Data for ST003817
| Metabolite structure | All data | F1 | F2 | F3 | F4 |
|---|---|---|---|---|---|
| 10-hydroperoxy-8E,12Z-octadecadienoic acid | 59366132.24 | 25713236.87 | 26318886.53 | 37483203.54 | |
| 10-MethylHexadecanoylcarnitine | 2548449.93 | 9805612.51 | 8007475.07 | 3979232.54 | |
| (10Z,12E)-hexadeca-10,12-dienoic acid | 59087620.40 | 27743320.38 | 22939396.05 | 37303373.70 | |
| 1,1^-[1,11-Undecanediylbis(oxy)]bisbenzene | 53575762.21 | 58398723.08 | 34772877.01 | 53111387.20 | |
| 11beta-Prostaglandin F2alpha | 3485429.74 | 3666868.44 | 7234474.07 | 4243890.85 | |
| 11^-Carboxy-gamma-tocotrienol | 8897872.18 | 4982323.91 | 12474118.39 | 7471963.87 | |
| 1,1-Dimethyl-4-phenylpiperazinium | 63338152.57 | 22729446.60 | 29697808.18 | 41398765.94 | |
| (11E,13Z)-10-hydroxyoctadeca-11,13-dienoic acid | 380284740.52 | 155971589.47 | 348988942.09 | 250860965.46 | |
| 11-hydroxyhexadeca-6,12-dienoic acid | 26636010.68 | 14603700.35 | 12005980.03 | 19872111.25 | |
| 1-(1-methylethenyl)-3-(1-methylethyl)-benzene | 28193563.59 | 43157039.85 | 56393732.83 | 50320846.35 | |
| 1-(1-Methylethenyl)-4-(1-methylethyl)benzene | 40290112.46 | 35214797.81 | 43189637.06 | 37707713.05 | |
| 1-(1-Pyrrolidinyl)-2-propanone | 13276285.41 | 26965652.44 | 19435349.54 | 16133699.41 | |
| (11S,12S,13S)-Epoxy-hydroxyoctadeca-cis-9-cis-15-dien-1-oic ... | 36101941.21 | 18457374.05 | 23032632.73 | 26955696.51 | |
| (11Z)-8,18-propano-retinal | 11951368.16 | 4939273.22 | 13196642.36 | 10412580.84 | |
| 12,13-DiHODE | 168062492.99 | 69315587.54 | 110569382.65 | 158796759.56 | |
| 12,13-DiHOME | 165095404.49 | 82064270.36 | 110201859.06 | 124854430.82 | |
| 12(13)Ep-9-KODE | 81864519.24 | 45862499.87 | 72834274.14 | 70570775.10 | |
| 12,13-EpOME | 245368363.91 | 93441300.65 | 171838756.30 | 177126026.43 | |
| 12(13)-Epoxy-9Z-octadecenoic acid | 7744036.35 | 12636841.92 | 18712143.08 | 14597077.59 | |
| 1,2,3,4,5,6-Hexahydro-5-(1-hydroxyethylidene)-7H-cyclopenta[... | 64331936.81 | 16476724.39 | 16383201.36 | 40815919.34 | |
| 1,2,3,4,Tetrahydro-1,5,7-trimethylnapthalene | 17893567.67 | 28596787.35 | 34846430.28 | 30173156.52 | |
| 1,2,4,5-Tetramethylbenzene | 194689848.18 | 71635571.50 | 147965941.79 | 154983362.94 | |
| 1,2,4-Tris(methylene)cyclohexane | 133215274.87 | 44948497.25 | 82999779.43 | 89842080.34 | |
| 1,2,5,8,15,19,19-heptamethyl-13,18-dioxopentacyclo[12.8.0.0&... | 38670519.92 | 18325057.07 | 16514674.92 | 28188089.20 | |
| 12alpha-Hydroxy-3-oxochola-1,4-dien-24-oic Acid | 31364472.72 | 26637471.44 | 70819272.27 | 49007039.06 | |
| 12-Cytisineacetamide | 61702199.50 | 17731079.85 | 25203451.17 | 33864460.11 | |
| 1,2-Diethyl-3-hydroxypyridin-4-one | 8976832.63 | 8440088.70 | 7594261.31 | 8467945.02 | |
| 1,2-Dihexanoyl-sn-glycero-3-phosphoethanolamine | 213490810.28 | 240769150.48 | 290428206.78 | 278331649.32 | |
| 1,2-Dihydro-1,1,6-trimethylnaphthalene | 30787692.67 | 30265757.27 | 35850053.42 | 35825862.87 | |
| 1,2-Dihydronaphthalene | 16397065.82 | 16401480.58 | 19775270.06 | 19663488.14 | |
| 1,2-Dihydroxy-3-keto-5-methylthiopentene | 12718789.67 | 7401066.31 | 7860983.57 | 7325806.82 | |
| 1,2-dihydroxyheptadec-16-en-4-yl acetate | 2264980.14 | 904556.69 | 1533807.36 | 1659248.08 | |
| 1,2-Dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]q... | 8275451.65 | 3053136.77 | 3545825.00 | 4605548.74 | |
| 1,2-dipalmitoyl-sn-glycero-3-PC | 20777190.05 | 25063230.38 | 21516085.01 | 14156900.74 | |
| (12E)-9-hydroxyoctadec-12-enoic acid | 231617032.45 | 73167251.92 | 211836494.12 | 189510066.79 | |
| [12-hydroxy-6-(hydroxymethyl)-10-methyl-2-(4-methylpent-3-en... | 13260195.83 | 15970972.68 | 13366183.38 | 14759030.41 | |
| 12-Ketodeoxycholic acid | 132804715.60 | 76415001.63 | 106198899.63 | 126927592.44 | |
| 12-Oxodihydrophytodienoic acid | 94782170.95 | 54308734.93 | 67309168.22 | 90844155.31 | |
| (12Z,15Z)-10-hydroxyoctadeca-12,15-dienoic acid | 76458570.35 | 38562279.98 | 40879611.51 | 46335684.31 | |
| 1,3,5,11-Bisabolatetraen-10-one | 5864509.56 | 4722797.19 | 5705481.43 | 5855787.20 | |
| 1-(3,5-dihydroxyphenyl)-12-hydroxytridecan-2-one | 18449605.27 | 11879774.41 | 19810929.05 | 18295134.10 | |
| 13-Docosenamide | 152263229.46 | 148987067.80 | 562566133.67 | 268496966.81 | |
| 13-Docosenamide, (Z)- | 11251948.06 | 22179696.36 | 16687167.46 | 36629804.31 | |
| 13E,15E,18Z,20Z-pentacosatetraen-11-ynyl acetate | 33935213.30 | 39766961.21 | 37913152.48 | 34931353.22 | |
| 13-epi-12-oxo Phytodienoic Acid | 26912675.38 | 25880354.09 | 53003127.15 | 36889804.15 | |
| 13-HODE | 36392743.41 | 14013889.18 | 27026139.53 | 29607806.30 | |
| 13-HOTrE | 97876740.35 | 61795664.30 | 67480794.14 | 67338654.98 | |
| 13^-Hydroxy-alpha-tocotrienol | 171307630.63 | 42117182.37 | 168322178.52 | 92765928.09 | |
| 13^-Hydroxy-gamma-tocotrienol | 23273131.85 | 4635742.70 | 14079103.50 | 7302642.79 | |
| 13-OxoODE | 182788277.90 | 72525126.38 | 80209470.88 | 102010200.32 | |
| 13(S)-HOTrE | 118898782.23 | 65451745.32 | 101069955.35 | 110579161.76 | |
| 1,4-dihydroxyheptadec-16-en-2-yl acetate | 20395614.35 | 7062226.54 | 13693979.54 | 12062675.69 | |
| 1,4-Methylimidazoleacetic acid | 4989058.40 | 7712816.36 | 3612434.60 | 4987504.66 | |
| 15-HETE | 26177420.31 | 17119817.99 | 33777275.21 | 26312794.36 | |
| 1,5-Isoquinolinediol | 36113508.00 | 30661072.98 | 22612076.38 | 37827730.93 | |
| 15-Ketoprostaglandin F2alpha | 17732332.76 | 16513160.81 | 12286773.20 | 16154980.36 | |
| 1,5-Naphthalenediamine | 14195226.81 | 9352058.42 | 8671696.75 | 10866391.89 | |
| 15(S)-HETE | 19410143.93 | 12414688.59 | 26176873.37 | 18010681.41 | |
| 15(S)-Hydroxyeicosatrienoic acid | 44407732.88 | 44393945.91 | 50648803.05 | 24361587.80 | |
| 16-Dehydroepicalcitriol | 39891740.44 | 52055466.27 | 30264137.76 | 39418906.54 | |
| 16-Hydroxyhexadecanoic acid | 8575232.15 | 6226225.34 | 7950755.36 | 6546542.72 | |
| 17beta-hydroxy-5beta-estran-3-one | 281307902.96 | 93948811.75 | 131111289.12 | 192381342.81 | |
| 1,7-Octadiene | 47439889.29 | 38410093.54 | 34280223.01 | 40307911.74 | |
| 18a-Glycyrrhetinic acid | 25095895.46 | 15833457.27 | 15297952.27 | 19659280.84 | |
| 18-fluoro-9Z-octadecenoic acid | 6206676.53 | 34676829.66 | 11087991.69 | 20050859.43 | |
| 1,9-Heptadecadiene-4,6-diyn-3-ol, (3R,9Z)- | 6181297.51 | 5922933.91 | 16024542.10 | 7041041.44 | |
| 19(R)-HETE | 8975009.30 | 9915543.48 | 9835701.22 | 10082700.13 | |
| 1-(9Z-Octadecenoyl)-sn-glycero-3-phosphocholine | 144681567.30 | 157002010.06 | 121929226.49 | 134452004.94 | |
| 1a,1b-dihomo-15-deoxy-δ-12,14-PGD2 | 65396990.01 | 32050845.76 | 50828524.76 | 53126425.17 | |
| 1-Acetylproline | 49700278.91 | 39955682.91 | 63311223.88 | 53825914.08 | |
| 1alpha,23-dihydroxy-24,25,26,27-tetranorvitamin D3 / 1alpha,... | 19575285.02 | 5046122.90 | 12237857.82 | 10874139.60 | |
| 1alpha,25-dihydroxy-9,11-didehydro-3-deoxyvitamin D3 / 1alph... | 7208569.78 | 12813850.62 | 11046622.58 | 6833328.83 | |
| 1alpha-hydroxy-22-oxovitamin D3 / 1alpha-hydroxy-22-oxochole... | 12515210.37 | 20030823.60 | 20333958.57 | 21104237.12 | |
| 1alpha-hydroxy-24-oxo-26,27-cyclovitamin D3 / 1alpha-hydroxy... | 46104924.43 | 62362379.68 | 32750870.04 | 59897374.85 | |
| 1-Amino-2-ethoxybenzene | 33312799.20 | 38122559.60 | 37419888.39 | 41681361.93 | |
| 1-Benzylpiperazine | 22963415.46 | 10903801.67 | 16614999.64 | 17547113.09 | |
| 1-beta-D-Glucopyranosyl-L-tryptophan | 95793875.96 | 61396963.63 | 69865074.98 | 71842060.06 | |
| 1-Carboxyethylvaline | 235090100.38 | 75593269.47 | 188315903.55 | 186955036.56 | |
| 1-Deoxy-1-morpholino-D-fructose | 7236767.92 | 59452584.62 | 5340518.95 | 5309906.67 | |
| 1-Dodecyl-2-pyrrolidinone | 11592157.30 | 13374167.28 | 13727230.43 | 13014223.96 | |
| 1-ethyl-4-(4-methylpiperidyl)-3-nitrohydroquinolin-2-one | 14625117.03 | 4093176.11 | 2965591.67 | 5086422.30 | |
| 1-Ethylpiperidine | 537177410.37 | 579826937.45 | 541935056.28 | 537090672.87 | |
| 1-Ethylpyrrolidine | 8037887751.38 | 6762415179.79 | 5208941017.46 | 6061685427.24 | |
| 1-heptadecanoyl-sn-glycero-3-phosphocholine | 14104244.14 | 35959065.95 | 20961377.18 | 20960702.00 | |
| 1-Hexadecanoyl-2-Octadecadienoyl-Sn-Glycero-3-Phosphocholine | 21457429.19 | 24193365.34 | 39948648.89 | 19942619.45 | |
| 1-Hexadecanoyl-sn-glycero-3-phosphocholine | 3086679.44 | 3585818.97 | 2348366.60 | 1818029.12 | |
| 1-Hexadecylamine | 8432451.95 | 10669149.03 | 13901927.02 | 8627844.65 | |
| 1H-Imidazole-4-carboxamide | 387428528.11 | 173440928.13 | 378764126.41 | 328493585.01 | |
| 1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carboxylic acid | 183128333.42 | 92482965.25 | 177056582.45 | 159683737.43 | |
| 1-(hydroxyamino)pentadecan-2-ol | 11003486.61 | 4994244.79 | 9789280.23 | 4379589.61 | |
| 1-hydroxyhexanoylglycine | 78794114.21 | 61440786.50 | 57552076.27 | 55074463.42 | |
| 1-Hydroxyisoquinoline | 58036567.96 | 40069502.72 | 44306860.42 | 44783025.67 | |
| 1-Isothiocyanato-8-(methylsulfinyl)-octane | 37616438.77 | 78770655.79 | 73584386.21 | 67901003.94 | |
| 1-Isothiocyanato-9-(methylsulfinyl)-nonane | 45883227.09 | 19839405.74 | 39581227.14 | 33904642.18 | |
| 1-L-Leucyl-L-Proline | 650620155.32 | 575410161.65 | 520586028.24 | 578072706.66 | |
| 1-Methyl-2-n-hexylbenzene | 19081428.53 | 18456068.15 | 24930867.84 | 21867262.69 | |
| 1-methyl-4-(6-methylhept-5-en-2-yl)-2,3-dioxabicyclo[2.2.2]o... | 8021153.24 | 6383482.01 | 8427960.97 | 5116184.19 | |
| 1-Methyl-4-isobutylbenzene | 54086552.48 | 31238348.24 | 45609270.58 | 44919363.93 | |
| 1-Methyladenosine | 19552807.50 | 13388174.82 | 19229977.62 | 18976890.86 | |
| 1-Methylcyclohexanol | 80565175.16 | 85285332.90 | 86613969.42 | 83954454.72 | |
| 1-Monopalmitin | 20785156.63 | 28715699.66 | 22916220.85 | 11176328.31 | |
| 1-Naphthylamine | 12410658.59 | 7643016.72 | 9535880.30 | 9717728.29 | |
| 1-Naphthylmethanol | 167512422.97 | 224655542.84 | 124235614.31 | 157947061.01 | |
| 1-Octadecanamine | 220366921.33 | 240466105.12 | 334570445.54 | 191172211.84 | |
| 1-Oleoyl-Sn-Glycero-3-Phosphocholine | 29316972.51 | 36043441.94 | 27483509.05 | 28477873.27 | |
| 1-Palmitoyl-2-hydroxy-sn-glycero-3-phosphoethanolamine | 7090474.52 | 2403725.62 | 6705092.97 | 5417588.43 | |
| 1-Palmitoyl-2-oleoyl-sn-glycerol | 43003652.32 | 22944741.01 | 33175113.10 | 27687820.11 | |
| 1-Palmitoylphosphatidylcholine | 143873803.50 | 187537401.69 | 131840855.19 | 113506563.57 | |
| 1-Palmitoyl-Sn-Glycero-3-Phosphocholine | 2543558.01 | 8149734.60 | 971570.94 | 526259.55 | |
| 1-Phenyl-1,3-docosanedione | 3159009.58 | 2763549.74 | 5646791.11 | 2911857.35 | |
| 1-Phenyl-1,3-dodecanedione | 33294801.78 | 17452509.12 | 24669677.14 | 29619502.52 | |
| 1-Phenyl-1-cyclohexene | 16813410.79 | 19558154.34 | 17015219.60 | 24280699.16 | |
| 1-Phenyl-1-pentanone | 30783925.59 | 34704703.83 | 32558849.34 | 31926375.39 | |
| 1-Phenylheptane | 25008416.78 | 19048355.73 | 25473495.36 | 16409665.92 | |
| 1_proprionylpyrrolidine_2_carboxylic_acid | 5102510.49 | 4708680.16 | 6135010.58 | 4923678.13 | |
| 1-Pyrroline-5-carboxylic acid | 56574460.75 | 60189915.76 | 50217075.02 | 60384909.07 | |
| 1R_2R_5R_hydroxy_3_pinanone | 21125007.31 | 21875449.72 | 25925015.06 | 25310224.35 | |
| (1R,2R,5S,8R,14R,15R,16S)-16-hydroxy-1,2,14,17,17-pentamethy... | 17640891.91 | 20162149.49 | 18394039.49 | 11821427.66 | |
| (1R,3aS,9bS,11aR)-7-hydroxy-1-[(2R,4E)-6-hydroxy-6-methylhep... | 6200659.01 | 5313917.76 | 9058708.80 | 7747841.79 | |
| (1R,3aS,9bS,11aR)-7-hydroxy-1-[(2R)-4-hydroxy-6-methylhept-5... | 23944675.95 | 6313900.68 | 15179134.10 | 14901414.80 | |
| (1R,4aS,5R,8aS)-5-(5-hydroxy-3-methylpentyl)-1,4a-dimethyl-6... | 34962872.97 | 12145607.17 | 14257213.62 | 20669755.13 | |
| (1R,4R)-Dihydrocarvone | 32261538.81 | 30025792.80 | 27591886.97 | 33372918.87 | |
| (1R,4S)-1-methyl-4-((E)-pent-2-en-4-yn-1-yl)octahydro-2H-qui... | 7922612.56 | 9220590.08 | 12375691.27 | 9489016.99 | |
| (1S,2R,5R,6R,10R,13S,15S)-5-[(2R,3E,5R)-5,6-dimethylhept-3-e... | 14673939.00 | 19632454.01 | 37111625.49 | 26490401.60 | |
| (1S,2S,6R,7R,9R)-6-methyl-10,12-dioxatricyclo[7.2.1.0<2,7... | 34349401.13 | 43236901.07 | 38599022.17 | 39315529.29 | |
| 1-Stearoyl-2-Arachidonoyl PC | 85866268.92 | 66789910.43 | 65976583.65 | 40703502.02 | |
| 1-Stearoyl-2-hydroxy-sn-glycero-3-phosphocholine | 215299607.71 | 317955366.05 | 279070946.08 | 28232726.55 | |
| 1-Stearoyl-Sn-Glycerol-3-Phosphocholine | 95550533.86 | 132274331.70 | 89603149.31 | 49599134.29 | |
| (1xi,3xi)-1,2,3,4-Tetrahydro-1-methyl-beta-carboline-3-carbo... | 148576300.23 | 95809815.47 | 124680364.97 | 124940587.31 | |
| (20S,22E)-3beta-Hydroxychola-5,16,22-trien-24-oic Acid | 272021325.52 | 228139980.13 | 191094009.91 | 209543723.64 | |
| 21-Hydroxydydrogesterone | 3448153.61 | 11401998.92 | 3369129.28 | 2611977.56 | |
| 2,2,4,4,6,6-Hexamethyl-1,3,5-trithiane | 52762625.51 | 71735370.01 | 63073117.37 | 54794924.75 | |
| 2,2^-[(4-Methylphenyl)imino]diethanol | 22726893.88 | 13086936.32 | 14951401.51 | 15587540.05 | |
| 2,2,6,6-Tetramethylpiperidine | 77053093.45 | 54262294.91 | 105240426.82 | 74305725.33 | |
| 22-Dehydroclerosterol | 41475359.17 | 49275016.73 | 65773031.97 | 63383007.15 | |
| (22E)-1alpha,3beta-Dihydroxychola-5,16,22-trien-24-oic Acid | 42814492.11 | 22184907.75 | 24946051.21 | 32271988.18 | |
| (22E)-(24R)-1alpha,24-dihydroxy-26,27-cyclo-22,23-didehydro-... | 449729.66 | 1346663.91 | 1254436.84 | 421634.77 | |
| (22E)-(24R)-1alpha,24-dihydroxy-26,27-cyclo-22,23-didehydrov... | 103488815.60 | 66825610.46 | 50418756.48 | 77936966.25 | |
| (22E,24R)-Stigmasta-4,22-diene-3,6-dione | 23877845.99 | 22490159.04 | 30759869.55 | 24121198.37 | |
| 2-(2-Hydroxy-4-methylphenyl)-3-pentanone | 20629459.28 | 15633710.41 | 19278347.33 | 19643558.50 | |
| (±)-2,2^-Iminobispropanoic acid | 96815916.79 | 96658575.23 | 97206061.36 | 98743408.04 | |
| 23,24-didehydro-25-hydroxyvitamin D3 / 23,24-didehydro-25-hy... | 30633977.62 | 46273955.95 | 46944586.43 | 39760556.89 | |
| 2-[3-Carboxy-3-(methylammonio)propyl]-L-histidine | 8825229.23 | 13404099.27 | 6526179.37 | 6335249.00 | |
| 2,3-Dihydro-6-methyl-1H-pyrrolizine-5-carboxaldehyde | 25465027.05 | 23928287.63 | 16787511.70 | 21664314.73 | |
| 2,3-Dihydro-6-methyl-5-(5-methyl-2-furanyl)-1H-pyrrolizine | 38542093.96 | 5085328.67 | 10568244.19 | 18400004.30 | |
| 2,3-dihydroxypropyl 13-methyltetradecanoate | 3195567.19 | 2752012.67 | 6849165.22 | 3579201.58 | |
| 2,3-dihydroxypropyl hexadecanoate | 11664757.20 | 9196999.99 | 14093766.61 | 15340444.67 | |
| 2,3-dinor-PGE1 | 31614343.44 | 21955485.73 | 39111511.57 | 31617398.00 | |
| 2,4,12-Octadecatrienoic acid isobutylamide | 3978236.70 | 6438786.60 | 23537491.14 | 6331167.47 | |
| 24,25-hydroxyvitamin D3 | 25322019.18 | 48035334.37 | 27693134.01 | 35596610.47 | |
| 2,4,6-Triethyl-1,3,5-trithiane | 27485965.63 | 63466983.14 | 59084240.72 | 50055556.27 | |
| 2,4,6-Tris(2-pyridyl)-s-triazine | 8280492.98 | 6003536.23 | 7955384.79 | 6507737.02 | |
| 2-[4-(diethylamino)phenyl]-6-hydroxy-3-azabicyclo[4.4.0]dec-... | 12313712.57 | 31523430.63 | 25948550.02 | 20223020.58 | |
| 2,4-dihydroxyheptadecyl acetate | 24635484.19 | 11428618.15 | 33119372.71 | 19568406.18 | |
| 2,4-Dodecadienoic acid, 11-methoxy-3,7,11-trimethyl-, 1-meth... | 5786744.08 | 3089253.89 | 6649670.92 | 4450774.11 | |
| 2,4-Hexadien-1-ol | 1618371580.93 | 2071327517.43 | 1452336133.70 | 1849131264.79 | |
| 24-Norursa-3,12-dien-11-one | 6053762.04 | 3165279.38 | 11726064.61 | 8360008.78 | |
| 24-Norursa-3,12-diene | 7002745.02 | 6016315.04 | 10431615.70 | 6296260.32 | |
| 24-Norursa-3,9(11),12-triene | 6828208.76 | 25329116.28 | 32807293.60 | 11851839.70 | |
| 2,4-Pentanedione | 27837587.25 | 23392928.49 | 24899515.02 | 22574989.04 | |
| 2-((4R)-4-((3R,5R,6S,7S,9S,10R,13R,17R)-3,6,7-trihydroxy-10,... | 47667502.12 | 50909733.82 | 33139719.22 | 45836077.18 | |
| 2-((4R)-4-((5R,7R,8R,9S,10S,12S,13R,17R)-7,12-dihydroxy-10,1... | 9678240.69 | 7939215.03 | 6373563.17 | 8456469.09 | |
| 2-((4R)-4-((5S,9S,10S,12R,13R,14S,17R)-12-hydroxy-10,13-dime... | 11539385.10 | 24385742.57 | 9586944.94 | 5501439.01 | |
| 25(27)-Dehydroporiferasterol | 26096608.02 | 11281729.41 | 59765304.84 | 45344207.52 | |
| 2-(5,8-Tetradecadienyl)cyclobutanone | 28235519.95 | 16767689.10 | 35898366.95 | 23219563.74 | |
| 2,5-Diamino-2-methylpentanoic acid | 99990920.22 | 112542001.71 | 134007147.78 | 149390681.83 | |
| 2,5-Diethyl-3-methylpyrazine | 28143964.17 | 14412431.31 | 20668205.58 | 5348089.90 | |
| 2,5-Dihydro-2,4,5-trimethyloxazole | 68283507.31 | 54629109.21 | 54235715.37 | 62308027.78 | |
| 2,5-Dihydro-2,4-dimethyloxazole | 28592654.58 | 71349572.18 | 20976539.87 | 22906653.36 | |
| 2,5-Diisopropylphenol | 21277410.20 | 8944938.87 | 14659452.41 | 19136442.80 | |
| 25-hydroxy-16,17,23,23,24,24-hexadehydrovitamin D3 / 25-hydr... | 127751323.23 | 256874554.17 | 294551239.80 | 222673696.33 | |
| 25-hydroxy-16,17,23,24-tetradehydrovitamin D3 / 25-hydroxy-1... | 15108952.38 | 20310213.90 | 22794009.72 | 19830708.32 | |
| 25-hydroxy-16,17-didehydrovitamin D3 / 25-hydroxy-16,17-dide... | 36910064.99 | 66011150.45 | 47083008.06 | 54673336.95 | |
| 25-hydroxy-1-oxo-3-epiprevitamin D3 / 25-hydroxy-1-oxo-3-epi... | 10147619.81 | 13457942.04 | 11588729.26 | 14564775.62 | |
| 25-hydroxy-23,23,24,24-tetradehydrovitamin D3 / 25-hydroxy-2... | 13010678.97 | 17929708.93 | 13658339.90 | 16009884.11 | |
| 25-hydroxy-23-oxovitamin D3 / 25-hydroxy-23-oxocholecalcifer... | 66805264.61 | 85700932.82 | 83790530.50 | 82017417.68 | |
| 25-Hydroxycholesterol | 21012683.83 | 66578853.49 | 82312479.11 | 52910609.26 | |
| 2-[6-(diethylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-... | 54002762.40 | 62822764.69 | 76419687.73 | 73852160.46 | |
| 2,6-Dimethyl-4-hydroxybenzaldehyde | 8089003.55 | 7004016.52 | 9456964.41 | 6450476.32 | |
| 2-Acetamidophenol | 20373162.87 | 19859114.61 | 29300216.81 | 30890745.84 | |
| 2-Acetyl-1,5,6,7-tetrahydro-6-hydroxy-7-(hydroxymethyl)-4H-a... | 49238648.94 | 31318948.42 | 48279983.79 | 45914711.29 | |
| 2-Acetylpyrrolidine | 14445096.30 | 14201121.46 | 14918979.80 | 16812643.82 | |
| 2-Amino-3,8-dimethyl-3H-imidazo[4,5-f]quinoxaline | 35339214.92 | 20293036.48 | 29825092.14 | 29035705.59 | |
| 2-Amino-4-methylpentanoic acid | 45516965.71 | 37040491.22 | 33659950.34 | 34216681.56 | |
| 2-Aminobicyclo[3.1.0]hexane-2,6-dicarboxylic acid | 99589470.39 | 107695242.85 | 126416351.47 | 108815990.23 | |
| 2-Aminoethyl oleate | 115819716.24 | 74466204.57 | 159771355.07 | 99564428.44 | |
| 2-benzyl-1-methyl-5-nonylpyrrolidin-3-ol | 789357.92 | 5932683.53 | 10814129.07 | 5943217.36 | |
| 2beta,3beta-Dihydroxy-6-oxo-5alpha-chol-7-en-24-oic Acid | 21228430.61 | 27005167.58 | 35780880.60 | 25573909.67 | |
| 2-Butanone, 4-(2,6,6-trimethyl-2-cyclohexen-1-yl)- | 21440816.33 | 20679776.28 | 40341200.88 | 26285274.03 | |
| 2-(-)-Carvone | 28520880.76 | 19601571.07 | 29654721.51 | 24970181.07 | |
| 2^-deoxyadenosine | 2455923278.70 | 862823055.16 | 1620488728.57 | 1752436457.01 | |
| 2-Deoxyguanosine | 469338145.74 | 194079134.05 | 464292971.67 | 438410842.42 | |
| 2^-Deoxyinosine | 71719752.63 | 71966911.84 | 114745710.66 | 91404834.45 | |
| (2E,4E)-12-hydroxy-13-(hydroxymethyl)-3,5,7-trimethyltetrade... | 26810053.01 | 14128987.65 | 35037160.86 | 23562505.13 | |
| (2E,4Z)-2,4-nonadienal | 26246632.66 | 32635340.56 | 26157989.80 | 26062083.68 | |
| (2E,6E)-1-Hydroxy-2,6,10-farnesatrien-9-one | 47235697.66 | 41788888.86 | 47434782.17 | 51545600.68 | |
| (2E,6E)-2,6-Nonadienal | 33451092.46 | 32558328.94 | 34363165.36 | 31271813.18 | |
| [(2E,6Z,10Z)-7,11-bis(acetyloxymethyl)-3,15-dimethylhexadeca... | 11997572.55 | 13240522.31 | 11835136.79 | 10884437.63 | |
| 2-Ethyl-3,4-dihydroxyfuran | 221373256.35 | 200729925.94 | 201246869.22 | 181347826.14 | |
| 2-(ethylamino)-4^-hydroxy-Propiophenone | 65110530.02 | 49101839.98 | 37233055.53 | 28519668.02 | |
| 2-Ethylhexyl 4-(dimethylamino)benzoate | 10626343.81 | 4467740.78 | 6523189.71 | 7656534.50 | |
| 2-Heptanone | 79557090.59 | 73649119.96 | 67817235.39 | 58944987.92 | |
| 2-Hepten-4-yn-1-amine, N,6,6-trimethyl-, (E)- Metabolite | 12433692.72 | 13576480.60 | 14124787.42 | 16012230.52 | |
| 2-heptylhexanedioic acid | 33866325.16 | 38087606.98 | 33213188.40 | 36179333.30 | |
| 2-Hexenal | 1351696166.78 | 1121939911.86 | 1366902634.43 | 1272701764.81 | |
| 2-Hexenoylcarnitine | 13443420.50 | 13526003.05 | 12515354.07 | 12250144.75 | |
| 2-Hydroxy cinnamic acid | 44036191.00 | 39093382.69 | 19032719.36 | 35560668.16 | |
| 2-Hydroxycinnamic acid | 60962953.23 | 40219659.46 | 51048220.34 | 58195889.09 | |
| 2-Hydroxyquinoline | 291437937.47 | 174281376.42 | 130888167.14 | 220559793.26 | |
| 2-isopentyl-3,6-dimethyl pyrazine | 17822689.43 | 11586366.55 | 15829794.52 | 14866111.19 | |
| 2-isopropyl-5-methylfuran | 28727659.66 | 23189314.12 | 27161684.28 | 29831671.36 | |
| 2-Isopropyl-6-methyl-4-pyrimidone | 6652416.86 | 4608212.03 | 13088728.20 | 5018824.13 | |
| 2-isopropylcyclopentanone | 35982466.03 | 26223869.23 | 34359682.75 | 39264201.35 | |
| 2-Isopropylphenyl methylcarbamate | 18781103.23 | 21575771.45 | 26329556.22 | 24581458.73 | |
| 2-Keto-6-acetamidocaproate | 80292608.48 | 73066618.90 | 81120619.00 | 83888483.73 | |
| 2-Methoxy-5-prop-1-enylphenol | 13033030.90 | 13246777.36 | 13511834.05 | 10971040.88 | |
| 2-Methyl-1,3-cyclohexadiene | 40416644.87 | 41920087.46 | 30258743.23 | 37380045.89 | |
| 2-methyl-2-(3-pentadecylphenoxy)propanoic acid | 62774395.46 | 104218917.24 | 54772347.02 | 76715640.83 | |
| 2-Methyl-2-pentenal | 1727867273.65 | 2333173539.32 | 2267985418.62 | 2069309350.93 | |
| 2-Methyl-3-methoxy-4-phenylbutyric acid | 144789075.85 | 83360382.93 | 87200371.48 | 113006015.42 | |
| 2-methyl-3-Pyrimidin-2-yl-Propionic Acid | 23562739.81 | 23798124.04 | 10359229.22 | 19143753.17 | |
| 2-Methylimidazole | 43814726.71 | 51297370.68 | 46223468.15 | 34458542.63 | |
| (±)-2-Methylthiazolidine | 70238812.42 | 47315302.41 | 41472303.32 | 45100860.16 | |
| 2-Methylthio-N6-(delta2-isopentenyl)adenosine | 22804214.30 | 13740360.40 | 22939085.54 | 21858684.09 | |
| 2-Octen-4-one | 36938439.72 | 55471779.87 | 48185028.42 | 22961806.08 | |
| 2-octyltridecanedioic acid | 13767360.80 | 11038886.14 | 12611592.48 | 12505469.99 | |
| 2-Oxovaleric acid | 489657732.56 | 521910069.66 | 609738245.12 | 486826647.00 | |
| 2-Pentyl-3-phenyl-2-propenal | 9196324.91 | 6160151.96 | 12570665.97 | 14393105.02 | |
| 2-pentyl-6-propylpiperidin-4-ol | 8010167.39 | 6892887.16 | 10529658.36 | 8525168.70 | |
| 2-Phenyl-1,3-propanediyl monocarbamate | 91110668.58 | 35527606.52 | 41098927.12 | 58801056.40 | |
| 2-Phenylethanol | 45418732.98 | 36046039.95 | 41279600.21 | 40289079.16 | |
| 2-Phenylethyl hexanoate | 76783427.67 | 51850579.52 | 86053216.49 | 80691880.95 | |
| 2-Piperidone | 384444615.42 | 256393971.51 | 119218008.66 | 265641011.36 | |
| 2-Propylisonicotinic acid | 77122282.06 | 24827276.74 | 46209090.46 | 29792463.76 | |
| 2-Pyrrolidinone, 1-methyl- | 89111542.16 | 87789872.14 | 92171776.53 | 94889491.44 | |
| 2-Pyrrolidone-5-carboxylic acid, methyl ester | 56269084.09 | 39564026.42 | 38749364.27 | 49457361.00 | |
| (2R)-2-[(2R,5S)-5-[(2S)-2-hydroxybutyl]oxolan-2-yl]propanoic... | 6799211.09 | 5530143.86 | 7133324.57 | 7008512.86 | |
| (2R)-2-[[(2S,3R)-3-Amino-2-hydroxy-4-phenyl-butanoyl]amino]-... | 56672872.34 | 8663392.31 | 9414084.77 | 31410990.56 | |
| (2R)-2,8-Dimethyl-2-(4,8,12-trimethyltrideca-3,7,11-trienyl)... | 12122960.12 | 9994790.68 | 14028897.92 | 732148.87 | |
| (2R)-2-Amino-6-[[(3S,4R,5R)-3,4,5,6-tetrahydroxy-2-oxohexyl]... | 4395989.11 | 3495135.24 | 3173538.47 | 4331164.76 | |
| (2R,2aR,2^R,4R,5R,5^R,6aR,8aS,8bR,9S,11aS,12bS)-5^,6a,8a,9-t... | 2215143.31 | 2729246.10 | 6298193.84 | 2673210.44 | |
| (2R)-2-Hydroxy-2-methylbutanenitrile | 40799557.29 | 90638788.73 | 155099449.12 | 78219546.40 | |
| (2R,3R)-2-Aminooctadecane-1,3-diol | 347261091.29 | 217859537.16 | 513203268.84 | 371956702.63 | |
| (2R,3R,6R)-3-hydroxy-2-methyl-6-((3R,5S,7R,8R,9S,10S,12S,13R... | 55240506.41 | 66629348.83 | 45051461.81 | 62559512.37 | |
| (2R,3R,6R)-6-((3R,5S,7R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10... | 50466181.97 | 57433796.65 | 45937780.93 | 50044227.64 | |
| (2R,3S)-1-[(7-Methyl-2,3-dihydro-1H-inden-4-yl)oxy]-3-(propa... | 25481438.35 | 6642174.00 | 16578824.41 | 19965399.02 | |
| (2R,3S,6R)-3-hydroxy-2-methyl-6-((3R,5S,7R,8R,9S,10S,12S,13R... | 98395000.82 | 82314172.20 | 70403235.26 | 86515793.54 | |
| 2-((R)-4-((3R,5S,7S,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihyd... | 18646077.77 | 14532958.79 | 6403948.58 | 14784838.83 | |
| (2^R,4R,5^R,6aR,6bS,8aS,8bR,9S,11aS,12aR,12bS)-5^,6a,8a,9-te... | 47591573.47 | 49557735.36 | 66634031.29 | 38913900.50 | |
| (2R,5S)-2-(6-Aminopurin-9-yl)-5-(methylsulfanylmethyl)oxolan... | 17132436.12 | 20213237.62 | 100255817.54 | 47688099.48 | |
| 2R-hydroxy-oleic acid | 27920926.87 | 9893425.98 | 18845994.35 | 22480476.01 | |
| (2S)-2-(4-Chloroanilino)propanoic acid | 4815602067.18 | 3111205277.00 | 3695995461.15 | 4025416362.33 | |
| (2S,2^S)-Pyrosaccharopine | 78531639.70 | 103099986.90 | 83417065.95 | 116465044.27 | |
| (2S,3S,7S,10S)-3,7,10-trimethyldodecahydrocyclopenta[b]quino... | 7689629.71 | 6669248.57 | 7364311.52 | 6248238.27 | |
| (2S,4R)-p-Mentha-1(7),5-dien-2-ol acetate | 30292608.09 | 18550741.42 | 27634725.90 | 22408553.91 | |
| (2S,6R,7S,8S)-2-allyl-7-(but-3-en-1-yl)-1-azaspiro[5.5]undec... | 21123919.48 | 14992728.96 | 22475029.60 | 18112277.02 | |
| (2Z)-2-[(E)-6-(hydroxymethyl)-2,4,8,10-tetramethyldodec-2-en... | 42866763.92 | 9782011.58 | 20332917.06 | 24484766.43 | |
| 3-(2,4-Dihydroxyphenyl)propanoic acid | 26869625.76 | 34497877.02 | 21958310.09 | 13424145.12 | |
| 3-(2-methylpropyl)-3a,4,5,6-tetrahydro-2-benzofuran-1(3h)-on... | 32283546.19 | 13780973.66 | 25834924.55 | 26850952.00 | |
| 3-[[(2S)-2,4-Dihydroxy-3,3-dimethylbutanoyl]amino]propanoic ... | 23308623.71 | 18960968.41 | 30004172.58 | 23027480.07 | |
| 3,3^,5,5^-Tetramethylbenzidine | 8417558.59 | 5206927.84 | 9533749.27 | 8233662.41 | |
| 3,3^-Iminodipropionitrile | 656203449.42 | 544795431.32 | 631576401.40 | 507338096.09 | |
| 3-[4-Methyl-1-(2-Methylpropanoyl)-3-Oxocyclohexyl]Butanoic A... | 23378006.87 | 14753307.86 | 17501149.29 | 17392476.24 | |
| 3,5,5-Trimethyl-3-cyclohexen-1-one | 49808983.53 | 39518808.55 | 49571252.85 | 46800466.43 | |
| 3,5-dimethoxyphenyl 4-(phenylcarbonyl)piperazinyl ketone | 75743793.96 | 54290702.76 | 58252513.14 | 55465783.20 | |
| 3, 5-Tetradecadiencarnitine | 2638850.41 | 9234541.31 | 971630.61 | 3366896.92 | |
| 3-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolyl)propan-1-ol | 2717291.34 | 3656139.73 | 5111175.67 | 2661348.48 | |
| 3,7-dimethyl-6-octenyl acetate | 25048911.41 | 52846505.87 | 6470603.81 | 24471286.16 | |
| 3a,7a-Dihydroxycholanoic acid | 15937284.56 | 12882154.04 | 14953539.28 | 20959063.00 | |
| 3a-hydroxy-5b-cholan-24-oate | 32454410.58 | 32251072.65 | 37736345.79 | 34678072.54 | |
| 3alpha,12alpha-Dihydroxy-5beta-chola-7,14-dien-24-oic Acid | 148738051.88 | 108414984.81 | 173569980.26 | 129975286.01 | |
| 3alpha,12alpha-Dihydroxy-5beta-chola-7,9(11)-dien-24-oic Aci... | 412691777.31 | 192520399.96 | 512189715.93 | 388894323.50 | |
| 3alpha,12alpha-Dihydroxy-6-oxo-5beta-chol-7-en-24-oic Acid | 118276872.99 | 117459553.91 | 183746908.77 | 140556546.65 | |
| 3alpha,12beta-Dihydroxy-5alpha-cholan-24-oic Acid | 64020622.50 | 219161053.91 | 303899166.72 | 269810031.64 | |
| 3.alpha.,7.alpha.,12.alpha.-Trihydroxycholestanoic acid | 7927674.87 | 13850538.27 | 7397886.03 | 10771768.58 | |
| 3alpha-Hydroxy-12-oxo-5beta-chola-7,9(11)-dien-24-oic Acid | 56724406.90 | 65771587.29 | 108883119.37 | 79164925.64 | |
| 3alpha-Hydroxy-15-oxo-5beta-chol-8-en-24-oic Acid | 499489516.14 | 503080516.35 | 803102328.35 | 651270248.47 | |
| 3alpha-Hydroxy-7,12-dioxo-5beta-cholan-24-oic Acid | 20254787.04 | 13947076.85 | 17847339.78 | 18474714.78 | |
| (3aS,5R,5aS,8aS,9aR)-5,8a-dimethyl-1-methylidene-3a,4,5,5a,6... | 20629925.33 | 3679589.26 | 12690224.69 | 2077170.40 | |
| (3beta,5alpha,6alpha,7alpha,22E,24R)-5,6-Epoxyergosta-8,14,2... | 2901203.76 | 1634587.57 | 7452320.73 | 2378428.65 | |
| 3beta,7alpha-Dihydroxy-12-oxo-5alpha-cholan-24-oic Acid | 119214740.65 | 109510218.63 | 230252166.41 | 143427362.81 | |
| 3-beta-Hydroxy-4-beta-methyl-5-alpha-cholest-7-ene-4-alpha-c... | 47029788.43 | 34592265.73 | 34704873.45 | 12722969.86 | |
| 3-beta-Hydroxy-4-beta-methyl-5-alpha-cholest-7-ene-4-alpha-c... | 4550721.75 | 3998455.73 | 6588509.73 | 2662573.98 | |
| 3beta-Hydroxy-5alpha,6alpha-epoxy-9-oxo-9,10-seco-5-cholest-... | 25008772.54 | 20000463.37 | 22561840.79 | 17296265.73 | |
| 3.beta.-Hydroxy-5-cholenoic acid | 39667545.15 | 38570665.48 | 46866544.97 | 46359905.78 | |
| 3-ethyl-4-hydroxy-5,7-dimethylhydroquinolin-2-one | 22322774.22 | 16086556.17 | 20905422.22 | 17591204.82 | |
| 3-Heptylpyridine | 15555106.49 | 31421212.48 | 38228872.71 | 28702635.42 | |
| 3-hexenedioic acid | 190939732.87 | 177509878.37 | 227588030.67 | 178411162.70 | |
| 3h-Sialic acid | 106982927.96 | 131304690.94 | 140966400.51 | 167728158.60 | |
| 3-Hydroxy-11Z-octadecenoylcarnitine | 3121136.55 | 9495049.95 | 3418268.45 | 2399545.22 | |
| 3-Hydroxy-4-methoxycinnamic acid | 69776658.85 | 43134635.00 | 59096393.69 | 49471193.27 | |
| 3-Hydroxy-4-(Succin-2-Yl)-Caryolane Delta-Lactone | 4331013.00 | 2646945.63 | 2805686.26 | 969517.05 | |
| 3-hydroxy-5,5,8a-trimethyl-3,4,4a,6,7,8-hexahydronaphthalene... | 24863717.56 | 13230878.87 | 27855013.89 | 25823538.32 | |
| 3-Hydroxy-9Z-octadecenoylcarnitine | 818670.72 | 15351521.91 | 2124324.78 | 1602824.78 | |
| 3-Hydroxybenzyl alcohol | 25859486.42 | 22591275.56 | 27916366.73 | 25528720.27 | |
| 3-Hydroxy-cis-5-tetradecenoylcarnitine | 3998972.57 | 7176710.44 | 3279531.80 | 1880714.59 | |
| 3-Hydroxykynurenamine | 8016474.30 | 6891014.47 | 5738685.27 | 1777582.46 | |
| 3-Hydroxy-N,N,N-trimethyl-1-propanaminium chloride | 3147384699.62 | 2322967381.58 | 1334897821.06 | 2234256361.59 | |
| 3-Hydroxyoctadecanoylcarnitine | 5295616.87 | 8875902.36 | 5858689.16 | 4450127.53 | |
| 3-Hydroxyquinolin-2(1h)-One | 48939739.06 | 34191922.58 | 21029778.72 | 31972535.88 | |
| 3-hydroxytetradeca-5,8,11-trienoic acid | 40252211.68 | 14795757.11 | 31834482.48 | 31248895.10 | |
| 3-hydroxytetradeca-6,8,10-trienoic acid | 23397796.62 | 18224874.79 | 23443896.16 | 24929462.06 | |
| 3-isobutyl-6-(1-hydroxy-2-methylpropyl)-2(1H)-pyrazinone | 44596079.88 | 30126269.94 | 22609204.03 | 28343726.81 | |
| 3-ketosphinganine | 42828671.09 | 101067889.03 | 50501145.20 | 45671042.53 | |
| 3-Methyl-1-pentyn-3-ol | 1485332975.31 | 1200723656.19 | 960124455.43 | 1102595591.35 | |
| (3-Methyl-2-butenyl)-benzene | 39240678.82 | 38013736.15 | 41091167.32 | 39333378.17 | |
| 3-Methyl-2-Oxindole | 101111230.04 | 115089109.22 | 22045301.43 | 84095404.63 | |
| 3-Methylbenzyl alcolhol | 65536649.01 | 64911324.50 | 70925970.24 | 69095954.86 | |
| 3-Methylbutylamine | 10707181.69 | 23529497.94 | 41320454.40 | 17704965.03 | |
| 3-Methylcytidine | 28621666.54 | 25705999.93 | 37010632.89 | 43489958.50 | |
| 3-Methyldioxyindole | 26363097.77 | 10336604.70 | 13968444.47 | 25309312.08 | |
| 3-O-Acetyldiosgenin | 38784218.86 | 38000709.58 | 54578764.23 | 48533602.43 | |
| 3-(Octyloxy)propan-1-amine | 301441070.65 | 293368887.00 | 277685128.22 | 271675962.77 | |
| 3-Oxo-2-(2-entenyl)cyclopentaneoctanoic acid | 214349051.14 | 86515193.72 | 127850828.07 | 134615892.34 | |
| 3-Oxo-5beta-chola-7,11-dien-24-oic Acid | 186179098.38 | 323043336.22 | 260243450.09 | 311704880.08 | |
| 3-Oxo-5beta-chola-7,9(11)-dien-24-oic Acid | 59799968.38 | 84335809.16 | 51021851.15 | 61253043.47 | |
| 3-Oxo-5beta-chola-8(14),11-dien-24-oic Acid | 213730848.35 | 239101890.67 | 251915437.97 | 215073928.13 | |
| 3-Oxobutanoylcarnitine | 201934334.82 | 106530784.36 | 222594744.76 | 181174301.14 | |
| 3-Oxocholic acid | 73735899.73 | 38606485.42 | 42540299.58 | 70533227.41 | |
| 3-Oxohexadecanoic acid | 8789294.36 | 5146925.27 | 6690756.73 | 7535603.95 | |
| 3-Palmitoyl-sn-glycerol | 23045297.72 | 29435889.41 | 11883841.00 | 13806839.20 | |
| 3-Polyprenyl-4-hydroxy-5-methoxybenzoate | 27672345.06 | 20886240.69 | 20409767.56 | 25105286.67 | |
| 3-Propyl-1H-pyrazole | 65589718.05 | 72271339.85 | 69752718.94 | 68290736.91 | |
| 3-propyl acrolein | 1595034850.79 | 1579608751.34 | 1447399049.51 | 1681979193.12 | |
| (3R)-3-((3R,5R,6S,8S,9S,10R,13R,17R)-3,6-dihydroxy-10,13-dim... | 56356442.38 | 57659351.27 | 71043041.47 | 68330908.27 | |
| (3R)-3-((3R,5S,7R,8R,9S,10S,13R,17R)-3,7-dihydroxy-10,13-dim... | 84488931.45 | 86687056.34 | 95458419.05 | 109634979.01 | |
| (3R)-3-((3R,5S,7R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-... | 63960351.40 | 70501670.76 | 41969215.50 | 65747130.77 | |
| (3R,5S,7R,9S,10S,12S,13R,14S,17R)-10,13-dimethyl-17-((R)-6-m... | 37277446.35 | 23554939.61 | 43321110.59 | 39204807.78 | |
| (3S,4R,8S,10R,13R)-10,13-Dimethyl-17-(6-methylheptan-2-yl)-2... | 52598515.36 | 66815244.79 | 137041564.64 | 77450932.72 | |
| (3S,5S)-3,5-Diaminohexanoate | 29446982.40 | 52458748.79 | 53957167.29 | 43876175.16 | |
| (3S,5S,5aR,8aR)-3,5,7-trimethyl-2,2a,3,4,5,5a,6,8a-octahydro... | 13008201.14 | 21255771.57 | 27169752.51 | 21149446.02 | |
| 3S,7,11-Trimethyl-6,10-dodecadienoic acid | 325707081.29 | 85836254.16 | 221595083.88 | 223030297.26 | |
| 4-(1,3-Dihydroxy-4,4,5,5-tetramethyl-imidazolidin-2-yl)benzo... | 13597553.99 | 18389439.22 | 10934344.56 | 10846407.99 | |
| 4,1-Benzoxazepine | 98004780.11 | 44730257.04 | 76058794.04 | 80755484.79 | |
| 4-[(2,4-Dihydroxy-3,3-dimethylbutanoyl)amino]butanoic acid | 9743479.82 | 20917814.64 | 26868224.14 | 20117265.53 | |
| 4-(2,5-Diethoxy-4-nitrophenyl)morpholine | 26885236.35 | 25355844.72 | 11886712.45 | 23821011.90 | |
| 4-(2-Aminophenyl)-2,4-dioxobutanoic acid | 3618097493.81 | 2508926655.93 | 3350372460.97 | 3404404647.32 | |
| 4-[3]-ladderane-butanoic acid | 2265853.65 | 1727364.03 | 2196563.20 | 2465854.15 | |
| 4-(3-Pyridin-2-yl-[1,2,4]oxadiazol-5-yl)-butyric acid | 17500847.16 | 11081105.32 | 18227398.82 | 15547122.05 | |
| 4,4alpha,5,6-Tetrahydro-7-methyl-2(3H)-naphthalenone | 45184535.88 | 14644896.39 | 30412786.33 | 33805004.30 | |
| 4,4-dimethyl-14alpha-formyl-5alpha-cholesta-8,24-dien-3beta-... | 4508568.03 | 19869458.99 | 8431747.89 | 9023178.43 | |
| 4,4-Dimethylcholesta-8,14,24-trienol | 94152013.13 | 51085369.11 | 129817047.84 | 79404147.73 | |
| 4,5-(methanoxyethano)isolongifol-4-ene | 7790887.55 | 5921268.06 | 7459484.42 | 6878887.95 | |
| 4,6,7-Trihydroxy-1,2,3,4-tetrahydroisoquinoline | 15734510.50 | 41927544.33 | 25685266.35 | 53394391.41 | |
| 4,6-Dihydroxyquinoline | 848648990.11 | 609474367.07 | 834093731.11 | 815180248.48 | |
| 4,8,12,15-Octadecatetraenoic acid | 88729959.92 | 38868010.70 | 50359822.34 | 55435377.24 | |
| 4,8-Dimethyl-3,7-nonadien-2-one, cis- | 102310567.40 | 62886498.15 | 72576477.51 | 74132015.37 | |
| 4a-Carboxy-4b-methyl-5a-cholesta-8,24-dien-3b-ol | 23525654.04 | 16844745.77 | 31693328.50 | 24534322.64 | |
| 4-acetamidobutanoate | 137063393.90 | 128573265.85 | 123028498.63 | 141418825.78 | |
| 4alpha-hydroxymethyl-4beta-methyl-5alpha-cholesta-8,24-dien-... | 47298041.84 | 58810221.54 | 62133093.62 | 32191283.01 | |
| 4alpha-Hydroxymethyl-4beta-methyl-5alpha-cholesta-8-en-3beta... | 5314386.06 | 7367304.09 | 10183576.96 | 5973996.18 | |
| 4a-Methylzymosterol-4-carboxylic acid | 19026351.56 | 12530823.70 | 36297097.36 | 16514633.19 | |
| 4-Aminobenzoic acid | 57834947.93 | 46963107.18 | 52901264.67 | 56770394.82 | |
| 4-(Butylamino)benzoic acid | 25833811.84 | 33590297.48 | 28293297.23 | 29424739.49 | |
| 4-Deoxypyridoxine | 15949088.11 | 13047406.50 | 14039447.59 | 17894415.91 | |
| (4E,14Z)-2-Aminooctadeca-4,14-diene-1,3-diol | 28040756.51 | 21928953.04 | 23723108.64 | 16087739.68 | |
| (4E,7E,10E,13E)-Hexadeca-4,7,10,13-tetraenoic acid | 85592751.55 | 48064795.54 | 78532116.30 | 76109672.09 | |
| (4E,8E,10E-d18:3)sphingosine | 12387096.02 | 1534084.94 | 11256815.89 | 3648961.03 | |
| 4-Ethoxy-4-oxobut-2-enoic acid | 122885524.00 | 118548472.12 | 129288547.28 | 105854879.04 | |
| 4-Ethoxybenzaldehyde | 7862968.28 | 4745399.91 | 11408620.67 | 4363240.31 | |
| (4-formyl-9-methoxy-5-methylbenzo[f][1]benzofuran-3-yl)methy... | 21075398.74 | 39227412.52 | 43666410.90 | 36366910.41 | |
| [4]-Gingerdiol | 266055883.20 | 178766005.28 | 102487768.53 | 183539513.18 | |
| 4-Heptanone | 118334778.66 | 220991918.03 | 143691301.68 | 103021467.12 | |
| 4-Hexyloxyaniline | 24972443.41 | 22232096.90 | 36143864.58 | 29567113.04 | |
| 4-Hydroxy-1-(2-hydroxyethyl)-2,2,6,6-tetramethylpiperidine | 76090362.20 | 55919286.55 | 74403431.94 | 62443962.34 | |
| 4-Hydroxy-6-Methyl-2-Pyrone | 31210032.25 | 35527208.29 | 34725659.08 | 10310670.84 | |
| 4-Hydroxy-6-Methylpyran-2-One | 35215962.17 | 33087152.79 | 31068247.02 | 25289520.79 | |
| 4-Hydroxybenzaldehyde | 38247001.99 | 22207944.39 | 37164977.60 | 37575424.34 | |
| 4-hydroxyestradiol | 20373966.39 | 18159523.94 | 9401577.39 | 9325858.17 | |
| 4-hydroxysphinganine | 33611214.36 | 30336002.97 | 33876298.65 | 34495003.22 | |
| 4-Methoxybenzyl chloride | 22425017.66 | 16359225.33 | 15671042.41 | 16572630.38 | |
| 4-methyl-3^-(4-methyl-5-oxooxolan-2-yl)-octahydrospiro[oxola... | 8399085.19 | 7342398.92 | 9574230.94 | 8735388.93 | |
| 4-Methyl-3-penten-2-one, 9CI | 3725802260.70 | 2121336012.74 | 4668881779.07 | 4985567194.31 | |
| 4-Methyl-4-penten-2-one | 2003216847.99 | 2064504630.98 | 2037451384.69 | 2049831815.98 | |
| 4-Methylethcathinone | 38113957.59 | 30294815.11 | 35747799.35 | 30888073.91 | |
| 4-Methylpentanoylcarnitine | 4236290.04 | 3783919.78 | 2353558.76 | 3146211.42 | |
| 4-oxo-2-Nonenal | 24027489.09 | 18808116.57 | 21658925.82 | 23915829.70 | |
| 4-Pentylaniline | 10438105.42 | 21917603.07 | 26934209.25 | 20607743.44 | |
| 4.Phaeophorbide a | 749511.58 | 1894316.46 | 3691068.61 | 763546.92 | |
| 4-Piperidinemethanol, a,a-diphenyl- | 9602664.94 | 1274892.59 | 2505084.00 | 4320259.88 | |
| 4-Piperidinol, 1-hydroxy-2,2,6,6-tetramethyl- | 36315183.51 | 13020514.43 | 10804819.66 | 13070403.09 | |
| 4-Pyridoxate | 22808460.76 | 15952535.59 | 21421316.58 | 22008330.27 | |
| 4-Pyridoxic acid | 180700976.83 | 102528717.57 | 165983848.22 | 154531728.75 | |
| 4-Quinolinecarboxylic Acid | 165661200.55 | 109420333.57 | 203258856.38 | 181073211.58 | |
| 4-(quinuclidin-2-ylmethyl)benzene-1,2-diol | 31306569.24 | 7839334.09 | 10314206.68 | 15962106.53 | |
| (4R)-4-((1R,3S,5S,7R,9S,10S,12S,13R,14S,17R)-1,3,7,12-tetrah... | 119084271.07 | 47436502.92 | 58248199.61 | 91920015.49 | |
| (4R)-4-((2S,3S,5R,7R,9S,10S,12S,13R,14S,17R)-2,3,7,12-tetrah... | 584531.86 | 1614896.50 | 216549.78 | 505819.99 | |
| (4R)-4-((3R,5R,6R,7R,8S,9S,10R,13R,17R)-3,6,7-trihydroxy-10,... | 401287169.35 | 469348799.50 | 487725152.46 | 579692175.61 | |
| (4R)-4-((3R,5R,6R,7R,9S,10R,13R,14S,17R)-3,6,7-trihydroxy-10... | 185977719.67 | 268239390.25 | 314260741.13 | 269210485.66 | |
| (4R)-4-((3R,5R,6S,7R,9S,10R,12S,13R,14S,17R)-3,6,7,12-tetrah... | 179839775.86 | 116495133.51 | 269666569.58 | 175646519.30 | |
| (4R)-4-((3R,5R,6S,7R,9S,10R,12S,13R,17R)-3,6,7,12-tetrahydro... | 364158057.88 | 582556655.38 | 558469722.90 | 577905911.32 | |
| (4R)-4-((3R,5R,6S,7R,9S,10R,13R,14S,17R)-3,6,7-trihydroxy-10... | 33511274.73 | 35694109.44 | 44773033.69 | 43093371.14 | |
| (4R)-4-((3R,5R,6S,7S,9S,10R,13R,17R)-3,6,7-trihydroxy-10,13-... | 990409225.39 | 858632354.83 | 832529653.95 | 883964807.15 | |
| ((4R)-4-((3R,5R,7R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy... | 1479024.75 | 7072679.76 | 1705681.85 | 2301012.24 | |
| (4R)-4-((3R,5S,6R,7R,9S,10R,12S,13R,14S,17R)-3,6,7,12-tetrah... | 19968001.84 | 20923827.78 | 16260964.49 | 20244209.58 | |
| (4R)-4-((3R,5S,7S,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-... | 578730131.61 | 889221338.95 | 885167221.66 | 1196976607.26 | |
| (4R)-4-((3R,5S,7S,9S,10S,12S,13R,17R)-3,7,12-trihydroxy-10,1... | 1194847266.60 | 2622741815.13 | 1407174486.89 | 2228528264.58 | |
| (4R)-4-((3S,5S,7S,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-di... | 198091682.70 | 92139043.93 | 238589262.97 | 182792279.70 | |
| (4R)-4-((5S,7R,9S,10S,13R,14S,17R)-7-hydroxy-10,13-dimethyl-... | 119614506.52 | 123020804.28 | 123528926.66 | 54121157.98 | |
| (4R,E)-4-((3R,5R,6S,7R,9S,10R,13R,14S,17R)-3,6,7-trihydroxy-... | 6533334.14 | 47563886.94 | 8271264.03 | 15132653.09 | |
| 4-Vinylphenol | 34885707.75 | 30969225.79 | 32959435.18 | 19795977.23 | |
| (4Z)-Tetradec-4-enoylcarnitine | 6758110.32 | 24489132.13 | 4570208.47 | 12025727.35 | |
| 5-(1-oxopropan-2-yl)isolongifol-5-ene | 63380378.60 | 12498634.94 | 13909421.45 | 30675758.15 | |
| 5-(2^-Carboxyethyl)-4,6-Dihydroxypicolinate | 6952093.95 | 32572161.89 | 9060994.88 | 11867566.02 | |
| 5-(3-Pyridyl)-2-hydroxytetrahydrofuran | 10878896792.54 | 6988405701.89 | 7816889878.37 | 9058201606.81 | |
| 5-5^-Dehydrodiferulic acid | 6817227.96 | 6984435.36 | 6200025.71 | 5481948.70 | |
| 5,5-Dimethyl-2-phenylmorpholine | 24032863.14 | 20309476.06 | 18144321.07 | 17687958.07 | |
| 5,6-dihydrothymine | 12893891.39 | 16400530.54 | 13242705.04 | 9806002.32 | |
| 5.6-dimethoxy-3-methyl-2- hydroxypropylpyridin-4-ol | 117960157.69 | 68720449.95 | 108836706.38 | 88937804.08 | |
| 5,7-dihydroxy-2-(4-hydroxyphenyl)-8-[3,4,5-trihydroxy-6-(hyd... | 11365912.75 | 6447966.17 | 1320458.06 | 7340032.51 | |
| 5,8,11-Eicosatrienoic acid | 16964560.15 | 13191609.71 | 17394426.90 | 11211811.88 | |
| 5-Acetamidovalerate | 38140211.57 | 14926449.69 | 33530310.87 | 31247633.47 | |
| 5-Acetyl-2,4-dimethyloxazole | 10954476.36 | 8307463.73 | 11644717.07 | 10629751.39 | |
| 5alpha-Stigmastan-3,6-dione | 8846707.47 | 11314896.01 | 18111139.03 | 12200013.87 | |
| 5^-Amino-5^-deoxyadenosine | 32566690.26 | 8811280.40 | 16936992.32 | 19017728.83 | |
| 5-Aminolevulinic acid | 48455872.86 | 26978419.57 | 44464551.48 | 23186577.68 | |
| 5-Aminopentanoate | 220702300.90 | 133873843.47 | 64851524.66 | 117149542.19 | |
| 5-Aminovaleric acid | 61544552.21 | 47706490.64 | 59337778.07 | 59048427.93 | |
| 5beta-Chola-3,8(14),11-trien-24-oic Acid | 3824860142.08 | 3962022071.82 | 4585447883.91 | 4659629154.09 | |
| 5beta-Cholestane-3alpha,7alpha,12alpha,26-tetrol | 4316499.32 | 1860358.76 | 6756653.74 | 2713936.25 | |
| 5beta-Cholestane-3alpha,7alpha,26-triol | 5679597.40 | 1545372.48 | 6749589.71 | 2452804.79 | |
| 5-Butyl-3,4-dimethyl-2-furannonanoic acid | 10964224.66 | 6419236.61 | 42202961.17 | 7868265.46 | |
| 5-Butyl-4-hydroxy-3-methyl-6-(3-methyl-2-buten-1-yl)-2(1H)-p... | 62074567.32 | 10665448.00 | 20353582.85 | 23915510.45 | |
| 5^-Deoxyadenosine | 397325119.33 | 122198515.51 | 251953254.29 | 277550881.53 | |
| 5-Ethyl-2-methylthiazole | 30510941.83 | 29197279.37 | 22750534.43 | 17011524.73 | |
| 5-Hydroxy-2-(1-hydroxy-5-methyl-4-hexenyl)benzofuran | 7201137.21 | 9001720.02 | 13000988.11 | 10763289.71 | |
| 5-Hydroxy-3,4-dihydrocarbostyryl | 82861449.69 | 35292696.78 | 44966541.57 | 89511573.54 | |
| 5^-Hydroxy-3^-methoxysativan | 31196957.37 | 15669355.72 | 23986523.98 | 28156814.82 | |
| 5-hydroxycalamenene | 47237368.36 | 111510483.03 | 115390200.68 | 89877758.04 | |
| 5-hydroxyculmorin | 9985204.32 | 10490049.17 | 13798865.48 | 7412509.74 | |
| 5-(hydroxyimino)-2,15-dimethyltetracyclo[8.7.0.0<2,7>.... | 10376810.68 | 9398616.07 | 13263049.07 | 11675350.00 | |
| 5-Hydroxyindole-2-carboxylic acid | 50093643.02 | 28622328.60 | 41369788.92 | 46226160.54 | |
| 5-Hydroxyindole-3-acetic acid | 2071879701.98 | 1162230609.55 | 1951898197.43 | 1857871809.68 | |
| 5-Hydroxykynurenamine | 10757224.31 | 10872662.01 | 12083455.85 | 9093046.13 | |
| 5-Hydroxy-L-tryptophan | 25542670.03 | 8518946.67 | 37990616.20 | 13451706.98 | |
| 5-Hydroxymaltol | 115708413.75 | 67500529.33 | 64265332.13 | 66818738.16 | |
| 5-Hydroxyoxindole | 3498239.25 | 3792475.23 | 6083912.55 | 2721074.45 | |
| 5-hydroxytrideca-7,9-dienoic acid | 12461869.05 | 4651836.13 | 6992845.62 | 8575850.49 | |
| 5-Hydroxytryptophol | 58477600.01 | 30039908.02 | 79283371.38 | 69699901.09 | |
| 5-keto stearic acid | 241452839.92 | 114446481.69 | 271163513.57 | 201298135.23 | |
| 5-Methoxytryptophan | 110637187.98 | 56098482.91 | 71333991.07 | 82196080.53 | |
| 5-Phosphoribosylamine | 68622353.18 | 50146084.84 | 73602120.56 | 66984215.66 | |
| (5R)-5-((3R,5S,7R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-... | 26240732.82 | 21589853.17 | 53724595.65 | 31750548.60 | |
| (5R,8R)-5-((E)-but-2-en-1-yl)-8-propyl-1,2,3,5,8,8a-hexahydr... | 33624543.66 | 54587205.34 | 67818917.04 | 53127684.58 | |
| (5R,8R)-5-((E)-hepta-4,6-dien-1-yl)-8-methyloctahydroindoliz... | 15530592.37 | 13190887.10 | 17941470.74 | 15389004.85 | |
| 5(Z),11(Z),14(Z)-Eicosatrienoic acid | 1955054.32 | 9780019.77 | 5146978.52 | 4142804.54 | |
| (5Z)-4,4-difluoro-1alpha,25-dihydroxyvitamin D3 / (5Z)-4,4-d... | 3853662.24 | 1922352.82 | 4924001.73 | 3314115.38 | |
| (5Z)-7-[(1R)-2-[(1E,3S)-3-Hydroxyoct-1-en-1-yl]-5-oxocyclope... | 2570711.25 | 4512490.65 | 10250693.87 | 6474164.82 | |
| (5Z,7E)-9,10-Seco-5,7,10(19)-cholestatriene | 86908425.60 | 45440885.43 | 72000516.73 | 58358492.67 | |
| 5(Z),8(Z),11(Z)-Eicosatrienoic acid methyl ester | 14840831.82 | 12636754.35 | 20856764.25 | 12621943.83 | |
| 6,11-dioxododecanoic acid | 33367611.77 | 41562324.94 | 36266709.06 | 32713167.91 | |
| 6-[3-[(3,4-dimethoxyphenyl)methyl]-4-methoxy-2-(methoxymethy... | 143762861.75 | 131648832.61 | 150933643.95 | 142515801.85 | |
| 6,3^,4^-Trimethoxyflavanone | 19144471.62 | 17846520.08 | 30308257.74 | 20188387.56 | |
| 6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic ac... | 16874089.86 | 13141731.86 | 23648133.94 | 20369593.32 | |
| 6,8-Dihydroxypurine | 527566029.07 | 467934171.75 | 699825734.11 | 746883387.93 | |
| 6-aminochromen-2-one | 267145705.24 | 126937177.90 | 303132389.10 | 251716962.00 | |
| (6aR,12aR)-12a-hydroxy-2,3,9-trimethoxy-6,6a-dihydrochromeno... | 614819.60 | 6206373.03 | 1748773.22 | 2406563.84 | |
| (6beta,22E)-6-Hydroxystigmasta-4,22-dien-3-one | 5246909.04 | 6679295.98 | 8926373.24 | 5237129.55 | |
| 6-(Dipropylamino)-5,6,7,8-tetrahydronaphthalene-1,2-diol | 6591509.68 | 5376654.85 | 8391896.82 | 7986078.93 | |
| (6E)-2,6,10-trimethyldodeca-6,11-diene-2,3,10-triol | 18411732.36 | 11096036.82 | 13711904.12 | 22177807.95 | |
| (6E,8E,10S,12Z)-10-Hydroxy-3-oxooctadecatrienoic acid | 126018111.61 | 78765440.24 | 100973775.32 | 112504120.32 | |
| 6E,8E,12E,14E-Hexadecatetraen-10-ynoic acid | 12356655.87 | 9454325.37 | 10921510.55 | 13438041.94 | |
| 6-ethoxypyridine-3-carboxylic acid | 54867389.90 | 36031113.98 | 54546214.20 | 49402851.08 | |
| 6-Hydroxynicotinic acid | 400328899.27 | 289589600.16 | 182103283.94 | 284302321.25 | |
| 6-Hydroxynon-4-enoylcarnitine | 231842037.42 | 150368222.80 | 205097490.28 | 184159147.89 | |
| 6-Hydroxynon-6-enoylcarnitine | 12637938.82 | 23204769.54 | 14195626.94 | 21719059.02 | |
| 6-Methylgingediol | 51415761.33 | 34560277.32 | 51109029.05 | 56459308.05 | |
| 7-[2,6-dimethyl-8-(2-methylbutanoyloxy)-1,2,6,7,8,8a-hexahyd... | 21234634.40 | 17657561.91 | 17279834.08 | 26151054.47 | |
| 7,2^-Dihydroxy-5,8-dimethyl-4^,5^-methylenedioxyflavan | 58659614.16 | 15505335.42 | 25272131.53 | 33890556.52 | |
| 7,4^-Dimethoxy-6-C-methylflavanone | 29466693.58 | 17442246.44 | 12390652.10 | 19979060.07 | |
| (7,8-dimethoxy-2,2,3-trimethyl-2,3-dihydro-1H-benzo[d]azepin... | 25046114.75 | 15124852.91 | 20567779.21 | 22051330.34 | |
| 7a,12a-Dihydroxy-3-oxo-4-cholenoic acid | 76369394.11 | 56999126.71 | 71277296.30 | 73242187.95 | |
| 7a,12a-Dihydroxy-cholestene-3-one | 12416934.00 | 17475046.65 | 18361738.07 | 17488956.50 | |
| 7 alpha,26-Dihydroxy-4-cholesten-3-one | 8633435.96 | 27773127.31 | 13359424.34 | 10343603.09 | |
| 7alpha-Hydroxycholesterol | 5908419.18 | 9169537.33 | 10514534.07 | 4588955.88 | |
| 7-dehydrocholesterol | 7858087.99 | 22345044.95 | 16823516.63 | 14309308.59 | |
| 7-Epijasmonic acid | 127621509.20 | 68642550.57 | 105928711.98 | 112810596.23 | |
| 7-Ethyl-5,6-dihydro-1,4-dimethylazulene | 1032337.71 | 1068236.14 | 2247146.17 | 1319501.76 | |
| 7-Hydroxy-2^,4^,5^-trimethoxyisoflavan | 9184207.84 | 7875146.95 | 7924002.82 | 7818803.73 | |
| 7-Hydroxy-4-cholesten-3-one | 30503686.21 | 55819910.14 | 91658139.98 | 64490609.46 | |
| 7-Ketocholesterol | 6074989.28 | 10208131.70 | 13033794.98 | 7708925.61 | |
| 7-Oxocholesterol | 9627095.04 | 33884612.90 | 26071664.01 | 18770278.74 | |
| 7-Oxomeptazinol | 153815254.22 | 38873523.25 | 17550645.42 | 71221070.86 | |
| (7R,8R,E)-6-((R,4E,6E)-2,5-dimethylocta-4,6-dien-1-ylidene)-... | 5937758.87 | 5286491.85 | 4989309.19 | 5407067.87 | |
| (7R,8R,E)-8-methyl-6-(2-methylpropylidene)octahydroindolizin... | 18414840.28 | 10254572.45 | 26344174.70 | 18779866.71 | |
| 7S,8S-DiHOTrE | 12881781.30 | 8548802.68 | 8436030.50 | 15570372.77 | |
| 8,12-octadecadienoic acid | 84786093.75 | 33632804.38 | 82469019.11 | 71886201.50 | |
| (±)8,9-DHET | 10492034.29 | 5789796.89 | 11437663.29 | 7967292.88 | |
| 8-Azabicyclo[3.2.1]octane | 155738958.14 | 220083995.04 | 169740076.86 | 192197543.92 | |
| 8-Desmethyleucalyptin | 315515930.02 | 180788693.96 | 205172320.61 | 254137633.68 | |
| 8-Heptadecenal | 8617760.20 | 4887077.72 | 9644012.68 | 6964772.58 | |
| 8-HETE | 36579658.59 | 22311812.87 | 31424534.68 | 33481592.93 | |
| 8-HETrE | 14842796.07 | 7884466.09 | 20320190.35 | 10966602.52 | |
| 8-hydroxy-11-(hydroxymethyl)-1,5,11-trimethyltricyclo[6.2.1.... | 39334781.91 | 24571825.22 | 36242107.19 | 37941239.58 | |
| (.+/-.)-8-Hydroxy-4Z,6E,10Z,13Z,16Z,19Z-docosahexaenoic acid | 59700905.30 | 33467054.09 | 25314449.80 | 40227682.19 | |
| 8-hydroxy-6,7-dimethoxychromen-2-one | 81526573.40 | 24198522.64 | 26943038.00 | 29141147.81 | |
| 8-hydroxy-8-(3-octyloxiran-2-yl)octanoic acid | 860103552.10 | 175409358.73 | 236821008.96 | 475190860.27 | |
| 8-Hydroxyadenine | 336698818.84 | 162411979.08 | 378939292.55 | 297799273.94 | |
| 8S-HODE | 70155688.09 | 35506254.07 | 28036818.26 | 47979133.49 | |
| (8Z)-10-hydroxyhexadec-8-enoic acid | 42223864.96 | 21019436.72 | 16805120.65 | 27755683.52 | |
| 9,10-DiHOME | 41845801.55 | 19439847.31 | 19266650.43 | 28790331.93 | |
| 9,10-Dihydroxystearic acid | 97141932.45 | 36043925.60 | 75939392.75 | 75987466.77 | |
| 9,11-methane-epoxy PGF1alpha | 9554611.39 | 5620505.88 | 13230012.61 | 2527707.13 | |
| 9,12-Octadecadienoic acid (Z,Z)-, methyl ester | 26447849.78 | 1951619.51 | 25731896.01 | 916095.42 | |
| 9,12-Octadecadiynoic Acid | 112987192.54 | 64257566.79 | 113594366.66 | 100270019.82 | |
| 9-acetyl-17-hydroxy-10,14-dimethyl-20-oxahexacyclo[11.9.0.0&... | 20623246.69 | 9049233.86 | 12365559.38 | 9108088.31 | |
| 9(E),11(E)-Conjugated Linoleic Acid | 1033326058.45 | 273088256.89 | 704900604.93 | 786468868.67 | |
| (9E)-octadec-9-enedioic acid | 34365960.72 | 36378858.85 | 18976880.00 | 19956512.50 | |
| 9-Hexadecenoylcarnitine | 807891.58 | 38619113.20 | 14973008.08 | 3843529.00 | |
| 9H-Purine-9-ol | 1166745.62 | 23100756.28 | 599154.68 | 483211.57 | |
| 9-methoxycarbonyldec-9-enoic acid | 55451392.65 | 48560780.04 | 46419988.16 | 56744362.21 | |
| 9-Octadecenamide, (Z)- | 92818260.72 | 80645988.08 | 136857800.58 | 91503226.14 | |
| 9-Oxo-11-(3-pentyloxiran-2-yl)undec-10-enoic acid | 29536900.64 | 27160929.11 | 19127596.34 | 15420289.69 | |
| 9-Oxoode | 159160497.38 | 94908637.30 | 145352803.37 | 135664337.89 | |
| 9-OxoOTrE | 46810472.55 | 37461560.87 | 43485273.71 | 44567235.07 | |
| 9R,10S-EpOME | 591174378.08 | 200343869.99 | 297338180.89 | 323844129.99 | |
| 9S,11R,15S-trihydroxy-2,3-dinor-13E-prostaenoic acid-cyclo[8... | 43060870.96 | 22071740.55 | 42376443.60 | 38419355.60 | |
| 9S,12S,13S-trihydroxy-10E-octadecenoic acid | 8492584.22 | 24694140.87 | 18840099.46 | 13971899.45 | |
| (9S,13S)-10,11-dihydro-12-oxo-15-phytoenoic acid | 135368487.03 | 60613095.46 | 97976480.52 | 110412071.47 | |
| 9(S)-HOTrE | 14857257.38 | 7802965.53 | 14549825.76 | 10521196.78 | |
| 9(S)-HpOTrE | 75288097.82 | 50612121.76 | 71819310.54 | 99871203.81 | |
| 9-Stearolic acid | 10392358.37 | 27408286.01 | 31961133.92 | 22397952.55 | |
| (9Z,11E,13E,15Z)-4-Oxo-9,11,13,15-octadecatetraenoic acid | 89572270.98 | 55145967.54 | 71465293.83 | 88415940.41 | |
| 9(Z),11(E),13(E)-Octadecatrienoic Acid ethyl ester | 7795614.05 | 5544981.19 | 7689784.68 | 3650791.28 | |
| 9(Z),11(E)-Conjugated Linoleic Acid | 5378057.50 | 2317568.07 | 3606603.08 | 2425204.08 | |
| (9Z,12Z)-6-hydroxyoctadeca-9,12-dienoic acid | 476892914.92 | 144429271.58 | 215470773.19 | 319655757.11 | |
| a | 11601177.71 | 11126188.45 | 8328422.97 | 11005804.55 | |
| Abiraterone | 76074247.46 | 20320404.95 | 51093378.92 | 47793697.91 | |
| Abrine | 622258147.10 | 394401129.43 | 386784333.09 | 470692315.97 | |
| Acadesine | 39639015.90 | 49514849.99 | 45158107.79 | 43921611.45 | |
| Acetylcimigenol arabinoside | 21402358.26 | 16463313.71 | 19070128.65 | 16163000.20 | |
| Acetyl tributyl citrate | 19100978.92 | 20470733.86 | 16799830.70 | 31299212.24 | |
| Ac-Tyr-OEt | 15925992.45 | 9172244.26 | 12206742.05 | 6256499.03 | |
| Adenine | 6059308.39 | 4332037.94 | 17423792.97 | 5045783.83 | |
| Adenosine | 7684067.86 | 14163480.10 | 13167728.78 | 12058916.51 | |
| Ala Asn Trp | 17144968.83 | 8603444.91 | 12553203.23 | 13077569.23 | |
| Ala-DCA | 6653562.87 | 4661500.14 | 8034258.75 | 3673395.11 | |
| Ala-Ile | 58616706.32 | 38372076.70 | 37756960.54 | 51653254.64 | |
| Ala Leu Leu | 5846491.52 | 14036762.47 | 9492455.40 | 11169577.14 | |
| Alanylproline | 70119583.00 | 75166939.81 | 83296696.29 | 74191662.63 | |
| albaflavenone | 48406870.45 | 50612785.44 | 59669691.44 | 73901119.53 | |
| alpha-Campholonic acid | 23294935.83 | 14985926.67 | 22854200.80 | 22202467.84 | |
| alpha-Humulene | 23364911.04 | 23731842.06 | 19675004.99 | 16161392.95 | |
| alpha-Ionene | 46405720.23 | 45404364.60 | 46588965.21 | 45633097.72 | |
| alpha-licanic acid | 49682027.93 | 23722987.70 | 30008304.53 | 35285339.96 | |
| Alpha-Linolenoyl ethanolamide | 13871075.91 | 6436296.54 | 12471621.45 | 9603316.78 | |
| alpha-Methyl-m-tyrosine | 46013401.19 | 44888090.53 | 63652918.23 | 53113523.67 | |
| alpha-Methylstyrene | 49308593.26 | 44839534.81 | 54545747.54 | 56169838.26 | |
| alpha-Spinasterol | 26142567.58 | 31863909.62 | 28334803.33 | 63073631.29 | |
| alpha-Tocopherolquinone | 5079485.46 | 3881503.75 | 3657750.80 | 932626.06 | |
| alpha-Tocotrienol | 15457719.98 | 11388403.61 | 26942821.88 | 18832036.20 | |
| Amantadine | 62763988.12 | 51115774.09 | 71268564.98 | 72878177.42 | |
| Aminocarb | 42324479.24 | 1892435.93 | 4733566.01 | 1592839.63 | |
| AmorolfineHCL | 7735728.48 | 27997764.55 | 22887635.71 | 20239782.61 | |
| amyl amine-C11:0 | 7363168.85 | 7452154.88 | 9746836.16 | 7755180.67 | |
| amyl amine-C14:0 | 3836606.41 | 3671812.97 | 5416854.11 | 3989582.98 | |
| amyl amine-C14:1 | 10630463.62 | 6079980.91 | 12881320.23 | 6269270.22 | |
| amyl amine-C15:0 | 15957488.32 | 16128746.39 | 21650121.74 | 17286954.57 | |
| amyl amine-C16:0 | 3422267.54 | 2844327.97 | 5437511.19 | 2768418.06 | |
| amyl amine-C17:1 | 44325336.62 | 49677600.70 | 51129794.07 | 60240171.72 | |
| amyl amine-C18:1 | 11064021.81 | 7135940.64 | 19436687.69 | 6709050.06 | |
| amyl amine-C18:2 | 7976710.37 | 3867599.96 | 15210471.03 | 4180437.87 | |
| Anabaseine | 48944557.26 | 44194191.81 | 73177712.89 | 59359552.22 | |
| Anandamide (20:l, n-9) | 5132671.78 | 8918296.88 | 13779135.78 | 5935830.85 | |
| Angelic acid | 143888542.93 | 91729580.19 | 111945749.78 | 114811145.06 | |
| Anisomycin | 12042888.74 | 7391089.59 | 11046053.16 | 10054284.49 | |
| Apigenin 7,4^-dimethyl ether | 26600221.61 | 18713456.08 | 19525988.53 | 22764554.28 | |
| Arachidonoylthio-PC | 137029508.13 | 128070852.54 | 127049198.31 | 134819597.29 | |
| Arginyl-prolyl-proline | 9093674.53 | 18186652.59 | 11530568.70 | 8954771.36 | |
| Arg Ser Tyr | 61127029.23 | 53510122.88 | 61753469.46 | 66230520.46 | |
| Arg Tyr Ser | 28226282.86 | 33974363.23 | 31808864.57 | 29227280.05 | |
| Asn His Ile | 9970036.66 | 9864162.60 | 10538702.12 | 11964310.80 | |
| Asn His Leu | 9983268.30 | 10009149.30 | 9411960.29 | 12702324.43 | |
| Asn Leu | 36829907.01 | 39105484.06 | 33757006.24 | 40206129.71 | |
| Asparaginylhydroxyproline | 17081107.98 | 11734345.65 | 15819882.37 | 15122360.62 | |
| Asparenyol | 37266300.13 | 28351285.10 | 34797955.30 | 34900584.75 | |
| Aspartic acid | 79933083.63 | 40695757.42 | 63656960.83 | 68404255.05 | |
| Aspergillusenes A | 33942643.02 | 32299698.59 | 33959612.79 | 38846870.21 | |
| Atenolol-desisopropyl | 28244105.21 | 16386601.07 | 24329417.12 | 17069092.06 | |
| Atractylon | 45504097.90 | 11948136.56 | 14250110.34 | 28717805.89 | |
| Austrobuxusin J | 23542139.01 | 20371820.79 | 24152953.13 | 20502572.57 | |
| Avocadene 2-acetate | 220610504.97 | 52081621.13 | 88186434.91 | 126344072.08 | |
| Avocadene Acetate | 168870806.50 | 35465470.07 | 62222919.25 | 87969865.15 | |
| Avocadyne Acetate | 8063869.43 | 6879835.19 | 12387967.65 | 11450736.19 | |
| Azelaic acid | 37119417.99 | 21019117.73 | 31566315.14 | 33692641.00 | |
| Baikiain | 40802104.69 | 48893384.56 | 26809795.28 | 46308468.86 | |
| Batelapine | 49414943.74 | 3761621.32 | 2139161.18 | 32219318.93 | |
| Bemegride | 18739937.05 | 25998255.37 | 16557324.45 | 33459279.72 | |
| Benzaldehyde | 37617452.82 | 42452622.66 | 22928899.49 | 43401570.78 | |
| Benzalkonium | 120907172.44 | 210644944.02 | 714334755.36 | 261418041.89 | |
| Benzalkonium chloride (C12) | 4658116.55 | 25172844.43 | 78457169.82 | 26421721.96 | |
| Benzoic acid | 305388110.62 | 142903896.52 | 204286515.97 | 198548991.00 | |
| Benzyltetradecyldimethylammonium | 1803230.41 | 2127008.17 | 8816757.37 | 2786783.87 | |
| beta-Alanine | 544229173.41 | 629530924.99 | 648514820.34 | 359795736.64 | |
| beta-Lonone | 6619590.34 | 4930606.02 | 9417276.03 | 8262358.71 | |
| beta-Methylstyrene | 74618346.71 | 38305909.13 | 78232837.84 | 62696336.86 | |
| beta-N-Acetylglucosamine | 32350003.22 | 53661005.81 | 71367518.35 | 59581710.80 | |
| beta-Thujaplicin | 24286677.49 | 21522828.70 | 39380055.36 | 18808259.51 | |
| beta-Tocopherol | 4226025.90 | 2459982.59 | 2777736.86 | 502635.79 | |
| beta-tocotrienol | 14961109.12 | 17247204.26 | 23069488.39 | 20070056.65 | |
| Beta-Tyrosine | 3364356463.77 | 2421662116.13 | 2817782940.78 | 3162872309.57 | |
| Bile acid | 131185316.72 | 244971515.18 | 108836439.21 | 245618164.73 | |
| Bilirubin | 255443.43 | 7594477.96 | 2334560.93 | 267031.41 | |
| Biopterin | 6786501.24 | 3469501.68 | 4778893.00 | 5136357.04 | |
| Biotin | 43038107.79 | 10860997.82 | 21774370.99 | 28188777.31 | |
| Bis(2-ethylhexyl)-phthalate | 30759463.24 | 26632126.81 | 24552456.25 | 42034318.68 | |
| Brassicasterol | 3887415.82 | 4299407.04 | 5636804.92 | 2303919.45 | |
| Brassinolide | 24661459.97 | 33932900.67 | 23070778.33 | 25260201.14 | |
| Bufadienolide | 196699822.40 | 320176753.58 | 236354639.27 | 310029087.29 | |
| bufalin | 39261203.58 | 48440289.81 | 53798260.73 | 56982825.22 | |
| (+)-Butaclamol | 52688710.94 | 16972823.19 | 36891158.84 | 31141702.70 | |
| butamben | 35218586.43 | 21543990.68 | 38414397.19 | 35518564.59 | |
| Butyrophenone | 17813422.24 | 15263556.26 | 16142454.95 | 18058457.82 | |
| Butyryl carnitine (isomer of 920) | 109458193.23 | 109247642.23 | 19375447.15 | 71106336.44 | |
| C14Tetradecanoyl-L-Carnitine | 5673243.55 | 29669371.07 | 9423691.31 | 9245707.29 | |
| C16 Sphingosine | 225991859.96 | 243659732.97 | 268442625.69 | 252972319.88 | |
| C18(Plasm)-18:1 PC | 25809512.70 | 16756149.91 | 36666091.55 | 16849671.85 | |
| Cadabicine | 14677194.77 | 6437187.75 | 7226077.33 | 9487822.84 | |
| Cadaverine | 35338740.10 | 3143818.94 | 3228910.81 | 20810599.57 | |
| Calendic acid | 40889269.30 | 29340648.65 | 25111108.30 | 31590230.42 | |
| calicoferol A | 21132284.88 | 23090721.31 | 15417164.85 | 25067751.21 | |
| calicoferol E | 3831161.21 | 7935638.78 | 4602770.13 | 5497827.69 | |
| Cannabinol | 2987602.42 | 7574993.25 | 7301488.98 | 6981884.77 | |
| Capsiamide | 13962904.92 | 11431014.41 | 18768178.56 | 13433349.56 | |
| Carbetapentane | 9174739.56 | 6320820.52 | 10347865.63 | 5648809.44 | |
| Carissic acid | 5827984.16 | 20212297.49 | 12045832.50 | 5311082.39 | |
| Carnosine | 13515962.45 | 8289012.53 | 12646586.20 | 11691017.92 | |
| Carylophyllene Oxide | 197613506.35 | 62677067.66 | 19181958.36 | 92919543.22 | |
| Centperazine | 26147548.15 | 20335711.56 | 18925630.70 | 25836314.92 | |
| Ceramide (18:1/16:0) | 10320233.45 | 7600994.20 | 6261202.33 | 22643015.59 | |
| Cer(d18:0/0:0) | 1508160284.39 | 1632635532.72 | 2507712624.68 | 1776677637.71 | |
| Cer(d18:0/12:0) | 10237402.17 | 8501953.67 | 7143599.60 | 5670202.31 | |
| Cer(d18:0/14:0) | 5574794.65 | 4766471.92 | 6916438.66 | 5002558.97 | |
| Cer(d18:0/16:0) | 10873623.49 | 7669156.63 | 13902400.51 | 6311108.49 | |
| Cer(d18:0/16:0(2OH)) | 15063481.17 | 17206924.52 | 7033637.33 | 6707215.41 | |
| Cer(t18:0/16:0) | 18814023.06 | 17831133.72 | 6280389.41 | 3671971.97 | |
| Cetrimonium | 11192218.29 | 9565230.11 | 15196836.36 | 10377192.15 | |
| Chamuvaritin | 26266514.11 | 17867318.43 | 25358258.51 | 25386359.43 | |
| Chenodeoxycholic Acid | 403167400.04 | 343953282.23 | 385584355.36 | 422512707.28 | |
| Chimyl alcohol | 6835953.23 | 6235223.17 | 6299523.37 | 4301859.81 | |
| Cholest-4,6-Dien-3-One | 4806233.52 | 18155432.77 | 29135513.60 | 17688890.54 | |
| Cholesta-5,8(9)-dien-3beta-ol | 804999.58 | 2826592.02 | 2931627.14 | 2057327.84 | |
| Cholic acid | 421527447.44 | 262137832.66 | 323194531.28 | 344590797.47 | |
| Cimetidine sulfoxide | 19328680.71 | 14578756.45 | 9053945.64 | 13606644.62 | |
| Cinnamic acid | 1212669.35 | 996283.85 | 1066141.51 | 1073047.50 | |
| Cis-11-Eicosenoic acid | 1321940.45 | 595599.70 | 8179211.82 | 1525973.62 | |
| cis-12-Octadecenoic Acid methyl ester | 62376569.35 | 26411835.48 | 93240520.19 | 6125125.87 | |
| cis-12-Oxophytodienoic acid | 104519581.95 | 65413486.60 | 71814733.23 | 95532673.34 | |
| cis-7,10,13,16-Docosatetraenoic acid | 17119444.41 | 10904545.87 | 25397773.09 | 13808218.30 | |
| cis-7-Hexadecenoic Acid | 115645050.39 | 43125569.49 | 61064528.76 | 60472962.15 | |
| cis-9-Hexadecenoic acid | 29322656.13 | 9967791.43 | 15188072.09 | 14049687.09 | |
| cis-Acetylacrylate | 109630671.46 | 93912969.85 | 100252205.77 | 22470529.78 | |
| Citreoviridin putative annotated in Paecelomyces | 35738629.52 | 30406877.62 | 35255300.48 | 33161338.86 | |
| Citropten | 44774836.73 | 150821384.90 | 94603896.62 | 49831935.58 | |
| Citrulline | 291726257.63 | 233071126.86 | 211667030.92 | 203153312.90 | |
| Clovanediol Diacetate | 64750618.64 | 55742273.32 | 56427728.97 | 61309179.63 | |
| Colnelenic acid | 112600436.67 | 56009982.97 | 84989762.92 | 93745083.69 | |
| Communesin-B | 13263445.36 | 12733234.58 | 12893023.60 | 13302107.47 | |
| Congressane | 16721282.89 | 9591207.68 | 22793359.55 | 16559846.55 | |
| Coniine | 120553315.37 | 115969384.42 | 128660455.59 | 128780951.75 | |
| Conjugated Linoleic Acid (10E,12Z) | 49007461.04 | 28855344.26 | 36378611.15 | 34597067.05 | |
| Coproporphyrin I | 7345647.39 | 10242188.47 | 10258462.85 | 12157977.81 | |
| Coprostanone | 50164618.60 | 18641642.31 | 47881081.69 | 21513949.42 | |
| Corchorifatty acid A | 128924414.46 | 61910698.42 | 84465862.80 | 87991283.64 | |
| Corchorifatty acid F | 33277958.44 | 37357543.14 | 57333900.07 | 48313501.79 | |
| Costunolide | 7286751.84 | 10251223.32 | 34505005.25 | 19888137.70 | |
| Creatine,anhydrous | 475183497.43 | 1276829130.76 | 172259979.00 | 541645175.56 | |
| Creatinine,anhydrous | 345945872.84 | 441396984.05 | 207951835.83 | 311755877.27 | |
| Cropropamide | 10312599.86 | 6882476.66 | 10046304.12 | 9337268.99 | |
| Crotonoside | 158301559.42 | 73750457.44 | 109455767.10 | 127715402.04 | |
| (+)-cucurbic acid | 168940942.81 | 61217977.08 | 128584477.33 | 133098021.56 | |
| Cuelure | 5386762.09 | 9863520.23 | 6463317.65 | 11603075.08 | |
| Cuminyl alcohol | 45706939.86 | 48997444.22 | 47388537.91 | 43742338.29 | |
| Curcumanolide A | 143815146.95 | 86408761.13 | 129075838.09 | 131189908.94 | |
| cyclic 3-Hydroxymelatonin | 7799089.87 | 3921554.10 | 8850210.95 | 758341.62 | |
| cyclo(glycylprolyl) | 20948800.47 | 18507160.21 | 21722531.03 | 16430938.83 | |
| Cyclohepta-1,3,5-trione | 12241720.74 | 15403125.23 | 14220735.89 | 9516524.23 | |
| Cyclohexanone oxime | 92069596.52 | 88027632.96 | 83104184.66 | 83186035.60 | |
| Cyclohexylamine | 7449449757.84 | 6982444022.66 | 6568580341.74 | 5907966595.04 | |
| cyclohexylammonium | 3523726270.38 | 2147957894.06 | 4705141406.57 | 4116084866.18 | |
| Cyclo(Leu-Phe) | 7935507.35 | 6003887.01 | 4270365.43 | 6262506.06 | |
| cyclo(L-Leu-L-4-hydroxy-Pro) | 51321950.33 | 70708031.05 | 38617642.10 | 60800880.01 | |
| Cyclopentamine | 94578523.11 | 86097330.33 | 91231647.12 | 82958584.03 | |
| Cyclopentasiloxane, decamethyl- | 22046405.96 | 25227788.59 | 23348366.70 | 22179793.66 | |
| Cytidine | 1037685.69 | 3538477.90 | 2642938.23 | 1138346.00 | |
| Cytosine | 247908246.51 | 165374525.68 | 451912010.55 | 270482527.81 | |
| Cytosine deoxyribonucleoside | 66619658.44 | 46071336.73 | 56862268.14 | 58414627.65 | |
| DAG 15:0 | 42456649.86 | 13748030.27 | 17779432.42 | 24039473.54 | |
| Daidzein | 48978828.90 | 34875523.45 | 71866037.05 | 51728968.57 | |
| D-Alloisoleucine | 52687012.72 | 46531551.78 | 54537186.77 | 39057202.63 | |
| d-Dethiobiotin | 9345890.34 | 16806752.18 | 7420541.49 | 8783525.94 | |
| D-(+)-dihydrocarvone | 14350881.60 | 14305162.63 | 16754863.91 | 9170721.24 | |
| dec-4-enedioic acid | 11391456.88 | 10619309.28 | 17141644.21 | 14729540.42 | |
| Decaethylene Glycol | 6577008.79 | 10656417.98 | 10013427.71 | 9923538.88 | |
| DEET | 20820834.65 | 28154824.74 | 29280555.90 | 25360862.35 | |
| DEET (Diethyltoluamide) | 67665795.84 | 75836829.75 | 79480393.99 | 82329336.29 | |
| DEET Diethyltoluamide) | 23392049.67 | 18251999.54 | 16767754.00 | 26102582.99 | |
| Dehydroabietamide | 58532067.51 | 35750949.13 | 51260696.17 | 50811614.82 | |
| Dehydrophytosphingosine | 14887438.56 | 12619876.36 | 15941177.81 | 9492542.51 | |
| Dehydrotumulosic acid | 6664478.73 | 5405324.18 | 3709950.56 | 4179269.69 | |
| Delgocitinib | 7962985.55 | 4044548.10 | 5083465.82 | 6416206.24 | |
| delta8,14-Sterol | 205853456.55 | 115693233.46 | 299144747.53 | 191796124.91 | |
| delta-tocopherol | 33355419.62 | 22471597.48 | 57556737.98 | 32009740.76 | |
| delta-Tocotrienol | 3589464.14 | 12594326.64 | 4689945.65 | 6786229.64 | |
| delta-Valerolactone | 620487705.12 | 439037544.93 | 191442199.28 | 463740828.22 | |
| Demethyltexasin | 3369939.02 | 10604248.13 | 9125550.22 | 7712225.90 | |
| Deoxycholate | 41533379.99 | 27730364.50 | 65488935.49 | 76028643.61 | |
| Deoxycholic acid | 637827605.64 | 589613722.22 | 554379672.11 | 641949410.23 | |
| Deoxycorticosterone | 22937537.37 | 19283313.88 | 19144132.97 | 14900550.38 | |
| Deoxyelephantopin | 487319.05 | 509471.09 | 271330.21 | 314853.13 | |
| Desf-08 | 4844476.84 | 212165.60 | 1000792.23 | 1246497.59 | |
| Desmosterol | 7521275.39 | 2783300.53 | 10243212.88 | 1664359.63 | |
| Dethiobiotin | 61753442.92 | 49213366.93 | 48887113.46 | 53466319.49 | |
| DG 16:0 | 14053340.41 | 6344187.01 | 34803862.51 | 16718278.28 | |
| DG(20:4(8Z,11Z,14Z,17Z)-2OH(5S,6R)/0:0/i-19:0) | 11012968.41 | 3382154.89 | 7208833.82 | 2413018.62 | |
| DG 33:3 | 3577233.43 | 2312484.24 | 4510759.68 | 2347606.02 | |
| DG 8:0_16:4 | 36824585.12 | 28149953.63 | 43090324.64 | 33989867.13 | |
| D-Glucose | 369996410.81 | 128295339.96 | 287400099.09 | 208550690.47 | |
| DG(PGJ2/8:0/0:0) | 15947341.60 | 32126583.87 | 52546310.67 | 33905037.54 | |
| D-Histidine | 9377484.12 | 7313625.26 | 9390840.18 | 8865322.71 | |
| D-Homoserine | 240460369.99 | 208598157.50 | 227962224.51 | 276245575.13 | |
| Dibutyl phthalate | 32327614.94 | 21833379.13 | 23589251.58 | 33511009.50 | |
| Dichloromethane | 420568122.88 | 350363150.23 | 364500425.34 | 390566690.13 | |
| Dicoumaroyl Spermidine | 16391191.00 | 10210082.23 | 9430887.37 | 11478059.00 | |
| Dicyclohexylcarbodiimide | 43598728.70 | 26724351.81 | 33173329.99 | 34005832.55 | |
| Didrovaltratum | 10927620.11 | 11817631.13 | 12336551.60 | 13416738.42 | |
| Diferuloyl putrescine | 147964823.00 | 132137453.79 | 132748326.04 | 143277796.77 | |
| Dihydrocapsaicin | 21668539.61 | 18919364.12 | 15436467.78 | 19077689.27 | |
| Dihydroceramide C2 | 3790343.73 | 3102086.86 | 9825081.57 | 2336748.48 | |
| Dihydrojasmonic Acid | 112014844.72 | 48209895.30 | 64356929.16 | 73275403.39 | |
| Dihydromuronic acid | 18886499.44 | 16076376.20 | 8935328.19 | 9540043.25 | |
| Dihydroxycarteolol M1 | 9972268.19 | 18227204.05 | 27394302.73 | 22445199.42 | |
| Dihydroxycarteolol M2 | 221749444.07 | 14612911.55 | 23964142.89 | 98096404.75 | |
| Dihydroxystearic acid | 7128632.02 | 7699713.30 | 16626920.94 | 7378047.42 | |
| Diisopropylethylamine | 67924608.17 | 72000557.72 | 56149122.21 | 62822972.87 | |
| Diisopropylphosphate | 47687054.79 | 54328380.90 | 52437623.62 | 49190136.72 | |
| Diisopropyl sulfide | 65884808.35 | 47824638.73 | 55793742.14 | 61950341.42 | |
| Dimorphecolic acid | 1020017849.28 | 185373713.52 | 233894997.93 | 487886764.84 | |
| Dioctyl phthalate | 24531347.66 | 14943829.60 | 17255703.33 | 23315944.51 | |
| Diosgenin | 28592220.26 | 25889018.24 | 21579232.69 | 21530179.53 | |
| Diplodiatoxin | 14192573.41 | 23943661.67 | 18874505.12 | 31360403.15 | |
| Diterpene alkaloid | 21422744.55 | 46061551.82 | 45014510.06 | 40171733.52 | |
| Divinylbenzene | 32291571.26 | 30273318.78 | 36987078.13 | 36536461.99 | |
| Dl-Citrulline | 123369545.46 | 38604300.00 | 45261572.08 | 47311783.41 | |
| D-Leucine | 65476960.77 | 62222380.39 | 50344948.49 | 71829866.33 | |
| Dl-Isoleucine | 52554420.52 | 39094251.13 | 37171003.30 | 45438216.06 | |
| DL-Lauroylcarnitine | 3488868.05 | 2809987.55 | 4147534.65 | 2014265.76 | |
| Dl-Phenylalanine | 223348461.12 | 144040082.54 | 159785313.43 | 188458339.24 | |
| D-Lysine | 186587091.94 | 214996025.42 | 203582530.73 | 208564701.26 | |
| Docosahexaenoic acid | 13494962.51 | 30584702.96 | 14883707.58 | 15329783.44 | |
| Docosatetraenoyl Ethanolamide | 911781.58 | 858927.82 | 3051881.35 | 745047.94 | |
| dodec-4-enedioic acid | 125200669.00 | 87360571.18 | 120312802.64 | 119977710.22 | |
| dodeca-4,7,10-trienoic acid | 28959060.48 | 19486426.17 | 28535872.40 | 26125108.76 | |
| dodeca-6,8,10-trienoic acid | 108523115.62 | 37349836.60 | 60140564.21 | 62928079.85 | |
| dodecanamide | 7874713.19 | 8691995.71 | 14595640.01 | 10168199.60 | |
| Dodecanedioic acid | 36242278.59 | 29191803.41 | 31260642.03 | 33006570.93 | |
| Dopamine | 13845892.77 | 15859457.26 | 14616886.50 | 8527648.59 | |
| D-Pinitol | 146851731.16 | 37649871.17 | 71903280.78 | 96644264.07 | |
| Dropropizine | 112021666.14 | 18179530.58 | 18973072.59 | 55454365.59 | |
| D-Tyrosine | 47531922.50 | 25322750.39 | 43237596.09 | 40067354.02 | |
| Durandro | 73271533.38 | 48012011.89 | 39570899.31 | 55111313.67 | |
| (E)-10-Oxo-8-decenoic acid | 5150833.22 | 5052958.87 | 5753468.65 | 4695422.02 | |
| (E)-3-[2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl... | 452844579.56 | 324133719.18 | 461960642.79 | 443392091.36 | |
| (E)-4-[(1R,2S,3S,4R,8aS)-2,3,4-trihydroxy-2,5,5,8a-tetrameth... | 35326619.49 | 21042497.23 | 35475082.20 | 37008269.10 | |
| E-64c | 101459560.94 | 92458562.13 | 101815858.49 | 98797613.24 | |
| Eicosanoids_12,13diHOME_C18H34O4 | 140653948.15 | 31548123.65 | 35295486.38 | 72517687.72 | |
| Eicosanoids_18-HEPE_ | 67587868.97 | 30314284.03 | 39171535.34 | 50382908.40 | |
| Eicosanoids_8-HEPE_ | 59149146.75 | 4106732.96 | 4325510.41 | 24123429.29 | |
| Eicosanoids_PGD1_ | 22231433.06 | 32656381.04 | 7159922.80 | 3610217.65 | |
| Enallylpropymal | 7474549.85 | 4022403.35 | 7866289.87 | 2685970.54 | |
| Enoxolone | 27093617.17 | 22284325.56 | 22050693.63 | 22172754.15 | |
| Enterodiol | 1593284.81 | 7101077.96 | 16506730.06 | 14656376.05 | |
| Enterolactone | 19002423.10 | 13966865.98 | 16605942.73 | 17943221.00 | |
| Episarsasapogenin | 9057810.16 | 16252833.73 | 25510073.00 | 13385762.55 | |
| Epoxydocosapentaenoic acid | 200467311.42 | 131691957.36 | 161071435.93 | 182577981.52 | |
| (+/-)-Equol | 82006915.06 | 50320624.09 | 32878103.94 | 51861951.14 | |
| Ergosta-5,7,9(11),22-Tetraen-3-beta-Ol | 3185402.09 | 7443404.13 | 8524625.37 | 2904498.14 | |
| Erianin | 8945259.44 | 10299216.80 | 13113262.90 | 11271017.34 | |
| Esculentic acid (Diplazium) | 24607620.55 | 10721552.40 | 20972886.42 | 18466983.86 | |
| Estradiol dipropionate | 33053886.79 | 10316953.89 | 11289520.01 | 21052753.06 | |
| estrane-3alpha,17alpha-diol | 121285010.74 | 78686815.43 | 108679862.71 | 65460263.44 | |
| Ethephon | 54608695.38 | 51537893.31 | 36314524.24 | 43042933.19 | |
| Ethosuximide M5 | 130798441.97 | 60200406.97 | 88751090.71 | 95725057.67 | |
| ethyl (2E)-3-(3-nitrophenyl)prop-2-enoate | 34588086.46 | 16563746.31 | 19030204.91 | 25949303.85 | |
| Ethyl 2-pyrrolecarboxylate | 15028509.53 | 17541651.63 | 23931447.03 | 17216947.18 | |
| ethyl 4-((1S,2S,11S,16S,5R,7R,10R,14R,15R)-5,16-dihydroxy-2,... | 2905865.53 | 5876400.30 | 16493711.02 | 9053105.58 | |
| Ethyl 4-phenylbutanoate | 184394960.53 | 99607178.38 | 184247460.35 | 172054034.73 | |
| Ethyl butylacetylaminopropionate | 66573674.23 | 26429246.82 | 50872081.11 | 48669748.40 | |
| Ethyl ecgonine | 16607628.79 | 5970063.51 | 11137647.86 | 12308262.56 | |
| Ethyl isobutyl ketone | 72524812.20 | 62206189.28 | 82264772.56 | 82917915.35 | |
| Ethyl isopropyl disulfide | 4458256837.13 | 2978696194.60 | 5522590236.27 | 5553042249.74 | |
| Ethyl N2-acetyl-L-argininate | 48186238.68 | 27114795.28 | 27311084.09 | 37595927.49 | |
| Ethyl phenylacetate | 33854259.66 | 11103477.88 | 31639219.73 | 30507890.79 | |
| Ethyl trans-p-methoxycinnamate | 7598596.60 | 6164990.29 | 4937488.03 | 5633791.34 | |
| Etiracetam | 25452438.53 | 22743318.80 | 27891689.84 | 22174473.67 | |
| (E)-undec-2-enedioic acid | 8687123.23 | 9825019.96 | 9584777.25 | 9973670.90 | |
| Euscaphic acid | 9495852.35 | 28310304.74 | 45475132.91 | 25556675.09 | |
| Exaprolol | 15957372.21 | 10785735.93 | 14372250.71 | 14425021.34 | |
| Falipamil | 38015080.17 | 13869660.89 | 26990293.26 | 29088049.10 | |
| Farnesyl acetone | 199346748.89 | 104958781.83 | 170089661.26 | 141806334.57 | |
| Farnesylacetone | 33699939.57 | 11112671.85 | 24396439.32 | 18458789.86 | |
| Felbamate monocarboxylate | 10561676.28 | 8995178.96 | 13680760.60 | 10486397.95 | |
| Fellutanine A | 7132837.30 | 4741991.43 | 4270693.60 | 6099917.90 | |
| ferulic acid | 25351608.85 | 21333013.06 | 22264016.35 | 21856457.24 | |
| Fistulosin | 3667293.94 | 2077974.29 | 6514383.61 | 2024185.40 | |
| Fludioxonil | 108035904.16 | 45163149.86 | 74205186.71 | 63050366.53 | |
| Flufenacet ESA | 36310080.90 | 18684687.36 | 22628587.63 | 19148302.79 | |
| Forskolin | 21743417.41 | 2203380.39 | 27008571.59 | 2362568.63 | |
| Fructosylvaline | 72243509.59 | 58996464.79 | 71804079.46 | 63171484.99 | |
| FruLeuIle | 28272886.84 | 34024415.98 | 41937431.67 | 31511238.86 | |
| Furanodiene | 16961554.63 | 10867495.48 | 9172554.23 | 12960199.07 | |
| Fusaric acid | 22075852.26 | 25867495.25 | 30146290.08 | 27861487.88 | |
| fuzhuanin A | 55461372.70 | 24058670.41 | 53142433.15 | 31580746.68 | |
| GABA-C5:0 | 18326169.93 | 23738619.85 | 22395414.82 | 25151376.67 | |
| GABA-C6:0 | 7951972.09 | 24331563.12 | 14563857.28 | 16586284.38 | |
| gamma- 9,10-DiHODE | 14748409.12 | 14717315.96 | 16267294.94 | 16175173.02 | |
| gamma-Asarone | 65689555.58 | 33934886.52 | 49093615.33 | 53460114.45 | |
| Gamma-Butyrolactone | 47652426.79 | 50973441.74 | 57740912.42 | 50651800.77 | |
| gamma-Glutamyl-beta-aminopropiononitrile | 73545251.54 | 42902548.71 | 58160939.96 | 63461042.03 | |
| gamma-Glutamylisoleucine | 34699320.61 | 35994197.80 | 75501605.62 | 55371400.86 | |
| gamma-Glutamylvaline | 57730822.05 | 41024032.78 | 50210771.16 | 66534742.97 | |
| gamma-Tocotrienol | 11134920.53 | 10965698.21 | 17710854.90 | 11809403.06 | |
| Genistein | 23829891.76 | 21568648.65 | 14106199.62 | 19396121.32 | |
| Gentianine | 11720097.85 | 9233026.91 | 10090998.70 | 9998153.65 | |
| Gentiatibetine | 10841079.09 | 9188050.03 | 14057783.10 | 12647831.28 | |
| Geranylacetone | 10221039.80 | 5937781.43 | 13034358.69 | 10251561.94 | |
| Glochidone putative | 125559557.02 | 56858763.77 | 130208833.34 | 106762265.37 | |
| Glu Ala Ser Ser Thr | 38694621.71 | 18133622.87 | 14041105.08 | 25838075.01 | |
| Glu-bMCA | 2721692.34 | 3563448.87 | 7328493.60 | 5460539.16 | |
| Glucosamine-1P | 703395262.66 | 568393340.83 | 788299906.17 | 777622301.98 | |
| Glucosaminic acid | 27048531.63 | 14705013.77 | 30581271.02 | 23624137.34 | |
| Glucuronic_acid,_8CI,_9CI_6-Aminohexyl_glycoside | 7656454487.43 | 4385621838.34 | 7089989141.93 | 7285670588.73 | |
| Glu Leu | 16349393.91 | 8896366.81 | 11371803.71 | 6956892.49 | |
| Glu Lys His | 11740803.92 | 12385964.28 | 3268994.28 | 10565023.08 | |
| Glu Pro | 37371170.56 | 62416347.59 | 46236194.85 | 44504564.85 | |
| Glutamylproline | 19090299.14 | 16618855.78 | 32333572.98 | 23252501.83 | |
| Glutaric acid | 82300328.10 | 55432469.28 | 82667333.31 | 58700326.45 | |
| Glutaryl-carnitine; AIF; CE00; CorrDec | 131754583.08 | 62428561.85 | 113962499.81 | 183953127.80 | |
| Glycerol 1,2-dimethacrylate | 109602331.67 | 77192381.69 | 57214422.26 | 80933286.16 | |
| Glycerol 1-hexadecanoate | 17964788.64 | 14582212.49 | 19191971.61 | 19001382.73 | |
| Glycerol 1-myristate | 1713814.72 | 2631333.25 | 7461881.22 | 2459376.51 | |
| Glyceryl 5-hydroxydecanoate | 96843104.81 | 53867831.39 | 89004888.25 | 82249663.38 | |
| Glyceryl monolinoleate | 47371221.84 | 34960229.28 | 52815211.60 | 34307895.14 | |
| Glycerylmonooleate | 15804133.45 | 11603030.15 | 12774858.84 | 11763832.95 | |
| Glycitein | 109127103.22 | 111306670.41 | 67628492.33 | 93826224.20 | |
| Glycochenodeoxycholate | 6085361.56 | 10746309.30 | 11776929.77 | 7136593.63 | |
| Glycocholic acid | 12172562.59 | 11245960.57 | 14613767.76 | 13213934.87 | |
| Glycoursodeoxycholic acid | 12889422.85 | 8741603.77 | 25904115.38 | 18041188.66 | |
| Glycylleucine | 11943151.07 | 17011765.03 | 13564945.56 | 10182004.21 | |
| Glycyl-L-proline | 61912901.18 | 51013333.19 | 41199235.29 | 56931619.07 | |
| Glycyl-L-valine | 41311233.71 | 38279387.84 | 38911392.13 | 48228745.67 | |
| Gly Ile | 297147292.71 | 201218310.58 | 209436319.77 | 236515368.38 | |
| Gly Leu Leu | 26257986.54 | 14621905.13 | 17149914.50 | 21383533.77 | |
| Gly-Phe | 52418900.08 | 37506006.98 | 32667836.19 | 41096887.86 | |
| Gly Pro Ile | 23733456.57 | 25001476.74 | 19411440.22 | 6233017.54 | |
| Gly Pro Ser | 42960427.55 | 14043442.13 | 13502884.75 | 24543633.38 | |
| Gonal | 24505026.57 | 7051896.69 | 11541142.78 | 14421652.90 | |
| Guanidinobutyric acid methyl ester | 11823344.01 | 29029498.21 | 25186955.18 | 8858291.56 | |
| h_92_oxabolone | 36294785.33 | 28145609.26 | 35075986.31 | 31467370.12 | |
| Halaminol A | 9251209.66 | 6916738.92 | 10082868.17 | 8528376.48 | |
| Hapalindole A | 9552100.63 | 8847182.26 | 9936116.06 | 6607797.17 | |
| Hecogenin | 71806944.58 | 62022275.57 | 36385251.45 | 56408043.75 | |
| Hecogenin Acetate | 391904529.74 | 402594367.59 | 554074687.34 | 491224454.01 | |
| Hemimellitene | 37938105.87 | 40994131.30 | 39693296.58 | 39458716.33 | |
| Hept-3-enoylcarnitine | 12383357.05 | 9964005.75 | 10605657.19 | 10388982.13 | |
| Heptadecanoyl Ethanolamide | 4547969.74 | 5606287.89 | 11774468.34 | 3368869.11 | |
| Heptadecasphinganine | 30612006.15 | 26592488.52 | 53325369.12 | 28209900.37 | |
| heptan-2-one | 31298944.81 | 27256879.82 | 40717247.43 | 29550690.10 | |
| Heptanoylcarnitine | 35638893.95 | 12613785.53 | 23268303.55 | 24763875.90 | |
| Hexadecylamine | 96308522.87 | 102357200.27 | 141533773.31 | 98514691.87 | |
| Hexaethylene glycol | 34809470.50 | 46240400.96 | 41290349.10 | 39688023.40 | |
| HexCer 11:0;3O/23:0;(2OH) | 22631452.50 | 16051750.04 | 33381624.11 | 20536165.37 | |
| Hirsutin | 49175033.85 | 28011416.92 | 47974684.74 | 52285722.78 | |
| His Asn Ile | 18674324.55 | 14416948.97 | 13532708.59 | 23505085.71 | |
| Histidinol | 87722861.10 | 41311015.62 | 78481410.55 | 74452714.79 | |
| Homocysteine thiolactone | 1049855542.39 | 968417491.59 | 899996284.66 | 1006257020.43 | |
| Hydrocotarnine | 8287770.55 | 12992608.59 | 9563107.73 | 10020464.03 | |
| Hydroxyamobarbital | 29044023.80 | 38029038.04 | 19171611.67 | 28103170.94 | |
| Hydroxy Tyrosol -Acetate | 39895836.31 | 18478303.51 | 36626414.74 | 34260833.66 | |
| Hyocholic acid | 12961524.92 | 14336303.02 | 7844012.76 | 18673297.66 | |
| Hyodeoxycholic acid | 107192986.11 | 121918791.54 | 137165665.31 | 135281851.86 | |
| Hypotaurine | 47018175.17 | 27579791.33 | 19717419.38 | 29717017.64 | |
| IAA-Val | 9300398.22 | 1316050.65 | 1671526.73 | 3346029.96 | |
| Ibuprofen piconol | 19166669.01 | 7502558.75 | 11220047.34 | 13057287.85 | |
| Icosa-8,11,14-trienoylcarnitine | 1283730.59 | 13048799.33 | 2204180.61 | 2883014.25 | |
| Idrapril | 28697797.77 | 19219039.99 | 31674183.34 | 29245235.90 | |
| Ile His Arg Arg | 14890760.83 | 16669390.32 | 17671358.16 | 16396273.44 | |
| Ile Phe | 24628340.29 | 24580984.77 | 18423119.66 | 29037674.34 | |
| Ile Pro | 49377725.06 | 39147002.33 | 35931487.93 | 44948726.48 | |
| Ile Thr Pro | 11238186.44 | 7300128.33 | 8446421.64 | 9239665.95 | |
| Ile-Trp | 1719418.03 | 8037811.56 | 2828015.66 | 1290846.77 | |
| Ile Val Ser | 15736824.85 | 12621204.14 | 9909458.37 | 7388233.86 | |
| Imazapyr | 28378718.31 | 16417952.26 | 24350839.77 | 24148478.38 | |
| Imidazoleacetic acid | 497975588.82 | 292321472.47 | 530942627.43 | 540693803.39 | |
| Imidocarb | 25182546.54 | 25089071.58 | 23163354.70 | 24586791.32 | |
| Imperialine | 20523102.51 | 26694260.58 | 16046997.79 | 26718726.32 | |
| Indane | 62543113.45 | 57914766.40 | 55595213.10 | 59773706.40 | |
| Indeloxazine | 17785753.89 | 7004040.00 | 6512952.70 | 10225229.33 | |
| Indole-3-acetamide | 20452800.94 | 11735120.62 | 12573780.64 | 14826973.38 | |
| Indole-3-acetyl-L-isoleucine | 27865751.29 | 30984075.54 | 18108592.77 | 4567304.16 | |
| Indole-3-carbinol | 20272625.46 | 9291145.62 | 9882299.77 | 11623075.56 | |
| Indole-3-carboxaldehyde | 161377831.94 | 89088292.50 | 105219595.58 | 129449449.69 | |
| Indole-3-carboxyaldehyde | 40910223.88 | 26389854.07 | 38042945.19 | 35848989.29 | |
| Indole-3-carboxylic acid | 114816715.15 | 52434410.18 | 87672975.70 | 100819189.73 | |
| Indole-3-ethanol | 44403890.31 | 30691989.41 | 54163986.93 | 41542684.15 | |
| indole-3-glycol aldehyde | 88162255.01 | 38351765.84 | 47048396.31 | 56404563.66 | |
| Indole-3-methyl acetate | 49498402.52 | 16157420.63 | 20122401.13 | 29162781.90 | |
| Irisone | 16802053.59 | 8682931.37 | 18514251.28 | 13157896.91 | |
| Isoalantolactone | 9751607.08 | 8772510.00 | 6369687.24 | 5934617.82 | |
| Isoamyl 2-furonpropionate | 45705695.48 | 41386513.80 | 43985753.93 | 41219854.90 | |
| Isodeoxycholic acid | 97702153.45 | 95504150.60 | 102517196.28 | 105885255.18 | |
| Isoelemicin | 19109005.67 | 22797796.84 | 13903546.20 | 16503870.33 | |
| Isoferulic acid | 300592090.78 | 170559521.98 | 333101413.04 | 257576862.88 | |
| Isoleucine (Not validated) | 119325890.49 | 74531981.34 | 84330435.75 | 91169071.62 | |
| Isoleucyl-Aspartate | 64827334.46 | 45338809.69 | 55088886.48 | 54823392.43 | |
| Isoleucylhydroxyproline | 95428021.68 | 67307298.70 | 50742062.06 | 91382362.13 | |
| Isoleucyl-Threonine | 40546756.03 | 38329086.27 | 33618331.13 | 36499082.95 | |
| Isoleucyl-Valine | 118134974.62 | 72962629.27 | 40177507.58 | 82561705.80 | |
| isomaltulose | 102663075.20 | 47220158.01 | 69816049.93 | 60756824.19 | |
| Isopentylideneisopentylamine | 124471052.56 | 181831550.09 | 178751963.52 | 141781058.37 | |
| Isophorone | 84433151.80 | 74539642.27 | 86696422.72 | 67813007.21 | |
| (+)-Isopilocarpine | 64925174.38 | 20632738.17 | 16287255.87 | 43009211.62 | |
| Isoprocarb | 57175000.34 | 68402188.58 | 57299685.58 | 49911020.58 | |
| Isovalerylglutamic acid | 3577430.60 | 3842015.29 | 3972940.13 | 4043934.72 | |
| Isoxaben | 2937006.67 | 6451845.32 | 2651251.18 | 1830075.62 | |
| Isozeaxanthin | 7382122.68 | 6124472.09 | 13453751.35 | 4248911.18 | |
| Italipyrone | 4769773.18 | 13632377.29 | 8229161.42 | 11594948.22 | |
| (-)-Jasmonic acid | 70080243.61 | 49083241.17 | 66852917.47 | 66321758.72 | |
| Jasmonoyl-S-Isoleucine | 24666230.85 | 14196619.01 | 6456793.97 | 15128825.04 | |
| Kainic Acid | 54142974.52 | 31631585.51 | 52091318.51 | 44734155.41 | |
| Koninginin A | 26817692.74 | 14726823.88 | 25483463.05 | 25203665.16 | |
| korseveriline | 13360905.91 | 4446147.33 | 6362224.12 | 8221552.07 | |
| Kynurenic acid | 7526091.01 | 11545186.86 | 13311331.76 | 10396625.62 | |
| L-2-Aminoadipic acid | 83789031.89 | 127415860.06 | 48219045.78 | 82240814.16 | |
| L-Allo-Isoleucine | 334966090.65 | 197097327.35 | 233503619.38 | 245348990.46 | |
| L-allo-Threonine | 40192521.27 | 24977328.72 | 34194649.73 | 34853935.41 | |
| lapidin | 31483469.93 | 13659883.46 | 14447416.92 | 20999639.77 | |
| Laprafylline | 6788004.23 | 9957933.40 | 8003121.42 | 6847704.59 | |
| Lathyrol | 18086730.18 | 5754306.78 | 8538862.02 | 14514938.63 | |
| Lauric isopropanolamide | 24411752.71 | 21787173.66 | 29390323.12 | 23703165.96 | |
| Laurocapram | 272893824.78 | 158768318.60 | 285721228.44 | 158650266.75 | |
| Lauroylcarnitine | 2357834.46 | 7728147.76 | 2477734.69 | 3158373.22 | |
| L-beta-homoleucine-HCl | 124172389.12 | 50586833.48 | 70049221.06 | 86806364.90 | |
| L-Citrulline | 320816198.73 | 272850081.28 | 313281486.12 | 306926913.71 | |
| LDGTS 4:0 | 1878202.94 | 6339117.90 | 3187476.51 | 4279235.91 | |
| Lenticin | 7141079.82 | 1101928.09 | 1953921.20 | 1781908.26 | |
| Leu Ala | 81372641.60 | 32252563.94 | 73197509.58 | 50799688.42 | |
| Leu Asp Val | 9919672.61 | 14579045.41 | 5829159.66 | 7774092.95 | |
| Leucyl-Alanine | 86443856.87 | 81111357.84 | 81825694.70 | 73437312.17 | |
| Leucylphenylalanine | 63224718.99 | 42486894.20 | 43483465.16 | 48260486.86 | |
| Leu-Glu | 92773382.72 | 62774377.50 | 78074688.82 | 83569965.02 | |
| Leu Leu Val | 66691731.79 | 38924619.39 | 42798849.26 | 53486267.29 | |
| Leu Phe Leu Pro | 24912116.94 | 13174107.65 | 13306207.07 | 17919139.36 | |
| Leu Pro Val | 14008882.63 | 15230237.87 | 10511021.25 | 12271778.44 | |
| Leu Ser Trp His | 12238882.72 | 4466945.58 | 3499488.09 | 7134471.92 | |
| L-Glutamic acid | 35409300.50 | 30436666.50 | 36907956.52 | 39463795.04 | |
| L-Histidinol | 368980490.71 | 338804171.23 | 368487497.13 | 181344527.32 | |
| L-Homoserine | 70512480.47 | 80294583.86 | 106582513.61 | 122821747.06 | |
| Lidocaine-N-Oxide | 83522846.09 | 6405043.24 | 8499181.11 | 35106536.71 | |
| Linamarin | 42444194.50 | 31706196.15 | 35796856.34 | 42419626.42 | |
| Linoelaidic acid | 33465771.57 | 12878965.01 | 40582443.96 | 18771645.10 | |
| Linoleoyl Ethanolamide | 191097909.06 | 72300304.40 | 173079986.16 | 130153401.89 | |
| Liquidambaric lactone | 34298144.62 | 13994183.82 | 11922939.11 | 22658634.31 | |
| Lithocholic acid | 108242177.27 | 108906687.76 | 182591242.39 | 131627929.59 | |
| L-Kynurenine | 107322995.44 | 21548169.30 | 22511405.85 | 25759277.92 | |
| L-Methionine sulfoxide | 90726871.95 | 178469196.46 | 95676905.41 | 116349968.31 | |
| L-Norleucine | 17993381355.93 | 8514001275.77 | 13812853882.40 | 14036536078.57 | |
| Lotaustralin | 228802571.68 | 159253866.43 | 231590960.28 | 214284943.74 | |
| LPC 14:0-SN1 | 24977229.03 | 24554548.59 | 14603965.85 | 17687442.19 | |
| LPC 15:0-SN1 | 13398141.91 | 28760565.18 | 12767868.97 | 15480921.19 | |
| LPC 18:0-SN1 | 422614.71 | 160669.74 | 243942.63 | 266789.92 | |
| LPC 18:2-SN1 | 25310101.99 | 12169866.38 | 17101128.22 | 17338939.40 | |
| LPC O-14:1 | 3140640.18 | 7826795.32 | 2756599.52 | 3687179.69 | |
| LPC O-16:1 | 92159946.23 | 138093969.14 | 86245746.80 | 99761808.00 | |
| LPC O-18:1 | 22092853.40 | 12866225.24 | 13308366.70 | 13584174.63 | |
| LPE 13:0 | 27077998.76 | 3872575.98 | 15158371.12 | 12915731.63 | |
| LPE 16:0 | 687809218.65 | 191237138.34 | 666552859.09 | 422038098.26 | |
| LPE 17:0 | 44175768.96 | 17269902.23 | 61964530.10 | 28281598.77 | |
| LPE 17:1 | 25920081.80 | 17275975.62 | 39863123.01 | 3017126.90 | |
| LPE 18:2 | 37467156.88 | 19728864.45 | 45038747.53 | 29949540.52 | |
| LPE O-15:1 | 5786881.73 | 4364142.65 | 4998968.87 | 2809583.81 | |
| LPE O-16:1 | 195745003.17 | 158105777.15 | 126141455.92 | 136552442.85 | |
| LPE O-17:1 | 11509464.53 | 6076965.64 | 6595204.82 | 5936195.83 | |
| LPE O-18:2 | 3991315.91 | 14108661.60 | 3392276.09 | 3137462.88 | |
| LPE O-18:3 | 7598440.17 | 7859731.51 | 5017199.90 | 5752729.18 | |
| L-Serine | 70990436.03 | 75767040.66 | 60442014.85 | 75213036.81 | |
| L-threo-Sphingosine C-18 | 164300980.57 | 454653323.38 | 245965781.27 | 233754167.63 | |
| L-Thyronine | 18119786.08 | 10405181.13 | 19395161.72 | 16205340.24 | |
| L-Tryptophan | 26622268.40 | 38047742.76 | 35061687.19 | 27481656.70 | |
| Lumichrome | 93114142.77 | 34435914.41 | 35889968.63 | 68602881.82 | |
| Lycopene 1,2,1^,2^-diepoxide | 23841110.43 | 30535362.73 | 48305924.88 | 29879496.91 | |
| lycoperodine I | 77730722.34 | 58601031.34 | 45890091.51 | 60984926.00 | |
| Lys-C18:1 | 4182608.76 | 8384335.37 | 11294549.91 | 6667111.71 | |
| Lys-C4:0 | 122429025.12 | 127626107.00 | 142576273.18 | 135782815.29 | |
| Lys-C5:0 minus a CH2 | 58397807.01 | 42428842.95 | 64681135.61 | 64816539.40 | |
| Lys-gMCA | 4098308.02 | 5061380.60 | 8454627.45 | 6667712.56 | |
| Lys Lys Pro | 65259115.17 | 57850284.75 | 42671658.36 | 59668887.81 | |
| LysoPA(19:0/0:0) | 15850097.46 | 17273782.93 | 22897971.25 | 19167417.26 | |
| LysoPA(i-19:0/0:0) | 13919183.86 | 11475147.49 | 22842624.87 | 16446017.98 | |
| LysoPA(O-18:0/0:0) | 7582416.68 | 11406574.21 | 31360039.43 | 13817013.94 | |
| LysoPC(0:0/20:4(5Z,8Z,11Z,14Z)) | 5272631.69 | 11997693.81 | 8322339.35 | 7699674.21 | |
| LysoPC(14:1(9Z)/0:0) | 6944929.96 | 4739717.78 | 5899168.65 | 6534200.54 | |
| LysoPC(16:1(9Z)/0:0) | 46959023.11 | 53325913.16 | 29996789.35 | 37151626.59 | |
| LysoPC(P-16:0/0:0) | 2884948.95 | 3599019.50 | 1953703.97 | 2085903.34 | |
| LysoPC(P-18:1(9Z)/0:0) | 16969860.91 | 41405859.01 | 15846315.00 | 22394673.80 | |
| LysoPE(0:0/15:0) | 577186929.41 | 155499996.63 | 604768979.80 | 320579339.37 | |
| LysoPE(16:0/0:0) | 8725397.70 | 584192.55 | 4950375.30 | 997322.35 | |
| LysoPE(18:0/0:0) | 23902019.32 | 46022567.92 | 26232499.04 | 24959957.66 | |
| LysoPS(18:0/0:0) | 6095991.14 | 3799459.94 | 5792614.01 | 2089575.24 | |
| Lys Phe | 11788443.20 | 14988818.98 | 18916867.03 | 13500019.54 | |
| Lys Pro Pro Gly | 150879017.69 | 93390505.17 | 98692343.60 | 109183118.09 | |
| Lys Thr His | 5831429.31 | 5273226.75 | 11224753.78 | 5922498.79 | |
| Lys Tyr Val Lys | 68663803.09 | 75246598.50 | 76926789.17 | 77650026.12 | |
| Lys Val Tyr Lys | 21436249.56 | 19238079.05 | 22794863.83 | 18842887.25 | |
| Lysylisoleucine | 30683672.92 | 27516801.67 | 29237752.56 | 32691136.80 | |
| M 344 | 25173769.84 | 25893667.32 | 26108828.89 | 27444639.44 | |
| Madecassic Acid | 21814805.95 | 9996427.94 | 39815750.36 | 23925311.60 | |
| Maltol | 29741502.52 | 28228288.90 | 22660323.43 | 29260348.15 | |
| Malvalic acid | 17793459.92 | 7845159.20 | 14086759.36 | 10208158.23 | |
| Mangiferic acid | 231544758.74 | 98753517.62 | 180756223.80 | 189258252.56 | |
| (+)-Marmasmic acid | 11454145.27 | 13394974.35 | 15274013.84 | 13963105.64 | |
| Match to DEET Diethyltoluamide) | 23835175.36 | 29650879.23 | 17989356.94 | 18803830.33 | |
| medrysone | 49966277.85 | 33896285.47 | 34522541.54 | 44575485.24 | |
| Mefenacet | 11126110.33 | 6808857.10 | 4540673.09 | 8096504.67 | |
| Melevodopa | 20019783.70 | 20021893.96 | 23308349.70 | 19859284.56 | |
| Melibiose | 172343248.70 | 97952812.54 | 78131223.39 | 151775812.07 | |
| Mephobarbital | 74177129.44 | 54301811.18 | 67647516.26 | 67311263.08 | |
| Metacetamol | 19182562.46 | 16001389.66 | 19299780.65 | 18026782.20 | |
| Meta-Tyrosine | 19440067.14 | 12212875.84 | 16988014.97 | 24040591.84 | |
| Methacholine | 1006917336.56 | 786537289.60 | 428489506.16 | 818396472.11 | |
| methionine glutamate | 67460071.84 | 40837430.52 | 43257198.34 | 55762238.61 | |
| Methioninesulfoxide | 67248975.22 | 47273998.14 | 73620304.62 | 66802615.03 | |
| Met His Arg | 6755282.44 | 5424416.25 | 4133589.85 | 4385719.82 | |
| Methyl 16-hydroxyhexadecanoate | 6053132.90 | 1548289.31 | 6588382.66 | 1811170.81 | |
| methyl 1-methylpiperidine-3-carboxylate | 52870571.51 | 13102722.41 | 26466375.78 | 25046475.91 | |
| methyl 2-[4-ethenyl-2,6-dihydroxy-3-(3-hydroxyprop-1-en-2-yl... | 21636734.74 | 38642012.42 | 22982087.00 | 24963411.91 | |
| methyl (2E,4E,8E)-7,13-dihydroxy-4,8,12-trimethyltetradeca-2... | 51007407.04 | 27064242.97 | 55970885.26 | 52586879.14 | |
| methyl (4R)-4-((3R,5S,7R,9S,10S,13R,14R,17R)-3,7,14-trihydro... | 2134847.67 | 2028280.12 | 8233590.50 | 3013328.66 | |
| methyl (4R)-4-((3R,5S,7S,9S,10S,13R,14S,17R)-3,7-dihydroxy-1... | 2628774.09 | 3304164.65 | 24662731.19 | 7897306.25 | |
| methyl (4R)-4-((5R,9S,10S,12S,13R,17R)-12-hydroxy-10,13-dime... | 8189359.83 | 18964379.55 | 151000806.45 | 50415333.60 | |
| Methyl [6]-paradol | 27556660.02 | 10624551.66 | 12469165.92 | 13735878.84 | |
| Methyl citronellate | 144271962.92 | 81889262.97 | 105576992.41 | 101239911.75 | |
| Methyldopate | 77952887.27 | 51446824.95 | 90372531.94 | 72042968.18 | |
| Methylenecyclopropylglycine | 51381630.34 | 33878885.01 | 23111164.09 | 22932968.35 | |
| Methyl ferulate | 59241318.42 | 59973392.26 | 60356244.18 | 57529887.22 | |
| Methylhexahydrophthalic anhydride | 17450123.04 | 15361995.15 | 35888444.29 | 14151185.45 | |
| Methylimidazole acetaldehyde | 10888469.39 | 12239610.76 | 7689679.03 | 9456698.70 | |
| Methylimidazoleacetic acid | 393507000.27 | 393886926.90 | 235934616.36 | 363606412.02 | |
| methyl indole-3-acetic acid | 5263571.34 | 2170761.96 | 1808386.32 | 2782850.94 | |
| Methyl methacrylate | 27843337.40 | 37129798.85 | 48211109.76 | 32311561.37 | |
| Methylnoradrenaline | 32526949.43 | 25676767.08 | 38947810.91 | 34577096.11 | |
| Methyl oxindole-3-acetate | 20106924.45 | 10989908.75 | 14398299.31 | 15434417.80 | |
| methyl (R)-4-((3R,5S,7R,8S,9S,10S,13R,14R,17R)-3,7,14-trihyd... | 6222757.77 | 5504962.62 | 12587943.02 | 7196517.55 | |
| Methyl trans-p-methoxycinnamate | 3790262.61 | 12646076.37 | 10694611.78 | 11850386.31 | |
| Methyltyrosinate | 57933076.04 | 42046643.83 | 42139004.86 | 46224511.02 | |
| Metolachlor morpholinone | 16576053.01 | 6861161.49 | 5844763.50 | 9933401.68 | |
| MG(0:0/16:0/0:0) | 102316173.96 | 29255086.44 | 138895302.78 | 39780053.73 | |
| MG(0:0/18:3(6Z,9Z,12Z)/0:0) | 40191473.90 | 8334498.98 | 14645038.92 | 19548243.53 | |
| MG(0:0/20:4(5Z,8Z,11Z,14Z)/0:0) | 10858909.97 | 23910701.20 | 14580816.56 | 14809650.94 | |
| MG(0:0/22:5(4Z,7Z,10Z,13Z,16Z)/0:0) | 622221.32 | 688267.80 | 1331564.38 | 726873.12 | |
| MG(16:0/0:0/0:0) | 12775294.45 | 10867339.44 | 17855537.06 | 12069857.10 | |
| MG 18:2 | 4738067.09 | 7758992.97 | 11356900.16 | 5000298.94 | |
| MG(18:2(9Z,12Z)/0:0/0:0)[rac] | 318691910.57 | 193544111.48 | 248207038.49 | 239276613.21 | |
| MG(18:4(6Z,9Z,12Z,15Z)/0:0/0:0) | 55523546.84 | 34672549.43 | 34861693.02 | 38966422.15 | |
| MG(20:5(5Z,8Z,11Z,14Z,17Z)/0:0/0:0) | 9529865.26 | 10819317.48 | 5437876.41 | 8930570.30 | |
| MG(22:4(7Z,10Z,13Z,16Z)/0:0/0:0) | 4243865.14 | 1659637.53 | 5470649.00 | 2753584.28 | |
| MG(24:6(6Z,9Z,12Z,15Z,18Z,21Z)/0:0/0:0) | 33412922.22 | 45800271.31 | 31787782.44 | 30601477.48 | |
| MG(i-17:0/0:0/0:0) | 65913617.86 | 81764774.04 | 113751806.54 | 76974577.11 | |
| MG(O-18:0/0:0/0:0) | 8006112.28 | 8904181.48 | 10650051.58 | 6496393.55 | |
| MG(P-18:0/0:0/0:0) | 7415180.39 | 7354331.23 | 5731200.87 | 6337042.18 | |
| Milciclib | 2773512.73 | 10206805.39 | 4763634.76 | 4987900.12 | |
| Mono(1-ethylhexyl) phthalate | 19312670.52 | 19478074.55 | 17576254.12 | 24448504.82 | |
| Monoelaidin | 86068719.71 | 36747849.40 | 61904606.94 | 47046718.01 | |
| Mono-ethylhexylphthalate | 17615495.50 | 17057394.24 | 17628604.89 | 19063292.39 | |
| Monolinolenin (9c,12c,15c) | 54044273.02 | 32453311.84 | 44102884.56 | 45064778.66 | |
| Monooctyl phthalate | 24496956.46 | 18469462.41 | 18346557.05 | 26259471.49 | |
| Monopropionylcadaverine | 116108844.52 | 32927472.75 | 73762398.86 | 78901309.13 | |
| (Morpholinoimino)acetonitrile | 95922095.61 | 44739015.90 | 68112770.21 | 67391114.48 | |
| m-Tolual acid | 8101320.13 | 13599823.81 | 12944269.58 | 11903573.17 | |
| Myristoylglycine | 1035563.84 | 6260588.56 | 1903538.17 | 3023213.89 | |
| (±)-Myrtenyl acetate | 147155959.81 | 55224446.29 | 110808353.24 | 114598122.58 | |
| N-(1,3-Dihydroxyoctadec-4-en-2-yl)acetamide | 3771150.12 | 2318400.48 | 7942897.46 | 3640241.58 | |
| N-(1-Adamantyl)urea | 71211651.34 | 28125493.95 | 34923587.37 | 47394801.21 | |
| N-(1-Deoxy-1-fructosyl)alanine | 55217533.85 | 55262349.45 | 92554085.34 | 46452791.56 | |
| N-(1-Deoxy-1-fructosyl)phenylalanine | 1340647036.44 | 871922883.77 | 1211459453.92 | 1190690434.52 | |
| N-(1-Deoxy-1-fructosyl)valine | 1096321901.40 | 1050282299.86 | 756196011.16 | 1052915264.98 | |
| N1,N12-Diacetylspermine | 25952634.41 | 25113074.29 | 19361178.11 | 18636881.98 | |
| N1,N8-Diacetylspermidine | 287866239.47 | 302210721.09 | 397126143.04 | 354121711.44 | |
| N-(2-(1-naphthalenyl)ethyl)cyclobutanecarboxamide | 13889209.44 | 5926275.04 | 8581359.57 | 9980325.04 | |
| N,2,3-Trimethyl-2-(1-methylethyl)butanamide | 8344926.68 | 7417241.25 | 9289238.78 | 7657826.97 | |
| N-(2-hydroxyethyl)nicotinamide | 14023373.00 | 8149937.82 | 10311672.42 | 11696933.07 | |
| N-(3-Hydroxypropyl)valine | 9067697.59 | 7985225.47 | 12877472.64 | 8379309.62 | |
| N-(3-Indolylacetyl)-L-isoleucine | 15170035.26 | 7011166.38 | 10390658.81 | 12983965.44 | |
| N-(3-Methylbut-2-EN-1-YL)-9H-purin-6-amine | 205280148.23 | 147746180.34 | 165227538.75 | 189762373.38 | |
| N-(3-oxo-hexanoyl)-homoserine lactone | 76171234.70 | 66377141.58 | 42377229.69 | 60662957.55 | |
| N-(4-Amino-2,5-diethoxyphenyl)benzamide | 3980740.67 | 10687140.76 | 16268041.31 | 16367425.30 | |
| N-(4-Aminobenzoyl)-L-glutamic acid | 4532319.19 | 3611355.22 | 4249976.05 | 3833563.08 | |
| N-(5-Methyl-3-oxohexyl)alanine | 6830695.07 | 5776129.79 | 12989604.99 | 9711024.99 | |
| N-(6-aminohexanoyl)-6-aminohexanoic acid | 36565341.35 | 65225064.08 | 45584831.07 | 45488322.62 | |
| N6-Succinyl adenosine | 33652069.71 | 7334916.82 | 11784648.47 | 17875909.12 | |
| N8-Acetylspermidine | 47333575.17 | 98449515.22 | 75580585.75 | 89764919.74 | |
| N-Acetyl-5-methoxykynuramine | 21960721.02 | 11970350.97 | 11157075.34 | 7268304.17 | |
| N-acetyl-beta-D-galactosamine | 149702090.94 | 188176812.75 | 195583529.13 | 152206637.42 | |
| N-Acetylcadaverine | 409937335.85 | 128767578.46 | 239682753.95 | 273045665.25 | |
| N-acetyl-D-galactosamine | 400945851.08 | 315757692.16 | 520134585.49 | 401264952.65 | |
| N-Acetyl-Dl-Glutamic Acid | 3107976.15 | 2889309.31 | 2411473.62 | 2368710.86 | |
| N-Acetyl-DL-leucine | 11539929.99 | 20737138.27 | 20251993.26 | 25086642.97 | |
| N-Acetylisoleucine | 122642826.16 | 78916270.96 | 109386641.74 | 105247393.82 | |
| N-Acetyl-L-aaline | 10176469.77 | 5341917.04 | 14131934.09 | 10698607.74 | |
| N-Acetyl-L-histidine | 7178713.61 | 4928560.14 | 5260621.04 | 5431305.34 | |
| N-Acetyl-L-leucine | 5344372.11 | 9887574.30 | 9358571.64 | 7660005.85 | |
| N-Acetyl-L-phenylalanine | 15479909.86 | 22377675.32 | 20660271.68 | 19531553.39 | |
| N-Acetylmannosamine | 15261769.07 | 55309446.33 | 70301813.23 | 6886396.69 | |
| N-Acetylneuraminate | 15165866.67 | 27202020.17 | 34678262.44 | 12954042.86 | |
| N-acetyl putrescine hydrochloride | 125969262.33 | 42519936.01 | 30923640.47 | 66045858.87 | |
| N-Acetylthreonine | 113526096.90 | 83526183.30 | 96826622.35 | 95522174.81 | |
| N-acetyl-tryptophan | 6778683.90 | 9695838.32 | 3643556.06 | 5457828.58 | |
| NAE 16:4 | 16577992.99 | 19983794.75 | 25421525.70 | 22403609.17 | |
| NAE 20:1 | 19694763.98 | 19289423.19 | 30506750.52 | 20741088.61 | |
| NAE 20:4 | 7884977.22 | 3724270.14 | 16764404.99 | 5480639.88 | |
| Nalpha-Acetyl-L-lysine | 60152378.88 | 72803991.54 | 69955633.82 | 62005835.10 | |
| N-Benzyladenine | 100977207.16 | 30373967.12 | 24263000.47 | 53751875.11 | |
| NCGC00091907-03_C15H22O3_(2E)-3-[(1R,4S,7R,7aR)-1-Hydroxy-3,... | 36823406.63 | 38520406.12 | 58369462.93 | 47390724.85 | |
| NCGC00168838-03_C30H46O5_(1R,2S,5aR,5bR,7aS,10R,12bR)-2-Hydr... | 27165022.77 | 23724050.38 | 28384318.60 | 22508054.00 | |
| NCGC00169889-02_C15H24O3_2-[(2R,4aR,8R,8aR)-8-Hydroxy-4a,8-d... | 39601655.67 | 25056590.10 | 26959867.86 | 29892998.20 | |
| NCGC00179701-03_C30H46O4_Lup-20(29)-en-28-oic acid, 6-hydrox... | 14501415.36 | 9352732.45 | 16766783.07 | 13885021.94 | |
| NCGC00180746-02_C30H48O6_Olean-12-en-28-oic acid, 2,3,19,24-... | 51954069.82 | 21061727.52 | 23160096.36 | 32183383.18 | |
| NCGC00253541-03_C27H40O2_(2R)-2,8-Dimethyl-2-[(3E,7E)-4,8,12... | 18156925.36 | 28499177.31 | 34976782.43 | 28692252.68 | |
| NCGC00347573-02_C18H25NO3_2-Heptenamide, 7-(1,3-benzodioxol-... | 26902338.77 | 19368913.11 | 16987159.50 | 16494859.16 | |
| NCGC00347586-02_C30H46O6_3,19-Dihydroxyurs-12-ene-23,28-dioi... | 35196849.49 | 22849079.11 | 36228325.05 | 36479754.62 | |
| NCGC00347620-02_C22H34O4_7-Oxabicyclo[4.1.0]hept-3-ene-2,5-d... | 39798736.86 | 19653120.15 | 23499504.06 | 19396084.24 | |
| NCGC00347703-02_C30H44O5_Lup-20(29)-ene-27,28-dioic acid, 3-... | 37028083.16 | 11262913.71 | 25122540.45 | 25139278.76 | |
| NCGC00347704-02_C24H32O7_2H-Oxireno[1,10a]phenanthro[3,2-b]f... | 28179006.75 | 22490799.05 | 26686284.15 | 15091182.26 | |
| NCGC00380668-01_C48H78O18_(3beta,5xi,9xi,22beta)-22,24-Dihyd... | 13344581.02 | 24788510.82 | 14397612.64 | 18906140.69 | |
| NCGC00380735-01_C15H22O4_Naphtho[2,3-b]furan-2(4H)-one, 4a,5... | 146847902.39 | 77685710.84 | 175055837.19 | 155268942.46 | |
| NCGC00380833-01_C20H28O5_Gibbane-1,10-dicarboxylic acid, 2-h... | 13907544.52 | 7413027.21 | 12762668.96 | 11694022.13 | |
| NCGC00380930-01_C15H26O4_1H-Indene-4-carboxylic acid, octahy... | 218939234.94 | 129583007.12 | 195538361.09 | 196487070.08 | |
| NCGC00380966-01_C12H16O4_6H-2-Benzopyran-6-one, 1,7,8,8a-tet... | 86653343.57 | 22940851.64 | 76415274.94 | 66764250.72 | |
| NCGC00381156-01_C24H30O6_Methyl 3-[(1E,3E)-3,5-dimethyl-1,3-... | 7925271.89 | 6083109.43 | 5479651.73 | 8710417.59 | |
| NCGC00381404-01_C14H22O3_2-Naphthalenecarboxylic acid, 3,4,4... | 50072155.46 | 83681632.30 | 105251220.85 | 87554946.74 | |
| NCGC00381408-02_C16H24O4_4-Hydroxy-1-methoxy-6,6,9a-trimethy... | 10258064.10 | 8862688.04 | 3992406.09 | 7048732.53 | |
| NCGC00385243-01_C12H18O4_{(1R,2R)-2-[(2Z)-5-Hydroxy-2-penten... | 388971236.79 | 225757829.09 | 241182092.01 | 308875779.18 | |
| NCGC00385253-01_C30H44O7_(2S,4R,9beta,16alpha,23E)-2,16,20,2... | 16569216.68 | 7453302.89 | 18020402.77 | 13930603.11 | |
| NCGC00385291-01_C19H30O8_3-Buten-2-one, 4-[4-(beta-D-glucopy... | 8799660.86 | 8620520.17 | 9395620.79 | 9520309.40 | |
| NCGC00385795-01_C18H28O3_2H-Pyran-2-one, tetrahydro-4-hydrox... | 49798087.48 | 29850379.13 | 33593397.98 | 37901840.29 | |
| NCGC00385885-01_C15H22O4_(3aS,4S,7aR)-4-Hydroxy-5-[(2S)-5-hy... | 51946014.66 | 67432612.85 | 63163220.49 | 63160993.20 | |
| NCGC00385923-01_C15H22O4_2-[(1E,3E)-1,3-Hexadien-1-yl]-5-(3-... | 92229641.09 | 58229702.16 | 111865341.47 | 98761449.80 | |
| NCGC00385955-01_C21H26O4_4-Allyl-1-{[1-(3,4-dimethoxyphenyl)... | 11999749.77 | 14053556.27 | 14037133.43 | 12855666.02 | |
| NCGC00386020-01_C18H28O3_8-{(1S,5R)-4-Oxo-5-[(2Z)-2-penten-1... | 44564830.51 | 24149437.19 | 35641183.28 | 36875646.89 | |
| n-decanohydroxamic acid | 87160101.42 | - | - | 23593968.14 | |
| N-decanoyl-L-Homoserine lactone | 11935901.12 | 12411097.94 | 7711616.63 | 10989018.53 | |
| N-Demethyltramadol | 40281794.25 | 12885594.79 | 20677331.39 | 23842972.50 | |
| N-deoxyfructosylacetyllysine_isomer2 | 30446632.74 | 30694168.81 | 34591371.25 | 31488846.37 | |
| N-deoxyfructosylleucylisoleucine | 42430717.20 | 15651952.74 | 22996136.08 | 29568976.53 | |
| Nefopam N-oxide | 5957743.51 | 3912898.50 | 7090602.56 | 4746921.54 | |
| Neodihydroprotolichesterinic acid | 1150204.27 | 1331274.37 | 1116456.87 | 1114997.44 | |
| Neotigogenin Acetate | 70476876.76 | 39371429.54 | 69842607.06 | 61573103.68 | |
| N-Ethyl-2-methyl-2-propen-1-amine | 5965652200.14 | 3597116909.69 | 5806104910.67 | 4817215287.44 | |
| N-Fructosyl isoleucine | 683050279.19 | 865372490.34 | 782811838.62 | 456924820.95 | |
| N-Fructosyl phenylalanine | 27451808.67 | 19571167.97 | 22634490.34 | 24661284.60 | |
| Nicotinamide, N-(2-hydroxyethyl)- | 1055720163.91 | 671798491.89 | 756080535.56 | 879578718.72 | |
| Nicotinamide N-oxide | 8496660.34 | 6879294.64 | 23600967.95 | 7302567.45 | |
| Nicotinic acid | 39663941.94 | 47971922.83 | 58274839.29 | 39436051.59 | |
| Nicotinic acid ribonucleoside | 12053062.31 | 4777613.24 | 6643800.97 | 7890413.83 | |
| Nicotinoylcholine | 55090040.84 | 29441812.35 | 34261630.85 | 44608324.20 | |
| N-Lactoylleucine | 198148595.78 | 59429517.36 | 140993063.91 | 118178857.49 | |
| N-Lauroylglycine | 614781674.20 | 260406383.19 | 411249023.02 | 467017506.45 | |
| N-Linoleoyl Glutamine | 8609060.38 | 13327955.54 | 13822097.12 | 12008675.77 | |
| N-Linoleoyl Leucine | 8164759.35 | 3631970.13 | 6316556.47 | 3845826.82 | |
| N-Linoleoyl Lysine | 9912289.56 | 12670677.46 | 13527712.48 | 8237801.82 | |
| N-Methyl-2-pyrrolidone | 94986011.95 | 109140370.53 | 89372460.10 | 125723679.50 | |
| N-methyl-4,6,7-trihydroxy-1,2,3,4-tetrahydroisoquinoline | 28015119.00 | 22710428.74 | 28424874.06 | 23580642.47 | |
| N-Methyldioctylamine | 9041268.96 | 14706866.96 | 14625192.30 | 9979099.12 | |
| N-Methyldodecylamine | 42184291.72 | 41370972.92 | 55966254.34 | 41472493.32 | |
| N-Methylhydantoin | 28309006.40 | 19871508.80 | 8744910.44 | 7702197.36 | |
| N-Methylisoleucine | 67947665.92 | 77632396.78 | 138068769.29 | 101977456.74 | |
| N-Methylpiperidine | 92828020.54 | 120139726.61 | 96288708.59 | 101108685.85 | |
| N-Methylproline | 24914640.16 | 28350414.29 | 28845368.60 | 29481408.92 | |
| N-Methylschinifoline | 43765110.44 | 1794214.39 | 3549284.27 | 15447052.32 | |
| N-Methylthreonine | 16223430.00 | 15416808.97 | 15809383.01 | 16257295.77 | |
| N,N-Diethylbenzeneacetamide | 29229700.81 | 42829286.20 | 39532490.83 | 41169378.55 | |
| N,N-Dimethyldecylamine oxide | 53329913.72 | 53308486.83 | 71369563.91 | 52123876.48 | |
| N,N-Dimethyldodecylamine | 26016979.66 | 29483037.49 | 37303479.76 | 25373749.07 | |
| N,N-Dimethyloctadecylamine | 3836904.50 | 2636806.12 | 9809584.89 | 3001968.02 | |
| N,N-dimethyl-proline-proline betaine | 80781057.37 | 53865176.18 | 40466342.12 | 66248521.01 | |
| N,N-dimethyl-Safingol | 16640279.36 | 29296770.78 | 34288623.23 | 20555460.29 | |
| N,N-Dimethylsphingosine | 28210233.05 | 62981201.60 | 43860212.54 | 36024452.26 | |
| N,N-Dimethyltetradecylamine-N-oxide | 108350553.48 | 113008318.01 | 176063255.75 | 118365500.48 | |
| N-Oleoylethanolamine | 20337633.78 | 15716726.38 | 36262712.79 | 20550248.79 | |
| N-Oleoyl Leucine | 11800826.49 | 10721516.62 | 13671565.48 | 7958703.47 | |
| nona-3,5-dienoic acid | 32555398.71 | 11126631.32 | 28999425.62 | 18559514.17 | |
| Nonaethylene Glycol | 12283246.92 | 20012377.86 | 18419539.74 | 17627227.92 | |
| Nona-trans-2-cis-6-dien-1-al | 44817961.36 | 56804700.33 | 42696793.23 | 32562988.53 | |
| Norambreinolide | 40995945.29 | 26712323.96 | 37683215.21 | 36759673.47 | |
| Norepinephrine | 11008770.89 | 13993524.72 | 11704511.11 | 10987346.46 | |
| Norfenefrine | 105473419.55 | 35588724.14 | 60213177.06 | 178856403.91 | |
| Norleucine | 33105299.80 | 27998019.32 | 29163193.20 | 33835663.88 | |
| Normetanephrine | 14718698.34 | 12532437.61 | 14473731.88 | 13963022.44 | |
| Norpandamarilactonine A | 46316719.38 | 28107227.17 | 46612644.99 | 38478438.19 | |
| N-Palmitoyl Leucine | 6800670.56 | 3800493.24 | 7383732.82 | 4571439.27 | |
| N-Palmitoyl Lysine | 8036261.10 | 17632639.87 | 10619471.94 | 9996882.20 | |
| N-Palmitoyl Valine | 2087432.34 | 1009027.83 | 2433164.86 | 1492433.23 | |
| n-Pentadecylamine | 11951325.93 | 12358648.04 | 18856759.26 | 12582152.55 | |
| Nuatigenin | 14443697.68 | 17340322.16 | 16214480.71 | 16206052.85 | |
| N-Valylphenylalanine | 42744680.93 | 42263398.38 | 46044524.99 | 58808297.49 | |
| NVE_247.1330_17.3 | 14093678.96 | 10936753.06 | 14896716.21 | 14499105.40 | |
| O-arachidonoylcarnitine | 1147909.14 | 12564265.69 | 2947487.43 | 4706784.26 | |
| Octadeca-2,4-dienedioic acid | 57206216.23 | 43724034.05 | 58954257.21 | 60709375.92 | |
| Octadeca-6,9,12,15-tetraenoic acid | 73966414.37 | 25912571.61 | 39876091.43 | 34339992.43 | |
| Octadecadienoate | 37702833.76 | 17390031.91 | 38542086.45 | 26215697.57 | |
| Octadecanamide | 46278635.83 | 34453102.92 | 54105907.92 | 36827726.12 | |
| Octaethylene glycol | 18824028.43 | 22084514.15 | 22152819.06 | 21550329.18 | |
| Octopamine | 20659307.88 | 58278074.72 | 25298376.98 | 34005132.17 | |
| Octyl phenylacetate | 11502737.14 | 15719499.48 | 14838615.22 | 12358259.62 | |
| o-Cymene | 21992030.05 | 30633271.73 | 36677241.68 | 32992817.57 | |
| Oleamide | 13894178.46 | 23675404.16 | 19402190.33 | 16940789.83 | |
| Oleanane -4H, + 2O | 340746478.03 | 142521211.32 | 327904966.45 | 273584140.35 | |
| Oleoyl Ethyl Amide | 4139462.94 | 4255608.56 | 10560557.33 | 5995413.61 | |
| Oleyl sarcosine | 5169692.69 | 2128163.64 | 4517057.38 | 3282162.74 | |
| Opthalmic acid | 42080603.93 | 17149336.12 | 16039530.31 | 19899769.55 | |
| Oseltamivir acid | 9699781.70 | 8840690.01 | 6989870.55 | 5759002.35 | |
| o-Tyrosine | 22490867.74 | 32590415.26 | 40917807.90 | 36498583.69 | |
| Oxindole | 69171434.02 | 119455491.35 | 96679151.80 | 98844976.50 | |
| PA(8:0/13:0) | 7948182.25 | 4146792.81 | 2813674.96 | 2469237.39 | |
| p-Acetaminobenzaldehyde | 26866218.24 | 19758819.68 | 24154839.26 | 22159542.72 | |
| Palmitamide | 100661366.18 | 66705242.93 | 112276715.59 | 71755062.28 | |
| Palmitoleic acid | 64622084.86 | 33118361.34 | 41016102.25 | 46016329.22 | |
| Palmitoleic Acid ethyl ester | 401771828.77 | 331347339.77 | 583269985.88 | 418269861.88 | |
| Palmitoylethanolamide | 97030169.51 | 116085466.20 | 160537715.52 | 98559920.23 | |
| p-Aminobenzoic acid | 20647389.65 | 12903505.05 | 18760043.91 | 15209749.12 | |
| Panaquinquecol 1 | 48978638.74 | 26160018.68 | 36220615.75 | 33988609.33 | |
| Panaxynol | 38709973.90 | 48150535.83 | 18885354.42 | 27619813.52 | |
| p-Benzoquinone dioxime | 229867823.14 | 159151048.43 | 296223078.83 | 293598989.96 | |
| PC(0:0/14:0) | 142529682.26 | 127707838.26 | 101847225.97 | 114171057.57 | |
| PC(0:0/18:0) | 34308279.29 | 42825525.40 | 51554784.55 | 16520540.90 | |
| PC(14:1(9Z)/0:0) | 52354490.05 | 34309750.16 | 46387031.54 | 33058979.96 | |
| PC 15:0 | 50709848.32 | 57684798.09 | 76960080.08 | 63731097.70 | |
| PC(15:0/0:0) | 3180199.64 | 2855259.25 | 3754239.86 | 1714783.21 | |
| PC(16:0/0:0) | 9464318.00 | 12274186.38 | 7937634.90 | 8129261.02 | |
| PC 16:0_16:0 | 31320417.24 | 38262857.20 | 29818539.67 | 19982225.33 | |
| PC(16:0/16:0) | 45267186.27 | 32385082.48 | 36970087.34 | 18864077.74 | |
| PC(16:0/18:1) | 62639670.35 | 43385161.46 | 48015206.93 | 50416054.56 | |
| PC(16:0/18:1(11Z)) | 801062444.09 | 327792847.22 | 539623466.32 | 320601304.35 | |
| PC(16:0/18:2) | 7727865.31 | 7389716.98 | 5800406.76 | 2652938.42 | |
| PC(16:0/18:2(9Z,12Z)) | 4937860.82 | 4286337.31 | 2865611.59 | 4407882.51 | |
| PC(16:0/20:3) | 18181480.64 | 21043931.51 | 16445071.32 | 26488483.68 | |
| PC(16:0/20:3(5Z,8Z,11Z)) | 64971412.84 | 61277536.27 | 165756987.42 | 63088501.56 | |
| PC(16:0/20:4) | 38538323.63 | 21216049.45 | 40294734.69 | 18548529.95 | |
| PC(16:0/22:4) | 346076089.89 | 299010262.91 | 261436674.96 | 183194655.81 | |
| PC(16:0/22:5(4Z,7Z,10Z,13Z,16Z)) | 54492489.04 | 47197670.29 | 55328155.36 | 37170422.87 | |
| PC(16:0/22:5(7Z,10Z,13Z,16Z,19Z)) | 53912925.03 | 59810057.79 | 54605803.91 | 66506512.22 | |
| PC 16:0e | 597066251.59 | 708903676.17 | 545843949.14 | 593147124.67 | |
| PC(16:0/PGF2alpha) | 84100833.30 | 24598032.85 | 68370780.64 | 48868853.49 | |
| PC(16:1/0:0) | 31185113.56 | 36241827.71 | 50776586.23 | 22571606.70 | |
| PC(16:1/18:1) | 64208158.57 | 57854878.19 | 119269674.09 | 83855152.14 | |
| PC(16:1/22:5) | 6566818.91 | 11541833.19 | 16600322.19 | 5619690.85 | |
| PC(16:1(9Z)/18:0) | 97421712.61 | 105777836.02 | 93612274.42 | 73887761.83 | |
| PC(16:1(9Z)/18:1(11Z)) | 294527683.11 | 217805427.23 | 250043862.79 | 146059709.33 | |
| PC(16:1(9Z)/18:1(9Z)) | 228339075.63 | 180233733.77 | 645883296.71 | 109305144.60 | |
| PC(16:1(9Z)/20:4(8Z,11Z,14Z,17Z)) | 1651681.22 | 948161.20 | 1438876.26 | 1111853.11 | |
| PC(17:0/18:2) | 27984689.02 | 20960880.07 | 19416215.22 | 14473753.05 | |
| PC(18:0/18:2) | 436670734.12 | 453873856.66 | 459735263.53 | 497191604.37 | |
| PC(18:0/18:2(9Z,12Z)) | 225045755.80 | 195238084.00 | 345222656.72 | 163804574.22 | |
| PC(18:0/18:3) | 33133494.24 | 30594287.67 | 31553380.77 | 31355526.42 | |
| PC(18:0/20:4) | 22072490.28 | 24985379.33 | 19056324.17 | 15065573.00 | |
| PC(18:1(11Z)/16:1(9Z)) | 34827825.91 | 33029918.00 | 27610403.74 | 24006400.98 | |
| PC(18:1(11Z)/18:1(11Z)) | 29398833.37 | 24203656.19 | 22888300.00 | 21556699.35 | |
| PC(18:1(11Z)/18:1(9Z)) | 388760404.34 | 561516637.43 | 448805463.18 | 276565493.35 | |
| PC(18:1(11Z)/18:3(6Z,9Z,12Z)) | 5958112.54 | 5414558.47 | 5316544.94 | 4518714.05 | |
| PC(18:1/18:1) | 816751589.74 | 653178441.27 | 629141418.14 | 565589846.50 | |
| PC(18:1/20:3) | 181275393.42 | 275491473.52 | 197389677.56 | 168846023.66 | |
| PC(18:1/20:4) | 24319643.15 | 24639963.92 | 22405930.57 | 31603000.05 | |
| PC(18:1/20:5) | 10628269.95 | 7763321.15 | 5316597.44 | 4485117.11 | |
| PC(18:1/22:5) | 42566005.17 | 28986576.45 | 61403585.62 | 34507228.91 | |
| PC(18:1(9Z)/16:0) | 235540340.48 | 264558450.18 | 295409095.81 | 244448947.64 | |
| PC(18:1(9Z)/16:1(9Z)) | 98387913.77 | 115243739.24 | 80758919.06 | 88099278.48 | |
| PC(18:1(9Z)/18:1(11Z)) | 117068825.10 | 112457524.22 | 120375037.84 | 100167211.91 | |
| PC(18:1(9Z)/18:1(9Z)) | 1331265257.35 | 1275332038.50 | 1442763743.45 | 1446268705.22 | |
| PC(18:1(9Z)/20:3(8Z,11Z,14Z)) | 241784764.38 | 139642039.34 | 188475168.43 | 147803251.44 | |
| PC(18:2/0:0) | 153258560.60 | 58323917.09 | 94787192.87 | 88832523.12 | |
| PC(18:2/18:2) | 36131615.99 | 45098697.78 | 98774530.58 | 29528864.90 | |
| PC(18:2/20:2) | 163175641.05 | 160940175.74 | 332214125.95 | 68178092.70 | |
| PC(18:2/20:3) | 44245801.64 | 43382977.36 | 34734123.10 | 34990726.59 | |
| PC(18:2/20:4) | 206361.11 | 230204.68 | 202004.21 | 131504.68 | |
| PC(18:2/22:5) | 24739122.67 | 15036297.45 | 28400617.35 | 12646090.88 | |
| PC(18:2(9Z,12Z)/16:0) | 423539842.89 | 221333854.00 | 344205621.46 | 223223493.28 | |
| PC(18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z)) | 6554397.21 | 5516110.75 | 4619934.08 | 6450713.59 | |
| PC(18:3/20:1) | 58417668.92 | 75418500.74 | 41736976.02 | 42419684.30 | |
| PC(18:3/20:2) | 19680855.32 | 15460772.52 | 14616957.43 | 18628465.09 | |
| PC(18:3(9Z,12Z,15Z)/18:0) | 73961572.06 | 64050584.38 | 100374433.89 | 52717116.98 | |
| PC(18:4(6Z,9Z,12Z,15Z)/18:1(11Z)) | 10327885.68 | 6743388.22 | 20764417.26 | 7636750.00 | |
| PC(20:0/14:1(9Z)) | 111769945.17 | 163456297.57 | 105085371.27 | 70973036.64 | |
| PC(20:0/18:4(6Z,9Z,12Z,15Z)) | 92507552.98 | 70040304.83 | 90771556.69 | 61484902.74 | |
| PC(20:1(11Z)/14:0) | 150811954.44 | 227815912.59 | 155282456.40 | 100668433.10 | |
| PC(20:1(11Z)/14:1(9Z)) | 39893799.35 | 82019720.65 | 32341988.86 | 40661360.40 | |
| PC(20:2(11Z,14Z)/14:0) | 197806070.29 | 191276665.84 | 199286329.60 | 199711285.47 | |
| PC(20:2(11Z,14Z)/16:0) | 429300019.84 | 341030099.70 | 372308857.27 | 415229727.67 | |
| PC(20:2(11Z,14Z)/16:1(9Z)) | 69106466.90 | 53312642.18 | 56950656.99 | 104936919.49 | |
| PC(20:2/20:4) | 45636647.48 | 38346210.23 | 55770766.29 | 58001289.26 | |
| PC(20:3/0:0) | 2973781.05 | 8999138.37 | 4226903.97 | 5823715.43 | |
| PC(20:3/20:4) | 52187332.78 | 24306139.24 | 33684959.60 | 25442856.90 | |
| PC(20:3(5Z,8Z,11Z)/20:3(8Z,11Z,14Z)) | 150448561.47 | 113113082.03 | 117001913.55 | 76016379.20 | |
| PC(20:3(8Z,11Z,14Z)/16:0) | 23262344.63 | 27456924.70 | 15264452.76 | 12570828.79 | |
| PC(20:3(8Z,11Z,14Z)/20:3(5Z,8Z,11Z)) | 76605055.84 | 67557954.41 | 83525243.70 | 46111263.80 | |
| PC(20:3(8Z,11Z,14Z)/20:3(8Z,11Z,14Z)) | 41635242.00 | 22990098.80 | 18735705.62 | 34072551.02 | |
| PC(20:4(5Z,8Z,11Z,14Z)/16:0) | 1610004.14 | 1116929.78 | 1012947.97 | 818886.73 | |
| PC(20:4(5Z,8Z,11Z,14Z)/18:0) | 74196126.95 | 81432159.97 | 100807017.21 | 70551741.58 | |
| PC(20:4(8Z,11Z,14Z,17Z)/18:1(11Z)) | 50189963.95 | 33292884.86 | 43570769.69 | 36985861.19 | |
| PC(20:5(5Z,8Z,11Z,14Z,17Z)/16:0) | 3411554.79 | 2276743.73 | 3215765.51 | 4506188.52 | |
| PC(20:5(5Z,8Z,11Z,14Z,17Z)/18:1(9Z)) | 9409192.48 | 3101548.54 | 1965868.71 | 2579629.43 | |
| PC(20:5(5Z,8Z,11Z,14Z,17Z)/20:2(11Z,14Z)) | 12211110.55 | 9971308.43 | 10826255.32 | 9121304.50 | |
| PC(22:1(13Z)/14:1(9Z)) | 395417877.58 | 395770725.92 | 392662992.29 | 328541884.92 | |
| PC(22:2(13Z,16Z)/14:0) | 24686182.37 | 26013612.57 | 26826794.85 | 24438730.77 | |
| PC(22:5(4Z,7Z,10Z,13Z,16Z)/16:0) | 98146377.25 | 58783963.17 | 73861726.40 | 41936167.44 | |
| PC(22:5(7Z,10Z,13Z,16Z,19Z)/18:1(9Z)) | 92502472.15 | 55821043.23 | 53953112.36 | 64263389.14 | |
| PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:0) | 32418898.47 | 37005227.03 | 31773926.61 | 23482807.17 | |
| P-Chlorophenylalanine | 1623146180.30 | 887065977.74 | 1129510917.97 | 510806409.73 | |
| PC(O-16:1/0:0) | 18493892.54 | 60687410.40 | 31557360.46 | 36597932.81 | |
| PC O-18:0 | 27569863.18 | 44527029.74 | 22881037.83 | 28780959.75 | |
| PC(P-16:0/20:4(6E,8Z,11Z,14Z)+=O(5)) | 4393854.36 | 3870807.10 | 13857501.09 | 8417636.24 | |
| PC(P-18:1(9Z)/18:2(10E,12Z)+=O(9)) | 27454040.66 | 27604569.52 | 24150190.42 | 19417757.67 | |
| p-Cymene | 41033681.23 | 26413883.87 | 22466118.23 | 27698722.33 | |
| PE(16:1/0:0) | 4246625.85 | 7983248.79 | 5942134.09 | 7003346.32 | |
| PE(17:1(9Z)/0:0) | 7989727.65 | 5469216.04 | 7527642.80 | 8728530.85 | |
| PE(18:1(9Z)/0:0) | 960659.27 | 1294995.06 | 1810089.22 | 421845.24 | |
| Peiminine | 26399735.45 | 15758592.11 | 20154830.37 | 21919039.12 | |
| Pempidine | 83917320.66 | 77194728.57 | 76786791.85 | 79903464.27 | |
| Pentaethylene glycol | 41267200.22 | 58620895.06 | 39682042.87 | 30099295.04 | |
| Pentedrone | 44258366.09 | 43603410.84 | 47410723.29 | 47093955.41 | |
| PE O-11:0_6:0 | 25703378.31 | 15391722.20 | 36484740.66 | 23828426.49 | |
| PE O-12:0_2:0 | 183134778.98 | 39080275.22 | 159574179.70 | 102656253.69 | |
| PE O-13:1_3:0 | 16398402.88 | 12064825.30 | 21807538.44 | 13148128.48 | |
| PE O-14:0_4:0 | 101475787.73 | 175506316.11 | 110956670.79 | 103143392.99 | |
| PE O-14:1_4:0 | 7053916.13 | 7435712.96 | 15040144.52 | 8345835.25 | |
| PE O-15:1_3:0 | 76663608.20 | 78456804.72 | 153507806.57 | 91367116.08 | |
| Persin | 4962800.73 | 26764997.33 | 4192675.05 | 7616962.86 | |
| Pesticide3_Fenuron_C9H12N2O_Urea, N,N-dimethyl-N^-phenyl- | 102372500.20 | 36413327.01 | 45127406.03 | 60635707.10 | |
| Pesticide3_Pirimicarb_C11H18N4O2_2-(Dimethylamino)-5,6-dimet... | 7987543.32 | 5046368.70 | 6687657.88 | 6706702.10 | |
| Phantasmidine | 27877710.12 | 49970810.15 | 83168339.04 | 58013430.70 | |
| Phe-C4:0 | 1216514.00 | 1906524.81 | 2377141.91 | 1640837.54 | |
| Phenacylamine | 10502806.31 | 9762158.78 | 15380916.93 | 15737461.99 | |
| Phenethylamine | 8381852.43 | 5909965.02 | 5663936.34 | 5735100.04 | |
| Phenethylamine glucuronide | 138215917.94 | 82375945.05 | 154911066.11 | 127712469.06 | |
| Phenol, 4-(2-aminoethyl)- | 85910053.09 | 59316250.95 | 86523003.30 | 49797110.97 | |
| Phenylacetaldehyde | 106455034.23 | 123521857.92 | 95480899.39 | 116688705.67 | |
| Phenylalanylproline | 265192596.43 | 201115482.56 | 204901598.22 | 225949679.16 | |
| Phenylalanylthreonine | 23636667.28 | 21988402.27 | 34820838.80 | 27085429.63 | |
| Phenylethanolamine | 3541963707.04 | 2244726257.01 | 2522078269.48 | 2939145535.86 | |
| phenylethylamide 359 | 5220554.27 | 1589030.30 | 6648824.84 | 1351579.42 | |
| Phenyl glucuronide | 31379763.28 | 15367757.32 | 20137416.74 | 25078130.22 | |
| Phenylpropionylglycine | 24461648.25 | 12233322.63 | 20781795.01 | 18807837.28 | |
| Phloionolic acid | 149299223.09 | 70844903.14 | 66106968.02 | 98386319.38 | |
| Photopyrone G | 101351932.66 | 65813122.82 | 79391131.66 | 76079459.49 | |
| Physoperuvine | 29994576.29 | 22670268.89 | 34597621.14 | 29504853.20 | |
| Phytosphingosine | 4661108.75 | 1730569.19 | 6040519.49 | 1629223.51 | |
| Phytosphingosine (not validated, isomer of 1697) | 294200391.32 | 367212319.32 | 491071373.03 | 346647666.86 | |
| Pimibendan | 92046571.51 | 40265481.39 | 63831966.24 | 40756272.92 | |
| Pinolenic acid | 10899004.12 | 9387224.29 | 10950090.49 | 10265765.68 | |
| Pipecolic acid ethyl ester | 78469904.30 | 41267038.03 | 40951925.11 | 55908740.48 | |
| Pipecolinic Acid | 169625688.44 | 210301075.10 | 152264705.47 | 154777268.82 | |
| Piperdial | 38884766.56 | 32319513.67 | 40066945.06 | 31904993.46 | |
| piperettine | 7143444.04 | 8251687.97 | 7118195.02 | 5052921.32 | |
| Piperidine | 4811552245.49 | 2545350193.60 | 3594443567.77 | 4131439615.00 | |
| Pirimicarb-desamido | 21059594.63 | 10388977.97 | 13087753.36 | 15988137.05 | |
| Pivaloylcarnitine | 26027129.73 | 25281488.13 | 15077587.35 | 13488491.93 | |
| Polyoxyethylene (600) monoricinoleate | 1909961.28 | 1325437.75 | 8418179.33 | 1748322.28 | |
| poriferasta-5,22E-dien-3beta-ol | 4714281.78 | 8571902.46 | 6384310.61 | 9546230.98 | |
| Porphobilinogen | 23427874.73 | 24401829.04 | 25284555.51 | 22963736.58 | |
| Possible Lac-Val | 287079564.16 | 158621414.79 | 152340693.41 | 255728182.54 | |
| Pregnenolone | 3700231.47 | 13014202.91 | 5115627.19 | 4449818.06 | |
| Pregnenolone acetate | 55438804.25 | 40895347.33 | 42116761.79 | 45399950.42 | |
| Prenyl isobutyrate | 13618910.58 | 10849780.70 | 11357194.19 | 12654336.19 | |
| PRI_273.1234_9.3 | 25011309.68 | 20412586.52 | 16164923.76 | 21273493.46 | |
| Pro Asp Ile | 11855968.69 | 7109080.53 | 21076864.26 | 11146148.96 | |
| Pro Asp Leu | 34216480.86 | 33681432.35 | 34392876.34 | 28445185.90 | |
| Pro Gly Leu Asp | 9826314.18 | 6336231.95 | 5425818.84 | 3956614.82 | |
| Pro Gly Val | 23581003.31 | 15028846.62 | 13627073.69 | 21819332.88 | |
| Pro Ile Asp Asn | 6946756.60 | 7683869.58 | 2066270.08 | 5648640.30 | |
| Prolylproline | 38680571.90 | 34244858.34 | 29714330.61 | 34808775.77 | |
| Pro Lys Lys | 49696013.71 | 26356396.90 | 28188965.43 | 37693897.38 | |
| Propham | 10644311.01 | 19396979.72 | 19481500.45 | 11143346.74 | |
| Propionylcarnitine | 168160749.76 | 55983846.98 | 44529830.41 | 84119407.10 | |
| Pro Pro | 42009062.18 | 23675215.62 | 37228423.60 | 34386403.73 | |
| Pro Pro Lys Gly | 17220612.87 | 8399960.71 | 10032149.41 | 8047430.65 | |
| Pro Pro Pro | 27715115.42 | 24969081.81 | 19218392.59 | 25286343.54 | |
| Prostaglandin lactone-diol | 55136993.85 | 36083746.02 | 45336247.91 | 47995272.54 | |
| Protoporphyrin IX | 4132911.25 | 10481530.45 | 5062277.67 | 4134801.66 | |
| Pro Val | 53369827.77 | 53771500.15 | 39973879.35 | 31308534.00 | |
| Pro Val Ile | 5593104.70 | 2567652.64 | 4474217.51 | 5208874.80 | |
| PS 21:0 | 19827796.76 | 15822114.38 | 14883096.57 | 20904433.51 | |
| Pseudoecgonine | 24217650.22 | 21779551.56 | 37581037.39 | 32438871.43 | |
| Psychosine | 8828592.84 | 41990256.54 | 25191985.06 | 19573622.70 | |
| p-tert-Octylphenol decaglycol ether | 32750370.08 | 33727712.78 | 31347974.98 | 33546263.96 | |
| p-tert-Octylphenol heptaglycol ether | 72213128.75 | 74297066.73 | 69941244.86 | 75175842.15 | |
| p-tert-Octylphenol hexaglycol ether | 67896922.64 | 68405353.01 | 68874920.48 | 71614580.82 | |
| p-tert-Octylphenol nonaglycol ether | 44845117.57 | 48220088.64 | 43870790.65 | 44192831.48 | |
| p-tert-Octylphenol pentaglycol ether | 57129787.33 | 56765046.42 | 53870113.14 | 63614147.51 | |
| p-tert-Octylphenol tetraglycol ether | 40180165.53 | 39046417.36 | 39433928.95 | 43886285.24 | |
| p-tert-Octylphenol undecaglycol ether | 22352059.29 | 21658806.53 | 21689754.82 | 21060309.31 | |
| Putative (3-hydroxyheptadecanoyl)glycine | 43734039.56 | 34581694.17 | 46590621.68 | 33034677.19 | |
| Putative (3-hydroxyhexadecanoyl)glycine (aka Commendamide) | 33197168.78 | 20377520.50 | 42353390.92 | 26578335.06 | |
| Putative (3-hydroxyhexadecanoyl)lysine | 5952827.52 | 13306745.39 | 11332169.66 | 11246967.01 | |
| Pygenic acid C b | 11569457.71 | 11335735.88 | 15810124.32 | 12707302.28 | |
| Pyridazine-3,6-diol | 315576475.09 | 241312383.89 | 377135524.11 | 368003827.87 | |
| Pyridoxal | 13058025.97 | 13883551.77 | 14455382.86 | 14833246.05 | |
| Pyridoxamine dihydrochloride | 166133003.79 | 157708524.08 | 148493503.11 | 166117196.63 | |
| Pyridoxine | 304266.02 | 2270757.27 | 3410035.63 | 561475.46 | |
| Pyrimido[1,2-a]azepine, 2,3,4,6,7,8,9,10-octahydro- | 924774713.13 | 1043617732.69 | 742070439.40 | 840862290.31 | |
| Pyrogallol | 109557644.54 | 84970723.44 | 129939845.58 | 108969946.81 | |
| Pyroglutamate | 120874219.05 | 135897508.73 | 215944555.68 | 217882035.10 | |
| PyroglutamylIsoleucine (isomer of 1005) | 18896810.34 | 17354888.74 | 19409324.99 | 20268291.65 | |
| Pyropheophorbide a | 1686517.39 | 3933059.79 | 27637796.82 | 7806691.66 | |
| Quinamide Isopropylidene | 55309750.18 | 35057257.10 | 53030887.94 | 48220003.60 | |
| Quinoline | 25399106.26 | 10904313.80 | 12137043.79 | 14829264.57 | |
| Quinoline N-oxide | 639732286.66 | 427071238.64 | 731544523.73 | 665024325.33 | |
| Quinuclidine | 241892128.33 | 154097091.48 | 307780064.41 | 212138940.81 | |
| (R)-2-Nitro-p-mentha-1,5-diene | 82235762.81 | 48958991.56 | 76957411.16 | 63067460.80 | |
| (R)-4-((1R,3S,5R,8S,9S,10S,13R,14S,17R)-1,3-dihydroxy-10,13-... | 5153971.56 | 3686806.87 | 2776259.78 | 3674786.97 | |
| (R)-4-((1R,3S,5S,7R,8S,9S,10S,12S,13R,14S,17R)-1,3,7,12-tetr... | 226817047.61 | 260407370.88 | 487030114.06 | 322104699.20 | |
| (R)-4-((3R,5R,6R,7R,8S,9S,10R,13R,14S,17R)-3,6,7-trihydroxy-... | 814079180.03 | 564219269.24 | 514675274.82 | 880347985.52 | |
| (R)-4-((3R,5R,6R,7S,8R,9S,10R,12S,13R,14S,17R)-3,6,7,12-tetr... | 119551594.31 | 321146351.51 | 232023837.90 | 232145764.81 | |
| (R)-4-((3R,5R,6R,7S,8S,9S,10R,13R,14S,17R)-3,6,7-trihydroxy-... | 14360439.86 | 7583757.96 | 13326023.28 | 12422852.00 | |
| (R)-4-((3R,5R,6R,8S,9S,10R,13R,14S,17R)-3,6-dihydroxy-10,13-... | 1676149722.75 | 1307950285.00 | 1725501451.52 | 1839148301.76 | |
| (R)-4-((3R,5R,7R,8R,9S,10S,12S,13R,14S,17R)-7,12-dihydroxy-1... | 5297818.16 | 5074203.74 | 19023733.80 | 8791346.52 | |
| (R)-4-((3R,5R,8S,9S,10R,13R,14S,17R)-3-hydroxy-10,13-dimethy... | 4699886.94 | 3436257.43 | 17485658.72 | 9151086.81 | |
| (R)-4-((3R,5S,7S,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydrox... | 10494747343.98 | 11034356017.19 | 12416839930.68 | 13057096218.33 | |
| (R)-4-((3R,5S,7S,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-... | 218567586.87 | 162221083.28 | 181675344.36 | 198475806.55 | |
| (R)-4-((3R,5S,8R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethy... | 100278358.58 | 115107570.12 | 137624676.60 | 143146379.80 | |
| (R)-4-((3R,5S,8R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethy... | 69823732.04 | 96129007.13 | 71951913.94 | 93912342.69 | |
| (R)-4-((3S,5R,8R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethy... | 13258927.13 | 12924097.00 | 21308688.07 | 16829696.56 | |
| (R)-4-((5R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3-oxohexade... | 94932416.59 | 67418115.64 | 84457480.62 | 95562612.75 | |
| (R)-4-((7R,8S,9S,10R,13R,14S,17R)-7-hydroxy-10,13-dimethyl-3... | 514607.40 | 69343.05 | 5514252.51 | 211439.16 | |
| (R)-4-((8S,9S,10R,13R,14S,17R)-10,13-dimethyl-3-oxo-2,3,6,7,... | 606293682.77 | 1311951729.66 | 574821455.67 | 951425297.72 | |
| rac-B-tocopherol | 16251941.76 | 20445989.28 | 14762164.83 | 2982103.86 | |
| (R)-ar-Turmerone | 18914192.02 | 11405279.68 | 17718559.49 | 18038341.28 | |
| (R)-b-amino-isobutyric acid | 5272583.79 | 6399905.80 | 7340417.33 | 5428832.93 | |
| (R)-Higenamine | 10106522.74 | 534474.47 | 2133454.90 | 3629235.30 | |
| Rilmenidine | 58109401.99 | 26662129.17 | 46136991.77 | 48317221.15 | |
| RisedondrateNa | 3174330.37 | 2939451.10 | 2704893.52 | 2561512.14 | |
| Rivastigmine tartrate (Exelon) | 78648353.29 | 48096204.93 | 73491078.71 | 59405866.18 | |
| (R)-N-Methylsalsolinol | 16558501.15 | 18354220.59 | 18222989.87 | 13608417.25 | |
| Roccellaric acid | 7641871.12 | 4869710.71 | 22043076.22 | 8023282.05 | |
| (R)-Salsolinol | 21617952.45 | 12012900.50 | 13544223.26 | 16563111.15 | |
| Salicylaldehyde | 135185812.83 | 103740021.68 | 115981451.71 | 125565457.53 | |
| Salsoline | 21624580.82 | 26953538.68 | 34503091.75 | 36729302.60 | |
| Salsoline-1-carboxylate | 79247237.92 | 22987671.33 | 55699285.64 | 49671187.74 | |
| Salsolinol 1-carboxylate | 39583399.02 | 20837414.96 | 32354195.38 | 32997680.35 | |
| (+)-Samandarine | 28979098.86 | 37658067.86 | 89653000.88 | 54627171.75 | |
| Sarcosine | 12485522.34 | 17963057.71 | 15614020.92 | 10258580.90 | |
| Saringosterol 3-glucoside | 2234758.31 | 8176579.18 | 4157514.44 | 3664384.23 | |
| SC-514 | 17169453.58 | 18758631.32 | 10398130.58 | 14941547.95 | |
| Schidigeragenin B | 16337531.08 | 19213221.20 | 10428273.70 | 25730932.41 | |
| Scopoletin | 6717379.97 | 4232463.20 | 6069792.67 | 3950545.94 | |
| Sebacic acid | 10235887.84 | 5978813.29 | 10819517.72 | 9786348.94 | |
| Sebacic acid monomethyl ester | 12931311.96 | 8977524.43 | 11881873.11 | 12089020.97 | |
| Sedanonic acid | 32705635.78 | 48922920.35 | 19263986.38 | 36778476.25 | |
| Ser Arg Ser | 27045392.09 | 28880704.09 | 28566448.77 | 28030645.17 | |
| Ser Arg Tyr | 17522651.12 | 19897391.11 | 24499307.40 | 25907835.06 | |
| Ser Ile Leu Leu | 14729859.56 | 60125528.37 | 57672213.20 | 52650213.00 | |
| Serine | 102051911.46 | 73940412.93 | 57891896.72 | 94840328.80 | |
| Seritranolides C | 19868763.48 | 17094148.78 | 10825331.38 | 17844578.05 | |
| Ser Leu | 86930772.49 | 101213624.72 | 73654955.03 | 98073474.73 | |
| Ser-Leu | 6590671.12 | 5766802.71 | 8410430.58 | 4991990.41 | |
| Ser Leu Ile | 19863014.61 | 24793875.67 | 12838656.06 | 13802349.56 | |
| Ser Leu Leu Leu | 3042206.68 | 4016776.70 | 5342043.12 | 3501931.23 | |
| Serotonin | 10922803.35 | 10995155.63 | 17112047.76 | 16473754.64 | |
| Ser Phe | 23921272.44 | 21824000.82 | 9714894.69 | 25335481.11 | |
| Ser Ser Ile | 4221097.11 | 3855224.13 | 4109001.38 | 2095867.73 | |
| Ser Tyr Arg | 43638352.14 | 42706186.25 | 39621511.15 | 49885764.52 | |
| Serylvaline | 14601392.10 | 19583258.54 | 14038927.84 | 15649082.06 | |
| shandong university | 55002465.01 | 45452932.81 | 48052243.71 | 50296865.96 | |
| (S)-Hexahydropyrrolo[1,2-a]pyrazine-1,4-dione | 33875159.14 | 26223326.81 | 22756515.68 | 29513111.41 | |
| Sinapic acid | 21369263.45 | 15151234.91 | 26819571.46 | 23792946.96 | |
| SM 8:0;2O/22:1 | 20834836.63 | 11414517.30 | 12059913.48 | 18878171.79 | |
| (S)-MALATE | 1354111265.83 | 567520513.74 | 1398612133.04 | 1302412673.92 | |
| SM(d18:1/14:0) | 3795465.54 | 10507852.77 | 4754340.71 | 5684116.78 | |
| SM(d18:1/16:0) | 80252.23 | 39989.80 | 10392.14 | 39955.76 | |
| Sodium taurodeoxycholate | 34630270.61 | 33987111.18 | 22917882.68 | 30445473.66 | |
| Solasodine | 4451612.39 | 1937507.16 | 7122090.61 | 851799.71 | |
| Sotrastaurin | 7047700.03 | 7465875.82 | 4118687.41 | 6260870.24 | |
| Spermidine | 243992338.36 | 162832736.29 | 138072368.87 | 222362516.17 | |
| sphingosin C16 (Artifact)-emf | 5215720709.65 | 5643681800.45 | 7331771139.98 | 5834734987.10 | |
| Spirosta-3,5-diene | 20208197.34 | 29236788.54 | 20528944.39 | 24446318.43 | |
| Spirostane-3,6-dione | 9523990.67 | 11589207.53 | 8077041.70 | 16198622.45 | |
| Spisulosine | 63139474.37 | 57851841.22 | 107313071.52 | 65973110.39 | |
| (S)-p-Mentha-1,8-dien-10-yl acetate | 78079768.97 | 70532324.91 | 69225369.53 | 77325673.21 | |
| Stearidonic acid | 5877861.90 | 3649451.43 | 9345843.11 | 6101528.64 | |
| Stearoylethanolamide | 26792732.41 | 31665891.27 | 28811306.05 | 25566249.38 | |
| Stigmast-22-ene-3,6-dione | 83751116.04 | 55124553.54 | 185928133.09 | 88554677.40 | |
| Stigmast-4,22-diene-3,6-dione | 17592182.13 | 15518015.53 | 27472791.02 | 22276199.82 | |
| Stigmastan-3,5-diene | 17567266.39 | 59234035.57 | 25531467.67 | 60375665.93 | |
| Styrene | 10533779.15 | 7963090.59 | 9679404.43 | 10317579.72 | |
| Suberic acid | 13706542.84 | 9585066.89 | 14250299.21 | 13638692.55 | |
| Suberylglycine | 20938115.05 | 16724543.25 | 17388248.70 | 18971213.94 | |
| Succinate | 26991888.89 | 53465821.18 | 24161099.78 | 26523776.07 | |
| Sugeonol | 40880143.00 | 24623777.59 | 29555194.85 | 25882994.71 | |
| Sumaresinolic acid | 43610136.35 | 41943660.31 | 46145711.47 | 46610979.61 | |
| Taccagenin | 15137449.54 | 16700248.32 | 11401758.06 | 15245777.63 | |
| Taglutimida | 38462234.29 | 24048968.45 | 23933385.55 | 29942798.44 | |
| taurochenodeoxycholic acid | 65712604.85 | 20488727.27 | 14900794.49 | 38522254.15 | |
| Taurocholate | 12678137.29 | 17727453.97 | 11025001.43 | 11271223.49 | |
| Taurocholic acid | 12404812.36 | 8294655.47 | 3325143.19 | 8613898.68 | |
| taurohyodeoxycholic acid | 13414660.72 | 16620361.91 | 10024418.20 | 13982237.64 | |
| (±)-Tembamide | 9158455.95 | 8777700.85 | 14747106.38 | 9823601.04 | |
| Terbucarb | 11427818.28 | 14116633.83 | 19111721.77 | 8604698.25 | |
| tetradeca-2,4,6-trienoic acid | 24132935.78 | 19979016.71 | 29335869.97 | 29555095.65 | |
| tetradeca-3,5,7-trienedioic acid | 5500336.96 | 7014658.62 | 5932799.78 | 6310715.10 | |
| tetradeca-4,7,10-trienoic acid | 96242668.52 | 56847113.44 | 85372359.58 | 87493774.30 | |
| Tetradecylamine | 16602806.12 | 18055414.55 | 26670100.85 | 17564340.39 | |
| Tetrahydrodipicolinate | 61702098.78 | 32781317.71 | 67927742.98 | 54463334.35 | |
| Tetranor 12-HETE | 61570878.27 | 32644460.88 | 54465307.32 | 54780499.30 | |
| TG(10:0/8:0/i-13:0) | 16842896.35 | 4454654.31 | 8508182.60 | 7789723.69 | |
| TG 8:0_9:0_15:0 | 26940445.09 | 10123413.13 | 27414115.59 | 19273941.85 | |
| TG 8:0_9:0_16:1 | 3865526.18 | 512184.64 | 1115454.10 | 1357830.66 | |
| TG 8:0_9:0_17:1 | 13237118.66 | 10994373.44 | 20113210.79 | 14372333.96 | |
| TG(8:0/i-14:0/10:0) | 14611758.72 | 8112878.37 | 18881061.43 | 12005378.65 | |
| TG 9:0_13:1_18:4 | 804018.99 | 232209.29 | 417880.40 | 95272.44 | |
| Thalictroidine | 137174550.96 | 37880978.88 | 35870314.05 | 63059822.18 | |
| Thiamine cation | 597052257.26 | 154156059.20 | 205017522.00 | 156263756.77 | |
| Thionin | 2420233440.63 | 2048160706.04 | 2862518609.44 | 2870670898.12 | |
| Threoninyl-Valine | 19531664.86 | 47130609.94 | 55498132.92 | 43976967.66 | |
| Threonylvaline | 41607389.24 | 35558558.27 | 31829185.16 | 36254751.05 | |
| Thr Leu | 17128302.38 | 15507642.04 | 16805981.49 | 18040766.17 | |
| Thr-Leu | 171913160.63 | 134781977.01 | 154780627.80 | 161687998.73 | |
| Thr Leu Phe | 57689206.44 | 38236484.30 | 38418845.46 | 46354818.52 | |
| Thr Val Ile | 12300118.10 | 13975771.88 | 8834168.19 | 12394760.15 | |
| Thujyl 19-trachylobanoate | 13131952.28 | 12247775.44 | 22121314.96 | 14866049.82 | |
| Thymine | 596354245.58 | 485265776.57 | 730496323.04 | 695930587.12 | |
| Tibolone | 1650055.74 | 2206436.61 | 1864753.36 | 1313972.55 | |
| tigogenin | 71031592.45 | 69040372.38 | 78534629.73 | 72682752.42 | |
| Tolpropamine | 10535668.72 | 13657156.65 | 19258484.57 | 14428118.63 | |
| TOP19 Psoriasis feature - Unknown FeatureID=3668 | 73655549.12 | 53622801.27 | 51764578.73 | 48697953.59 | |
| TOP9 Psoriasis feature - Unknown FeatureID=656 | 12280604.12 | 3754711.72 | 8858752.38 | 7203528.54 | |
| Trachelanthamine oxide | 222487455.90 | 175181479.62 | 200319497.34 | 190408713.33 | |
| trans-11,cis-15-Octadecadienoic acid | 28760887.91 | 7753358.65 | 24242255.45 | 13859518.46 | |
| trans-Allo-ocimene | 46732228.40 | 53779580.74 | 50337767.25 | 48454293.19 | |
| Trans-Cinnamate | 94276559.37 | 59510995.36 | 66107398.95 | 76953767.30 | |
| trans-EKODE-(E)-Ib | 72830366.54 | 77240685.83 | 115412803.04 | 99668048.36 | |
| trans-Ferulic Acid | 162380692.73 | 93920451.02 | 180597383.48 | 139869696.83 | |
| trans-Zeatin | 796759044.06 | 721579186.00 | 934585489.96 | 931381793.00 | |
| Trehalose | 9500439.83 | 7852825.81 | 7451182.89 | 6797575.94 | |
| Tributylamine | 47096203.42 | 43941018.95 | 55775278.94 | 44421460.73 | |
| Tributyl Phosphate | 6732496.15 | 4317258.81 | 6527965.04 | 3643701.52 | |
| Tridec-8-enoylcarnitine | 435040311.13 | 104118199.67 | 77440519.88 | 188455355.49 | |
| Tridemorph | 9434577.28 | 9854077.06 | 14126077.78 | 9663422.25 | |
| Tridodecylamine | 5831121.80 | 4378039.92 | 10675610.75 | 2108540.13 | |
| Triethylamine | 190799658.47 | 199744895.32 | 108337910.01 | 150855436.66 | |
| Trigonelline | 22127717.60 | 12593422.70 | 16957098.76 | 22036512.94 | |
| Tromethamine | 40927458.67 | 40955836.56 | 37771491.12 | 41395380.25 | |
| Tropic acid | 65823899.11 | 39635725.60 | 46072048.28 | 52970143.05 | |
| Tryptophan Conjugated Muricholic Acid | 5789383.11 | 10833952.34 | 10545602.55 | 9369221.78 | |
| Tryptophol | 115130658.56 | 79385541.00 | 137657475.69 | 107695809.96 | |
| Tyramine glucuronide | 22271450.97 | 8363695.38 | 36661973.57 | 5774205.00 | |
| Tyr Asp Arg | 5774506.93 | 6062724.99 | 7485341.33 | 6714155.08 | |
| Tyr-C4:0 | 45274484.55 | 23830248.08 | 41132213.01 | 36850585.85 | |
| Tyr Leu | 78904724.44 | 37257305.33 | 36277135.60 | 43108269.15 | |
| Tyr-Pro | 114180171.14 | 87308369.52 | 81050554.63 | 96155809.33 | |
| Ubiquinone (Q2) | 65283018.17 | 41419617.96 | 50663977.09 | 56011533.62 | |
| undec-5-enedioic acid | 14638725.19 | 11600349.61 | 21207024.79 | 18390761.81 | |
| Uracil | 119499769.09 | 80797716.12 | 118271055.81 | 83074415.79 | |
| Urobilin | 8852398.78 | 10434255.16 | 9557812.60 | 8734962.65 | |
| Urobilinogen | 107464473.12 | 293668284.22 | 103853278.48 | 160456928.75 | |
| Urocanic acid | 534688915.58 | 307350725.68 | 502007283.07 | 479145370.42 | |
| Urothion | 11017201.50 | 21576751.08 | 15574537.73 | 12760654.07 | |
| Vaccenyl carnitine | 27607696.35 | 99882489.24 | 63429924.22 | 45109688.69 | |
| Val | 3135382365.78 | 1929422022.73 | 1984134433.93 | 2454992827.06 | |
| Val-DCA | 14635658.59 | 15468522.70 | 7227188.75 | 11924881.81 | |
| Valine | 5336737081.05 | 4380935046.81 | 3024122627.75 | 4300131281.32 | |
| Val Pro | 54718944.72 | 109387325.96 | 36065737.24 | 63128834.68 | |
| Val Trp | 6100778.34 | 7312113.59 | 5931928.04 | 6595250.11 | |
| Val-val | 8497959.89 | 6806845.01 | 3514165.31 | 5003035.19 | |
| Val Val Ala | 18740671.33 | 18333863.01 | 24904305.33 | 24319069.50 | |
| Val Val Ile | 12577352.50 | 14459605.84 | 12237782.99 | 14086531.59 | |
| Valylhydroxyproline | 33099413.38 | 27036683.27 | 76220461.18 | 49464113.09 | |
| Valylisoleucine | 139229653.90 | 135263632.80 | 243372793.07 | 266564357.15 | |
| Valylproline | 190860645.53 | 190038990.70 | 184133468.79 | 189194545.10 | |
| Vanillin | 26977840.55 | 11876124.73 | 17676392.23 | 17583399.85 | |
| Vinylcyclohexene | 79614012.69 | 34442550.38 | 38250152.94 | 49680951.46 | |
| Violet-leaf aldehyde | 42953233.82 | 45295544.50 | 40150684.70 | 52959904.15 | |
| VitB12 | 26744552.89 | 33971928.99 | 25875072.79 | 19815828.68 | |
| Walleminone | 30431931.44 | 23722554.03 | 27728253.13 | 29431753.31 | |
| Xanthosine | 13527424.50 | 36716399.71 | 16238064.61 | 20542132.94 | |
| Xestoaminol C | 496205732.16 | 477806155.98 | 628955483.55 | 495185933.25 | |
| (Z)-3-Hexenal | 1328702204.21 | 1374842486.60 | 1200608757.96 | 1052154413.16 | |
| (Z)-3-Methyl-2-(2-pentenyl)-2-cyclopenten-1-one | 23031829.88 | 16487993.99 | 19163901.52 | 30334643.86 | |
| (Z)-4-Hepten-1-ol | 39429224.64 | 49924720.10 | 41881586.23 | 43253276.87 | |
| (Z)-4-Hexenal | 711796059.02 | 712679426.95 | 676656569.67 | 704570869.29 | |
| (Z)-5-[(2R,3S,4S)-4-Hydroxy-2-[(E)-3-hydroxyoct-1-enyl]oxan-... | 33932346.69 | 20452479.80 | 26881557.52 | 27309255.28 | |
| (Z)-5,8,11-trihydroxyoctadec-9-enoic acid | 1984573.57 | 1508124.24 | 1541633.98 | 1542768.29 | |
| (Z)-6-Tetradecene-1,3-diyne-5,8-diol | 68040092.10 | 44837124.89 | 63755261.82 | 60250205.02 | |
| Zerumbone oxide | 22634716.69 | 23161625.17 | 30345740.81 | 31717218.29 | |
| ε-Caprolactone | 48728303.95 | 26074217.98 | 56415005.08 | 56648244.11 |
Factors:
| F1 | Sample source:feces | Treatment:OVX + normal saline |
| F2 | Sample source:feces | Treatment:OVX + r-irisin |
| F3 | Sample source:feces | Treatment:Sham + normal saline |
| F4 | Sample source:QC | Treatment:Quality Control |
