0.9635 NA
Luteolin 7.6588 5.4329 0.0115 0.0160 0.0124 0.0139 0.0077 0.0095 0.0075 0.0105 0.0201 0.0202 0.0518 0.0991 1.1063 1.5217
Luteolin 7- (6"-malonylneohesperidoside) 0.5171 0.9095 1.0831 1.8508 0.6931 1.4001 0.4927 1.3274 0.3011 0.9672 0.2433 0.7508 1.4363 2.2750 0.5097 1.2427
Macrophyllol A (flavone) 0.0444 NA 1.6193 NA 1.4571 NA 0.4709 NA 0.5030 NA 0.1296 NA 2.6785 NA 1.0973 NA
Maleic acid 0.2853 NA 0.2854 NA 2.1667 NA 1.7276 NA 0.9511 NA 1.2470 NA 0.3678 NA 0.9692 NA
Maleic Hydrazide 1.6894 NA 1.0613 NA 0.6920 NA 0.1780 NA 0.1826 NA 0.5043 NA 2.8284 NA 0.8640 NA
Marbofloxacine 0.0669 NA 5.0883 NA 0.0616 NA 0.6806 NA 0.0837 NA 0.3181 NA 0.6463 NA 1.0546 NA
Maritimetin 6- (6"-acetylglucoside) 2.5265 NA 1.8747 NA 0.6923 NA 0.0429 NA 0.0207 NA 0.0199 NA 1.9784 NA 0.8446 NA
Maritimetin 6- (6"-p-coumarylglucoside) 1.3547 0.2752 1.5706 0.3657 1.0817 0.2562 1.6939 0.4011 1.4186 0.3187 1.4349 0.3067 3.1156 0.7000 1.4002 0.3063
Matterionate A NA 0.9721 NA 1.1421 NA 1.1681 NA 0.6615 NA 0.7608 NA 0.5643 NA 1.8090 NA 0.9221
MDPV NA 0.0026 NA 0.3544 NA 2.4641 NA 1.1286 NA 1.2219 NA 1.7158 NA 0.0082 NA 1.1044
Mebutamate 2.0947 8.0551 0.0048 0.0175 0.0095 0.0166 0.0157 0.0263 0.0526 0.0918 0.8407 1.9864 0.0368 0.1067 0.6193 2.0254
Meconin NA 0.9834 NA 0.0739 NA 0.1983 NA 1.5520 NA 1.7420 NA 2.2763 NA 0.2050 NA 0.9691
Mefloquine 0.8965 NA 0.5618 NA 1.1139 NA 1.2658 NA 1.3877 NA 1.4045 NA 0.3915 NA 0.9782 NA
Melafolone NA 1.4871 NA 0.9622 NA 0.8628 NA 0.4070 NA 0.5575 NA 0.5077 NA 2.2269 NA 0.9888
Meperidine-d5 NA 1.5864 NA 1.3962 NA 0.9902 NA 0.1323 NA 0.1693 NA 0.1445 NA 2.1902 NA 1.3909
Meprobamate 3.2275 5.3579 0.0107 0.0809 0.0127 0.0847 0.0066 0.0880 0.0174 0.2075 1.0102 2.5806 0.3117 0.2686 0.9615 1.7736
Mesaconic acid 1.0872 NA 0.5454 NA 0.6099 NA 0.6620 NA 0.7759 NA 3.0530 NA 0.5540 NA 0.7126 NA
Mescaline NA 5.2337 NA 0.1056 NA 0.0969 NA 0.0984 NA 0.0913 NA 1.0676 NA 0.1100 NA 1.1965
Mesterolone NA 0.4192 NA 1.5380 NA 1.3209 NA 2.2493 NA 0.3138 NA 0.3914 NA 0.7809 NA 0.9866
Metalaxyl NA 4.3518 NA 0.0592 NA 0.1328 NA 0.4597 NA 0.8230 NA 0.7303 NA 0.0869 NA 1.3562
Metanephrine NA 3.0065 NA 0.7964 NA 0.5138 NA 0.2003 NA 0.3299 NA 1.0093 NA 0.7042 NA 1.4396
Metazachlor NA 0.4391 NA 0.4443 NA 2.2447 NA 1.2662 NA 1.1839 NA 0.8574 NA 0.2723 NA 1.2922
Metconazole NA 0.3200 NA 0.1295 NA 0.1487 NA 0.1845 NA 0.2091 NA 6.1457 NA 0.1945 NA 0.6681
Methacrylamide NA 2.1887 NA 0.3833 NA 0.5926 NA 0.5826 NA 0.4669 NA 1.6221 NA 1.2900 NA 0.8738
Methanandamide NA 1.0430 NA 0.4679 NA 0.1792 NA 1.1077 NA 1.1088 NA 1.1496 NA 2.2604 NA 0.6834
Methiocarb-sulfone NA 0.1075 NA 0.0818 NA 0.8108 NA 1.0054 NA 2.9876 NA 2.0566 NA 0.0569 NA 0.8935
Methionine NA 3.0561 NA 0.1886 NA 0.2787 NA 0.5033 NA 1.2225 NA 1.3343 NA 0.2153 NA 1.2013
Methionine methyl ester NA 0.3806 NA 0.9379 NA 0.7577 NA 0.7269 NA 1.1600 NA 1.7340 NA 1.4116 NA 0.8913
Methohexital NA 4.5638 NA 0.0247 NA 0.0126 NA 0.0093 NA 0.0087 NA 1.9648 NA 0.0255 NA 1.3907
methyl 2-[4-ethenyl-2,6-dihydroxy-3-(3-hydroxyprop-1-en-2-yl)-4-methylcyclohexyl]prop-2-enoate NA 1.5508 NA 0.5966 NA 1.1245 NA 0.9834 NA 0.9048 NA 0.8659 NA 1.0412 NA 0.9327
Methyl 4-{5-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]-2-furyl}-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate 0.5073 NA 0.0520 NA 0.5561 NA 1.2168 NA 1.8874 NA 2.4799 NA 0.2487 NA 1.0519 NA
Methyl 4-hydroxy-3-methoxycinnamate NA 0.8312 NA 1.5236 NA 1.2749 NA 0.5929 NA 0.6410 NA 0.6456 NA 1.4588 NA 1.0320
Methyl 4-hydroxycinnamate 4- NA 0.0871 NA 0.3506 NA 2.2758 NA 1.2338 NA 1.3288 NA 1.6559 NA 0.0604 NA 1.0076
Methyl cinnamate NA 0.0382 NA 0.0794 NA 2.0993 NA 2.1151 NA 1.4746 NA 1.2118 NA 0.0347 NA 0.9469
Methyllinderatin NA 1.2405 NA 0.1351 NA 1.2943 NA 1.1161 NA 1.2697 NA 1.4607 NA 0.3549 NA 1.1287
Methylmalonic acid 1.3722 NA 1.7344 NA 0.6436 NA 0.5275 NA 0.7238 NA 0.4417 NA 1.5548 NA 1.0021 NA
Methylphenidate 5.8399 NA 0.0892 NA 0.0965 NA 0.0928 NA 0.0944 NA 0.1227 NA 0.7798 NA 0.8847 NA
Metominostrobin, E- NA 1.6083 NA 0.5210 NA 0.1666 NA 0.9396 NA 0.9184 NA 1.4890 NA 1.1593 NA 1.1979
Metoprolol NA 0.9101 NA 0.8851 NA 0.0730 NA 0.0244 NA 0.0334 NA 0.0464 NA 5.4030 NA 0.6246
Mevalonic acid 0.9185 NA 1.8209 NA 0.8374 NA 0.5127 NA 0.6255 NA 0.5139 NA 1.6229 NA 1.1483 NA
Mexacarbate NA 3.1672 NA 0.5538 NA 0.1426 NA 0.5386 NA 0.6178 NA 0.3057 NA 1.6439 NA 1.0304
MGMG 18:3 2.8020 NA 0.3717 NA 0.1366 NA 0.7243 NA 0.6453 NA 1.3183 NA 0.9741 NA 1.0276 NA
Milbemectin A4 0.0576 0.1201 0.0789 0.1346 4.5343 3.4278 0.8572 0.5335 0.9552 0.7181 1.6635 1.2564 0.0652 0.1222 0.7847 0.6906
Minaprine 0.4208 8.3091 0.0304 0.5570 0.0230 0.1535 0.0195 0.1245 0.0201 0.1315 0.0346 0.1737 0.1508 4.1097 0.1149 1.6269
Mometasone Furoate NA 0.0911 NA 1.1765 NA 1.4022 NA 1.0575 NA 1.0860 NA 0.9073 NA 1.1156 NA 1.1638
Mono(2-ethylhexyl) phthalate (MEHP) NA 0.6879 NA 1.2256 NA 0.4192 NA 0.7861 NA 0.5730 NA 1.4323 NA 1.8999 NA 0.9761
Monobutyl phthalate 4.9386 NA 0.2154 NA 0.2855 NA 0.2326 NA 0.3198 NA 0.3946 NA 0.5615 NA 1.0520 NA
Monoolein NA 1.5890 NA 1.9323 NA 0.3797 NA 0.2323 NA 0.2490 NA 0.7273 NA 2.0735 NA 0.8169
Mucic acid 0.1155 NA 1.0953 NA 1.2393 NA 1.2074 NA 1.2701 NA 1.7203 NA 0.5995 NA 0.7526 NA
Muscanone NA 0.1169 NA 1.9354 NA 1.1929 NA 0.6781 NA 0.3468 NA 0.1120 NA 2.6586 NA 0.9593
Myricitrin 0.1354 NA 0.2365 NA 2.9496 NA 1.0712 NA 0.9629 NA 1.3203 NA 0.1202 NA 1.2039 NA
Myristyl sulfate 0.7013 NA 0.8737 NA 2.2864 NA 0.5828 NA 0.6136 NA 0.6024 NA 1.1701 NA 1.1697 NA
N1-(2-{2-[2-(acetylamino)phenoxy]ethoxy}phenyl)acetamide NA 4.9983 NA 0.0118 NA 0.0143 NA 0.0159 NA 0.0241 NA 1.4304 NA 0.2431 NA 1.2621
N-(1,3-benzodioxol-5-ylmethyl)-3-(tert-butyl)-1-methyl-1H-pyrazole-5-carboxamide 1.5020 NA 1.7397 NA 0.0526 NA 0.0451 NA 0.0533 NA 0.0609 NA 3.8436 NA 0.7028 NA
N1-[4-(3-pyrazin-2-yl-4,5-dihydro-1H-1,2,4-triazol-5-yl)phenyl]acetamide 1.4531 NA 2.4175 NA 0.3983 NA 0.0798 NA 0.1056 NA 0.1080 NA 1.1520 NA 2.2858 NA
N-[(1R,9S)-11-(1-Acetyl-4-piperidinyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-3-yl]-2-furamide 6.3558 NA 0.0344 NA 0.0337 NA 0.0403 NA 0.0495 NA 0.0701 NA 0.0374 NA 1.3788 NA
N^2-{2-[(4-Chlorophenyl)thio]ethanimidoyl}-1-methyl-1H-pyrrole-2-carbohydrazide NA 0.5381 NA 0.6710 NA 0.9776 NA 0.8667 NA 1.2239 NA 2.1455 NA 0.8184 NA 0.7588
N^2-[3-(trifluoromethyl)benzoyl]-5-(trifluoromethyl)pyridine-2-carbohydrazonamide 0.5502 NA 1.5689 NA 2.0284 NA 0.9087 NA 0.5270 NA 0.4908 NA 0.9618 NA 0.9641 NA
N2-Methylguanosine 2.9292 NA 0.3727 NA 0.5740 NA 0.5162 NA 0.4837 NA 0.3375 NA 1.7152 NA 1.0713 NA
N-{[(2R,4S,5R)-5-(3-Cyclopentyl-1-methyl-1H-pyrazol-5-yl)-1-azabicyclo[2.2.2]oct-2-yl]methyl}-4-methoxybenzamide 0.6790 NA 0.0427 NA 0.0591 NA 0.0554 NA 0.0554 NA 0.3982 NA 6.0655 NA 0.6447 NA
N^3-(2,2-dimethylpropylidene)-1-(4-isopropylphenyl)-5-methyl-1H-pyrazole-3-carbohydrazide 5.4254 NA 0.0884 NA 0.0808 NA 0.0384 NA 0.0408 NA 0.4778 NA 0.6633 NA 1.1850 NA
N-[3-(2-methyl-4-pyrimidinyl)phenyl]-1,3-benzothiazole-2-carboxamide NA 0.2647 NA 0.2450 NA 0.2796 NA 1.0114 NA 3.5321 NA 2.1117 NA 0.2904 NA 0.2650
N3,N4-Dimethyl-L-arginine NA 1.1552 NA 0.4069 NA 0.6099 NA 1.0748 NA 1.3666 NA 1.5374 NA 0.7080 NA 1.1412
N-[3-(tert-butyl)-1-methyl-1H-pyrazol-5-yl]-N^-[4-(trifluoromethoxy)phenyl]urea NA 0.6434 NA 0.5250 NA 0.8067 NA 2.3837 NA 0.9338 NA 1.7876 NA 0.3993 NA 0.5204
N^-{6-[(5-chloro-3-pyridyl)oxy]-3-pyridyl}-N,N-dimethyliminoformamide NA 4.5403 NA 0.0667 NA 0.0493 NA 0.0357 NA 0.0532 NA 1.4942 NA 0.3035 NA 1.4569
N6-Me-Adenosine NA 2.9880 NA 0.0137 NA 0.0128 NA 0.0108 NA 0.0137 NA 0.3151 NA 2.7722 NA 1.8738
N6,N6,N6-Trimethyl-L-lysine NA 0.8437 NA 0.9101 NA 1.0338 NA 1.0188 NA 1.1282 NA 1.1880 NA 0.8196 NA 1.0577
N6-Threonylcarbamoyladenosine NA 0.7491 NA 0.4955 NA 0.8694 NA 1.3542 NA 1.3630 NA 1.5550 NA 0.6670 NA 0.9467
N-(9-oxodecyl)acetamide NA 0.2002 NA 3.0745 NA 0.0755 NA 0.0564 NA 0.0586 NA 0.0641 NA 4.0219 NA 0.4487
N-Acetylalanine 1.2628 NA 1.0217 NA 1.4592 NA 0.9869 NA 0.9599 NA 0.6944 NA 0.7553 NA 0.8598 NA
N-Acetyl-D-alloisoleucine 3.6017 NA 0.8155 NA 0.8119 NA 0.3004 NA 0.3001 NA 0.4861 NA 0.4647 NA 1.2197 NA
N-Acetyl-DL-glutamic acid 0.8465 NA 1.9707 NA 0.4551 NA 0.4605 NA 0.1122 NA 0.1900 NA 3.1681 NA 0.7969 NA
N-Acetyl-DL-norvaline 2.1246 NA 0.6901 NA 0.6660 NA 0.8524 NA 0.8357 NA 0.7736 NA 1.0212 NA 1.0364 NA
N-Acetylserotonin NA 0.4900 NA 1.0390 NA 0.8154 NA 0.9342 NA 1.4671 NA 1.3056 NA 1.0735 NA 0.8751
N-Acetylsphingosine 4.2953 NA 0.4079 NA 0.4593 NA 0.3948 NA 0.3923 NA 0.4147 NA 0.9653 NA 0.6704 NA
Nadolol 0.0187 0.1399 0.0184 0.2255 0.2058 5.6383 0.0718 2.1038 0.0520 1.7948 0.1099 3.3799 0.0155 0.1752 0.0504 2.0000
Nafronyl Oxalate 0.0103 0.0359 0.0118 0.0736 0.0067 3.6135 0.0527 2.8168 0.0272 3.2431 0.0301 3.6431 0.0707 0.2058 0.0208 2.1379
Narasin NA 0.0407 NA 0.6808 NA 1.1692 NA 1.4359 NA 2.8846 NA 0.5143 NA 0.2289 NA 1.0458
Narcissoside 0.4129 NA 0.5182 NA 1.4760 NA 1.0656 NA 1.2800 NA 1.9706 NA 0.3293 NA 0.9474 NA
Naringenin 2.5214 6.1418 0.0069 0.0212 0.0373 0.1330 0.0713 0.1293 0.8775 1.4870 0.9643 1.3207 0.0072 0.0151 0.5636 1.7023
Nateglinide 0.0854 NA 0.1792 NA 2.0597 NA 1.3085 NA 1.4142 NA 1.7547 NA 0.0710 NA 1.1274 NA
N-benzyl-N-isopropyl-N^-[4-(trifluoromethoxy)phenyl]urea 4.6187 NA 0.0419 NA 0.0595 NA 0.0418 NA 0.0680 NA 1.6241 NA 0.1592 NA 1.3868 NA
NCGC00169371-02!(E)-N-[2-hydroxy-2-(4-hydroxyphenyl)ethyl]-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamide NA 0.9011 NA 0.0336 NA 0.9533 NA 1.2895 NA 1.2537 NA 2.4819 NA 0.0523 NA 1.0347
NCGC00169550-02!(E)-3-(4-hydroxy-3-methoxyphenyl)-N-[2-(4-hydroxyphenyl)ethyl]prop-2-enamide [IIN-based: Match] NA 4.2627 NA 0.0680 NA 1.1366 NA 0.4191 NA 0.3035 NA 0.3659 NA 0.2121 NA 1.2322
NCGC00180410-02!3-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R,5R,6S)-3-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-6-methyloxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one NA 0.3526 NA 2.4905 NA 2.5053 NA 0.4600 NA 0.4144 NA 0.4712 NA 0.3518 NA 0.9542
NCGC00186665-03!2,3-dihydroxypropyl hexadecanoate NA 1.2354 NA 2.8191 NA 1.2132 NA 0.0684 NA 0.0637 NA 0.8984 NA 0.6121 NA 1.0898
NCGC00347859-02!2,3-dihydroxypropyl 13-methyltetradecanoate NA 0.0693 NA 4.0030 NA 2.0690 NA 0.3510 NA 0.1217 NA 0.2137 NA 0.0256 NA 1.1467
NCGC00380464-01!3-[(2S,3R,4S,5R,6S)-3,4-dihydroxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5-hydroxy-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one 1.2748 NA 0.1237 NA 0.1908 NA 1.5568 NA 1.6059 NA 2.1169 NA 0.1199 NA 1.0112 NA
NCGC00380823-01!2-(14-methylpentadecanoylamino)-3-phenylpropanoic acid [IIN-based: Match] NA 2.1932 NA 0.1665 NA 1.9485 NA 0.4289 NA 0.4778 NA 2.0200 NA 0.1713 NA 0.5939
NCGC00385377-01_C19H32O7_4-(2,6,6-Trimethyl-4-oxo-2-cyclohexen-1-yl)-2-butanyl beta-D-glucopyranoside NA 1.1282 NA 0.3736 NA 0.5720 NA 1.3044 NA 1.0054 NA 2.3505 NA 0.3064 NA 0.9595
NCGC00385414-01!3-[(2S,3R,4S,5R,6R)-4-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one 4.8344 NA 0.2379 NA 0.0786 NA 0.0676 NA 0.0532 NA 0.1833 NA 0.9296 NA 1.6155 NA
NCGC00385836-01!3-[[(2R,3S,4S,5R,6S)-6-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-3-oxopropanoic acid 0.1179 NA 1.6870 NA 2.6417 NA 0.8453 NA 0.7527 NA 0.6737 NA 0.2204 NA 1.0613 NA
NCGC00385950-01_C16H26O7_(2,6,6-Trimethyl-4-oxo-2-cyclohexen-1-yl)methyl beta-D-glucopyranoside NA 0.5881 NA 0.9428 NA 0.2998 NA 0.0857 NA 0.0980 NA 0.7578 NA 4.5123 NA 0.7155
N-Desethyl acetildenafil NA 2.3712 NA 0.8758 NA 1.0067 NA 0.8027 NA 0.5252 NA 1.1112 NA 0.0772 NA 1.2301
N-Desmethylvenlafaxine NA 0.0122 NA 0.1546 NA 1.4992 NA 1.4273 NA 1.2967 NA 2.5172 NA 0.0142 NA 1.0786
Neochlorogenic acid 0.6081 NA 0.3854 NA 0.9587 NA 1.3145 NA 1.4851 NA 1.7265 NA 0.5533 NA 0.9685 NA
Neosolaniol 0.0019 0.8946 0.0011 3.1432 0.0006 1.3142 0.0007 0.9285 0.0026 0.8212 0.0884 0.6765 0.0013 6.4735 0.0145 1.6370
N-Feruloyloctopamine 3.4177 NA 0.8014 NA 0.2741 NA 0.1931 NA 0.1948 NA 1.0811 NA 1.1229 NA 0.9149 NA
N-Formylmethionine 5.3118 NA 0.0896 NA 0.0441 NA 0.0713 NA 0.0340 NA 0.7762 NA 0.2554 NA 1.4174 NA
N-Fructosyl isoleucine 0.4821 2.7519 0.0360 0.5564 0.0626 0.9494 0.0322 1.0319 0.0547 1.4887 0.8083 5.2256 0.0393 0.2976 0.2527 1.9304
N^-hydroxy-3-[3-(trifluoromethyl)phenoxy]pyrazine-2-carboximidamide NA 0.2956 NA 0.8370 NA 2.2956 NA 1.4228 NA 1.5883 NA 0.7886 NA 0.2633 NA 0.5088
Nicotinamide adenine dinucleotide (NAD+) NA 0.0712 NA 1.9112 NA 0.9041 NA 1.1655 NA 1.6623 NA 0.0714 NA 1.3717 NA 0.8427
Nicotinic acid NA 2.1139 NA 0.4325 NA 0.4165 NA 0.7460 NA 0.6158 NA 1.1026 NA 1.5629 NA 1.0099
N-Isobutyrylglycine 2.5964 NA 0.5676 NA 0.9621 NA 0.4289 NA 0.2908 NA 0.6387 NA 1.5820 NA 0.9334 NA
Nitenin 0.0660 NA 0.2018 NA 1.7542 NA 1.5733 NA 1.5753 NA 1.7359 NA 0.0638 NA 1.0297 NA
Nitrendipine 2.3201 NA 1.0401 NA 0.6616 NA 0.3914 NA 0.4531 NA 0.3427 NA 1.6595 NA 1.1314 NA
Nitrobenzene 0.5944 NA 3.6180 NA 0.3960 NA 0.4113 NA 0.4146 NA 0.4880 NA 1.7226 NA 0.3553 NA
Nivalenol 0.2425 NA 1.7469 NA 0.9664 NA 0.4016 NA 0.4698 NA 0.3286 NA 3.1332 NA 0.7109 NA
NLK NA 3.5813 NA 0.0589 NA 0.0455 NA 0.0369 NA 0.0485 NA 2.6652 NA 0.7777 NA 0.7861
N-Methylcaprolactam NA 0.1872 NA 0.7305 NA 1.4132 NA 1.0089 NA 1.4922 NA 1.6893 NA 0.6410 NA 0.8375
N-Methyldioctylamine NA 0.1090 NA 0.1700 NA 1.7378 NA 1.3177 NA 1.9717 NA 1.4674 NA 0.1035 NA 1.1228
N,N^-Dicyclohexylurea NA 0.4876 NA 1.2336 NA 0.4265 NA 1.1493 NA 0.6189 NA 1.8755 NA 1.1944 NA 1.0142
N,N-Diethyldodecanamide NA 0.0458 NA 0.1146 NA 0.2680 NA 1.4812 NA 2.3148 NA 2.6185 NA 0.1044 NA 1.0526
N,N-Dimethylsphingosine NA 0.0333 NA 0.0637 NA 0.8512 NA 1.8490 NA 2.2754 NA 1.7421 NA 0.0723 NA 1.1130
Nonivamide NA 0.0010 NA 0.2995 NA 1.5164 NA 1.4002 NA 1.4087 NA 2.2265 NA 0.0121 NA 1.1355
nor-6-xycodol NA 0.1106 NA 0.8568 NA 5.2093 NA 0.3420 NA 0.2437 NA 0.0914 NA 0.2161 NA 0.9302
Nordazepam 0.0440 NA 0.4167 NA 2.5738 NA 1.4225 NA 1.2139 NA 1.3347 NA 0.0578 NA 0.9365 NA
Nordihydrocapsaicin 0.0023 NA 0.0346 NA 1.7560 NA 1.4799 NA 1.0759 NA 2.6340 NA 0.0019 NA 1.0153 NA
Norfludiazepam NA 0.0289 NA 0.5565 NA 0.7817 NA 1.0365 NA 1.1392 NA 3.3891 NA 0.3642 NA 0.7040
Norfluoxetine 5.0471 NA 0.0109 NA 0.0109 NA 0.0092 NA 0.0120 NA 1.1277 NA 0.3281 NA 1.4540 NA
Noroxymorphone NA 0.4231 NA 1.7694 NA 0.9149 NA 0.5090 NA 0.3178 NA 0.4965 NA 2.1886 NA 1.3806
NP-000587 NA 0.7929 NA 1.1985 NA 0.9127 NA 0.8109 NA 0.4055 NA 0.2469 NA 3.0102 NA 0.6225
NP-000734 NA 1.0754 NA 1.1851 NA 0.9081 NA 0.3343 NA 0.3899 NA 1.5259 NA 1.5197 NA 1.0617
NP-000924 6.2833 NA 0.0769 NA 0.0909 NA 0.0440 NA 0.0447 NA 0.0429 NA 0.0744 NA 1.3429 NA
NP-001445 NA 5.0708 NA 0.0556 NA 0.1445 NA 0.0912 NA 0.0850 NA 1.1125 NA 0.2768 NA 1.1636
NP-001596 0.6462 NA 4.1085 NA 1.2878 NA 0.2296 NA 0.1118 NA 0.4422 NA 0.0587 NA 1.1153 NA
NP-002322 NA 4.7842 NA 0.0770 NA 0.0750 NA 0.0619 NA 0.0542 NA 0.2167 NA 2.0914 NA 0.6396
NP-002737 2.6996 NA 0.7293 NA 0.3326 NA 0.1065 NA 0.1096 NA 0.6628 NA 1.6855 NA 1.6741 NA
NP-002943 0.6281 NA 1.0732 NA 2.3618 NA 0.6655 NA 0.8055 NA 0.8208 NA 0.7007 NA 0.9444 NA
NP-004596 2.4771 NA 1.6668 NA 1.2738 NA 0.1714 NA 0.1274 NA 0.1239 NA 0.8107 NA 1.3488 NA
NP-005196 1.4818 NA 1.4653 NA 1.6677 NA 0.5873 NA 0.2775 NA 0.3782 NA 1.0850 NA 1.0573 NA
NP-005821 0.1437 0.7069 0.0157 0.3524 0.2008 0.0865 5.6380 0.0509 2.5502 0.0529 2.0136 0.0514 0.0380 2.0835 1.5386 0.4770
NP-005982 NA 0.0628 NA 0.0134 NA 0.2501 NA 2.2158 NA 3.3300 NA 1.0899 NA 0.0319 NA 1.0061
NP-006989(12) NA 1.7767 NA 0.8304 NA 1.8247 NA 0.5633 NA 0.5562 NA 0.7350 NA 0.8389 NA 0.8749
NP-008309 1.4559 NA 0.5472 NA 0.3687 NA 0.5293 NA 0.4506 NA 0.5921 NA 3.2365 NA 0.8197 NA
NP-008882 NA 4.2936 NA 0.4486 NA 0.2978 NA 0.3015 NA 0.1833 NA 0.3434 NA 1.1021 NA 1.0298
NP-008993 0.3252 NA 1.4636 NA 3.1560 NA 0.7023 NA 0.3337 NA 0.8102 NA 0.1113 NA 1.0976 NA
NP-011319 NA 0.7115 NA 1.2174 NA 1.3298 NA 0.9400 NA 0.9232 NA 1.3798 NA 0.6221 NA 0.8763
NP-011548 3.7757 0.0404 0.5449 0.0659 0.4386 0.9860 0.9915 0.5184 0.8768 0.4208 0.6616 0.6832 3.9516 0.0939 1.4167 0.5340
NP-012551 1.2619 NA 1.3874 NA 2.1944 NA 0.4109 NA 0.4051 NA 0.5359 NA 0.8639 NA 0.9405 NA
NP-013366 NA 0.2096 NA 2.6413 NA 0.9977 NA 0.3628 NA 0.5005 NA 0.3654 NA 1.8885 NA 1.0342
NP-013538 NA 0.1804 NA 1.4336 NA 1.4124 NA 0.9826 NA 1.1061 NA 0.8807 NA 1.3328 NA 0.6713
NP-014113 0.0407 NA 0.0724 NA 0.2424 NA 3.2176 NA 2.2782 NA 1.3307 NA 0.1070 NA 0.7110 NA
NP-015559 0.0150 0.0424 0.7949 2.4432 1.1586 2.6704 0.8122 1.0111 1.0361 1.4245 1.0455 1.4057 0.0188 0.0501 0.6336 1.4378
NP-016455 3.2280 6.7905 0.0042 0.0176 0.0025 0.0144 0.0034 0.0133 0.0019 0.0301 0.1817 2.3186 0.1593 0.4034 0.7783 2.0530
NP-016501 NA 5.3145 NA 0.1269 NA 0.0177 NA 0.0106 NA 0.0141 NA 0.0619 NA 1.1418 NA 1.3125
NP-016582 NA 0.0260 NA 0.0701 NA 1.4344 NA 1.4948 NA 1.8257 NA 2.0559 NA 0.0238 NA 1.0693
NP-017176 NA 0.2291 NA 1.7617 NA 1.6807 NA 1.4069 NA 0.9406 NA 0.3193 NA 0.5633 NA 1.0985
NP-019498 0.4046 0.4575 1.3374 1.1717 2.7718 2.6642 0.6233 0.7798 0.6991 0.7658 0.7739 0.8492 0.4011 0.4996 0.8394 0.9617
NP-019722 1.5610 NA 0.5647 NA 0.6940 NA 0.9972 NA 1.1540 NA 1.3193 NA 0.6675 NA 1.0423 NA
NP-019725 NA 0.1541 NA 1.8174 NA 0.9664 NA 0.5862 NA 0.4156 NA 0.1299 NA 3.0093 NA 0.9211
NP-019992 NA 1.5318 NA 0.6792 NA 0.6746 NA 0.8613 NA 0.7606 NA 0.4661 NA 2.3001 NA 0.7263
NP-020078 0.0635 NA 0.0239 NA 1.8258 NA 0.5695 NA 1.0181 NA 3.7052 NA 0.0226 NA 0.7714 NA
NP-020139 1.5950 NA 1.5988 NA 0.7285 NA 0.3729 NA 0.2719 NA 1.1244 NA 1.4079 NA 0.9007 NA
NP-020205 0.6746 NA 1.0749 NA 0.7163 NA 1.0597 NA 0.7463 NA 0.8493 NA 2.2052 NA 0.6738 NA
NP-020534 0.1104 NA 0.0982 NA 0.1057 NA 0.4397 NA 1.6687 NA 4.5738 NA 0.1126 NA 0.8910 NA
NP-020583 NA 1.6060 NA 0.9412 NA 0.6693 NA 0.3339 NA 0.2731 NA 1.1352 NA 2.0444 NA 0.9968
NP-020760 NA 2.6877 NA 0.5778 NA 0.3242 NA 0.2953 NA 0.2305 NA 0.7276 NA 1.8613 NA 1.2957
NP-021050 6.3803 NA 0.0912 NA 0.1331 NA 0.1033 NA 0.1199 NA 0.1323 NA 0.0988 NA 0.9411 NA
NP-021116 0.4936 NA 0.7760 NA 4.2195 NA 0.6679 NA 0.5001 NA 0.1528 NA 0.1648 NA 1.0252 NA
NP-021292 NA 4.5069 NA 0.6493 NA 0.4402 NA 0.4541 NA 0.2906 NA 0.2152 NA 0.6029 NA 0.8406
NP-021781 NA 0.0806 NA 3.2859 NA 2.3180 NA 0.9147 NA 0.0622 NA 0.0622 NA 0.0956 NA 1.1808
NP-022068 2.3925 NA 0.9181 NA 0.8102 NA 0.4639 NA 0.5859 NA 0.6658 NA 1.1456 NA 1.0179 NA
NP-022389 0.8823 NA 2.4057 NA 0.6321 NA 0.0948 NA 0.0561 NA 0.0296 NA 3.0815 NA 0.8179 NA
NP-022405 NA 0.8715 NA 0.2196 NA 0.8719 NA 1.9586 NA 1.5754 NA 1.3854 NA 0.0160 NA 1.1017
NP-022407 2.3059 NA 0.2372 NA 1.3025 NA 1.8330 NA 0.9066 NA 0.2853 NA 0.0973 NA 1.0322 NA
NP-022531 NA 0.0952 NA 0.1412 NA 0.2181 NA 2.6327 NA 2.7607 NA 1.2801 NA 0.0786 NA 0.7935
N-(p-Coumaroyl) serotonin NA 6.4937 NA 0.0358 NA 0.0328 NA 0.0301 NA 0.0332 NA 0.0314 NA 0.0528 NA 1.2902
N-Phenylcarbamoyl 3-amino-2-[4-(trifluoromethyl)piperidino]pyridine ethanolate NA 4.6517 NA 0.1184 NA 0.2665 NA 0.3044 NA 0.2818 NA 0.2877 NA 0.3804 NA 1.7090
N-Tigloylglycine 1.8528 NA 0.9082 NA 0.6323 NA 0.4594 NA 0.5811 NA 0.6573 NA 1.9531 NA 0.9558 NA
Nuarimol NA 0.1044 NA 2.5361 NA 1.1629 NA 0.9903 NA 0.7032 NA 0.5052 NA 0.4714 NA 1.5264
Octinoxate NA 0.1953 NA 1.5593 NA 0.8749 NA 1.9780 NA 1.4892 NA 0.3197 NA 0.4855 NA 1.0981
Okanin 3^,4^-diglucoside 2.4882 0.5212 4.7485 0.9986 1.5619 0.3580 0.1875 0.0365 0.1840 0.0225 0.1631 0.0199 2.3749 0.4995 1.4727 0.3630
Okanin 4^- (4"-acetyl-6"-p-coumarylglucoside) 0.7374 NA 0.7760 NA 0.5960 NA 1.2436 NA 0.8354 NA 0.9602 NA 2.0449 NA 0.8066 NA
Okanin 4^- (6"-acetylglucoside) 3.1347 NA 2.1407 NA 0.2875 NA 0.2539 NA 0.2393 NA 0.5555 NA 0.8241 NA 0.5642 NA
Okanin 4^-alpha-L-arabinofuranosyl- (1->4) -glucoside NA 1.7983 NA 2.4492 NA 0.8597 NA 0.0907 NA 0.0833 NA 0.0694 NA 1.5784 NA 1.0710
Okanin 4-methyl ether 3^-glucoside 0.5952 NA 0.3444 NA 0.4400 NA 1.3632 NA 1.4170 NA 2.6636 NA 0.4839 NA 0.6927 NA
Okanin 4^-O- (2"-O-caffeoyl-6"-O-acetylglucoside) 1.2223 NA 0.0951 NA 1.9220 NA 1.2105 NA 0.8594 NA 1.1718 NA 0.4108 NA 1.1081 NA
Okanin 4^-O- (4",6"-di-O-acetylglucoside) 3.7855 NA 0.1604 NA 0.2307 NA 0.1886 NA 0.2098 NA 0.2451 NA 2.1735 NA 1.0064 NA
Oleamide NA 0.0137 NA 0.0379 NA 1.6536 NA 1.5445 NA 1.7676 NA 1.8217 NA 0.0335 NA 1.1276
Oleandrin 0.0188 2.0208 0.0005 2.7058 0.0005 2.7714 0.0005 1.5458 0.0004 1.4976 0.0024 1.7507 0.0018 1.5096 0.0035 2.1700
Oleanolic acid 6.9310 1.6451 0.0257 0.0361 0.2853 0.0364 1.3243 0.0298 1.2144 0.0298 2.0479 0.0412 0.0336 0.0362 2.0935 0.1897
Oleic acid alkyne 4.5801 NA 0.1055 NA 0.3481 NA 0.2198 NA 0.2484 NA 0.7056 NA 0.7482 NA 1.0443 NA
Oleoyl ethanolamide NA 1.7241 NA 0.2887 NA 0.4858 NA 0.7493 NA 0.8805 NA 2.5782 NA 0.3429 NA 0.9504
Oleoyl-L--lysophosphatidic acid 0.6996 NA 0.2881 NA 0.1810 NA 0.2879 NA 0.2836 NA 0.6136 NA 5.0023 NA 0.6438 NA
OPEO NA 0.1729 NA 2.2346 NA 3.1212 NA 0.8207 NA 0.2074 NA 0.3274 NA 0.0247 NA 1.0911
Orientin NA 1.6239 NA 1.0851 NA 1.9068 NA 0.4806 NA 0.4703 NA 0.6454 NA 0.7576 NA 1.0303
Orientin 2"-O-beta-L-arabinofuranoside NA 1.9096 NA 0.7256 NA 1.7213 NA 0.5933 NA 0.6065 NA 0.8111 NA 0.5913 NA 1.0412
Orientin 7-O-sulfate 0.1862 NA 0.1122 NA 1.5431 NA 1.4276 NA 1.5465 NA 2.0826 NA 0.0585 NA 1.0433 NA
Ortophosphate 1.4057 NA 0.8551 NA 0.9614 NA 0.7501 NA 0.8815 NA 1.2583 NA 0.8652 NA 1.0227 NA
Ouabain 1.1130 0.8007 3.8969 0.1931 2.1051 0.1888 0.8744 0.0994 0.3626 0.0281 0.2155 0.0764 3.7614 0.2398 1.7477 0.2972
Ovalitenin A 3.0370 6.4466 0.0067 0.0095 0.0063 0.0090 0.0065 0.0099 0.0098 0.0119 0.5385 3.3660 0.0429 0.2093 0.4118 1.8783
Oxadixyl 1.0678 2.5471 1.2749 2.4198 0.1243 0.2784 0.0067 0.0128 0.0067 0.0183 0.0092 0.0313 2.5835 3.9432 0.5360 1.1401
Oxatomide NA 1.3904 NA 1.2104 NA 0.7334 NA 0.6131 NA 0.7257 NA 0.6158 NA 1.6461 NA 1.0649
Oxaziclomefone 0.0204 NA 0.0196 NA 2.3145 NA 1.9277 NA 1.2621 NA 1.4630 NA 0.0081 NA 0.9844 NA
Oxitropium NA 0.1814 NA 0.8897 NA 1.2832 NA 1.4639 NA 1.6201 NA 1.3944 NA 0.2483 NA 0.9191
Oxprenolol NA 0.1114 NA 0.0850 NA 2.1419 NA 1.2890 NA 1.2292 NA 2.0618 NA 0.0824 NA 0.9992
Oxyphenonium NA 0.0385 NA 0.0366 NA 1.9207 NA 1.6262 NA 1.2087 NA 2.1038 NA 0.0566 NA 1.0090
Pachymic acid NA 0.1586 NA 1.4297 NA 1.2319 NA 1.7139 NA 1.0632 NA 0.4463 NA 0.9749 NA 0.9814
Palasitrin NA 5.1187 NA 0.6059 NA 0.2612 NA 0.2409 NA 0.2865 NA 0.2665 NA 0.3769 NA 0.8433
Palmitic acid 3.7281 NA 0.2333 NA 0.5546 NA 0.2697 NA 0.2952 NA 0.8006 NA 1.1818 NA 0.9367 NA
Palmitoleic acid NA 0.0875 NA 0.6116 NA 2.6558 NA 1.1954 NA 1.1491 NA 1.2319 NA 0.1063 NA 0.9624
Palmitoyl ethanolamide NA 2.2827 NA 0.2519 NA 0.7354 NA 0.7229 NA 0.7987 NA 1.6231 NA 0.5777 NA 1.0076
Panthenol 0.4259 NA 0.5293 NA 0.4132 NA 1.4298 NA 0.6531 NA 1.2199 NA 0.3817 NA 2.9471 NA
Pantothenic acid 0.7718 0.4341 0.7237 0.5711 1.6677 1.1762 1.3837 1.0336 1.3782 0.9941 1.4096 0.9161 0.8519 0.6429 1.2562 0.7893
Patulin NA 0.1470 NA 2.1520 NA 2.0158 NA 0.7426 NA 0.8533 NA 0.8398 NA 0.2341 NA 1.0154
PC(16:0/0:0) NA 2.7164 NA 0.7326 NA 0.5075 NA 0.3900 NA 0.3909 NA 1.3073 NA 0.9704 NA 0.9848
PCEEA NA 0.0314 NA 0.2914 NA 1.7641 NA 1.5195 NA 1.1266 NA 2.1214 NA 0.0691 NA 1.0764
p-Coumaraldehyde NA 2.5003 NA 0.2014 NA 0.3520 NA 0.3544 NA 0.9482 NA 2.0261 NA 0.3341 NA 1.2834
p-Coumaric acid p NA 0.1168 NA 0.5621 NA 1.8429 NA 1.8012 NA 1.3242 NA 1.3556 NA 0.0750 NA 0.9221
p-Coumaryl alcohol 0.6992 NA 0.0984 NA 1.3692 NA 2.4157 NA 1.8084 NA 1.0259 NA 0.0933 NA 0.4899 NA
PEG n5 NA 0.0867 NA 0.3759 NA 0.4501 NA 0.1467 NA 0.2580 NA 0.0995 NA 5.9506 NA 0.6325
PEG n6 NA 0.2172 NA 0.4537 NA 1.0188 NA 0.1420 NA 0.4884 NA 0.1184 NA 4.8518 NA 0.7098
PEG n7 NA 0.3813 NA 0.6056 NA 1.9110 NA 0.1096 NA 0.7267 NA 0.1170 NA 3.2109 NA 0.9379
PEG n8 NA 0.7376 NA 0.7108 NA 2.5911 NA 0.0625 NA 0.7896 NA 0.1080 NA 1.9781 NA 1.0223
Penbutolol NA 0.0069 NA 0.0163 NA 0.7863 NA 1.6699 NA 2.2129 NA 2.2008 NA 0.0056 NA 1.1013
Pentadecanoyl Ethanolamide NA 0.0068 NA 0.0194 NA 0.7640 NA 1.9383 NA 2.0460 NA 2.1575 NA 0.0104 NA 1.0576
Pentamidine 6.2511 NA 0.1639 NA 0.1515 NA 0.1172 NA 0.1164 NA 0.2158 NA 0.5221 NA 0.4619 NA
Perillartine NA 0.0551 NA 0.2005 NA 2.2371 NA 1.1389 NA 1.2095 NA 1.9739 NA 0.0656 NA 1.1194
Phenacetin NA 0.5080 NA 0.5382 NA 0.6273 NA 0.8232 NA 1.7566 NA 2.0172 NA 0.7451 NA 0.9845
Phenethylamine NA 1.6202 NA 0.4250 NA 0.4791 NA 0.8646 NA 1.1566 NA 1.7171 NA 0.6572 NA 1.0802
Phenmetrazine NA 0.0679 NA 1.6997 NA 2.1986 NA 0.4287 NA 0.1480 NA 0.5054 NA 2.1734 NA 0.7783
Phenol 0.2365 NA 2.0316 NA 1.5395 NA 0.7346 NA 0.6776 NA 0.2757 NA 1.5933 NA 0.9111 NA
Phenylacetaldehyde 3.6751 NA 0.2311 NA 0.2474 NA 0.1747 NA 0.1759 NA 0.4916 NA 1.9997 NA 1.0045 NA
Phenylacetylaspartic acid 1.1583 NA 0.1107 NA 0.2366 NA 0.2503 NA 3.0669 NA 1.5875 NA 0.6470 NA 0.9428 NA
Phenylalanylisoleucine (isomer of 1329) NA 4.9462 NA 0.0166 NA 0.0197 NA 0.0075 NA 0.0160 NA 1.5397 NA 0.1224 NA 1.3320
phenylethylamide 275 NA 0.0197 NA 0.0556 NA 1.4562 NA 1.7114 NA 1.6605 NA 1.9935 NA 0.0429 NA 1.0603
Pheophorbide A NA 0.6215 NA 1.8237 NA 3.4339 NA 0.4939 NA 0.3211 NA 0.0394 NA 0.1152 NA 1.1514
Phloretin 3^,5^-Di-C-glucoside 0.6881 0.1673 2.1278 1.0211 4.1416 1.2071 1.0415 0.2456 1.1630 0.3263 1.0044 0.2679 0.5697 0.1412 1.4934 0.3939
Phloridzin p 4.2675 NA 0.8599 NA 0.3932 NA 0.1734 NA 0.1689 NA 0.1652 NA 1.0851 NA 0.8866 NA
Phloroglucinol NA 0.2603 NA 0.8083 NA 0.8487 NA 0.7164 NA 1.6107 NA 2.3961 NA 0.7334 NA 0.6262
PHOSPHORYLCHOLINE NA 0.0349 NA 0.7412 NA 1.5402 NA 1.0273 NA 1.9206 NA 1.7331 NA 0.2825 NA 0.7203
Phthalic acid NA 0.6482 NA 1.3280 NA 0.2742 NA 0.7620 NA 0.4905 NA 1.5092 NA 2.0865 NA 0.9013
Phthalic Acid, Bis-Hexyl Ester 0.0074 5.9199 0.0085 0.6155 0.1483 1.1773 0.1256 1.9081 0.1077 1.3353 0.1630 1.6466 0.0063 1.0211 0.0755 1.7338
Phthalic Acid,Bis-N-Heptyl Ester NA 0.0169 NA 1.8185 NA 1.9075 NA 0.8429 NA 1.1341 NA 1.1091 NA 0.0149 NA 1.1561
Phthalic Acid, Bis-N-Pentyl Ester 3.5724 5.3326 0.1150 0.3295 0.0702 0.1411 0.0474 0.1292 0.0616 0.1086 0.3616 1.2754 0.4903 1.3446 0.7612 1.8593
Phthalic anhydride NA 0.6551 NA 1.2864 NA 0.3698 NA 0.8004 NA 0.5841 NA 1.4075 NA 1.9327 NA 0.9641
Physostigmine NA 5.2140 NA 0.0837 NA 0.0802 NA 0.0674 NA 0.0789 NA 1.0707 NA 0.1550 NA 1.2500
PI 34:2 0.3615 NA 1.6066 NA 0.7259 NA 1.0366 NA 1.1687 NA 0.1829 NA 1.9033 NA 1.0145 NA
Pimelic acid 1.5239 NA 2.0031 NA 1.0287 NA 0.4321 NA 0.3292 NA 0.2408 NA 1.4448 NA 0.9974 NA
Pinene-2-oxide NA 0.1036 NA 0.3272 NA 1.7473 NA 1.3257 NA 1.4882 NA 1.6845 NA 0.1222 NA 1.2012
Pipecolic acid NA 3.9858 NA 0.5043 NA 0.4107 NA 0.3022 NA 0.4055 NA 0.5747 NA 0.6070 NA 1.2097
Piperonyl-butoxide NA 0.1210 NA 2.6534 NA 1.3358 NA 1.1559 NA 0.5497 NA 0.7758 NA 0.0973 NA 1.3112
Pleurostimin 7-glucoside 1.4826 NA 1.1203 NA 2.0241 NA 0.5163 NA 0.4493 NA 0.5559 NA 0.7909 NA 1.0607 NA
Pongamoside B 0.0671 NA 0.0537 NA 0.6542 NA 2.9794 NA 2.4910 NA 0.8987 NA 0.1396 NA 0.7162 NA
Ponganone V NA 0.1122 NA 0.0704 NA 0.0653 NA 1.0187 NA 4.0499 NA 1.6042 NA 0.0948 NA 0.9845
Posaconazole 0.9579 1.4152 0.5627 0.7346 0.9563 0.5929 1.9289 0.5643 1.3497 0.7739 1.0432 0.9429 0.6380 1.2908 1.2795 0.9692
Pramipexole NA 3.8890 NA 0.0549 NA 0.0590 NA 0.0764 NA 0.2792 NA 1.9480 NA 0.1522 NA 1.5413
Pramocaine NA 0.8096 NA 0.8864 NA 0.9125 NA 0.7110 NA 0.6885 NA 0.7868 NA 2.3215 NA 0.8837
Prespatane NA 3.6783 NA 0.5231 NA 0.3389 NA 0.1296 NA 0.1389 NA 0.2685 NA 1.7444 NA 1.1783
Primobolan NA 0.1127 NA 0.1105 NA 0.2405 NA 2.8234 NA 1.8942 NA 1.6782 NA 0.1158 NA 1.0247
Probenecid NA 3.4850 NA 0.6187 NA 0.3813 NA 0.1670 NA 0.1389 NA 0.1490 NA 2.1393 NA 0.9208
Procainamide NA 0.6097 NA 1.0262 NA 1.7038 NA 0.8867 NA 0.9911 NA 0.8653 NA 0.8486 NA 1.0685
Prochlorperazine NA 0.1758 NA 1.5874 NA 1.0065 NA 0.9267 NA 0.8625 NA 0.4878 NA 2.1297 NA 0.8235
Prodiamine 0.2851 NA 0.3216 NA 0.4571 NA 1.2444 NA 2.1306 NA 2.5406 NA 0.2290 NA 0.7915 NA
Prohexadione 0.0130 2.3674 0.0219 0.2691 0.4987 0.9408 0.3786 2.6067 0.2096 3.1214 0.2649 3.1239 0.0102 0.3240 0.1468 1.7031
Proline NA 3.1658 NA 0.1381 NA 0.2490 NA 0.3581 NA 0.8459 NA 1.2768 NA 0.8697 NA 1.0966
Proline-hydroxyproline NA 4.1002 NA 0.4913 NA 0.2292 NA 0.0963 NA 0.0908 NA 1.3728 NA 0.6063 NA 1.0131
Prolylleucine NA 1.6089 NA 0.2022 NA 0.7832 NA 1.2501 NA 1.3682 NA 0.9256 NA 0.4678 NA 1.3941
Propentofylline 0.1708 NA 2.4297 NA 1.8412 NA 0.9732 NA 0.4755 NA 0.7492 NA 0.4505 NA 0.9100 NA
Propoxur 2.2061 NA 0.2600 NA 0.0662 NA 0.2475 NA 0.3879 NA 0.3048 NA 2.9109 NA 1.6166 NA
Propylaminopentiophenone NA 0.2212 NA 2.5111 NA 2.2881 NA 0.2036 NA 0.0665 NA 0.5509 NA 1.1442 NA 1.0145
Prunin NA 0.9239 NA 3.5920 NA 1.7533 NA 0.0810 NA 0.1562 NA 0.2485 NA 0.1921 NA 1.0532
Pulegone NA 1.0603 NA 0.4945 NA 1.5649 NA 0.9795 NA 0.1111 NA 0.2158 NA 3.3310 NA 0.2430
Putrescine NA 1.3127 NA 2.0045 NA 1.4778 NA 0.5008 NA 0.2585 NA 0.1004 NA 1.3621 NA 0.9833
PV8 NA 0.0272 NA 0.1813 NA 1.9586 NA 1.5281 NA 1.1604 NA 1.9992 NA 0.0571 NA 1.0880
PV9 NA 0.0293 NA 0.1795 NA 1.7375 NA 1.4794 NA 1.2038 NA 2.2628 NA 0.0578 NA 1.0498
Pyracarbolid NA 1.4559 NA 2.3919 NA 0.0569 NA 0.0077 NA 0.0109 NA 0.0150 NA 3.0697 NA 0.9920
Pyraclofos NA 0.4834 NA 1.2010 NA 1.5221 NA 1.0003 NA 1.2852 NA 1.1971 NA 0.3082 NA 1.0026
Pyrazophos 4.0745 NA 0.1342 NA 0.0647 NA 0.0282 NA 0.0364 NA 0.4197 NA 1.5279 NA 1.7144 NA
Pyridate 2.0692 NA 0.4680 NA 0.3921 NA 0.7356 NA 0.5458 NA 0.5661 NA 1.9922 NA 1.2311 NA
Pyridoxal-5^-phosphate monohydrate NA 0.1780 NA 3.8655 NA 0.7925 NA 0.5841 NA 0.1821 NA 0.1690 NA 1.9308 NA 0.2981
Pyridoxine NA 1.1523 NA 1.3531 NA 1.1915 NA 0.6793 NA 0.6687 NA 0.8947 NA 0.9733 NA 1.0870
Pyridoxine + O-Hex NA 0.1954 NA 0.5633 NA 1.0786 NA 1.6935 NA 1.8021 NA 1.3876 NA 0.3406 NA 0.9390
Pyrifluquinazon 0.3417 NA 1.7088 NA 2.7437 NA 0.5612 NA 0.6432 NA 0.2711 NA 1.1711 NA 0.5591 NA
Pyrimethanil NA 1.6716 NA 0.5412 NA 1.0502 NA 1.4848 NA 0.8204 NA 0.8248 NA 0.6267 NA 0.9802
Pyrinuron 0.3183 NA 0.4963 NA 4.3314 NA 0.8204 NA 0.2655 NA 0.1901 NA 0.4273 NA 1.1505 NA
Pyriproxyfen 1.7465 0.9402 0.0164 2.1570 0.0164 0.9459 0.0189 1.1220 0.0232 1.0046 0.2892 2.0611 0.0477 3.6001 0.3886 1.6222
Pyruvic acid 0.8100 NA 0.7991 NA 0.8039 NA 1.0557 NA 1.5659 NA 1.0776 NA 0.7815 NA 1.1063 NA
QLK NA 2.0485 NA 0.0401 NA 0.0562 NA 0.0504 NA 0.0498 NA 4.4531 NA 0.0665 NA 1.2353
Quercetin NA 0.1601 NA 2.8981 NA 2.0482 NA 0.4846 NA 0.4561 NA 0.4414 NA 0.3952 NA 1.1164
Quercetin 3- (2Gal-apiosylrobinobioside) 0.3169 NA 1.9241 NA 2.4782 NA 0.5802 NA 0.6060 NA 0.6341 NA 0.4145 NA 1.0459 NA
Quercetin 3- (6""-ferulylsophorotrioside) 0.1643 NA 1.7158 NA 1.7248 NA 0.7465 NA 0.8395 NA 1.4694 NA 0.1737 NA 1.1660 NA
Quercetin 3- (6"-malonylglucoside) -7-rhamnoside 0.6202 0.8196 1.0499 0.7899 1.7661 2.3075 1.3146 0.4467 1.0727 0.4089 2.4365 0.6508 0.2721 0.3697 1.0761 0.5987
Quercetin-3-D-glucoside NA 2.5167 NA 2.1142 NA 1.4028 NA 0.1172 NA 0.1185 NA 0.1328 NA 0.5245 NA 1.0732
Quercetin 3-O-rhamnoside-7-O-glucoside NA 0.2156 NA 1.2676 NA 1.5587 NA 0.8715 NA 1.0301 NA 1.9443 NA 0.1568 NA 0.9553
(R)-2-hydroxystearic acid 2.8117 NA 0.4172 NA 0.4884 NA 0.8775 NA 0.8213 NA 0.9285 NA 0.5888 NA 1.0665 NA
(R)-3-Hydroxy myristic acid 0.1196 NA 0.3372 NA 2.9877 NA 1.1885 NA 1.0001 NA 1.1200 NA 0.1462 NA 1.1007 NA
Ramipril NA 1.0228 NA 1.0709 NA 1.1535 NA 0.6503 NA 0.2443 NA 0.9444 NA 1.9644 NA 0.9494
Resibufogenin NA 1.5252 NA 1.2041 NA 1.3164 NA 0.4012 NA 0.3226 NA 0.7165 NA 1.3189 NA 1.1952
Resiniferatoxin NA 0.1221 NA 1.4790 NA 1.5184 NA 1.1941 NA 0.9948 NA 0.0857 NA 0.5670 NA 2.0388
Resorcinol monoacetate NA 0.3245 NA 0.5063 NA 0.8848 NA 1.3961 NA 1.5971 NA 2.3121 NA 0.5288 NA 0.4503
Rhamnazin 3-rhamninoside 0.0217 NA 3.7932 NA 0.1638 NA 0.0151 NA 0.0211 NA 0.0131 NA 3.4094 NA 0.5626 NA
Rhaponticin 1.8231 NA 2.3050 NA 1.2873 NA 0.1632 NA 0.0841 NA 0.1598 NA 1.0806 NA 1.0968 NA
Riboflavin 1.6301 NA 0.6668 NA 0.2150 NA 0.1216 NA 0.1878 NA 2.2563 NA 1.8953 NA 1.0272 NA
Ribono-1,4-lactone 1.6955 NA 1.1038 NA 0.5158 NA 0.3365 NA 0.3770 NA 0.4469 NA 2.5510 NA 0.9737 NA
Rilmenidine NA 0.2668 NA 4.0408 NA 1.2442 NA 0.0753 NA 0.0815 NA 0.1135 NA 1.4608 NA 0.7171
Roquefortine-C NA 0.2242 NA 0.0506 NA 0.0422 NA 0.0758 NA 0.3594 NA 6.2721 NA 0.1116 NA 0.8639
Roxithromycin 0.1840 NA 2.4169 NA 2.2930 NA 0.4951 NA 0.2841 NA 0.1625 NA 1.1435 NA 1.0211 NA
R-Palmitoyl-(2-methyl) ethanolamide NA 0.3430 NA 0.1773 NA 2.2073 NA 1.2492 NA 1.2191 NA 1.7662 NA 0.2061 NA 0.8317
Rubone 0.2382 0.5074 0.1951 0.2489 1.7455 4.8498 1.0612 2.1884 0.2391 0.9996 0.2100 1.3626 0.2208 0.3858 0.2712 1.2765
Rutin 1.6898 0.0486 0.0642 0.0451 0.9865 0.2437 2.2881 0.5217 2.5071 0.6103 3.4746 0.9530 0.4648 0.0555 1.7615 0.2855
S-Adenosylmethionine NA 0.1981 NA 1.5531 NA 1.1137 NA 1.7292 NA 1.1251 NA 0.4045 NA 1.0992 NA 0.7770
Salicylic acid 2.2768 NA 1.3028 NA 0.6133 NA 0.3085 NA 0.2858 NA 0.2290 NA 1.9614 NA 1.0223 NA
Salicylic alcohol 0.0430 NA 0.0452 NA 2.6900 NA 1.9011 NA 1.1442 NA 1.2878 NA 0.0279 NA 0.8608 NA
Salidroside 0.5071 NA 1.7237 NA 1.1547 NA 1.0732 NA 1.1440 NA 1.0034 NA 0.4063 NA 0.9876 NA
Salvinorin A 0.1908 NA 0.0713 NA 0.8733 NA 1.8220 NA 1.8222 NA 1.9770 NA 0.1963 NA 1.0472 NA
Sarsasapogenin NA 0.6015 NA 0.0999 NA 0.1061 NA 0.1413 NA 0.0874 NA 5.9421 NA 0.1153 NA 0.9063
Schaftoside NA 1.8394 NA 0.7842 NA 1.6105 NA 0.5762 NA 0.5145 NA 0.8242 NA 0.9223 NA 0.9286
Scoparin 1.0048 NA 0.6926 NA 1.9674 NA 0.8033 NA 0.8853 NA 1.0236 NA 0.6596 NA 0.9633 NA
Scutellarein 7- (6"-malonylglucoside) 0.1563 0.3328 0.8381 1.0501 2.6786 3.0640 0.6324 0.9171 0.6774 0.8517 0.8700 1.1521 0.5560 0.5587 0.7233 0.9414
Sec-O-Glucosylhamaudol 0.2017 NA 2.8213 NA 1.3836 NA 0.6549 NA 0.5497 NA 0.3976 NA 0.9590 NA 1.0322 NA
Sedanolide NA 4.3391 NA 0.3487 NA 0.2490 NA 0.2761 NA 0.0587 NA 0.4753 NA 1.1837 NA 1.0694
Senecionine 0.0842 0.1312 0.1900 0.2567 3.2173 4.8764 0.8332 1.4741 0.4488 0.9131 0.1638 0.2918 0.0933 0.1464 1.2281 1.6517
Senkyunolide A A NA 1.0389 NA 1.1322 NA 0.5092 NA 0.9008 NA 0.4791 NA 0.7989 NA 2.4513 NA 0.6897
Serotonin NA 6.0216 NA 0.0668 NA 0.1011 NA 0.0554 NA 0.0511 NA 0.0810 NA 0.0449 NA 1.5782
Serylleucine NA 4.9731 NA 0.0133 NA 0.0182 NA 0.0086 NA 0.0216 NA 1.2842 NA 0.4169 NA 1.2642
Shikimic acid O 0.4824 NA 1.5163 NA 1.3426 NA 0.7166 NA 0.6945 NA 0.5068 NA 1.9101 NA 0.8307 NA
Shogaol NA 4.0647 NA 0.3733 NA 0.1753 NA 0.1873 NA 0.1567 NA 0.7029 NA 0.9212 NA 1.4187
Sibiricose A3 2.6622 NA 0.4403 NA 0.5798 NA 0.6852 NA 0.7138 NA 0.9000 NA 0.8963 NA 1.1223 NA
Simeconazole NA 4.3118 NA 0.0386 NA 0.1335 NA 0.2344 NA 0.0775 NA 1.5237 NA 0.2445 NA 1.4361
Sinapine NA 1.3487 NA 0.4085 NA 0.2506 NA 1.3186 NA 1.1467 NA 0.9868 NA 1.5706 NA 0.9695
Sinapinic acid 0.0490 0.1226 0.0279 1.0163 0.0229 2.7929 0.0286 2.9798 0.0112 3.4064 0.2656 2.7360 0.0137 0.6043 0.0843 1.8383
Skimmin NA 0.5261 NA 0.1052 NA 2.4062 NA 1.8607 NA 1.6754 NA 0.5703 NA 0.1435 NA 0.7125
SLH NA 2.5722 NA 0.4057 NA 0.9636 NA 0.7004 NA 0.6929 NA 1.0994 NA 0.5099 NA 1.0559
SLK NA 5.0184 NA 0.0380 NA 0.0471 NA 0.0591 NA 0.0604 NA 1.4157 NA 0.3397 NA 1.0215
(S)-N-alpha-benzoylarginine ethyl ester NA 0.8273 NA 0.7948 NA 0.9541 NA 1.2469 NA 0.9542 NA 0.7390 NA 1.4502 NA 1.0335
(S)-Nicotine NA 0.1547 NA 1.0841 NA 1.2588 NA 2.0527 NA 1.2978 NA 0.4386 NA 0.8687 NA 0.8446
Sophoracoumestan A 0.4338 NA 0.6644 NA 0.8135 NA 0.6357 NA 0.8287 NA 0.5616 NA 3.6301 NA 0.4322 NA
Sorbic acid NA 0.5037 NA 0.8427 NA 1.6889 NA 0.4168 NA 1.3444 NA 1.7929 NA 0.4963 NA 0.9141
Spermidine NA 1.8314 NA 1.3325 NA 0.8797 NA 0.4753 NA 0.6806 NA 0.5232 NA 1.3337 NA 0.9435
Spermine NA 2.2845 NA 1.0010 NA 0.4574 NA 0.6640 NA 0.9715 NA 0.9275 NA 0.6761 NA 1.0180
SPI_270.2429_14.9 NA 0.0260 NA 0.2433 NA 1.6892 NA 1.8545 NA 1.4590 NA 1.5984 NA 0.0601 NA 1.0694
Spinetoram 2 NA 0.0558 NA 1.3093 NA 2.5717 NA 1.9555 NA 0.2879 NA 0.5828 NA 0.0566 NA 1.1804
Spiramycin NA 0.2563 NA 1.5591 NA 1.0903 NA 0.8164 NA 0.6299 NA 0.0354 NA 2.7166 NA 0.8959
Spirodiclofen NA 0.4447 NA 1.5917 NA 1.2497 NA 0.6087 NA 0.6144 NA 0.4643 NA 1.5458 NA 1.4806
Spironolactone 5.4705 6.8211 0.0346 0.0481 0.0224 0.0339 0.0158 0.0265 0.0180 0.0322 0.3055 0.4097 0.0230 0.0485 1.2329 1.4574
Spiroxamine NA 0.1050 NA 0.1812 NA 1.7247 NA 1.6092 NA 1.6548 NA 1.5527 NA 0.0224 NA 1.1500
SR144190 NA 0.2821 NA 3.0088 NA 0.1267 NA 0.0833 NA 0.1027 NA 0.1187 NA 3.8505 NA 0.4272
Stearamide NA 0.0142 NA 0.0300 NA 1.4424 NA 1.5371 NA 1.8770 NA 1.9619 NA 0.0351 NA 1.1022
Stearic acid 1.7669 NA 0.1709 NA 0.1832 NA 0.1756 NA 0.1870 NA 3.9283 NA 0.7858 NA 0.8023 NA
Stearoyl ethanolamide NA 3.2143 NA 0.2831 NA 0.3337 NA 0.3719 NA 0.4600 NA 1.8822 NA 0.4525 NA 1.0025
Steviolbioside 2.1417 NA 1.4641 NA 0.4313 NA 0.1136 NA 0.1304 NA 0.9819 NA 1.7829 NA 0.9542 NA
Suberic acid 1.1738 NA 0.7351 NA 0.7675 NA 0.9196 NA 1.2082 NA 1.2680 NA 0.9577 NA 0.9701 NA
Sudan 4 2.7167 NA 0.2873 NA 0.2734 NA 0.2118 NA 0.1498 NA 1.2696 NA 1.5834 NA 1.5079 NA
Sulfamerazine NA 0.0975 NA 0.5285 NA 2.9406 NA 1.2368 NA 0.8604 NA 1.1452 NA 0.1240 NA 1.0669
Sulfamethazine 3.1608 NA 0.0672 NA 0.4610 NA 0.9179 NA 0.9908 NA 1.0614 NA 0.1639 NA 1.1771 NA
Taxifolin 6.2912 NA 0.2895 NA 0.0899 NA 0.0653 NA 0.0668 NA 0.0846 NA 0.2051 NA 0.9076 NA
Taxifolin 3-galactosyl- (1->6) -glucoside 3.3098 0.1648 3.8041 0.5165 2.6961 0.4858 0.3164 0.0442 0.2788 0.0359 0.2914 0.0336 1.7364 0.1533 1.9010 0.2319
Tebuconazole 0.7554 2.3367 0.4570 1.0330 0.2179 0.7580 0.1351 0.2903 0.1803 0.5467 0.2216 0.3491 2.2537 4.9986 0.4648 1.0020
Tentoxin 6.0632 5.8538 0.0961 0.1801 0.0486 0.1773 0.0389 0.1162 0.0347 0.1317 0.0697 0.7419 0.5392 0.2247 0.8093 0.8747
Tephrowatsin A 0.1859 NA 0.2012 NA 1.1848 NA 2.0054 NA 1.5511 NA 1.4948 NA 0.1503 NA 1.2264 NA
Tepraloxydim NA 0.2336 NA 0.0795 NA 1.9949 NA 2.2510 NA 1.5574 NA 0.9914 NA 0.1242 NA 0.7680
Terbucarb NA 0.0020 NA 0.0796 NA 1.8521 NA 1.4899 NA 1.2231 NA 2.2679 NA 0.0052 NA 1.0802
tert-Butyl N-[1-(aminocarbonyl)-3-methylbutyl]carbamate NA 4.8590 NA 0.0135 NA 0.0151 NA 0.0101 NA 0.0201 NA 1.5359 NA 0.1284 NA 1.4180
Testosterone Benzoate NA 0.6891 NA 1.2051 NA 0.9330 NA 0.6984 NA 0.7907 NA 1.3882 NA 1.5759 NA 0.7196
Testosterone Cypionate NA 0.2012 NA 0.1551 NA 0.1408 NA 0.0887 NA 0.0879 NA 6.1782 NA 0.1952 NA 0.9529
Thiamine 4.1522 NA 0.3267 NA 0.4319 NA 0.2660 NA 0.4661 NA 0.5721 NA 0.4945 NA 1.2906 NA
Thiofanox Sulfoxide 0.6483 NA 0.1310 NA 0.1673 NA 0.1463 NA 2.2790 NA 3.5539 NA 0.1389 NA 0.9353 NA
Thiophanate-methyl 3.3477 NA 0.2311 NA 0.1820 NA 0.0280 NA 0.0407 NA 0.7669 NA 2.2160 NA 1.1877 NA
Thioproperazine 2.5216 NA 0.1992 NA 0.2624 NA 0.9269 NA 0.7599 NA 1.3654 NA 0.6945 NA 1.2701 NA
Threonine 1.6307 NA 0.6815 NA 0.7156 NA 1.1495 NA 0.9476 NA 0.9611 NA 1.0470 NA 0.8669 NA
Thymidine 4.4018 NA 0.5862 NA 0.3587 NA 0.0587 NA 0.0484 NA 0.1123 NA 1.2913 NA 1.1425 NA
Thymine NA 1.8908 NA 1.1560 NA 0.4826 NA 0.1814 NA 0.3474 NA 0.4168 NA 2.4941 NA 1.0308
Tiaprofenic acid NA 0.0523 NA 2.0631 NA 2.3769 NA 1.0513 NA 0.5862 NA 0.3520 NA 0.7128 NA 0.8052
Ticarcillin 2.2117 NA 1.7012 NA 0.1444 NA 0.0888 NA 0.1061 NA 0.1416 NA 2.8645 NA 0.7417 NA
Tilidine NA 0.1793 NA 0.1798 NA 2.2929 NA 1.2111 NA 1.0554 NA 1.9184 NA 0.1791 NA 0.9840
Timosaponin A-III A- NA 0.0114 NA 0.0089 NA 0.1823 NA 3.1685 NA 1.8356 NA 1.6298 NA 0.0093 NA 1.1542
TLK NA 4.1721 NA 0.0341 NA 0.0336 NA 0.0359 NA 0.0448 NA 2.2587 NA 0.2664 NA 1.1543
Toliprolol NA 3.1499 NA 0.2683 NA 0.2600 NA 0.5314 NA 0.7418 NA 1.1849 NA 1.2773 NA 0.5863
Tolycaine NA 4.6648 NA 0.0284 NA 0.0470 NA 0.0741 NA 0.2361 NA 1.5123 NA 0.2608 NA 1.1763
TQH NA 4.1382 NA 0.4346 NA 0.2146 NA 0.5229 NA 0.4792 NA 0.1515 NA 0.5263 NA 1.5326
Tranexamic Acid NA 0.0091 NA 2.8947 NA 0.8506 NA 0.2604 NA 0.2770 NA 0.2103 NA 2.7494 NA 0.7485
trans-3-Indoleacrylic acid NA 1.9570 NA 0.7570 NA 0.8667 NA 0.5128 NA 1.1747 NA 1.3437 NA 0.2273 NA 1.1608
trans-Aconitic acid 1.7715 0.5425 0.4328 0.2801 0.4730 0.4532 0.6033 1.6427 0.6557 2.1562 1.5403 1.9209 0.7848 0.5166 1.0032 1.2235
Trehalose 0.0219 NA 0.6111 NA 0.8028 NA 3.4454 NA 1.8131 NA 0.1514 NA 0.2587 NA 0.8957 NA
Tricetin 7,3^,4^,5^-trimethyl eter 5-xylosyl- (1->2) -rhamnoside 0.0529 NA 0.0560 NA 2.3878 NA 2.3279 NA 1.4943 NA 0.8505 NA 0.0399 NA 0.7907 NA
Tricoumaroyl spermidine (isomer of 2951) NA 6.0524 NA 0.0086 NA 0.0330 NA 0.0065 NA 0.0039 NA 0.0057 NA 0.0359 NA 1.8542
Tridemorph NA 0.0324 NA 0.0634 NA 1.2080 NA 1.4554 NA 1.9213 NA 2.1631 NA 0.0743 NA 1.0821
Triethyl phosphate NA 0.5961 NA 0.7411 NA 0.5403 NA 1.5254 NA 0.9462 NA 1.0720 NA 1.8156 NA 0.7633
Trigonelline NA 2.2669 NA 0.6068 NA 0.3794 NA 0.4834 NA 0.4927 NA 0.2156 NA 2.6079 NA 0.9473
Tropatepine 3.9461 5.7613 0.0088 0.0154 0.0107 0.0168 0.0275 0.0125 0.0428 0.0246 0.9304 1.3135 0.4093 0.9881 0.8432 1.6489
Tropine NA 0.0613 NA 1.6623 NA 1.5163 NA 0.6773 NA 0.8329 NA 0.7165 NA 1.6798 NA 0.8536
Tryptamine NA 6.0779 NA 0.0686 NA 0.0350 NA 0.0393 NA 0.1558 NA 0.0511 NA 0.1183 NA 1.4541
Tyramine NA 3.5201 NA 1.1074 NA 0.4677 NA 0.4983 NA 0.3595 NA 0.1870 NA 0.6797 NA 1.1803
Tyrosylalanine 1.6990 7.6515 0.0082 0.0213 0.0092 0.0562 0.0050 0.0179 0.0075 0.0349 0.6475 2.6785 0.0779 0.2907 0.5473 2.2475
Tyr-Tyr 1.8887 6.7513 0.0077 0.0260 0.0113 0.0193 0.0067 0.0166 0.0089 0.0231 0.9251 2.9936 0.1305 0.3534 0.7062 2.1318
Uracil NA 3.2705 NA 0.2625 NA 0.1907 NA 0.0682 NA 0.0512 NA 0.7830 NA 2.1590 NA 1.2150
Uric acid 6.3914 NA 0.0655 NA 0.0993 NA 0.1336 NA 0.1380 NA 0.1740 NA 0.1371 NA 0.8611 NA
Uridine 6.3265 0.6475 0.4179 0.0422 0.3084 0.0285 0.0619 0.0059 0.0599 0.0061 1.2925 0.1390 3.9397 0.3887 2.1158 0.2195
Uridine 5^-diphosphogalactose 0.0940 NA 1.8197 NA 1.4570 NA 1.4625 NA 0.9331 NA 0.1969 NA 1.2765 NA 0.7601 NA
Uridine-5^-monophosphate 0.6256 NA 1.6697 NA 1.2700 NA 0.3747 NA 0.2179 NA 1.9572 NA 0.8316 NA 1.0534 NA
Uridine monophosphate (UMP) 0.3749 NA 1.9835 NA 1.5582 NA 0.4853 NA 0.2933 NA 1.8167 NA 0.6804 NA 0.8076 NA
Valethamate NA 0.1844 NA 0.3538 NA 0.5245 NA 1.4909 NA 1.7960 NA 2.1458 NA 0.4334 NA 1.0713
Valifenalate 0.7862 NA 1.0324 NA 0.8020 NA 1.0416 NA 0.8791 NA 0.8608 NA 1.7015 NA 0.8966 NA
Valine NA 1.3655 NA 0.6436 NA 1.1698 NA 0.9587 NA 1.0348 NA 1.2287 NA 0.6015 NA 0.9974
Valpromide NA 0.0501 NA 0.0518 NA 1.5351 NA 1.8331 NA 1.7298 NA 1.9078 NA 0.0997 NA 0.7925
Valylproline 0.4860 10.2252 0.0019 0.0168 0.0017 0.0182 0.0015 0.0103 0.0016 0.0147 0.1117 2.1311 0.0133 0.2196 0.1557 2.5909
Vanillic acid + O-sulfonateHex 0.1514 NA 0.1698 NA 1.6168 NA 1.8078 NA 1.1961 NA 1.8590 NA 0.1495 NA 1.0495 NA
Vanillin 0.3775 NA 0.3871 NA 1.7594 NA 1.3166 NA 1.3442 NA 1.4087 NA 0.2193 NA 1.1874 NA
Vardenafil NA 6.2447 NA 0.0260 NA 0.0209 NA 0.0200 NA 0.0269 NA 0.1330 NA 0.0297 NA 1.4988
Variabiloside A 2.8928 NA 0.9746 NA 0.0266 NA 0.0265 NA 0.0225 NA 0.0599 NA 3.1644 NA 0.8328 NA
Verrucarol 1.6581 4.1928 0.2367 0.5189 0.1545 0.4514 0.1453 0.3102 0.1623 0.2719 0.5315 0.3660 3.7268 1.7612 0.3645 1.1480
Vicenin-1 6"-O-acetate 2.8794 NA 0.8025 NA 0.5112 NA 0.1431 NA 0.1210 NA 0.1089 NA 2.6996 NA 0.7343 NA
Viloxazine NA 0.2819 NA 1.8428 NA 1.9524 NA 0.5376 NA 0.7365 NA 0.2953 NA 1.4681 NA 0.8855
Vincristine 5.9430 NA 0.0990 NA 0.0986 NA 0.0818 NA 0.0810 NA 0.0722 NA 0.7687 NA 0.8558 NA
Vitexin 1.1625 NA 1.1219 NA 1.5227 NA 0.8255 NA 0.8987 NA 0.4641 NA 1.2054 NA 0.7992 NA
Vitexin 3"^,4"^-Di-O-acetyl 2"-O-rhamnoside 0.1809 NA 0.0899 NA 0.0947 NA 3.4865 NA 2.2406 NA 1.0986 NA 0.0841 NA 0.7246 NA
Vitexin 6"-O-malonyl 2"-O-xyloside 1.6312 3.7197 0.5259 1.0882 0.7799 0.6255 0.1347 0.2403 0.1344 0.1389 0.1108 0.1108 1.7634 3.4449 0.4303 1.1211
VLK NA 5.4532 NA 0.0198 NA 0.0182 NA 0.0133 NA 0.0439 NA 1.0939 NA 0.0631 NA 1.2946
WLH NA 0.0434 NA 1.6124 NA 2.6153 NA 1.3761 NA 0.4480 NA 0.6348 NA 0.0073 NA 1.2628
Xanthine 6.1183 NA 0.0692 NA 0.0965 NA 0.1425 NA 0.2059 NA 0.1952 NA 0.2020 NA 0.9703 NA
Xanthoangelol E NA 0.9738 NA 0.2297 NA 3.2940 NA 0.9689 NA 0.3361 NA 0.5678 NA 0.3511 NA 1.2787
Xanthoangelol G 0.1333 NA 0.0832 NA 1.9393 NA 3.0224 NA 1.1255 NA 0.5364 NA 0.0823 NA 1.0776 NA
Xanthosine 2.3344 NA 0.6151 NA 0.3582 NA 0.4591 NA 0.3915 NA 0.1866 NA 2.7133 NA 0.9418 NA
(Z)-2-octylpent-2-enedioic acid 0.7392 NA 0.7138 NA 0.8040 NA 1.1568 NA 0.6349 NA 1.4366 NA 1.4240 NA 1.0905 NA
(Z)-3-(4-hydroxyphenyl)-N-[4-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]amino]butyl]prop-2-enamide 7.0073 NA 0.0121 NA 0.0133 NA 0.0094 NA 0.0093 NA 0.0071 NA 0.0133 NA 0.9281 NA
zeta-Carotene NA 0.0435 NA 2.4495 NA 0.9983 NA 2.1806 NA 1.1676 NA 0.1037 NA 0.0462 NA 1.0106
Zimelidine 0.2190 NA 0.0698 NA 0.4429 NA 2.4038 NA 2.6516 NA 1.5869 NA 0.0738 NA 0.5522 NA
Ziprasidone 0.2120 NA 0.3883 NA 1.9049 NA 2.0513 NA 1.7746 NA 0.6454 NA 0.3120 NA 0.7114 NA
Zopiclone 1.1017 NA 0.8926 NA 0.3038 NA 0.6412 NA 0.7492 NA 0.6261 NA 2.7259 NA 0.9595 NA
Zuclopenthixol 0.1344 NA 0.9276 NA 4.9019 NA 0.5796 NA 0.2959 NA 0.1446 NA 0.1170 NA 0.8988 NA
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Factors:

F1day post-anthesis:0 | POS/NEG:NEG | Sample source:Capsicum Chinense
F2day post-anthesis:0 | POS/NEG:POS | Sample source:Capsicum Chinense
F3day post-anthesis:16 | POS/NEG:NEG | Sample source:Capsicum Chinense
F4day post-anthesis:16 | POS/NEG:POS | Sample source:Capsicum Chinense
F5day post-anthesis:30 | POS/NEG:NEG | Sample source:Capsicum Chinense
F6day post-anthesis:30 | POS/NEG:POS | Sample source:Capsicum Chinense
F7day post-anthesis:50 | POS/NEG:NEG | Sample source:Capsicum Chinense
F8day post-anthesis:50 | POS/NEG:POS | Sample source:Capsicum Chinense
F9day post-anthesis:55 | POS/NEG:NEG | Sample source:Capsicum Chinense
F10day post-anthesis:55 | POS/NEG:POS | Sample source:Capsicum Chinense
F11day post-anthesis:60 | POS/NEG:NEG | Sample source:Capsicum Chinense
F12day post-anthesis:60 | POS/NEG:POS | Sample source:Capsicum Chinense
F13day post-anthesis:7 | POS/NEG:NEG | Sample source:Capsicum Chinense
F14day post-anthesis:7 | POS/NEG:POS | Sample source:Capsicum Chinense
F15day post-anthesis:QC | POS/NEG:NEG | Sample source:Capsicum Chinense
F16day post-anthesis:QC | POS/NEG:POS | Sample source:Capsicum Chinense
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