Data for ST003622
| Metabolite structure | All data | F1 | F2 | F3 | F4 | F5 |
|---|---|---|---|---|---|---|
| 10-Oxodecanoate | - | 13575.90 | 10971.26 | 12099.31 | ||
| (10S)-Juvenile hormone III diol | 19827.72 | 36152.52 | 15980.41 | 28640.31 | ||
| 1,1,1-Trichloro-2,2-bis(4-hydroxyphenyl)ethane | 61982.98 | 55027.99 | 61382.67 | 57493.64 | ||
| 11-Hydroxycanthin-6-one | 22705.18 | 22380.92 | 21767.42 | 23823.27 | ||
| 1,2,3,7,8-Pentachlorodibenzofuran | 239015.72 | 248964.96 | 240552.73 | 243661.71 | ||
| 1,2-Dehydroreticuline | 14566.36 | 13126.24 | 13697.26 | 13060.29 | ||
| 12-Hydroxydodecanoic acid | 61970.67 | 57415.18 | 69823.66 | 64301.74 | ||
| 12-Sulfooxyjasmonate | 4853056.54 | 4910339.04 | 4930086.97 | 4637002.77 | ||
| 1-(3,4-Dihydroxyphenyl)-5-hydroxy-3-decanone | 11676.34 | 19155.58 | 12369.66 | 13079.95 | ||
| 1,4-Dichlorobenzene | 40482.50 | 37973.39 | 45303.30 | 38482.39 | ||
| 1-(5-Phosphoribosyl)-4-(N-succinocarboxamide)-5-aminoimidazo... | 10152.91 | 20543.01 | 16170.45 | 9915.97 | ||
| 16-Hydroxypalmitate | 25748.36 | 22039.38 | 22585.89 | 22960.84 | ||
| 1,6-Naphthalenedisulfonic acid | 71118.47 | 76023.34 | 74225.65 | 70508.66 | ||
| 1,9b-dihydroxy-6,6,9a-trimethyl-1,5,5a,7,8,9-hexahydrobenzo[... | 19545.20 | 32998.39 | 13777.80 | 16893.39 | ||
| 1^-Acetoxychavicol acetate | 41645.03 | 40443.66 | 42202.64 | 42346.37 | ||
| 1alpha,5alpha-Epidithio-17a-oxa-D-homoandrostan-3,17-dione | 39264.20 | 38438.83 | 42115.35 | 38983.00 | ||
| 1H-2-benzopyran-1-one, 6,8-dihydroxy-3-methyl- | 83126.33 | 98970.17 | 68447.71 | 81135.80 | ||
| 1-Naphthalenesulfonic acid | 42919.39 | 44216.70 | 42749.11 | 42929.76 | ||
| 1-Phenyl-3-(phenylsulfonyl)-2-propen-1-one | 34347.16 | 43993.70 | 35781.71 | 27473.82 | ||
| (1R,6R)-6-Hydroxy-2-succinylcyclohexa-2,4-diene-1-carboxylat... | 9562.64 | 9706.82 | 12020.38 | 9819.74 | ||
| (1-Ribosylimidazole)-4-acetate | 85493.81 | 79876.67 | 97629.42 | 76622.55 | ||
| 2,2^,4,4^,5,5^-Hexachlorobiphenyl | 12578.37 | 14241.02 | 11810.20 | 12825.02 | ||
| 2,2-Dimethyl-3-[4-(acetyloxy)phenyl]-4-ethyl-2H-1-benzopyran... | 117976.33 | 114728.19 | 116381.16 | 117809.10 | ||
| 2,3,3^,4,5-Pentachlorobiphenyl | 53460.99 | 53502.27 | 52169.81 | 52885.53 | ||
| 2,3,9,10-Tetrahydroxyberbine | 9617.13 | 8902.67 | 9884.75 | 10083.16 | ||
| 2^,3^-Cyclic UMP | 115352.76 | 100096.88 | 122755.48 | 101918.44 | ||
| 2,3-Dibromo-1-propanol | 236874.01 | 214267.09 | 234956.61 | 235072.46 | ||
| 2,3-Dihydroxy-p-cumate | 18563.98 | 19572.94 | 16382.67 | 16897.66 | ||
| 2,4,6-Tribromophenol | 76447.14 | 81714.15 | 72951.47 | 80123.39 | ||
| 2,4,6-Trichlorophenol | 96821.64 | 97079.40 | 97479.33 | 99460.93 | ||
| 2,4,6-Trihydroxybenzophenone | 40559.33 | 41592.67 | 42287.86 | 42397.35 | ||
| 2-[5-[2-[2-[5-(2-hydroxypropyl)oxolan-2-yl]propanoyloxy]prop... | 78786.93 | 147846.59 | 64490.14 | 89766.95 | ||
| 2,6-Diamino-7-hydroxy-azelaic acid | 92541.59 | 90883.60 | 90869.55 | 100310.63 | ||
| 2,7-Anhydro-alpha-N-acetylneuraminic acid | 32663.77 | - | 39228.56 | 34869.95 | ||
| 2-Aceto-2-hydroxybutanoate | - | - | 38496.11 | 34890.96 | ||
| 2alpha-Methyl-17beta-[(tetrahydro-2H-pyran-2-yl)oxy]-5alpha-... | 26370.59 | 26800.79 | 26443.11 | 26007.14 | ||
| 2-Amino-5-chloromuconate 6-semialdehyde | 15117.63 | 21652.66 | 17337.57 | 26334.28 | ||
| 2-Aminoadenosine | 10609.80 | 10650.72 | 10186.72 | 10433.05 | ||
| 2-Chloro-cis,cis-muconate | 150872.62 | 135437.21 | 151280.58 | 143437.65 | ||
| 2-Chlorophenylhydrazine hydrochloride | 16116.75 | 13943.80 | 14639.11 | 19168.08 | ||
| 2-Ethylhexyl phthalate | 29928.08 | 30651.09 | 30630.58 | 32555.61 | ||
| 2-Hydroxy-4-methylpentanoate | 298804.44 | 328278.23 | 288853.87 | 276194.52 | ||
| 2-Hydroxy-6-oxo-(2^-aminophenyl)-hexa-2,4-dienoate | 162325.29 | 147883.65 | 171084.37 | 149866.35 | ||
| 2^-Hydroxybiphenyl-2-sulfinate | 7550.16 | 8781.95 | 5342.24 | 8203.31 | ||
| 2-Hydroxyethanesulfonate | 121670.11 | 109404.44 | 122450.85 | 112937.90 | ||
| 2-Hydroxymethylclavam | 18925.11 | 24238.59 | 18024.23 | 18408.40 | ||
| 2-Iodophenol | 64748.53 | 60821.23 | 65731.45 | 64598.76 | ||
| 2-Iodophenol methyl ether | 16445.96 | 12922.97 | 18387.74 | 16984.48 | ||
| 2-[(L-Alanin-3-ylcarbamoyl)methyl]-2-hydroxybutanedioate | 21287.58 | 21778.63 | 19061.04 | 20353.37 | ||
| 2-Methylglutaric acid | 34677.32 | 42922.57 | 35330.48 | 34269.48 | ||
| 2-METHYLLACTIC ACID | 873104.06 | 1000284.29 | 778645.21 | 886383.82 | ||
| 2^^^-N-Acetyl-6^^^-deamino-6^^^-hydroxyneomycin C | 17197.66 | 18913.07 | 25139.35 | 18155.56 | ||
| 2^^^-N-Acetyl-6^^^-deamino-6^^^-hydroxyparomomycin II | 270497.60 | 272294.22 | 249756.48 | 270467.89 | ||
| 2-Oxoadipate | 144202.30 | 254357.83 | 92402.41 | 113182.70 | ||
| 2-Oxobutanoate | 126449.08 | 141853.36 | 138048.74 | 127910.50 | ||
| 2-Oxoglutaric acid | 333636.38 | 432357.51 | 296636.24 | 299965.05 | ||
| 2-Phosphoglycolate | 32438.32 | 32580.32 | 32256.74 | 32394.90 | ||
| (2R,3R)-2-(2,6-dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydro... | 52365.35 | 34501.06 | 61635.42 | 63282.06 | ||
| (2R,3R,4S,5S,6R)-2-[(3R)-1,7-bis(3,4-dihydroxyphenyl)heptan-... | 55032.25 | 54479.91 | 54650.54 | 53943.72 | ||
| [(2R,3S,4R)-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-2-(hydroxy... | 184254.09 | 211299.39 | 184511.89 | 176413.13 | ||
| 3-(2,6-dihydroxyphenyl)-4-hydroxy-6-methyl-3H-2-benzofuran-1... | 89127.05 | 92508.96 | 92953.43 | 86170.28 | ||
| 3-(3,4-Dihydroxyphenyl)lactate | 52476.26 | 45261.58 | 61582.56 | 47845.53 | ||
| 3-(3,4-Dihydroxypyridin-1-yl)-L-alanine | 63409.13 | 51162.09 | 70439.79 | 56545.17 | ||
| 3,4,3^-Tri-O-methylellagic acid | 31597.82 | 30342.65 | 32317.01 | 32582.75 | ||
| 3,4-Dihydroxymandelate | 43122.81 | 40948.46 | 43651.82 | 40970.49 | ||
| 3,4-Dimethoxycinnamic acid | 33875.18 | 28737.79 | 32769.20 | 33486.35 | ||
| 3-(4-Hydroxyphenyl)pyruvate | 31578.04 | 30633.25 | 53842.25 | 39972.90 | ||
| 3-[4-methyl-1-(2-methylpropanoyl)-3-oxocyclohexyl]butanoic a... | 72442.80 | 186132.06 | 23187.70 | 50698.28 | ||
| 3^,5^-Cyclic AMP | 11371.93 | 12914.24 | 12256.45 | 11688.46 | ||
| 3^,5^-Cyclic IMP | 92564.18 | 84095.28 | 106992.98 | 79720.81 | ||
| 3,5-Dichloro-L-tyrosine | 44026.03 | 43373.64 | 45372.23 | 41318.03 | ||
| 3-(8-hydroxyoctyl)phenol | 126610.12 | 126570.23 | 127261.75 | 112421.60 | ||
| 3-Carboxy-cis,cis-muconate | 72798.27 | 70569.94 | 70752.34 | 72842.25 | ||
| 3-Chlorosalicylanilide | 29715.36 | 43572.86 | 79794.93 | 13259.93 | ||
| 3-Dehydroquinate | 87944.39 | 96539.99 | 97862.28 | 86957.76 | ||
| 3-Dehydroshikimate | 62919.60 | 66360.12 | 66021.15 | 65579.13 | ||
| (3E)-4-(2-Carboxyphenyl)-2-oxobut-3-enoate | 56558.47 | 52687.21 | 61903.84 | 56269.14 | ||
| 3-hydroxy-3-methyl-5-oxo-5-[[(2R,3S,4S,5R,6S)-3,4,5-trihydro... | 23459.90 | 23365.46 | 24245.38 | 27837.58 | ||
| 3-Hydroxy-3-methylglutaric acid | 132306.70 | 185364.84 | 120578.05 | 117236.78 | ||
| 3-Hydroxybutyric acid | 1797585.39 | 2082400.69 | 1561084.24 | 1576653.65 | ||
| 3-Hydroxycapric acid | 81187.06 | 66221.27 | 103339.08 | 69057.11 | ||
| 3-Hydroxyhexobarbital | 70876.00 | 69681.36 | 69334.42 | 70371.44 | ||
| 3-Hydroxyquinine | 26673.72 | 26873.39 | 26818.93 | 27415.41 | ||
| 3-Hydroxyvaleric acid | 1352498.57 | 1587145.45 | 1200280.04 | 1269903.53 | ||
| 3-Methyl-2-oxobutanoic acid | 313587.92 | 309517.77 | 327862.40 | 299994.19 | ||
| 3-Methyl-2-oxovaleric acid | 515296.10 | 490977.90 | 625571.42 | 430698.46 | ||
| 3-Oxododecanoic acid | 97824.70 | 94081.91 | 102764.34 | 101030.30 | ||
| 3-Phosphonooxypyruvate | 58312.28 | 61287.53 | 54098.74 | 61830.65 | ||
| 3-Sulfocatechol | 22156.51 | 35431.64 | 30032.97 | 30545.84 | ||
| 4,4-Disubstituted cyclohexenone | 168942.22 | 113745.95 | 221112.08 | 172292.96 | ||
| 4,4^-Methylenebis(N,N-dimethylaniline) | 32047.85 | 58323.02 | 29587.99 | 55791.53 | ||
| 4,5,6,7-Tetrachloro-2-trifluoromethylbenzimidazole | 100886.08 | 103789.52 | 99343.38 | 96891.87 | ||
| 4,5-Methylenedioxy-6-hydroxyaurone | 19816.85 | 22122.85 | 26609.31 | 21473.72 | ||
| 4^-Apo-beta,psi-caroten-4^-al | 209958.20 | 253568.93 | - | 210490.28 | ||
| 4-(beta-D-Glucosyloxy)benzoate | 15554.95 | 17531.44 | 13990.03 | 11877.68 | ||
| 4-Bromophenylacetate | 37272.02 | 42212.92 | 33185.69 | 36860.15 | ||
| 4-Chlorocatechol | 35832.16 | 36035.44 | 48161.59 | 31542.11 | ||
| 4-Chlorophenol | 43027.91 | 39154.85 | 41887.92 | 39729.98 | ||
| 4-Hydroxy-6-methylpretetramide | 360837.62 | 285191.89 | 267336.55 | 423323.24 | ||
| 4-Hydroxybenzoate | 32975.51 | 40718.42 | 30805.19 | 28019.86 | ||
| 4-Hydroxybutanoic acid | 26864.27 | 28310.28 | 31517.43 | 28016.20 | ||
| 4-Hydroxycinnamyl alcohol 4-D-glucoside | - | 18060.87 | - | 13773.01 | ||
| 4-Hydroxyphenylacetate | 10991.54 | 11379.91 | 11172.97 | 11089.05 | ||
| 4-Imidazolone-5-propanoate | 12773.54 | 16728.23 | 13036.99 | 14022.03 | ||
| 4-Isopropylbenzaldehyde | 12677.70 | 13321.84 | 13581.02 | 13049.93 | ||
| 4-Maleylacetoacetate | 27525.26 | 33859.29 | 28461.19 | 25412.06 | ||
| 4-Methylumbelliferone sulfate | 32728.03 | 38059.79 | 47705.70 | 30242.77 | ||
| 4-Nitrophenol | 23664.92 | 28285.22 | 22440.08 | 21650.82 | ||
| 4-oxo-5-phenylpentanoic acid | 146359.25 | 147956.02 | 145889.10 | 148605.80 | ||
| 4-Pyridoxate | 16782.52 | 25695.94 | 21474.29 | 17553.02 | ||
| 5,10-Methenyltetrahydrofolate | 15769.55 | 18506.86 | 17949.88 | 19640.88 | ||
| 5,10-Methylenetetrahydromethanopterin | 860928.21 | 847743.32 | 907790.61 | 804447.20 | ||
| 5,6-Dichloro-1,3-cyclohexadiene | 129419.03 | 112647.81 | 121327.83 | 126125.29 | ||
| 5,6-dihydropenicillic acid | 11020.35 | 10833.19 | 11199.67 | 11002.84 | ||
| 5-Aminolevulinate | 40906.39 | 47501.56 | 40020.60 | 36186.81 | ||
| 5^-Butyrylphosphoinosine | 49026.05 | 44595.72 | 55245.62 | 49112.29 | ||
| 5-Fluorodeoxyuridine monophosphate | 25394.97 | 20147.77 | 32939.92 | 30020.62 | ||
| 5-Hydroxy-2-oxo-4-ureido-2,5-dihydro-1H-imidazole-5-carboxyl... | 307855.01 | 290545.47 | 305223.07 | 309931.39 | ||
| [5-hydroxy-3-(hydroxymethyl)-2-oxo-6-propan-2-ylcyclohex-3-e... | 26010.94 | 83025.43 | 11253.28 | 35280.41 | ||
| 5-Methoxy-3-indoleacetic acid | 31490.35 | 34569.80 | 35581.57 | 26787.45 | ||
| 5-Methoxypsoralen | 12100000.00 | 11566666.67 | 13450000.00 | 12293416.09 | ||
| 5^-Methylthioadenosine | 12910.55 | 18817.03 | - | 18593.49 | ||
| 5-Phosphoribosylamine | 12072.12 | 11870.01 | 11779.01 | 11677.14 | ||
| 5^-Phosphoribosyl-N-formylglycinamide | 25891.36 | 26282.06 | 24821.54 | 25534.30 | ||
| 6-Benzylaminopurine | 10274.04 | 10617.33 | 10028.72 | 10370.21 | ||
| 6-Chlorobenzene-1,2,4-triol | 56256.12 | 56465.07 | 56586.14 | 55403.27 | ||
| 6^^^-Deamino-6^^^-oxoparomomycin II | 696240.75 | 713571.02 | 652944.99 | 698966.60 | ||
| 6-Deoxy-6-sulfo-D-fructose 1-phosphate | 52808.99 | 48991.40 | 60567.19 | 40057.66 | ||
| [6]-Gingerol | 286448.35 | 285037.37 | 223273.68 | 361243.98 | ||
| 6-Hydroxyindolelactate | 9616.28 | 17785.40 | - | 13099.27 | ||
| 6-Hydroxymelatonin | 11901.20 | 12458.44 | 11154.48 | 11270.77 | ||
| 6?-Naltrexol | 17782.78 | 15754.31 | 16755.88 | 16645.23 | ||
| 6-Phospho-2-dehydro-D-gluconate | 35500.11 | 35487.51 | 37691.23 | 33448.69 | ||
| (6R)-10-Formyltetrahydropteroyldiglutamate | 12381.25 | 16827.77 | 20441.09 | 17896.01 | ||
| 7,3^-Dihydroxy-4^-methoxy-8-methylflavan | 58009.78 | 55684.08 | 57569.65 | 57157.19 | ||
| 8-Amino-7-oxononanoate | 36632.21 | 18638.11 | 16218.81 | 17319.90 | ||
| 8-Hydroxy-3,4-dichlorodibenzofuran | 37809.62 | 36891.34 | 36486.29 | 36456.44 | ||
| (9E)-11a-hydroxy-3,6,10-trimethyl-6,7,8,11-tetrahydro-4H-cyc... | 116840.19 | 124132.14 | 123539.03 | 130253.04 | ||
| 9-methoxycarbonyldec-9-enoic acid | 50404.27 | 48116.61 | 47205.30 | 56023.85 | ||
| (9R,10R)-Dihydroxyoctadecanoic acid | 51695.98 | 49792.19 | 43972.08 | 49031.52 | ||
| (9Z,11E)-(13S)-13-Hydroperoxyoctadeca-9,11-dienoic acid | 24345.88 | 43032.27 | 25523.54 | 33579.82 | ||
| (9Z)-(7S,8S)-Dihydroxyoctadecenoic acid | - | 25676.09 | 24741.60 | 22696.87 | ||
| Abscisic acid glucose ester | 15001.29 | 12396.50 | 20471.26 | 15534.41 | ||
| Acacetin | 28081.69 | 26212.80 | 31534.77 | 26826.82 | ||
| (-)-Acanthocarpan | 26749.76 | 24452.22 | 26007.45 | 26047.42 | ||
| Acetate | 127506.28 | 151191.83 | 111268.74 | 117795.05 | ||
| Acetochlor | - | 10285.28 | - | 10833.55 | ||
| Acetylenedicarboxylate | 5437320.30 | 5838820.26 | 5205856.69 | 5131364.69 | ||
| Acetylleucine | 93898.67 | 168531.38 | 31091.75 | 92071.94 | ||
| Adenosine Monophosphate | 242354.51 | 209884.34 | 251859.75 | 290505.26 | ||
| Affinisine | 12075.90 | 13628.47 | 13427.18 | 14267.61 | ||
| Agathisflavone | 8798.09 | 7914.20 | 8631.55 | 8759.77 | ||
| Agnuside | 12362.33 | 11933.63 | 11999.57 | 11426.10 | ||
| Allocryptopine | 38469.18 | 27792.95 | 50192.46 | 40089.88 | ||
| alpha-Ribazole | - | 14498.95 | 21260.42 | 16927.96 | ||
| alpha-Santonin | 39833.92 | 45270.18 | 38411.41 | 35621.02 | ||
| Alprazolam | 13941.18 | 13437.99 | 14141.14 | 13635.27 | ||
| Aminoparathion | 21009.06 | 20476.76 | 23386.78 | 21288.37 | ||
| Angelicin | - | 27792.33 | 24014.13 | 21642.88 | ||
| Anhydrochlortetracycline | 10030.48 | - | 9834.16 | 10327.26 | ||
| Apiole | 25760.63 | 23452.77 | 24203.67 | 24221.40 | ||
| Aplysin | 122884.00 | 95636.66 | 124200.20 | 116239.18 | ||
| Aprobarbital | 31512.21 | 36775.29 | 30420.10 | 33166.71 | ||
| Arabinofuranosyluracil | 169956.73 | 170208.90 | 190864.14 | 161397.70 | ||
| Aryl sulfate | 929724.76 | 1064712.85 | 535848.26 | 1025872.09 | ||
| Ascorbate | 70418.65 | 62849.93 | 88575.88 | 69256.24 | ||
| Ascorbate 2-sulfate | 365912.96 | 313968.75 | 418719.84 | 375071.14 | ||
| Asparagusate | 41706.54 | 37552.55 | 39487.24 | 41308.43 | ||
| Aspartame | 18479.81 | 24801.83 | - | 22281.66 | ||
| Aspidoalbine | 10337.00 | 9582.72 | 10282.66 | 10753.43 | ||
| Aspulvinone G | 18549.68 | 20095.09 | 21274.98 | 18451.43 | ||
| Asulam | 23185.97 | 25359.61 | 24655.27 | 24646.07 | ||
| Atractylone | 985093.66 | 928991.42 | 1092565.27 | 969479.99 | ||
| AZELAIC ACID | 108816.28 | 120821.76 | 96669.28 | 105486.73 | ||
| Bakkenolide A | 13534.14 | 15771.91 | 13211.78 | 15036.69 | ||
| Barium cation | 45717.07 | 39647.68 | 49878.88 | 44200.64 | ||
| Beclomethasone | 14237.91 | 19046.52 | 13686.52 | 20024.49 | ||
| Bendiocarb | 12250.51 | 15604.65 | 23192.90 | 10185.20 | ||
| Benquinox | - | 11831.14 | 11289.12 | 10279.32 | ||
| Benzimidazole | 32120.44 | 35510.25 | 28897.29 | 30838.21 | ||
| Benzoate | 24081.48 | 22304.77 | 22612.89 | 22818.92 | ||
| Benzofenap | 28919.77 | 27882.49 | 31682.32 | 26869.03 | ||
| Benzoylprop-ethyl | 15831.97 | 16961.14 | 18794.36 | 14562.20 | ||
| Benzyl alcohol | 52078.00 | 53084.77 | 67615.80 | 39634.67 | ||
| Bergapten | 179523.36 | 107249.82 | 202604.77 | 177730.68 | ||
| beta-1,2,3,4,5,6-Hexachlorocyclohexane | 34818.61 | 39287.43 | 33685.94 | 35876.74 | ||
| beta-Cyclopiazonate | 13034.22 | 24250.71 | - | 12055.72 | ||
| beta-Funaltrexamine | 14562.65 | 34345.58 | 30416.90 | 25494.95 | ||
| Bialaphos | 28223.84 | 27967.33 | 28082.78 | 28457.32 | ||
| Bikaverin | 32018.10 | 30195.93 | 41119.00 | 39248.52 | ||
| Biochanin A-beta-D-glucoside | 9835.39 | 10381.95 | 10642.64 | 9942.60 | ||
| BIOTIN | 46616.58 | 44179.18 | 45849.88 | 46969.76 | ||
| Biotin sulfoxide | 7327.92 | 11519.90 | 8987.31 | 7634.89 | ||
| Bis(4^-chlorophenyl)methane | 17614.71 | 16967.70 | 17223.94 | 16931.53 | ||
| Borreline | 57900.13 | 57410.03 | 67398.89 | 69572.19 | ||
| Borrerine | 60795.48 | 66183.78 | 78907.37 | 60375.52 | ||
| Botrydial | 23882.34 | 21271.75 | 23054.72 | 23394.08 | ||
| Brimonidine | - | 15167.29 | 15145.46 | 15346.23 | ||
| Bruceoside A | 50862.59 | 51147.47 | 47141.23 | 49399.07 | ||
| Bupivacaine | 20068.80 | 25058.66 | 37045.59 | 21546.20 | ||
| Busulfan | 57753.89 | 49949.71 | 69373.02 | 54801.77 | ||
| Butachlor | 11640.69 | 10482.16 | - | 11074.61 | ||
| C11-LAS (STANDARD MIX) | 336899.56 | 327679.86 | 331672.31 | 334853.73 | ||
| C6H9NO3 | 46728.05 | 88569.42 | 28898.08 | 47379.69 | ||
| C8H8O5 | 190100.28 | 171371.51 | 171508.04 | 172893.99 | ||
| Cajanol | 68053.62 | 60120.99 | 65511.30 | 71286.29 | ||
| Calcitriol | 11653.07 | 12371.91 | 11928.01 | 11542.04 | ||
| Canavanine | 10441.80 | 10988.12 | 10305.05 | 10490.73 | ||
| Carbetamide | 11490.77 | 18709.37 | 16302.87 | 12752.42 | ||
| Ceftazidime | 23400.93 | 20336.24 | 34067.66 | 21022.81 | ||
| Ceftizoxime sodium | 76858.97 | 66502.09 | 81225.51 | 89831.72 | ||
| Chanoclavine-I | 13881.68 | 21616.91 | - | 13448.56 | ||
| Chenodeoxycholate | 10652.52 | 24052.40 | - | 23766.39 | ||
| Chloralose | 11989.53 | 11299.48 | 11668.73 | 11086.00 | ||
| Chloroquine | 44939.65 | 43834.98 | 44901.87 | 45717.26 | ||
| Chlorphenesin | 68606.26 | - | 39358.47 | - | ||
| Chlorpromazine | 18437.71 | 21701.80 | 17895.52 | 18531.28 | ||
| CHOLIC ACID | 51780.67 | 111590.97 | 29028.52 | 50965.71 | ||
| Chrysene | 18418.50 | 17195.96 | 16275.10 | 17009.24 | ||
| Cinoxacin | 1131695.23 | 1066598.91 | 1412889.79 | 948324.05 | ||
| cis-1,2-Dihydroxy-1,2-dihydrodibenzothiophene | 64676.28 | - | 67722.30 | 51101.75 | ||
| cis-2,3-Dihydro-2,3-dihydroxybiphenyl | 28035.53 | 29198.22 | 36010.54 | 27909.80 | ||
| cis-2,3-Dihydroxy-2,3-dihydro-p-cumate | 12338.90 | 11610.38 | 11976.29 | 11967.54 | ||
| cis-2-Chloro-4-carboxymethylenebut-2-en-1,4-olide | 18105.18 | 22267.07 | 18467.88 | 18818.04 | ||
| cis-3,4-Leucopelargonidin | 152851.60 | 151229.31 | 172137.11 | 144221.10 | ||
| cis-Aconitate | 99729.65 | 95434.37 | 128059.32 | 84858.46 | ||
| cis-N-Methyl-(S)-7,8,13,14-tetrahydroprotoberberine | 22831.00 | - | 54806.62 | - | ||
| Citric acid | 6228813.47 | 7391749.02 | 6050564.59 | 6446970.62 | ||
| Citrinin | 90210.56 | 90857.00 | 93771.99 | 92683.72 | ||
| Clomazone | 57215.13 | 53248.30 | 54915.07 | 55145.40 | ||
| Clomiphene | 8704.13 | 10699.78 | 9368.54 | 9790.45 | ||
| Clozapine | 31029.73 | 25889.85 | 34331.98 | 29347.80 | ||
| CNQX | 55905.83 | 57735.24 | 57798.88 | 55537.12 | ||
| Coformycin | 45757.09 | 39504.17 | 48555.89 | 37894.93 | ||
| Columbamine | 39516.79 | 41583.83 | 36157.33 | 43845.32 | ||
| Compound II(R/S) | 22575.98 | 23280.17 | 23438.19 | 22686.32 | ||
| Convalloside | 7959.11 | 10249.09 | 12129.26 | - | ||
| Convoline | 30601.19 | 34798.97 | 28642.04 | 31688.21 | ||
| Cortisone | - | 62623.48 | - | 100506.67 | ||
| Costatol | 9296.49 | 9503.44 | 9638.92 | 9012.36 | ||
| Creatine | 29648.61 | 29113.89 | 24582.24 | 32889.00 | ||
| Crotanecine | 9402.55 | 18563.23 | - | 13873.98 | ||
| Cupreine | 17917.52 | 22428.81 | 26875.15 | 22236.50 | ||
| Cyanazine | 30702.84 | 29223.77 | 30350.93 | 30672.15 | ||
| Dacthal | 73610.66 | 70846.30 | 72700.27 | 73024.06 | ||
| Daphnetoxin | 3181879.59 | 3630680.85 | 2908150.95 | 3132620.81 | ||
| D-Arabinono-1,4-lactone | 104563.53 | 110807.51 | 108362.69 | 99684.43 | ||
| Deacetylcolchicine | 105303.58 | 94403.60 | 102282.22 | 100882.23 | ||
| Deazaflavin | 39347.99 | 51364.22 | 27697.44 | 43663.88 | ||
| Dechloroethylcyclophosphamide | 55545.71 | 51978.92 | 60383.91 | 54986.38 | ||
| delta-3,4,5,6-Tetrachlorocyclohexene | 4066.21 | - | 5048.47 | 5310.17 | ||
| Deoxyuridine | 33151.28 | 38540.62 | 31144.56 | 31986.86 | ||
| Dexamethasone sodium phosphate | 54546.62 | 52800.06 | 53897.26 | 54096.72 | ||
| Dexmedetomidine | 93504.95 | 87568.65 | 98116.39 | 97190.30 | ||
| D-Galactose 6-sulfate | 37305.68 | 40277.93 | 42851.88 | 37065.97 | ||
| D-Gluconic acid | 59635.27 | 79066.55 | 61045.08 | 45023.60 | ||
| D-Glucose | 207021.29 | 200979.88 | 230353.06 | 208275.48 | ||
| Dibenz[a,h]acridine | 55840.90 | 54570.89 | 55623.22 | 56394.39 | ||
| Dibenzylsuccinate | 11595.69 | 14592.93 | 14330.03 | 11624.69 | ||
| Dibutyl adipate | 30787.71 | 89044.75 | 23379.46 | 35598.02 | ||
| Dicamba | - | 60406.73 | 280440.40 | 443771.10 | ||
| Dichlorvos | 122427.10 | 125948.03 | 99639.93 | 122653.09 | ||
| Diclofop | 25139.39 | 23704.24 | 23438.98 | 24132.74 | ||
| Dicumarol | 49689.63 | 28342.29 | 57042.16 | 58906.78 | ||
| Diflunisal | 16139.41 | 17030.97 | 16686.08 | 14027.18 | ||
| Dihydrolipoate | 92577.53 | 88261.52 | 131955.35 | 104548.25 | ||
| Dihydropteroate | 12848.35 | 12823.96 | 12533.06 | 12728.94 | ||
| Dihydrosanguinarine | 31911.28 | 21173.34 | 50840.53 | 25609.75 | ||
| DIMBOA-glucoside | 15398.67 | 17452.75 | 20001.09 | 16858.27 | ||
| Dimethyl telluride | 9923.80 | 11527.30 | 10582.13 | 11017.31 | ||
| Dimexano | 41296.18 | 39197.10 | 39101.36 | 38658.69 | ||
| Dinoseb | 1618187.28 | 1622797.40 | 1723340.81 | 1663177.05 | ||
| Diospyrin | 202101.30 | 200848.80 | 194990.95 | 202266.14 | ||
| Diphenhydramine hydrochloride | 16759.20 | 19415.91 | 17002.96 | 17057.49 | ||
| Dipivefrin | 26473.81 | 21210.80 | 38764.54 | 28898.20 | ||
| Disodium malate | 50601.69 | 46226.75 | 52064.20 | 49241.35 | ||
| Dithranol | 58869.98 | 57152.47 | 89136.60 | 58510.63 | ||
| D-Lactic acid | 1800258.75 | 1797986.16 | 1941044.80 | 1829834.65 | ||
| DL-b-Hydroxycaprylic acid | 65480.00 | 51666.68 | 84928.49 | 50708.98 | ||
| DL-Isocitric acid | 141525.26 | 162689.99 | 144569.97 | 142347.52 | ||
| D-Lombricine | 12577.28 | 28023.40 | - | 14496.90 | ||
| D-Lysopine | 40618.87 | 40969.21 | 40815.22 | 41505.41 | ||
| Dodecylbenzenesulfonic acid | 233274.11 | 225867.69 | 222891.97 | 233910.84 | ||
| Doxepin | 76724.55 | 72919.16 | 66403.78 | 79325.01 | ||
| D-Prephenyllactate | 18727.04 | 22505.88 | 20431.59 | 18132.03 | ||
| D-Quinovose | 71622.19 | 71418.11 | 72768.01 | 71722.06 | ||
| (E)-2-(hydroxymethyl)-3-[3-(hydroxymethyl)-6-propan-2-ylcycl... | 69198.22 | 65388.65 | 63129.58 | 65568.00 | ||
| Efavirenz | 18936.72 | 30612.65 | 44354.05 | - | ||
| Elloramycin A | 17422.83 | 17791.01 | 19702.55 | 23129.05 | ||
| Emetamine | 10000.59 | 20346.63 | - | 19961.48 | ||
| Endothion | 72199.19 | 68723.03 | 73423.82 | 69782.58 | ||
| Estrone 3-sulfate | 2100055.94 | 2003026.89 | 2384061.04 | 2084149.65 | ||
| Ethyl 3-oxohexanoate | 21805.00 | 24925.24 | - | 25396.42 | ||
| ETHYLMALONIC ACID | 159971.64 | 214365.23 | 132050.43 | 137108.43 | ||
| Etomidate | 17531.66 | 50362.20 | - | 25272.93 | ||
| Fenbendazole S-oxide | 11074.50 | 10894.35 | 10279.37 | 10601.10 | ||
| Flavanone 7-O-beta-D-glucoside | 13611.91 | 13389.64 | 13351.51 | 13521.29 | ||
| Flurochloridone | 37535.18 | 37595.51 | 39282.71 | 36892.03 | ||
| Fluroxypyr | 49484.46 | 68555.40 | 39507.29 | 52615.08 | ||
| Flutamide | 18517.66 | 17487.41 | 18035.28 | 19059.35 | ||
| Fluvalinate | 11273.55 | 10177.64 | 10241.86 | 9959.78 | ||
| Formate | 52941.84 | 55385.77 | 55092.50 | 54512.17 | ||
| Frutinone A | 91995.25 | 101327.85 | 84581.57 | 84950.65 | ||
| Fulvine | 11885.82 | 11732.29 | 12178.79 | 11736.84 | ||
| Fumarate | 159264.25 | 196957.59 | 132911.21 | 159181.67 | ||
| gamma-Glutamylmethionine | 28459.66 | 28826.89 | 32030.44 | 26092.55 | ||
| gamma-L-Glutamyl-S-(hercyn-2-yl)-L-cysteine S-oxide | 38667.33 | 36735.05 | 36744.08 | 38456.56 | ||
| Gibberellin A19 | 18149.73 | 17524.13 | 18383.65 | 18388.13 | ||
| Glaucolide B | 4290235.88 | 4786520.94 | 3970129.71 | 4195001.19 | ||
| Glucobrassicin | - | 18695.26 | 19255.63 | 19988.39 | ||
| Glucocochlearin | 29323.53 | - | 27000.30 | 29194.61 | ||
| Glutathione (oxidized) | 723720.50 | 693108.12 | 736775.72 | 788601.36 | ||
| Glycerone | 27382.85 | 26609.67 | 21933.89 | 20633.40 | ||
| Gonyautoxin 8 | 26221.71 | 26492.74 | 27334.19 | 24855.93 | ||
| Grepafloxacin | - | 12758.88 | 15379.64 | - | ||
| Griseofulvin | 14695.20 | 16653.78 | 16179.58 | 14967.77 | ||
| Guanosine | 42356.09 | 40235.24 | 33942.63 | 53730.16 | ||
| Guanosine 5^-monophosphate | 79718.21 | 79826.85 | 80946.49 | 88597.20 | ||
| GW1843 | 11023.08 | 12391.10 | 11409.82 | 13826.25 | ||
| Halomon | 20222.91 | - | 20441.87 | 14646.05 | ||
| Harmalol | 18557.38 | 33936.53 | - | 27417.86 | ||
| Harmine | 23165.64 | 21859.62 | 20887.82 | 22109.38 | ||
| Hedamycin | 29250.89 | 28320.17 | 26107.51 | 28564.86 | ||
| Hesperetin | 14114.11 | 13084.62 | 13909.11 | 14006.19 | ||
| Hexadecanedioic acid | 48955.50 | 56407.87 | 54612.47 | 59527.16 | ||
| Hexanoic acid | 16894.26 | 16353.57 | 15982.99 | 15928.05 | ||
| Hippeastrine | - | 20732.06 | 26287.20 | 24582.05 | ||
| Hippurate | 203014.62 | 425388.97 | 148942.31 | 50544.17 | ||
| Homatropine | 20320.70 | 19841.86 | 20432.20 | 20733.91 | ||
| Homovanillic acid | 129956.16 | 139276.82 | 152258.36 | 111178.58 | ||
| Hycanthone mesylate | 43048.17 | 40410.50 | 33883.37 | 58191.33 | ||
| Hymenoxon | 11577.14 | - | 29646.73 | - | ||
| Hypoxanthine | 609732.54 | 563597.15 | 573470.73 | 662240.75 | ||
| Ichthyotherol | 21607.74 | 21163.63 | 26119.46 | 22461.19 | ||
| IDP | 135786.76 | 128940.48 | 127367.07 | 131342.18 | ||
| Imidazol-5-yl-pyruvate | 28042.69 | 33430.75 | 33716.58 | 36143.44 | ||
| IMP | 15223.22 | 37350.51 | 22987.83 | 26345.36 | ||
| Indole | 13451.01 | 14537.49 | 13153.97 | 13300.08 | ||
| Indoxyl sulfate | 704503.46 | 929442.03 | 623630.80 | 599941.67 | ||
| Inosine | 334912.90 | 161338.70 | 394464.01 | 409868.99 | ||
| Ipolamiide | 133632.79 | 130146.78 | 132854.52 | 129962.33 | ||
| IPSP | 138592.68 | 136097.15 | 136877.13 | 137066.37 | ||
| Isobutrin | 89838.89 | 107359.45 | 78777.82 | 89251.92 | ||
| isoimperatorin | 247746.20 | 192401.10 | 328935.41 | 230954.75 | ||
| Isoprothiolane sulfoxide | 18925.50 | 17320.77 | 25231.77 | 24529.51 | ||
| Isorhynchophylline | 21718.77 | 21413.28 | 21120.94 | 21844.71 | ||
| Isoscoparine | 123205.42 | 119407.28 | 124433.86 | 123066.42 | ||
| Isotan B | 150275.25 | 147457.24 | 142877.10 | 143109.50 | ||
| Ketamine | 28018.14 | 29551.64 | 29697.63 | 29266.32 | ||
| Khellin | 30781.19 | 29334.91 | 31065.69 | 30568.12 | ||
| Kinetin | 15569.53 | 20815.81 | 11691.17 | 18747.21 | ||
| L-2-Aminoadipate | 29041.80 | 37353.68 | 22538.05 | 28477.52 | ||
| L-5-Oxoproline | 1452047.57 | 1401250.96 | 1560455.52 | 1358323.71 | ||
| L791456 | 9838.09 | 10407.92 | 10366.15 | 10721.08 | ||
| Lacinilene C 7-methyl ether | 83904.19 | 77964.99 | 92265.11 | 68812.79 | ||
| Landomycin J | 14325.66 | 15719.62 | 15681.07 | 14737.01 | ||
| L-Arogenate | - | 14140.37 | 10365.92 | 12222.29 | ||
| L-Asparagine | 31966.04 | 44886.52 | 31791.38 | 27694.37 | ||
| L-Aspartate 4-semialdehyde | 81323.46 | 98136.56 | 53958.22 | 90291.11 | ||
| L-beta-Homotyrosine | 1167623.36 | 1160255.07 | 1157995.75 | 1157067.28 | ||
| L-Djenkolic acid | 12128.07 | 11426.27 | 13976.69 | 12680.34 | ||
| Lead | 50568.78 | 57284.11 | 55351.25 | 54793.51 | ||
| L-Fuculose 1-phosphate | 133110.00 | 112094.07 | 161734.51 | 129782.38 | ||
| L-Glutamate | 42986.84 | 46258.79 | 46527.04 | 43748.00 | ||
| L-Glutamine | 91318.49 | 74766.49 | 103539.55 | 89195.62 | ||
| L-Histidine | 21493.44 | 22834.75 | 21337.83 | 21123.77 | ||
| L-Homocystine | 20512.87 | 20567.18 | 21109.58 | 19839.39 | ||
| Lilaline | 29357.20 | 35080.41 | 18420.46 | 31394.16 | ||
| L-Kynurenine | 96127.46 | 87958.40 | 91831.44 | 95110.79 | ||
| LL-2,6-Diaminoheptanedioate | 40949.22 | 40488.03 | 41069.73 | 41019.65 | ||
| L-Lysine | 15757.40 | 16126.59 | 18121.61 | 16850.36 | ||
| L-Methionine | 16525.81 | 19375.57 | 19814.42 | 19852.86 | ||
| Loracarbef monohydrate | - | 15966.04 | 14560.66 | - | ||
| LPC 16:0 | 269169.33 | 191327.57 | 380148.98 | 344173.32 | ||
| LPC 18:1 | - | 64897.11 | 45905.42 | 66432.25 | ||
| LPC 18:2 | 231440.80 | 135743.97 | 368000.99 | 241713.13 | ||
| L-Threonine | 21861.41 | 22472.52 | 19534.34 | 20680.89 | ||
| L-Tryptophanamide | 12125.99 | 14764.41 | 15770.23 | 16024.43 | ||
| L-Valine | 36937.78 | 32511.55 | 43222.01 | 34276.36 | ||
| Lycodine | 75415.20 | 73267.93 | 118182.39 | 97986.04 | ||
| Macarpine | 10387.24 | 9335.90 | 13778.85 | 8972.65 | ||
| Maculine | 155696.18 | 189863.52 | 107108.41 | 135851.37 | ||
| Mafenide | 17304.85 | 17719.71 | 19871.55 | 16135.38 | ||
| Magnesium salicylate | 23144.26 | 22027.79 | 22877.55 | 22746.07 | ||
| Mallotinic acid | 17153.73 | 15724.14 | 16124.45 | 16582.04 | ||
| Mannomustine dihydrochloride | 10878.72 | 12772.27 | 15396.82 | 14821.84 | ||
| (+)-Medicarpin | - | 20721.18 | 21253.04 | 21805.24 | ||
| Melampodin A | 15913.86 | 15690.06 | 14786.82 | 14624.59 | ||
| Melicopicine | 13986.83 | 12112.66 | 22072.49 | 11921.32 | ||
| Melicopine | 124682.64 | 105222.54 | 81649.26 | 185524.52 | ||
| Mepanipyrim | 15358.55 | 19522.90 | 13661.84 | 16909.52 | ||
| Mercaptoacetyl-Phe-Leu | 35138.98 | 27156.12 | 36807.25 | 27035.37 | ||
| Methaqualone | 55305.94 | 54991.88 | 56659.25 | 58167.84 | ||
| Methdilazine | 58601.79 | 58413.44 | 56473.83 | 59909.44 | ||
| Methitural | 95983.17 | 106882.06 | 87769.80 | 93131.46 | ||
| Methoxybrassinin | 17203.08 | 33398.97 | 25169.24 | 23090.97 | ||
| Methylselenocysteine Se-oxide | 129643.27 | 129746.03 | 128949.81 | 127705.62 | ||
| Methylsuccinic acid | 30714.47 | 32189.28 | 26874.89 | 30514.72 | ||
| Metrifonate | 66343.83 | 54756.18 | 69576.49 | 65836.15 | ||
| Metyrapone | 23513.06 | 40100.25 | 46202.86 | 24915.21 | ||
| Microcystin YR | - | 11405.69 | 14550.92 | 12807.77 | ||
| Microhelenin C | - | 9489.49 | 10420.58 | 13669.94 | ||
| Mitobronitol | 40520.83 | 41498.31 | 38809.21 | 40250.84 | ||
| Molybdopterin guanine dinucleotide | 14617.56 | 13250.42 | 16613.96 | 13462.03 | ||
| Monomethyl sulfate | 16740.21 | 34577.43 | 20023.69 | 37355.46 | ||
| Musca-aurin-II | 99929.77 | 102531.09 | 108703.19 | 102735.11 | ||
| Mycophenolic Acid | 28655.80 | 86736.62 | 11583.40 | 20330.38 | ||
| N-(2,3-Dihydroxybenzoyl)-L-serine | 63827.41 | 65005.53 | 68476.58 | 61136.63 | ||
| N-3-Hydroxyoctanoyl-L-homoserine lactone | 39646.25 | 72841.31 | 26289.96 | 29589.98 | ||
| N-(4-Coumaroyl)-L-homoserine lactone | 38600.24 | 37349.00 | 39625.92 | 39431.83 | ||
| N6-(L-1,3-Dicarboxypropyl)-L-lysine | 36472.48 | 39582.29 | 43497.35 | 38506.61 | ||
| N-Acetyl-D-glucosamine 6-phosphate | 40196.74 | 36512.01 | 43135.07 | 37618.00 | ||
| N-Acetyl-D-tryptophan | 13025.47 | 13589.93 | 13748.45 | 16268.95 | ||
| N-Acetyl-L-aspartate | 35375.11 | 38337.82 | 33033.63 | 36923.24 | ||
| N-Acetyl-L-glutamate | 38887.07 | 47082.27 | 43905.41 | 32269.10 | ||
| N-Acetyl-L-phenylalanine | 27767.34 | 27672.51 | 30867.56 | 26335.63 | ||
| N-Acetylmethionine | 29759.85 | 30289.76 | 37283.94 | 26209.64 | ||
| N-Acetylphenylalanine beta-naphthyl ester | 12795.21 | 17297.11 | 11233.77 | 11995.35 | ||
| N-Acetylserotonin | 20100.00 | 36085.64 | 24566.43 | 26149.10 | ||
| Nagilactone C | 166009.81 | 166013.69 | 166299.04 | 166937.49 | ||
| N-Benzoyl-4-hydroxyanthranilate | 46066.49 | 54946.17 | 39310.35 | 47314.35 | ||
| Nebularine | 25812.92 | 23252.91 | 26985.69 | 27401.32 | ||
| Nepodin | 16038.85 | 16486.98 | 15247.18 | 14911.44 | ||
| N-Formylmethionine | 10570.15 | 12278.49 | 10728.91 | 10223.40 | ||
| N-Fructosyl isoleucine | 65831.10 | 58482.86 | 82302.91 | 60247.02 | ||
| Nicotinate D-ribonucleotide | 1232418.38 | 1310167.31 | 1312224.51 | 1116184.11 | ||
| Nidificene | 35117.47 | 36099.59 | 33879.35 | 35275.49 | ||
| Nimustine hydrochloride | 17222.67 | 16140.60 | 16408.87 | 16924.02 | ||
| N-Isobutyrylglycine | 310108.17 | 444421.39 | 203458.49 | 301986.36 | ||
| Nisoldipine | 54923.22 | 48635.41 | 50490.40 | 50334.20 | ||
| N-Isovalerylglycine | 57614.98 | 84893.48 | 46979.96 | 45461.23 | ||
| Nitazoxanide | 161432.44 | 157707.79 | 161685.27 | 161065.10 | ||
| N-Methyltryptamine | 88488.59 | 25586.12 | 27390.76 | 25492.35 | ||
| N-Octanoyl-L-homoserine lactone | 13634.25 | 28013.03 | 17295.05 | 20693.97 | ||
| Nordazepam | 98550.65 | 114980.72 | 92242.18 | 93197.53 | ||
| Norethindrone acetate | 53115.56 | 45473.05 | 49333.19 | 47156.48 | ||
| Norfloxacin | 54419.05 | 51487.06 | 56269.64 | 54951.90 | ||
| Norleucine | 36348.84 | 30275.18 | 37724.95 | 34871.77 | ||
| N-(p-Hydroxyphenethyl)actinidine | 80457.36 | 72949.97 | 78795.23 | 82307.86 | ||
| NS 1619 | 11376.91 | 10611.25 | 12237.82 | 10846.77 | ||
| Oblongolide | 13531.05 | 15080.24 | 14834.61 | 16300.63 | ||
| Odoratol | 27631.12 | 27407.84 | 28781.48 | 28793.44 | ||
| O-Feruloylgalactarate | 19322.98 | 17988.48 | 20499.78 | 19648.78 | ||
| Ononin | 18358.21 | 17642.30 | 18066.51 | 17819.18 | ||
| Orotate | - | 66541.58 | 90250.01 | 83622.52 | ||
| Orthophosphate | 133481.46 | 107577.16 | 143817.61 | 164591.47 | ||
| Ostruthin | 54589.58 | 53660.34 | 54090.92 | 54879.19 | ||
| O-Succinyl-L-homoserine | 13786.19 | 16487.44 | 16639.45 | 13717.58 | ||
| Oxaloacetate | 8695.02 | - | 10001.78 | 10519.26 | ||
| Oxaloglutarate | 22088.48 | 22361.03 | 23381.28 | 22746.20 | ||
| Oxandrolone | 364675.80 | 365982.76 | 370318.91 | 340714.42 | ||
| Oxidized Photinus luciferin | 136545.27 | 130550.28 | 126440.65 | 131972.36 | ||
| Oxydisulfoton | 36245.90 | 56929.50 | 29037.60 | 38084.02 | ||
| Oxyphencyclimine | 23607.75 | 22167.30 | 23792.97 | 23354.77 | ||
| Oxypurinol | 546916.33 | 313411.01 | 671132.54 | 569229.65 | ||
| Oxytetracycline hydrochloride | 16788.81 | 21410.32 | 17878.16 | 13253.67 | ||
| Paeoniflorigenone | 185553.12 | 186313.99 | 191929.64 | 182945.10 | ||
| Pantothenic acid | 142976.36 | 108797.40 | 201280.94 | 122229.15 | ||
| Paramethadione | 24227.75 | 38496.38 | 19934.08 | 23033.92 | ||
| p-Cymene | 56363.78 | 93826.11 | 60386.60 | 67511.82 | ||
| Penicillenic acid | 41983.40 | 37967.14 | 41533.89 | 35945.82 | ||
| Penicillin G | 134865.06 | 126075.33 | 159541.30 | 132177.84 | ||
| Peonidin 3-O-glucoside | 24395.85 | 23837.57 | 24286.11 | 24196.66 | ||
| Pergolide | 22762.68 | 21115.11 | 23814.86 | 21575.04 | ||
| Phaseollidin hydrate | 14811.15 | 14742.37 | 15603.29 | 14655.99 | ||
| PHENATURIC ACID | 145734.65 | 187014.28 | 128334.05 | 131665.64 | ||
| Phenol | 11769.76 | 11164.96 | 11709.87 | 11534.34 | ||
| Phenolphthalin | 8857.12 | 8151.83 | 8639.66 | 8628.01 | ||
| Phenylacetylglutamine | - | 11085.13 | 9323.69 | 10754.42 | ||
| Phenylalanine | 621535.75 | 537049.46 | 673827.14 | 532973.33 | ||
| Phenylbutazone | 11941.27 | 20046.68 | 16848.96 | 8680.74 | ||
| Phenylmercury acetate | 24831.14 | 21491.38 | 25983.96 | 21979.55 | ||
| Phloretin | 110593.16 | 179396.61 | 158452.40 | 122732.37 | ||
| Pimelate | 36439.56 | 35286.19 | 29980.55 | 32473.63 | ||
| Plantamajoside | 66756.68 | 71606.20 | 63329.74 | 68666.93 | ||
| Poncirin | 117275.29 | 118483.58 | 113407.67 | 115103.03 | ||
| Potassium sulfate | 27790.53 | 26202.04 | 26977.83 | 28256.34 | ||
| Premithramycinone | 16360.27 | 14223.38 | 21450.67 | 12764.31 | ||
| Probenazole | 57221.40 | 98775.97 | 61657.31 | 39414.11 | ||
| Prolyl-2-naphthylamide | 35267.15 | 36197.43 | 33841.17 | 40643.88 | ||
| Promazine | 24958.42 | 23988.22 | 24787.74 | 24293.01 | ||
| Propanoate | 19326.02 | 22242.50 | 19704.34 | 22619.98 | ||
| Proparacaine | 65871.83 | 65332.80 | 65106.52 | 64820.55 | ||
| Prostaglandin F2alpha | 11935.78 | 13933.31 | 12330.74 | 14130.70 | ||
| Pseudaminic acid | 28433.16 | 29525.46 | 29192.48 | 30399.19 | ||
| Psilocybin | 125775.98 | 148159.06 | 136366.31 | 92811.66 | ||
| Pyocyanine | 23611.80 | 39656.88 | 24259.49 | 45411.15 | ||
| Pyraclofos | 43235.20 | 51536.57 | 46132.64 | 42640.88 | ||
| Pyrazofurin | 23938.55 | 25797.73 | 24960.85 | 23164.99 | ||
| Pyrazosulfuron | 13794.72 | 13138.19 | 14168.63 | 13484.36 | ||
| Pyrene-4,5-dione | 22921.73 | 27374.95 | 21958.40 | 20151.31 | ||
| Pyridaben | 9923.91 | 11026.53 | 10425.03 | 10057.58 | ||
| Pyrimidine 5^-deoxynucleotide | 11534.15 | 11240.62 | 11737.78 | 11310.51 | ||
| Pyrimidine 5^-nucleotide | 13391.41 | 13085.12 | 12856.10 | 12972.86 | ||
| Pyruvate | 45500.10 | 43230.54 | 53832.59 | 43176.92 | ||
| Quercetin | 18673.25 | 20545.80 | 19252.63 | 17350.66 | ||
| Quercetin 3-O-glucoside | 37221.81 | 35642.67 | 45880.77 | 38946.14 | ||
| Quinolinate | 28219.81 | 31671.13 | 28049.37 | 27940.98 | ||
| (R)-4^-Phosphopantothenoyl-L-cysteine | 13969.18 | 15392.82 | 19429.99 | 13647.19 | ||
| Radon-222 | 24562.50 | 20046.36 | 24037.83 | 24042.77 | ||
| Red chlorophyll catabolite | 12160.89 | 13063.90 | 13530.90 | 14189.32 | ||
| Reduced riboflavin | - | 10291.60 | 12687.37 | 13846.73 | ||
| Repaglinide | 9863.90 | 26445.16 | - | 18014.04 | ||
| Rotenone | 5243275.04 | 5409360.08 | 5425422.59 | 5171236.55 | ||
| Rubidium hydroxide | 48127.27 | 47059.08 | 48591.58 | 47552.24 | ||
| rutamarin | 32323.35 | 29852.53 | 32493.30 | 31968.72 | ||
| S-(1,2-Dichlorovinyl)-L-cysteine | 11091.20 | 11764.11 | 11191.24 | 11017.73 | ||
| S-Adenosyl-L-homocysteine | 80281.28 | 71751.34 | 106533.26 | 70696.15 | ||
| Sakuranin | 42507.78 | 94924.10 | - | 107386.80 | ||
| S-Decyl GSH | 15084.96 | 16779.71 | 22401.97 | 19864.39 | ||
| (S)-Dihydroorotate | 99018.43 | 124455.80 | 82898.29 | 102801.17 | ||
| Sebacic acid | 13809.64 | 17175.61 | 16298.46 | 11773.94 | ||
| Secogalioside | 19486.15 | 12541.49 | 18053.52 | 15425.73 | ||
| Sedoheptulose 7-phosphate | 25777.46 | 26588.73 | 24984.44 | 22098.23 | ||
| Selagine | 74895.75 | 63710.02 | 67470.60 | 69025.61 | ||
| Selenohomocystine | 6935.60 | 8132.27 | - | - | ||
| Se-Methyl-L-selenocysteine | 42376.85 | 39981.13 | 44343.13 | 45829.12 | ||
| Sesartemin | 103724.42 | 113120.34 | 106627.96 | 97240.75 | ||
| S-Glutathionyl-L-cysteine | 29404.19 | 29721.28 | 30924.96 | 30081.42 | ||
| Sinapic acid | 27619.73 | 26563.24 | 27683.41 | 27527.10 | ||
| Sinapine | 40519.32 | 34863.71 | 24046.54 | 33671.12 | ||
| (S)-MALATE | 1413793.78 | 1622189.47 | 1218654.10 | 1405840.46 | ||
| S-Methyl-5-thio-D-ribose 1-phosphate | 26068.33 | 32861.92 | 18188.55 | 18636.13 | ||
| S-Methyl-L-methionine | 168963.05 | 170477.41 | 171489.44 | 170848.50 | ||
| (S)-N-[3-(3,4-Methylenedioxyphenyl)-2-(acetylthio)methyl-1-o... | 15783.09 | 21420.73 | 16053.65 | 13987.97 | ||
| sn-Glycero-3-phosphocholine | 72060.32 | 88151.89 | 63949.32 | 65640.58 | ||
| sn-Glycerol 3-phosphate | 7930.91 | 9678.25 | 11410.21 | 10296.57 | ||
| Sodium chlorate | 50987.49 | 49832.88 | 50382.97 | 50453.19 | ||
| Sodium hexafluorosilicate | 49271.86 | 38586.35 | 51770.10 | 50573.03 | ||
| Sphinganine 1-phosphate | 22964.22 | 24793.16 | 44988.42 | 27714.65 | ||
| Sphingosine-1-phosphate | 82905.74 | 71187.05 | 131099.39 | 113965.13 | ||
| Stanozolol | 7908.29 | 13544.58 | - | 10676.90 | ||
| Staphyloferrin B | 62265.43 | 59236.58 | 60907.40 | 60625.42 | ||
| (Stearoyl)adenylate | 16364.81 | 23312.03 | 23231.59 | 21938.78 | ||
| Streptamine | 29934.54 | 30510.32 | 31267.52 | 30338.49 | ||
| Streptidine | 19075.04 | 19354.05 | 17289.48 | 19394.88 | ||
| Streptonigrin | 82262.94 | 97422.79 | 71260.09 | 81843.12 | ||
| SUBERIC ACID | 135784.10 | 136531.63 | 115988.15 | 126268.57 | ||
| Succinic acid | 5388379.71 | 5367127.82 | 5666784.81 | 5062846.62 | ||
| Sulfamethizole | 12842.94 | 12301.10 | 12228.38 | 13463.43 | ||
| Sulfasalazine | 10562.28 | 11073.55 | 10781.83 | 10020.40 | ||
| Sulindac | 234928.77 | 238833.67 | 213492.04 | 227965.74 | ||
| Sulochrin | 28422.96 | 28970.25 | 29417.33 | 27806.76 | ||
| Suprofen | 5754.05 | 5551.72 | 6938.97 | 8169.08 | ||
| Taurine | 60208.71 | 57878.05 | 62557.93 | 57355.48 | ||
| Taurocholate | 121919.18 | 149743.82 | 64895.90 | 208992.29 | ||
| Taurocholic acid | 79541.71 | 68837.19 | 85474.41 | 175713.20 | ||
| Taurodeoxycholate | 24638.84 | 31761.85 | 36614.76 | 126820.62 | ||
| Tauropine | 31438.17 | 32985.57 | 31135.37 | 30588.30 | ||
| Tegafur | 10055.90 | 10899.67 | 11547.60 | 11446.59 | ||
| Tetrabenazine | 15897.95 | 10484.79 | 25704.86 | 15947.44 | ||
| Tetrahydroharmine | 45685.27 | 44267.61 | 40980.03 | 42684.05 | ||
| Tetraneurin A | 55522.02 | 49815.09 | 83930.45 | 60606.71 | ||
| Thiadiazin | 8882.95 | 9361.91 | 8981.36 | 9209.25 | ||
| Thicyofen | 52752.96 | 52051.02 | 51161.36 | 52124.70 | ||
| Thiometon | 23427.32 | 22264.88 | 23528.79 | 24251.68 | ||
| Thiophanate-methyl | 29087.42 | 30666.88 | 32266.64 | 27004.72 | ||
| Thymidine | 27705.54 | 31406.88 | 25643.93 | 26998.72 | ||
| Tolylfluanid | 10444.17 | 9967.06 | 10502.46 | 10735.23 | ||
| trans-Cinnamoyl beta-D-glucoside | 39657.64 | 43247.69 | 43158.72 | 30246.68 | ||
| Traumatic acid | 40118.88 | 101967.86 | 22688.63 | 37768.78 | ||
| Triadimefon | 25340.25 | 23868.36 | 28812.78 | 23014.46 | ||
| Trichloroethanol | 131453.88 | 132475.49 | 131690.58 | 133486.07 | ||
| Trichodermin | 35287.14 | 38199.82 | 34168.64 | 34967.02 | ||
| Triclosan | 34134.97 | 50464.50 | 33525.33 | 35559.45 | ||
| Trimetaphosphoric acid | 6789.95 | 5515.23 | 7326.16 | 7803.91 | ||
| Trimethoprim | 15419.18 | 34792.52 | 10938.35 | 16606.11 | ||
| Triphenylethylene | 14008.31 | 11364.51 | 19979.25 | 12103.90 | ||
| Tris(2-chloroethyl)phosphate | 12959.96 | 12824.26 | 12849.54 | 12947.70 | ||
| Tropisetron | 14687.13 | 17265.38 | 16757.83 | 16110.96 | ||
| TRYPTOPHAN | 761472.59 | 801085.44 | 759186.08 | 705586.47 | ||
| Tussilagine | 52413.38 | 70774.70 | 35706.28 | 52312.93 | ||
| Tutin | 33742.17 | 37270.22 | 37086.73 | 27707.47 | ||
| UDP-4-dehydro-6-deoxy-D-glucose | 39484.05 | 38267.96 | 44020.15 | 39803.21 | ||
| Uric acid | 1683015.49 | 1769453.00 | 1768415.00 | 1602583.57 | ||
| Uridine | 52479.73 | 56079.27 | 54200.51 | 53725.97 | ||
| Verapamil | 22358.18 | 48832.30 | 12523.05 | 31566.81 | ||
| Verruculotoxin | 45483.42 | 40013.86 | 49574.03 | 40286.87 | ||
| Versiconal | 657109.45 | 477250.59 | 685140.67 | 610751.24 | ||
| Volkenin | 19232.88 | 14847.30 | 25921.77 | 17988.21 | ||
| Xanthosine | 90148.35 | 84084.84 | 95180.31 | 96045.68 | ||
| Xanthosine 5^-phosphate | 19964.25 | 20708.93 | 18904.38 | 21845.08 | ||
| Xylometazoline | 13862.40 | 12558.69 | 10824.81 | 16525.33 | ||
| zinniol | 152352.96 | 152232.47 | 152753.04 | 154710.05 |
Factors:
| F1 | Sample source:QC | Diet:- |
| F2 | Sample source:Serum | Diet:- |
| F3 | Sample source:Serum | Diet:HFD |
| F4 | Sample source:Serum | Diet:LFD |
| F5 | Sample source:Serum | Diet:REV |
