Data for ST003778
| Metabolite structure | All data | F1 | F2 | F3 | F4 | F5 | F6 |
|---|---|---|---|---|---|---|---|
| 1,1^-bis-valienamine | 50240.09 | 11941308.15 | 13611428.90 | 12087462.00 | 8631820.40 | 9903875.25 | |
| 1,1^-bis-valienamine_1 | - | 1463458.46 | 2158177.26 | 2431442.75 | 1854346.77 | 2114289.25 | |
| 1-(2-amino-2-deoxy--D-glucopyranosyl)-myo-inositol | 59778.73 | 12818175.70 | 14686517.30 | 16519673.75 | 15822888.24 | 17306314.60 | |
| 16-bromo-hexadecadien-5,13-diynoic acid | - | 3199082.85 | 3907790.17 | 7823661.12 | 7299303.03 | 8284180.80 | |
| 1-acetylazetidine-2-carboxylate | 234234.48 | 7616817.25 | 6253623.70 | 8022528.25 | 7683787.70 | 8063326.20 | |
| 1-acetylazetidine-2-carboxylate_1 | 231769.78 | 4637688.42 | 4890449.50 | 6422498.12 | 8118665.00 | 8127551.05 | |
| 1-(beta-D-Ribofuranosyl)-1,4-dihydronicotinamide | - | 17205677.80 | 13107123.25 | 14636429.75 | 13819567.60 | 12675346.10 | |
| 1-Methylhistidine | 79541.53 | 10756781.55 | 20306865.10 | 21029933.50 | 17242110.80 | 17943214.10 | |
| (1S,2R)-3-oxo-2-(5^-hydroxy-2^Z-pentenyl)-cyclopentaneacetic... | - | 3355080.35 | 3523199.73 | 4214508.25 | 3982222.05 | 4138424.08 | |
| 21-dimethylarsinoyl-heneicosapentaenoic acid | - | 4382403.80 | 2982809.51 | 3333569.06 | 2616226.94 | 2512802.85 | |
| 2-{[1-(R)-Carboxyethyl]amino}pentanoate | 500434.95 | 15901685.15 | 15723985.20 | 32991919.50 | 48778731.60 | 47569885.80 | |
| (2-{[3-(3,4-dihydroxy-5-methoxyphenyl)prop-2-enoyl]oxy}ethyl... | 79351.60 | 21777716.50 | 15482600.90 | 15153733.25 | 11346477.35 | 11252452.90 | |
| (2-{[3-(3,4-dihydroxy-5-methoxyphenyl)prop-2-enoyl]oxy}ethyl... | - | 10550298.15 | 11059510.62 | 7566376.75 | 4418860.70 | 4449244.24 | |
| 2-{[(3,5-dimethoxyphenyl)(hydroxy)methylidene]amino}acetic a... | - | 56308044.80 | 51254433.20 | 50583213.00 | 63074315.88 | 40273954.38 | |
| 2,3-Dihydroxy-isovalerate | 63512.31 | 2152879.80 | 2278785.80 | 2213675.97 | 1535581.71 | 2462997.38 | |
| 2-(4-pyridyl)ethanesulfonate | - | 2070866.74 | 2842809.62 | 2689675.12 | 3410490.62 | 2747331.24 | |
| 2-(Acetamidomethylene)succinate | - | 17422553.40 | 11199534.30 | 18095116.00 | 17475782.90 | 18827394.80 | |
| 2-Amino-2-methyl-1,3-propandiol | 119389.98 | 2454508.37 | 1533999.40 | 1638220.06 | 1020074.79 | 1507726.00 | |
| 2-Amino-2-methylbutanoate | 689559.30 | 5603081.25 | 4247100.12 | 5468223.50 | 4237218.47 | 6601532.75 | |
| 2-Amino-3-(1-pyrazolyl)propanoic acid | 539312.65 | 40605943.20 | 70259721.20 | 71521214.00 | 78092458.40 | 100502778.80 | |
| 2-Amino-3-(1-pyrazolyl)propanoic acid_1 | 218667.23 | 2816210.24 | 3771007.42 | 3532071.62 | 3809867.25 | 3789044.08 | |
| 2-amino-3-(4-hydroxy-3-methoxyphenyl)-2-methylpropanoic acid | 71040.57 | 27229035.90 | 27582138.40 | 37873082.00 | 35418310.60 | 46078726.60 | |
| 2-Aminoheptanoate | 85606.49 | 199639532.00 | 260313091.20 | 267108900.00 | 384217844.80 | 273134668.10 | |
| 2-Aminoheptanoate_1 | 93762.57 | 17412707.65 | 25174776.80 | 14240858.00 | 6879145.07 | 8641851.58 | |
| 2-Dimethylamino-5,6-dimethylpyrimidin-4-ol | 382949.91 | 1290501.81 | 4853131.74 | 3417760.06 | 3352375.91 | 4845114.85 | |
| (2-hydroxy-1H-indol-3-yl)acetate | 68837.96 | 199175409.60 | 273401913.60 | 287147748.00 | 334341350.40 | 339472784.00 | |
| (2-hydroxy-1H-indol-3-yl)acetate_1 | 61841.82 | 8550829.35 | 8915189.90 | 7465843.00 | 5080213.90 | 5834850.40 | |
| 2-{[hydroxy(4-hydroxy-3,5-dimethoxyphenyl)methylidene]amino}... | 78023.27 | 77880214.40 | 59201064.00 | 105678940.00 | 133678928.00 | 124062362.60 | |
| 2-{[hydroxy(4-hydroxy-3,5-dimethoxyphenyl)methylidene]amino}... | - | 25027439.00 | 21109185.30 | 25219895.50 | 28754409.00 | 23156469.15 | |
| 2-Hydroxyadenine | - | 12132236.60 | 15352482.12 | 29996825.50 | 35150894.60 | 41624798.20 | |
| 2-hydroxy-N-methyl-5-oxoproline | 56204.86 | 10013575.40 | 9890799.35 | 13522239.75 | 13070099.40 | 12944668.20 | |
| 2^-hydroxypyridoxol | - | 56200745.60 | 125592788.80 | 98955110.00 | 69643176.00 | 101070359.20 | |
| 2-hydroxysuccinamate | 30179.88 | 28516843.60 | 36013020.20 | 41607582.00 | 42098365.40 | 48568282.00 | |
| 2-(Methylamino)benzoic acid | 342967.59 | 3623493.29 | 4658916.00 | 3179933.56 | 2375504.21 | 2213183.91 | |
| 2-Oxoarginine | 330335.84 | 2426417.51 | 4085137.02 | 3400409.38 | 3213347.00 | 3633056.92 | |
| 2-oxohexa-4,5-cyclopropyl-5-enoate | 28280.94 | 9022939.90 | 13643347.50 | 8817973.00 | 7095588.05 | 8787595.25 | |
| 2-phenylacetamidine | 27653.88 | 1683240.13 | 1463253.85 | 1823806.03 | 1591765.32 | 1793692.75 | |
| (2R,5R)-5-carboxymethyl proline | 73830.65 | 15946643.40 | 17456931.10 | 24511016.00 | 21520686.20 | 17728533.90 | |
| 3,4-dihydroquinoxaline-2-carboxylate | - | 4676068.67 | 1426769.56 | 3110538.50 | 3407898.80 | 2221723.21 | |
| 3^,5^-Cyclic dGMP | 90678.63 | 5522622.58 | 7819474.40 | 12275909.25 | 13060233.10 | 12981639.78 | |
| 3,6,8-Trimethylallantoin | - | 1487758.36 | 1095942.07 | 1482397.94 | 1572415.56 | 1647960.66 | |
| 3a,7a,12b-Trihydroxy-5b-cholanoic acid | 33278.06 | 117331747.20 | 134481794.80 | 141567182.00 | 146323274.80 | 172016388.00 | |
| 3-amino-2,3-dideoxy-scyllo-inosose | 186655.28 | 5066312.12 | 1835914.40 | 4364791.94 | 5914467.65 | 4997341.62 | |
| 3-Aminopropane-1,2-diol | 93800.21 | 1046554.02 | 2005239.62 | 1825523.41 | 2016088.12 | 2127104.75 | |
| 3-beta-Hydroxy-4-beta-methyl-5-alpha-cholest-7-ene-4-alpha-c... | - | 6500000.40 | 5593123.80 | 5759042.75 | 5288873.92 | 5625779.20 | |
| 3-Hydroxydodecanedioic acid | - | 3111231.16 | 2432912.86 | 2951703.38 | 2544360.12 | 3237204.00 | |
| 3-Hydroxyhexobarbital | 57434.16 | 12297184.28 | 13601007.10 | 10536975.25 | 5939070.17 | 8585275.45 | |
| 3-hydroxypyridine | 234600.25 | 7603384.95 | 6915171.22 | 7546218.50 | 7380523.35 | 7739226.60 | |
| 3-hydroxyquinaldate | 89675.37 | 8973321.30 | 10523993.20 | 13312711.50 | 14447706.55 | 17239663.30 | |
| 3-Hydroxysebacic acid | 108009.62 | 15269966.41 | 7970343.66 | 12655661.25 | 16003205.50 | 13896457.88 | |
| 3-Isopropyl-2-methoxy-5-methylpyrazine | 33198.31 | 1811412.39 | 1549878.15 | 2749732.25 | 3487018.17 | 3337338.81 | |
| 3-Methylguanine | - | 25415980.80 | 25960810.80 | 26663650.00 | 26290031.20 | 26167863.40 | |
| 3-nitro-2-pentanol | 181561.42 | 18265575.70 | 28368783.20 | 21276640.50 | 15911886.00 | 17654072.95 | |
| 3-Oxo-carbofuran | 87509.28 | 9482457.60 | 8627689.57 | 7005504.75 | 4830155.78 | 4214146.53 | |
| 3-Oxooctadecanoic acid | 119704.47 | 78432024.80 | 82568996.80 | 79274918.00 | 74900967.20 | 80748252.00 | |
| 4-(2-Aminophenyl)-2,4-dioxobutanoic acid | - | 559956508.80 | 660853084.80 | 636883040.00 | 633261843.20 | 673915574.40 | |
| 4-(2-aminophenyl)-3-hydroxy-2,4-dioxobutanoate | - | 9045242.00 | 8020685.00 | 7434626.00 | 6147825.50 | 6871212.55 | |
| 4,4-Dimethyl-5a-cholesta-8,24-dien-3-b-ol | - | 3801981.17 | 5132744.83 | 4691387.50 | 5063372.03 | 4624255.12 | |
| 4-amino-3-hydroxybenzoate | 60306.22 | 17357244.00 | 12134936.35 | 20956378.00 | 28495346.60 | 24559399.65 | |
| 4-Amino-4-deoxychorismate | 57682.45 | 7374275.30 | 5318182.88 | 7962335.38 | 10356374.50 | 9093346.18 | |
| 4-amino-4-deoxy-L-arabinose | 60531.44 | 3786575.69 | 2228359.02 | 3955803.19 | 3093835.64 | 3824815.05 | |
| 4-Hydroxyphenylacetaldehyde-oxime | 146565.64 | 4146438.83 | 3455794.67 | 4688039.88 | 5859963.30 | 5127786.17 | |
| 4-Imidazolone-5-propionic acid | 88284.45 | 32524438.60 | 17209131.99 | 50093952.00 | 85443181.20 | 71339081.49 | |
| 4-Methylene-L-glutamine | 56498.39 | 49356979.60 | 41790825.20 | 44683352.00 | 36206536.40 | 39269907.40 | |
| 4-Methylene-L-glutamine_1 | 51002.47 | 2995763.00 | 4605180.00 | 5721245.75 | 7066643.95 | 8502504.95 | |
| 4-methylgentisate | 126031.79 | 11885556.97 | 13780668.10 | 10612298.25 | 6977936.10 | 8886444.60 | |
| 4-(Methylnitrosamino)-1-(1-oxido-3-pyridinyl)-1-butanone | 72194.69 | 20434026.60 | 20025894.40 | 22463204.50 | 25087587.00 | 20071370.80 | |
| 4-Oxoproline | 216010.17 | 10092878.20 | 7460626.05 | 11546782.00 | 13583084.10 | 13410558.15 | |
| 4-propyl-2,3-dihydro-1H-pyrrole-2-carboxylate | 118785.83 | 973775.65 | 1228143.02 | 2003785.38 | 1795795.58 | 2199172.73 | |
| 4-propylidene-2,3-dihydropyrrole-2-carboxylate | 178724.52 | 6330194.50 | 4125295.58 | 5463629.88 | 6069550.35 | 5217419.21 | |
| 4-propylidene-2,3-dihydropyrrole-2-carboxylate_1 | 144599.84 | 4208725.33 | 3327642.25 | 4040459.25 | 4405534.12 | 4558904.10 | |
| 5-(2^-Carboxyethyl)-4,6-dihydroxypicolinate | - | 6962494.75 | 10353659.40 | 9752463.50 | 8004817.80 | 11709021.25 | |
| 5-Acetamidovalerate | 301342.60 | 241830901.80 | 175650515.80 | 165872512.00 | 75445288.40 | 84232614.80 | |
| 5-Aminopentanamide | 48063.05 | 1997096.69 | 2090184.91 | 1852665.97 | 1615882.18 | 1812019.71 | |
| 5-Aminopentanamide_1 | 34881.46 | 604076.94 | 790644.71 | 723281.44 | 560756.22 | 746502.72 | |
| 5-chloro-L-tryptophan | 76948.60 | 23661099.45 | 24557531.70 | 18248299.50 | 18028625.73 | 11339904.71 | |
| 5-Hydroxytryptophol glucuronide | - | 7460793.85 | 7797492.35 | 7569378.38 | 7788025.25 | 8059065.05 | |
| 5-Methoxytryptophan | 47884.20 | 3056952.21 | 5000145.25 | 5167106.00 | 6371399.55 | 6947896.85 | |
| 5-Nitro-2-(3-phenylpropylamino)benzoic acid | - | 2214819.81 | 2145453.21 | 2416293.34 | 2358628.25 | 2044996.36 | |
| 6-aminonicotinate | 974801.74 | 30513034.80 | 16926348.00 | 23833743.50 | 21746554.90 | 25271233.50 | |
| 6-Butyryl-5,7-dihydroxy-8-(3^,3^-dimethylallyl)-4-phenylcoum... | - | 3424568.32 | 6913340.67 | 3919546.56 | 2083913.79 | 2667071.05 | |
| 6-Hydroxydopamine | 301654.52 | 18727300.60 | 13366325.68 | 16251633.50 | 15338107.70 | 15922412.70 | |
| 6-hydroxypicolinate | 111083.08 | 10253671.00 | 5869519.10 | 12729728.50 | 17640949.90 | 14907534.85 | |
| 6-Hydroxypseudooxynicotine | - | 75805472.80 | 93486688.80 | 110997636.00 | 114092290.40 | 131458451.20 | |
| 6-Succinoaminopurine | - | 6456131.65 | 6827488.47 | 6624884.62 | 5872471.15 | 5100199.72 | |
| 7-chloro-L-tryptophan | - | 16852329.80 | 19581519.00 | 16872764.25 | 13032052.90 | 14088020.75 | |
| 7-epi-12-oxojasmonoyl-L-isoleucine | 166822.77 | 6376627.60 | 5603383.80 | 4521636.75 | 2677152.29 | 3460596.70 | |
| 7-methyloct-6-enoate | 69388.06 | 4557379.94 | 3132721.77 | 8185123.00 | 10612563.35 | 12519112.30 | |
| 7-Sulfocholic acid | - | 9857533.95 | 13911742.95 | 10616975.75 | 6027338.47 | 8851283.65 | |
| 8-hydroxy-17-octadecadien-9-ynoic acid | 74588.62 | 7603929.55 | 9371719.05 | 8246329.62 | 6990728.30 | 7547274.20 | |
| 9,10-dehydrofusarate | 91424.27 | 2840287.14 | 2520249.92 | 2647141.69 | 2321244.00 | 2122715.00 | |
| 9,10-DHOME | - | 68755715.20 | 67799428.00 | 60621831.00 | 49459644.40 | 56875048.00 | |
| a 7-deazapurine | 64710.45 | 952957.98 | 2793115.99 | 2148836.41 | 2719940.55 | 3233331.08 | |
| Acetamidopropanal | 902172.78 | 26462608.20 | 33687734.20 | 30177735.50 | 21287825.10 | 29794346.60 | |
| acetyl phosphopantetheine | - | 2351199.89 | 4527998.84 | 4166047.19 | 4655456.25 | 4566564.23 | |
| Ac-Tyr-OEt | 274132.23 | 4995902.05 | 4846218.05 | 4318300.00 | 3560924.85 | 3502958.39 | |
| Adenine | 89910.59 | 13233564.30 | 18412820.10 | 17519251.50 | 19580911.00 | 20951972.90 | |
| Adrenochrome o-semiquinone | 76975.80 | 42045662.40 | 93974627.80 | 84678234.00 | 58749853.60 | 90975975.20 | |
| Adrenochrome o-semiquinone_1 | 89926.92 | 14182434.75 | 11971272.90 | 11722398.25 | 9341056.35 | 8809254.35 | |
| Adrenochrome o-semiquinone_2 | 98201.91 | 73350925.60 | 51897642.20 | 66468838.00 | 63237507.60 | 64457816.40 | |
| Agaritine | - | 3033355.62 | 2939401.59 | 2563363.31 | 2474975.42 | 2550477.86 | |
| Ala/Ala/Ala | 77712.81 | 9650191.60 | 6747176.40 | 11044690.75 | 17351386.15 | 13063515.65 | |
| Ala/Ala/Ala/Ser | 448649.85 | 68082790.00 | 125989461.60 | 84164774.00 | 51488560.80 | 64135668.00 | |
| Ala/Asp/Pro/Pro | - | 6952588.24 | 9164224.32 | 6164902.25 | 2798131.06 | 3520666.43 | |
| Ala/Gln/Pro | - | 47241721.60 | 32306577.80 | 57228358.00 | 76151829.60 | 63610919.60 | |
| Ala/Leu/Ala/Pro | - | 3296111.76 | 2493296.99 | 3526897.25 | 3582782.96 | 4675685.40 | |
| Ala/Leu/Asn/Ser | - | 5864433.76 | 6475041.42 | 4628640.12 | 2168405.60 | 2402279.66 | |
| Ala/Lys/Ala/Asp | - | 2272910.62 | 3808793.40 | 3430311.81 | 2343928.21 | 2507409.48 | |
| Ala/Lys/Asp/Asp | - | 11298833.50 | 7034360.00 | 8205996.62 | 7627886.55 | 4824817.83 | |
| Ala/Lys/Gly/Ser | - | 2757461.00 | 4597586.80 | 3384092.12 | 2575321.85 | 2958908.56 | |
| Ala/Lys/Thr/Gln | 74978.37 | 20200091.00 | 29487282.00 | 27013501.00 | 22078588.40 | 24756352.30 | |
| Alanyl-Arginine | - | 21095336.82 | 12000496.40 | 9873848.25 | 3947031.76 | 9000658.18 | |
| Alanyl-Asparagine | 1449851.16 | 8686112.90 | 7156261.75 | 6716370.38 | 6795091.00 | 5238447.88 | |
| Alanyl-D-alanine | 145415.38 | 16943254.50 | 49940410.80 | 41355037.00 | 32644352.40 | 53559020.40 | |
| Ala/Phe/Ala/Ala | - | 3741314.17 | 3638875.55 | 3158765.50 | 3342848.90 | 3073485.35 | |
| Ala/Phe/Ala/Gly | - | 44178534.60 | 47417742.40 | 35359959.00 | 24827263.60 | 29172812.40 | |
| Ala/Phe/Val/Gly | - | 2098032.84 | 2696269.96 | 3850258.56 | 3373543.30 | 3351321.98 | |
| Ala/Pro/Ser | 152803.60 | 5520093.97 | 6520075.40 | 6501491.88 | 7268849.92 | 7983998.33 | |
| Ala/Thr/Gln/His | - | 4870481.70 | 4812108.53 | 5407414.75 | 5219363.03 | 4443313.92 | |
| Ala/Val/Gly/Pro | - | 3641711.85 | 4237048.38 | 3848372.94 | 3123453.65 | 3499358.08 | |
| Ala/Val/Pro/Pro | 144086.43 | 10642564.55 | 15540656.20 | 20726651.00 | 22468767.80 | 23829323.60 | |
| Allopurinol | 110549.79 | 52977064.00 | 64192520.80 | 88379528.00 | 98299826.00 | 108627664.80 | |
| Aminoadipic acid | 277585.28 | 22629422.15 | 15027116.40 | 17786060.00 | 14292067.35 | 16556529.20 | |
| Arg/Gly/Gly/Tyr | - | 5099815.97 | 8320533.20 | 8566539.38 | 2724466.44 | 2870964.20 | |
| Arginine | 298453.30 | 382253969.60 | 262690373.60 | 327703928.00 | 204879910.40 | 288610490.40 | |
| Ascorbalamic acid | - | 1874365.84 | 2499387.44 | 3994387.19 | 3155357.77 | 3219520.60 | |
| Asn/Gly/Gly/Pro | 42539.64 | 2786905.50 | 2897455.01 | 3013755.88 | 3255161.08 | 2601207.69 | |
| Asn/Lys/Pro/Ser | - | 2385800.09 | 2599035.66 | 2706492.06 | 2506294.02 | 2350814.74 | |
| Asparaginyl-Hydroxyproline | - | 6337724.85 | 7858825.05 | 7716700.38 | 7530062.35 | 7303626.50 | |
| Asparaginyl-Hydroxyproline_1 | - | 7002225.00 | 11302863.80 | 8360551.00 | 7284104.20 | 8966357.95 | |
| Asparaginyl-Proline | 96525.10 | 69221614.40 | 72304540.00 | 90613640.00 | 103956391.20 | 107696225.60 | |
| ATPA | 90199.41 | 48953408.20 | 35862961.40 | 68723625.00 | 119268887.60 | 76479433.80 | |
| benzenamine sulfate | - | 31455131.40 | 40772420.20 | 41877283.00 | 41893514.40 | 46266432.40 | |
| Betaine | 956201.73 | 164704468.00 | 204617446.40 | 176128464.00 | 165473666.80 | 202385850.00 | |
| Bicozamycin | - | 10949461.55 | 3098206.81 | 16689918.75 | 19667847.00 | 15779477.21 | |
| Bicozamycin_1 | - | 7050353.58 | 6605967.30 | 10101499.75 | 10357174.85 | 8878776.38 | |
| Butalbital | - | 51488503.00 | 28312187.20 | 44094222.00 | 52446359.40 | 41233372.20 | |
| Butalbital_1 | 189006.66 | 7603219.30 | 6775541.70 | 7216328.75 | 8733728.75 | 7064433.78 | |
| Butalbital_2 | 77797.34 | 5010394.58 | 5455573.10 | 5169116.88 | 4648729.62 | 4897378.38 | |
| Butalbital_3 | 35640.36 | 13527752.10 | 10448948.75 | 11526595.25 | 10800164.40 | 10152516.68 | |
| C17 Sphinganine | 164573.54 | 4503745.22 | 7153158.12 | 7178245.12 | 7304792.58 | 6919846.78 | |
| Carbetamide | 134597.83 | 4353580.33 | 4785041.55 | 5358179.00 | 3801819.17 | 5763263.62 | |
| Carnitine | 145916.71 | 43274066.40 | 31368497.35 | 79590462.00 | 126317976.80 | 123915910.70 | |
| Carnosine | - | 1126833.23 | 2440626.59 | 1761519.28 | 1485682.12 | 1579372.02 | |
| Cathinone | 57518.90 | 5281367.28 | 3451080.95 | 5352993.88 | 4501693.25 | 6351727.11 | |
| CCCP | - | 5122139.55 | 4948216.38 | 4938786.12 | 4602164.78 | 5843912.60 | |
| Cholesteryl acetate | - | 9751878.20 | 10330123.10 | 10297166.00 | 10446120.80 | 11014039.90 | |
| commendamide | 102560.49 | 11733647.45 | 13964088.35 | 10189693.25 | 6978217.08 | 7952466.00 | |
| Creatinine | 209175.85 | 6127886.05 | 8325662.10 | 8045808.62 | 7579862.80 | 8586465.30 | |
| cyclo(L-glutamyl-glycyl) | - | 4972770.33 | 1954553.86 | 7423846.50 | 11933023.00 | 9564902.12 | |
| cyclo(L-glutamyl-glycyl)_1 | - | 4398076.20 | 3542906.69 | 4330927.25 | 3910685.50 | 3346774.05 | |
| cyclo(L-glutamyl-glycyl)_2 | 1479783.25 | 5815120.60 | 8311552.85 | 6748153.75 | 6438174.05 | 6324946.40 | |
| cyclo-(L-seryl-L-tyrosyl) | - | 4017156.79 | 6110237.47 | 6484577.00 | 7708116.55 | 7774463.45 | |
| cyclopiazonate | - | 2903754.45 | 2331998.15 | 2676812.19 | 2618872.30 | 2177737.49 | |
| Cytidine | - | 10178343.55 | 11047146.80 | 18117596.50 | 19343524.60 | 22526452.30 | |
| dCMP | - | 2528193.06 | 2949179.61 | 4946152.75 | 6681202.17 | 6908449.91 | |
| Decenoyl-ACP | 226187.92 | 6021676.70 | 7715546.10 | 7514566.38 | 7332590.60 | 8672009.75 | |
| Deidaclin | 79593.35 | 144776830.70 | 151992245.60 | 137829492.00 | 66050311.40 | 94956327.20 | |
| Deoxycytidine | - | 20993477.50 | 22622775.05 | 44848052.00 | 55580043.40 | 61611786.40 | |
| Deoxycytidine_1 | - | 4490167.50 | 5658628.60 | 4338409.56 | 3194372.83 | 4367341.85 | |
| Deoxyguanidinoproclavaminic acid | - | 42761745.40 | 142213852.40 | 68896710.00 | 47895388.00 | 58361128.00 | |
| Deoxyinosine | - | 4467847.97 | 5587155.50 | 5085333.50 | 4811846.65 | 5771957.08 | |
| Diacetylfusarochromanone | - | 5371268.10 | 4277470.47 | 5133857.75 | 5650236.12 | 4733620.75 | |
| Diacetylfusarochromanone_1 | - | 3861475.20 | 2950116.34 | 3381225.31 | 3587370.05 | 2472409.49 | |
| Diaminopimelic acid | - | 2919114.59 | 2365370.80 | 2784949.25 | 2258786.17 | 2847194.34 | |
| Dictyoquinazol A | - | 4521589.45 | 5516952.58 | 4669050.75 | 4190678.92 | 3567361.48 | |
| Diethanolamine | 1110444.24 | 2007004.62 | 2463382.54 | 1931789.97 | 1946668.51 | 2243462.94 | |
| Dihydrothymine | 112748.29 | 7605378.75 | 5112587.95 | 12008869.25 | 13332137.45 | 18910003.45 | |
| DL-2-Aminooctanoic acid | 85716.47 | 1142020844.80 | 1569900160.00 | 1067310208.00 | 1026036648.65 | 647708714.10 | |
| Flazine | - | 2132311.05 | 1874504.90 | 2548484.00 | 1828571.01 | 1602462.71 | |
| Flazine_1 | - | 14680423.30 | 15381488.10 | 16939769.25 | 20995257.40 | 16853967.90 | |
| fusarinolate | 86430.22 | 15086223.88 | 10191600.60 | 9263107.25 | 4775256.03 | 5013869.12 | |
| fusarinolate_1 | 93730.36 | 13652872.45 | 10410184.80 | 9911099.75 | 7015245.20 | 7415844.17 | |
| gamma-Glutamylisoleucine | - | 1844120.82 | 2205014.15 | 3597190.19 | 2113107.76 | 1784712.31 | |
| gamma-L-Glutamyl-L-pipecolic acid | - | 25310383.30 | 21204754.70 | 26952610.00 | 21835929.30 | 24182752.00 | |
| gamma-L-Glutamyl-L-pipecolic acid_1 | 38740.36 | 14620416.07 | 19501418.50 | 12924603.75 | 6493538.20 | 8542218.80 | |
| glorin | 49844.42 | 57833924.40 | 63447903.20 | 75813434.00 | 76960677.20 | 72931438.00 | |
| Glu/Ala/Phe | - | 12639868.80 | 8639823.15 | 13287673.25 | 14499840.10 | 12957251.40 | |
| Glu/Ala/Pro | - | 7208055.85 | 8315288.60 | 9260429.00 | 9923708.00 | 9664812.50 | |
| Glu/Asp/Ile | - | 6861765.28 | 11763190.90 | 6782382.88 | 2654465.06 | 4467561.87 | |
| Glu/Pro/Pro | - | 26418079.10 | 19160613.40 | 23008120.00 | 16660726.90 | 16115184.15 | |
| Glu/Pro/Val | 65867.09 | 16029963.20 | 34022934.80 | 24394752.50 | 16848284.00 | 21021030.40 | |
| Glutaconylcarnitine | - | 20873172.70 | 30245817.00 | 25268662.00 | 17883096.00 | 21161679.20 | |
| Glutamic acid | 111842.86 | 153609211.20 | 257832060.80 | 325638408.00 | 347924667.20 | 430201462.40 | |
| Glutamine | 93177.34 | 96638915.60 | 137696115.20 | 132247286.00 | 120999304.00 | 162047008.80 | |
| glutamyl-L-alaninol | - | 2753429.27 | 7565982.40 | 7256806.25 | 7401927.70 | 8050184.75 | |
| Glycerophosphoglycerol | - | 980197.69 | 924717.78 | 1984384.12 | 2221088.52 | 2139162.96 | |
| guadinomic acid | - | 7479605.58 | 6670949.92 | 7800499.25 | 3756999.45 | 5251205.45 | |
| guadinomic acid_1 | - | 2235741.83 | 2478395.61 | 2422156.88 | 1936671.13 | 2098632.96 | |
| guanidinocaproate | 89957.86 | 6626786.72 | 6789630.97 | 5786658.25 | 4105379.15 | 6175022.00 | |
| Guanosine | - | 2396852.81 | 3011932.61 | 5674646.88 | 5162317.83 | 6303398.22 | |
| Guanosine 2^,3^-cyclic phosphate | - | 2193771.92 | 4904782.65 | 4374081.19 | 4918163.57 | 2183556.40 | |
| His/Ile/Pro/Ser/Trp | - | 8435405.70 | 22146206.30 | 14105435.50 | 15351725.60 | 19447521.40 | |
| His/Ile/Pro/Ser/Trp_1 | - | 2504182.19 | 7530500.45 | 5119314.50 | 4786170.50 | 6568502.58 | |
| Histidinal | 443097.09 | 4384425.81 | 4353470.50 | 7802282.50 | 12176380.95 | 10293151.65 | |
| His/Val/Val/Gly | - | 3375730.95 | 2381033.35 | 4192338.88 | 5143622.90 | 4417614.76 | |
| Homoanserine | 207187.30 | 2789615.26 | 3177894.95 | 4731852.12 | 6560317.60 | 6779069.95 | |
| Hydroxyl frovatriptan | - | 3314641.55 | 2689624.40 | 2598926.56 | 2106738.85 | 2319688.99 | |
| Hypoglycin B | 67829.15 | 20476349.70 | 33331063.80 | 24202525.50 | 19762622.70 | 19088219.90 | |
| Hypoxanthine | 108278.95 | 44348011.20 | 65050318.20 | 93411772.00 | 103778137.20 | 139782484.00 | |
| Ile/Ala/His | - | 2986939.75 | 6326575.15 | 5441127.38 | 6375395.43 | 7429894.35 | |
| Ile/Ala/Thr | - | 4833628.38 | 6506718.20 | 4360331.25 | 2739294.51 | 4036251.44 | |
| Ile/Gly/Pro/Pro | - | 7972210.10 | 10954264.20 | 9889438.50 | 8335071.65 | 10411998.75 | |
| Ile/Gly/Ser | - | 48750021.60 | 40213221.00 | 35037870.00 | 27745351.60 | 21722586.05 | |
| Ile/Leu/Val/Ser | - | 8751670.25 | 9904800.40 | 10277937.00 | 10041623.45 | 10328301.85 | |
| Ile/Lys/Pro | - | 1442988.74 | 2299749.87 | 1876671.81 | 2134886.30 | 1981758.65 | |
| Ile/Lys/Ser | - | 1541344.94 | 2710061.06 | 2804798.12 | 2073598.88 | 2616828.16 | |
| Imidazoleacetic acid | 85061.15 | 3851680.94 | 3336904.56 | 4687408.88 | 4581997.11 | 6000844.95 | |
| Indican | - | 7189330.75 | 7387941.95 | 6876707.62 | 7067496.40 | 6650272.03 | |
| Indoxyl | - | 1933684.52 | 2247407.71 | 2239135.34 | 2337500.79 | 2215969.66 | |
| Inosine | - | 39068299.60 | 45875428.60 | 64107129.00 | 70358166.00 | 78605352.00 | |
| isodomoic acid A | - | 14453222.55 | 12425190.93 | 9179237.25 | 5068536.53 | 4408076.95 | |
| Isoleucine | 265949.81 | 54654069.20 | 106079340.00 | 78451948.00 | 53246792.40 | 89294087.60 | |
| Isoleucyl-Alanine | 67849.56 | 12972394.62 | 17424455.30 | 11565270.75 | 8744149.90 | 10148745.45 | |
| Isoleucyl-Lysine | - | 8054193.91 | 3738827.92 | 5493078.38 | 1845773.84 | 3316184.10 | |
| Isoleucylproline | 91972.93 | 4285493.22 | 4634507.00 | 71922508.00 | 63647062.67 | 160828468.03 | |
| Isoleucyl-Threonine | - | 8752810.65 | 14364581.30 | 13578247.25 | 13201483.90 | 16691854.80 | |
| Isoleucyl-Tyrosine | 39385.66 | 4535099.33 | 5238932.28 | 5165605.88 | 5306251.78 | 6199737.75 | |
| Leucine | 291471.18 | 133777232.00 | 279092339.20 | 222542792.00 | 187520572.80 | 254662280.00 | |
| Leucyl-Lysine | 57495.08 | 2206309.15 | 1908355.29 | 2206134.19 | 2151999.62 | 2456233.19 | |
| Leucyl-Threonine | - | 3034620.81 | 3786547.42 | 4448924.75 | 2118053.19 | 3356734.29 | |
| Lophophorine | 85147.07 | 3389466.23 | 2782902.60 | 2813416.56 | 2752015.56 | 2835130.10 | |
| Lys/Ala/Gly | 120468.68 | 1664851.08 | 3210178.05 | 2909090.25 | 2515691.36 | 2964274.70 | |
| LysoPC(14:0/0:0) | - | 9938688.57 | 12366843.20 | 7497324.00 | 3820862.60 | 4270113.60 | |
| Lysopine | - | 21055142.57 | 31976458.40 | 39403029.00 | 14420168.40 | 24788921.10 | |
| Lys/Pro/Pro | 86021.48 | 3775110.00 | 5754406.92 | 4965952.50 | 4281475.67 | 4930059.95 | |
| Lysyl-Glycine | - | 2520368.63 | 1520525.92 | 2961338.56 | 925735.83 | 1336876.74 | |
| Lysyl-Phenylalanine | 48936.94 | 8065533.60 | 9720346.50 | 9779073.75 | 9972957.30 | 9579288.75 | |
| Lysyl-Proline | 49888.17 | 1611801.06 | 2005450.81 | 1883766.75 | 1466918.29 | 2357855.62 | |
| Lysyl-Valine | 75700.92 | 99931178.65 | 87119487.00 | 74848046.00 | 60392451.40 | 75439879.10 | |
| Lysyl-Valine_1 | 48212.35 | 49393338.80 | 37233330.60 | 50720893.00 | 42385104.40 | 48927583.60 | |
| Metharbital | 90837.30 | 8430720.00 | 8561105.62 | 7497255.88 | 6515787.90 | 5366654.50 | |
| Metharbital_1 | 30302.75 | 1095000.30 | 1459304.44 | 1454054.38 | 1664076.24 | 1269387.67 | |
| Methionine | - | 62018792.80 | 81098228.40 | 88556810.00 | 67563445.60 | 110876484.00 | |
| Methionine sulfoxide | - | 11644460.75 | 12647000.50 | 16628200.50 | 9541804.95 | 13838461.90 | |
| Methocarbamol | 66764.35 | 20989211.60 | 16857448.70 | 17267973.75 | 15887240.60 | 13518521.05 | |
| Methylimidazoleacetic acid | - | 16017706.60 | 12480135.65 | 15405438.00 | 13609066.00 | 14415941.80 | |
| Miglustat | - | 5137799.42 | 4312049.15 | 4120144.31 | 3561748.02 | 3700944.85 | |
| minimycin | - | 1581346.36 | 1937700.21 | 2142535.09 | 1878092.66 | 2112927.67 | |
| Murrayanine | - | 5027819.00 | 7523332.25 | 8913054.25 | 10992121.07 | 11516794.57 | |
| N1-citryl-N3-oct-2-enoyl-N3-hydroxy-1,3-diaminopropane | - | 3654403.00 | 3221399.58 | 2803668.00 | 2063373.35 | 2000709.02 | |
| N2-(2-Carboxyethyl)arginine | 488047.72 | 16159515.75 | 25611727.20 | 36626391.00 | 22186153.80 | 25304752.90 | |
| N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(3-hydroxy-4-methoxypheny... | - | 37896283.80 | 47694008.40 | 36860907.00 | 23822605.60 | 26929553.40 | |
| N-(2,3-Dihydroxybenzoyl)-L-serine | - | 54295980.00 | 52514207.60 | 59002051.00 | 49964768.00 | 53228210.00 | |
| N2-Fructopyranosylarginine | 54171.36 | 21496028.50 | 38517207.70 | 37466993.00 | 36596550.00 | 33320942.50 | |
| N2-Fructopyranosylarginine_1 | - | 2000333.34 | 1536717.38 | 3170698.94 | 3493125.64 | 4216955.97 | |
| N2-gamma-Glutamylglutamine | - | 25089781.50 | 42792984.60 | 27617359.50 | 21347974.90 | 25426082.20 | |
| N-(3-hydroxy-3-methylhexanoyl)-L-glutamine | - | 8400651.00 | 7192801.25 | 9482113.75 | 8654556.85 | 8228790.95 | |
| N-[-3-methylhex-2-enoyl]-L-glutamine | 142163.20 | 4394124.81 | 3812513.48 | 4335067.31 | 3088037.19 | 3289081.29 | |
| N-[-3-methylhex-2-enoyl]-L-glutamine_1 | 126793.79 | 25055572.20 | 18235265.00 | 24945112.50 | 25729493.80 | 23004146.00 | |
| N-(4,5-Dihydro-1-methyl-4-oxo-1H-imidazol-2-yl)alanine | 57994.87 | 12709355.00 | 23904011.20 | 17246530.25 | 15106137.60 | 17251431.00 | |
| N4-Acetylaminobutanal | 254232.18 | 50460601.40 | 53657898.00 | 50475742.00 | 52200425.60 | 45562596.60 | |
| N-4-coumaroyl-L-homoserine lactone | - | 9805882.85 | 9789207.70 | 8914450.25 | 7669749.65 | 7682348.30 | |
| N-(4-nitrophenyl)validamine | - | 17028888.00 | 12031357.50 | 12735944.50 | 8120858.30 | 8629470.80 | |
| N6-Hydroxy-L-lysine | 74216.46 | 615785.98 | 2227355.44 | 2051447.91 | 1892247.95 | 2800320.93 | |
| N(6)-Methyllysine | - | 13189101.70 | 18923100.70 | 18281337.00 | 14434288.80 | 21179182.40 | |
| N6,N6,N6-Trimethyl-L-lysine | 99547.63 | 17571410.00 | 19690075.70 | 70912316.00 | 90113400.00 | 127548530.40 | |
| N-a-Acetylcitrulline | 213427.73 | 33043047.10 | 23237518.60 | 23687254.50 | 18088036.40 | 15988847.50 | |
| N-a-Acetyl-L-arginine | - | 13676244.70 | 11834721.25 | 13005306.00 | 11613151.65 | 17416251.75 | |
| N-Acetylcadaverine | 67607.93 | 46495354.00 | 56841912.00 | 50094706.00 | 39723616.70 | 64057911.00 | |
| N-Acetylhistamine | 81619.03 | 4664440.15 | 3953549.77 | 5445168.62 | 5608886.55 | 6110672.88 | |
| N-acetyl-L-glutaminyl-L-glutamine amide | - | 2447791.84 | 3012539.31 | 2755009.62 | 2420388.60 | 2548676.19 | |
| N-Acetylputrescine | 122402.13 | 85955016.40 | 95574676.00 | 89176066.00 | 72458082.80 | 87735958.00 | |
| N(alpha)-gamma-L-Glutamylhistamine | - | 7274201.75 | 11926877.40 | 13097711.75 | 14167425.20 | 15828346.20 | |
| N(alpha)-gamma-L-Glutamylhistamine_1 | - | 4549378.15 | 4428351.78 | 6194034.25 | 5086507.05 | 4714648.88 | |
| Nalpha-Methylhistidine | 166109.61 | 2793187.60 | 3246504.10 | 3155000.56 | 3348058.95 | 3505485.52 | |
| N-Arachidonoyl glycine | - | 3020722.46 | 4869554.67 | 3955520.19 | 4345811.25 | 3988641.42 | |
| N-Benzoylaspartic acid | - | 31672781.00 | 15369813.75 | 25281476.00 | 27820775.80 | 23800495.75 | |
| N-Benzoylaspartic acid_1 | - | 7502894.08 | 7525378.55 | 6309873.75 | 4312276.58 | 4752638.35 | |
| N-Butyryl-L-homoserine lactone | 171661.67 | 16691998.00 | 13614370.95 | 17336108.50 | 20316118.50 | 18462724.90 | |
| N-carbamoyl-p-hydroxy-D-phenylglycine | - | 5705364.40 | 5449472.45 | 7034766.00 | 7109272.55 | 6809017.30 | |
| N-D-Glucosylarylamine | - | 21790012.45 | 21224016.50 | 22181926.50 | 16305714.25 | 20628133.80 | |
| Ne,Ne dimethyllysine | 229807.11 | 9657294.55 | 13272213.30 | 14353568.00 | 14971857.10 | 15395635.60 | |
| N-Formimino-L-glutamate | - | 10038846.50 | 18575978.70 | 21031504.00 | 23207505.15 | 28730291.65 | |
| N-hydroxy-L-leucine | 435316.17 | 5195407.83 | 3754927.70 | 7545200.62 | 10754363.00 | 10134945.95 | |
| N-hydroxy-L-leucine_1 | 487213.44 | 5287420.97 | 6034480.53 | 4868655.38 | 3581959.67 | 4163078.08 | |
| N-hydroxy-L-pipecolate | 1433067.65 | 37678354.20 | 103875677.50 | 78537004.00 | 77733993.20 | 63086678.10 | |
| N-hydroxy-L-pipecolate_1 | 1049236.36 | 14433626.80 | 13574097.70 | 15680158.50 | 16060904.80 | 16715327.60 | |
| N-hydroxy-N-succinylcadaverine | - | 8201562.40 | 14305124.20 | 12564410.75 | 6786672.88 | 15791755.62 | |
| N-hydroxy-N-succinyl-putrescine | 45358.98 | 2577859.74 | 4179364.70 | 3538785.00 | 1649807.11 | 4280588.79 | |
| N-hydroxyvaline | 139031.53 | 7768359.28 | 8250242.75 | 10945405.00 | 18111527.23 | 11560747.55 | |
| Niazirin | 103814.60 | 85751756.40 | 63000977.60 | 58149181.00 | 43851490.00 | 39921373.00 | |
| Niazirin_1 | 113965.13 | 7789619.55 | 6233856.45 | 8570236.75 | 10561593.75 | 9416429.85 | |
| Niazirin_2 | 146196.14 | 16372907.60 | 13522918.00 | 13794163.50 | 14811333.55 | 13731148.30 | |
| Nicotine glucuronide | - | 4839526.08 | 6391260.95 | 6346002.38 | 7440402.40 | 6531334.00 | |
| Nicotine glucuronide_1 | - | 2617761.89 | 4703131.05 | 3176877.25 | 2318418.76 | 2980808.33 | |
| Nicotinic acid | 791504.02 | 35115128.20 | 143619373.70 | 137412398.00 | 145478518.40 | 237987464.80 | |
| N-lactoyl-Tryptophan | 93123.47 | 4086821.15 | 3248872.90 | 3677016.19 | 3738370.23 | 3097512.04 | |
| N-Malonyltryptophan | - | 2674392.92 | 3426558.62 | 3811220.38 | 4596169.47 | 3978243.08 | |
| N-methyl-L-glutamic Acid | 196057.21 | 26867852.80 | 26259763.40 | 29579887.50 | 30150483.20 | 28143885.60 | |
| N-Methyltryptamine | - | 4622236.78 | 4594326.75 | 3424065.69 | 1820789.96 | 2116539.00 | |
| N,N-diacetyl-L-lysyl-D-alanyl-D-lactate | - | 3697068.17 | 6234193.00 | 4733634.50 | 3375823.23 | 4188252.35 | |
| Noradrenochrome o-semiquinone | 98901.02 | 4700174.75 | 4387685.35 | 4718852.50 | 4322955.47 | 5360037.88 | |
| Norophthalmic acid | - | 25720460.40 | 22721206.90 | 25857918.00 | 22728645.10 | 16747151.25 | |
| Norsanguinine | 130012.21 | 10527685.93 | 6036051.66 | 7306463.50 | 5292610.33 | 5290777.54 | |
| norspermidine-2,3-dihydroxybenzoate | - | 5926525.65 | 5181664.85 | 6677999.75 | 5465555.00 | 4886363.62 | |
| Norvaline | 799136.22 | 57315434.40 | 118578295.60 | 94461030.00 | 50523374.00 | 90388207.60 | |
| N-succinyl-L-citrulline | - | 35821617.20 | 43794613.00 | 42196255.00 | 28504647.40 | 30356181.00 | |
| octadecenoic acid | 1640286.35 | 1085120396.80 | 1382442899.20 | 1207399328.00 | 1209723379.20 | 1097318886.40 | |
| Ornithine | 124789.40 | 5857637.80 | 8761341.50 | 7888282.12 | 6188324.50 | 7471447.15 | |
| Osmundalin | 85335.97 | 14883956.15 | 12057690.30 | 10038200.25 | 6503345.30 | 6227350.60 | |
| Palmitoleic acid | 187400.80 | 86623536.00 | 104998904.80 | 88424382.00 | 87978293.60 | 89797487.20 | |
| Palmitoylglycine | 104507.96 | 10400863.25 | 16639745.50 | 11373404.25 | 8804430.40 | 9439124.90 | |
| Pantothenic acid | 84904.25 | 9902549.40 | 16539102.95 | 22118144.00 | 25024405.50 | 32921419.60 | |
| Pantothenic acid_1 | 73812.34 | 13602982.90 | 15281004.20 | 13170125.00 | 9277200.50 | 10950463.45 | |
| Perindoprilat | - | 8467531.10 | 9415747.05 | 9372225.12 | 7000694.15 | 8419026.75 | |
| Perindoprilat_1 | - | 16586390.55 | 16901407.70 | 12571359.25 | 7493994.80 | 8779872.05 | |
| Phe/Ala/Gln | 37180.12 | 17887557.90 | 19573030.40 | 16170058.75 | 11208525.95 | 12660743.20 | |
| Phenethylamine glucuronide | - | 9260991.95 | 11602159.10 | 11304996.00 | 7103319.25 | 8187865.75 | |
| Phenylalanine | - | 142026948.00 | 301914359.20 | 252978824.00 | 192023899.20 | 305879476.80 | |
| Phenylalanyl-Threonine | 66673.06 | 45350692.00 | 23294453.50 | 45431398.00 | 56298600.80 | 57487001.40 | |
| Phenylalanyl-Threonine_1 | - | 1697235.43 | 1327689.98 | 1582711.06 | 1659696.69 | 1750238.15 | |
| Phenylglucuronide | 24927.12 | 231282539.60 | 254228337.60 | 184413252.00 | 133429960.00 | 153387398.00 | |
| Phe/Val/Asp | - | 4177437.88 | 5316554.45 | 5262397.50 | 4397251.05 | 4931571.45 | |
| Phe/Val/Gly | 78564.80 | 4686053.72 | 4112641.27 | 4463398.25 | 4844908.55 | 4144782.00 | |
| Phe/Val/Gly_1 | - | 4564080.65 | 2614924.42 | 3184221.94 | 2916831.55 | 2669382.99 | |
| Phytosphingosine | 70363.28 | 6565029.35 | 13089941.15 | 9836086.00 | 10803936.90 | 10813662.95 | |
| Picolinamide | 10599083.09 | 36575072.60 | 76754027.80 | 105675406.00 | 131905547.20 | 132378065.60 | |
| Pipecolic acid | 238281.79 | 51867867.30 | 58417562.00 | 62711107.00 | 51780571.60 | 65674226.40 | |
| piperidine-3-carboxylate | 199786.01 | 41252747.40 | 29735489.80 | 40204913.00 | 31032615.60 | 41029157.00 | |
| Pirbuterol | 251792.88 | 1649256.14 | 1277776.30 | 8603172.12 | 6915193.45 | 20014187.00 | |
| prenyl phosphate | 301416.01 | 5650617.08 | 25453882.95 | 16531221.75 | 15008505.40 | 19137485.77 | |
| Proline betaine | 147831.83 | 6583679.70 | 10731128.40 | 12161739.00 | 15992904.50 | 19157067.20 | |
| Proline betaine_1 | 94459.48 | 6291440.40 | 6570829.15 | 6180154.25 | 5840007.80 | 7119924.45 | |
| Prolylhydroxyproline | 51230.70 | 25573284.80 | 36821019.10 | 24772788.00 | 12869447.15 | 17686029.48 | |
| prolyl-L-proline | 75200.42 | 159073589.60 | 163466142.40 | 146602016.00 | 117662615.20 | 112991205.20 | |
| Propionylcarnitine | 62504.85 | 976837.43 | 1249443.67 | 2815865.06 | 4046203.40 | 2994228.73 | |
| Pro/Val/Gly/Pro | 69745.45 | 8251964.60 | 12894197.95 | 18455628.50 | 15162866.00 | 16752358.20 | |
| Pro/Val/Pro/Ser | - | 2877805.58 | 4268852.45 | 6743439.88 | 5498255.42 | 6446398.00 | |
| PS(22:5/22:5) | - | 1358318.56 | 1795692.73 | 1626769.34 | 1827401.62 | 1307182.52 | |
| Pyridoxine | 176175.51 | 48248349.20 | 37232539.50 | 33296193.00 | 27513301.20 | 24434566.40 | |
| Pyroglutamic acid | 337526.99 | 9199195.00 | 6177776.75 | 8444097.12 | 8830446.25 | 8518739.65 | |
| Pyrrole-2-carboxylic acid | 71963.21 | 3701540.60 | 3317655.35 | 5391026.12 | 7225374.85 | 6200140.53 | |
| quinocarcin | 40967.68 | 7802853.00 | 6354559.50 | 7655871.50 | 7507835.35 | 6855699.15 | |
| quinonoid dihydro-(6H)-biopterin | - | 4178055.70 | 3603009.86 | 4958024.75 | 6798553.55 | 5635327.46 | |
| Saphenic acid methyl ester | 61227.47 | 3927225.73 | 3627322.98 | 6721989.12 | 9243548.40 | 8630197.00 | |
| Scopolin | - | 26129416.10 | 64445874.75 | 2443753.25 | 43608050.45 | 31557432.23 | |
| Secobarbital | 484616.00 | 198543735.20 | 153622386.80 | 141141500.00 | 83934332.80 | 86855833.60 | |
| Secobarbital_1 | 452495.42 | 7541183.25 | 6533047.35 | 7233696.38 | 6951553.45 | 6917199.85 | |
| Secobarbital_2 | 532498.19 | 18425813.15 | 15617940.80 | 15844129.75 | 9428905.65 | 8669890.95 | |
| Secobarbital_3 | 496564.39 | 21339375.55 | 13835218.10 | 14046925.75 | 11525608.40 | 10782917.55 | |
| Serine | 74537.75 | 8271129.25 | 10453747.80 | 13957662.25 | 11459065.70 | 12939912.55 | |
| sn-glycero-3-phospho-N-(palmitoyl)ethanolamine | - | 20493007.30 | 22085494.80 | 27565997.50 | 33503925.60 | 31316678.40 | |
| sulfonic acid | - | 55826193.80 | 61888120.60 | 54008339.00 | 41294967.80 | 47789916.20 | |
| Taxiphyllin | - | 11389817.15 | 12362205.90 | 13477518.75 | 13922301.10 | 12815846.85 | |
| TG(10:0/13:0/8:0) | - | 5732220.00 | 5589073.97 | 5789856.62 | 5538964.40 | 5410595.58 | |
| Theonellasterol D | - | 9976027.80 | 13097753.50 | 14459167.75 | 17371597.60 | 16962147.80 | |
| Thr/Ala/Ala | - | 8170835.00 | 7018964.45 | 8703450.00 | 12149991.25 | 9089030.10 | |
| Threonine | 151756.29 | 18858173.50 | 29474162.00 | 29077512.00 | 24866264.40 | 38188558.80 | |
| Threoninyl-Tyrosine | - | 4234769.33 | 3429132.56 | 6054320.62 | 7980858.30 | 7059781.62 | |
| Thr/Val/Tyr | - | 7119655.85 | 7437471.92 | 5682891.50 | 3685011.38 | 3957771.42 | |
| Triacetin | - | 9267324.80 | 9757056.28 | 7857100.88 | 7888671.80 | 6250043.30 | |
| Triethanolamine | 2620783.12 | 6473531.42 | 8757066.20 | 7083773.50 | 3670058.79 | 8111033.08 | |
| Trigonelline | 85389.60 | 32028765.40 | 23514321.20 | 38928746.00 | 44806217.20 | 43901325.50 | |
| tryptophanhydroxamate | 55376.32 | 5395889.67 | 3261860.60 | 3066097.00 | 2465605.83 | 2077974.31 | |
| Tyr-OEt | 127110.55 | 3263472.38 | 2862371.61 | 2766894.31 | 2613684.15 | 2630829.66 | |
| Uridine | - | 2853663.91 | 3634495.17 | 4576237.94 | 5227799.22 | 5701231.55 | |
| Val/Gly/Ser | - | 3587742.22 | 5135737.94 | 5911143.12 | 5604220.96 | 5895195.33 | |
| Valine | 599288.20 | 668223587.20 | 882643603.20 | 754680656.00 | 612742614.40 | 596111539.20 | |
| Val/Pro/Pro | 40412.51 | 3647814.12 | 3741526.30 | 4592557.88 | 4389108.67 | 4196614.35 | |
| Val/Pro/Ser | - | 4024147.33 | 3789117.92 | 7926118.25 | 10860610.90 | 10019261.00 | |
| Valyl-Asparagine | - | 2515151.50 | 1272439.57 | 2226691.50 | 2216427.88 | 1845572.32 | |
| Valyl-Tyrosine | 61881.11 | 18723479.30 | 12137498.50 | 12758792.50 | 11384138.10 | 11187359.95 | |
| Valyl-Tyrosine_1 | - | 6633452.95 | 6893741.05 | 6695517.75 | 5127612.88 | 5584478.60 | |
| Valyl-Tyrosine_2 | 64141.40 | 10993943.95 | 8758625.10 | 9346820.00 | 10046408.35 | 9864359.80 | |
| Valyl-Valine | - | 1944901.29 | 2813348.58 | 3025829.00 | 2392237.58 | 3333236.19 | |
| Vanilpyruvic acid | 91005.61 | 14806067.20 | 12840489.35 | 10548673.25 | 6793420.50 | 6776505.38 | |
| Zidovudine | 60788.30 | 3846390.70 | 3253725.75 | 5818685.00 | 3964096.12 | 4132218.79 |
Factors:
| F1 | Sample source:Extraction solvent | treatment:Extraction solvent |
| F2 | Sample source:mice stool | treatment:Non_responder_donor A |
| F3 | Sample source:mice stool | treatment:Non_responder_donor B |
| F4 | Sample source:mice stool | treatment:pooled QC |
| F5 | Sample source:mice stool | treatment:Responder_donor C |
| F6 | Sample source:mice stool | treatment:Responder_donor D |
