Data for ST003053
| Metabolite structure | All data | F1 | F2 | F3 | F4 | F5 | F6 | F7 |
|---|---|---|---|---|---|---|---|---|
| 11-O-Demethylpradinone I | - | 157770.67 | 200384.00 | 112712.00 | 200367.25 | 221680.50 | - | |
| 13^-hydroxy-alpha-tocotrienol | 5311215.25 | 1049398.50 | 342040.75 | - | - | - | 350725.33 | |
| 13-[O(2^)-β-D-glucopyranosyl-β-D-glucopyranosyloxy]docosan... | - | 32912.00 | 39524.50 | 93413.00 | 70028.50 | 39846.50 | 51337.33 | |
| 16-bromo-7E,15E-hexadecadien-5,13-diynoic acid | 333730.00 | 908849.75 | 502981.00 | 1039637.00 | 597303.25 | 392443.75 | 1000186.67 | |
| 1,8-Diazacyclotetradecane-2,9-dione | 56759597.75 | 31033910.00 | 29528583.50 | 34435940.25 | 30719300.75 | 30431334.25 | 42395464.33 | |
| 1-acyl-sn-glycero-3-phosphoglycerol (n-C18:0) | 772746.75 | 473929.25 | 419107.50 | 1253166.25 | 855723.25 | 574991.75 | 935304.67 | |
| 1-Epideacetylbowdensine | 1029358.00 | 409479.50 | 463625.50 | 524099.50 | 326378.50 | 390030.50 | 630943.00 | |
| 1-Epideacetylbowdensine_1 | 864668.75 | 276159.75 | 239777.25 | 273108.25 | 183573.75 | 273604.50 | 338213.00 | |
| 1-Isothiocyanatopentane | 61664.25 | 42342.50 | 31772.50 | 45313.50 | 105129.75 | 78007.25 | 75014.00 | |
| 1-O-Methyl-myo-inositol | 149742.75 | 169493.75 | 208258.50 | 177439.00 | 179216.50 | 178253.00 | 216367.00 | |
| (1R,6R)-6-Hydroxy-2-succinylcyclohexa-2,4-diene-1-carboxylat... | 821249.00 | 2107375.50 | 1143608.00 | 2155015.50 | 655075.25 | 313438.67 | 1700782.00 | |
| (1xi,3xi)-1,2,3,4-Tetrahydro-1-methyl-beta-carboline-3-carbo... | 100937.25 | 90747.50 | 103231.50 | 80133.75 | 111938.50 | 88982.75 | 133014.33 | |
| 20-Trihydroxy-leukotriene-B4 | - | - | 50833.50 | - | 66887.00 | 115021.50 | 77946.00 | |
| 2,2-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-7-hydroxy-2H-1-benz... | - | - | 280339.00 | - | 145202.00 | 274128.75 | - | |
| 2-(2-Methoxyphenyl)-4H-furo[2,3-h]-1-benzopyran-4-one | 18626.50 | 39488.75 | 90120.00 | 33942.00 | 73058.25 | 74470.25 | 101944.00 | |
| 2,3-Dimethylmaleate | 225510.00 | 148406.00 | 144266.50 | 169777.50 | 148825.50 | 158315.00 | 346987.67 | |
| 2-(4-Methyl-5-thiazolyl)ethyl butanoate | 548477.00 | 321520.25 | 315084.00 | 364881.00 | 299998.50 | 297568.00 | 432689.00 | |
| 2-(4-Methyl-5-thiazolyl)ethyl butanoate_2 | 14303895.00 | 7458404.50 | 7571446.00 | 8649596.50 | 7764797.75 | 7377485.50 | 10279610.00 | |
| 2-(4-Methyl-5-thiazolyl)ethyl propionate | 249213.00 | 126808.75 | 100299.00 | 145537.00 | 125687.50 | 113372.00 | 198402.67 | |
| 2^^,6^^-Di-O-acetylononin | - | 28575.75 | 61207.25 | 32103.75 | 91059.75 | 87796.00 | 135388.00 | |
| 2,6-Dioxo-6-phenylhexanoate | 31899.00 | 41851.25 | 122722.25 | 57243.75 | 91379.25 | 112356.25 | 129938.00 | |
| 2,7-Anhydro-alpha-N-acetylneuraminic acid | 31898.50 | 20884.00 | 44495.00 | 28611.00 | 34663.67 | 86212.50 | 57369.33 | |
| 2-amino-4-oxo-6-(erythro-1^,2^,3^-trihydroxyprolyl)-7,8-dihy... | 126163.25 | 123997.75 | 122941.75 | 85683.75 | 103750.25 | 100058.25 | - | |
| 2-Benzothiazolesulfonamide | 873803.33 | - | - | 349381.00 | 190740.75 | - | 259909.33 | |
| 2-C-Methyl-D-erythritol 4-phosphate | 147721.50 | 61230.00 | 90489.67 | 58612.50 | - | 81989.00 | 548448.33 | |
| 2-Deoxy-D-ribose 1-phosphate | 70979.50 | 435206.50 | 359752.25 | 909033.75 | 422235.00 | 335451.50 | 561186.33 | |
| 2-Dodecylbenzenesulfonic acid | 82952716.75 | 22613068.50 | 9951759.75 | 5107467.25 | 4347362.00 | 3641941.75 | 14494350.67 | |
| 2-hydroxy-3-carboxy-4,5-cyclopropylhex-5-enoate | 406624.00 | 220537.00 | 212828.00 | 298422.25 | 236690.25 | 170728.00 | 264330.33 | |
| 2-hydroxy-4-methylthiobutanoate | - | 846105.67 | 1897415.67 | 649745.00 | 1372294.50 | 1653398.25 | 1067578.00 | |
| 2-Isopropylmaleate | 3051350.50 | 1862776.75 | 2603011.25 | 2485769.50 | 1979035.50 | 1831422.75 | 2661013.33 | |
| 2-Isopropylmaleate_1 | 366507.50 | 209413.00 | 190765.25 | 216222.50 | 199149.50 | 196435.25 | 265129.33 | |
| 2-Isopropylmaleate_2 | 660838.50 | 374815.50 | 393740.50 | 400714.50 | 364611.50 | 377684.50 | 514204.67 | |
| 2-Methyl-4-propyl-1,3-oxathiane | 534967.75 | 288901.25 | 266467.00 | 313497.75 | 304706.50 | 279981.75 | 403715.33 | |
| 2-Octenedioicacid | 3696076.75 | 2291172.00 | 2914596.50 | 3184839.25 | 2498670.00 | 2515332.25 | 3084701.33 | |
| 2-Octenedioicacid_1 | 630093.75 | 290828.75 | 259529.50 | 286833.25 | 253406.50 | 231660.00 | 368002.00 | |
| 2-Octenedioicacid_2 | 311965.25 | 185774.75 | 195871.75 | 204787.50 | 176885.00 | 171507.75 | 272604.00 | |
| 2-oxo-5-chloro-4-pentenoate | 73875.50 | 203486.00 | 173849.75 | 46939.50 | 62056.67 | 216305.75 | 687381.33 | |
| 2-oxo-8-methylthiooctanoate | - | - | 47105.50 | - | - | 116192.75 | 82862.33 | |
| 2-Oxoadipate | 82799.25 | 174414.25 | 54770.75 | 202374.00 | 75994.00 | 50285.25 | 142514.67 | |
| 2-Oxobutanoate | 120738.25 | 176638.50 | 244041.25 | 149138.50 | 181948.50 | 198464.50 | 239014.67 | |
| 2-Oxobutanoate_2 | 161403.50 | 277267.50 | 349638.25 | 575564.75 | 398260.50 | 273994.75 | 457721.33 | |
| 2-Oxobutanoate_3 | 86439.50 | 124983.25 | 91151.50 | 281176.50 | 133806.75 | 88075.75 | 149658.33 | |
| 2-Oxoglutarate | 617329.00 | 1997832.25 | 3132643.00 | 1437815.50 | 2104638.00 | 2369315.00 | 2747695.67 | |
| 2-oxopropane sulfonate | 131871.50 | 74005.75 | 70482.00 | 76721.25 | 75648.75 | 69829.75 | 90607.33 | |
| (2R,3S,6S)-2,6-diamino-3-hydroxy-diaminopimelate | 72076.00 | 104764.75 | 156129.75 | 90462.00 | 77465.25 | 117557.25 | 142170.00 | |
| (2S)-2-Isopropylmalate | - | - | 72619.00 | - | - | - | 216708.33 | |
| (2S,4S)-Monatin | 168742.50 | 121279.25 | 159083.50 | 109090.50 | 181117.50 | 151720.00 | 187157.67 | |
| (2S,4S)-Monatin_1 | 141336.50 | 84638.50 | 66938.25 | 73941.00 | 67070.75 | 90230.25 | 111315.67 | |
| 2S-Hydroxytetradecanoic acid | 295659.75 | 178452.50 | 172269.00 | 208439.50 | 166410.00 | 160814.25 | 251839.67 | |
| 2S-Hydroxytetradecanoic acid_1 | 783483.50 | 234824.25 | 243942.25 | 218693.00 | 168920.50 | 198941.00 | 253409.00 | |
| 2-trans,6-trans-Farnesal | 520426.00 | 178329.00 | 145496.75 | 150388.25 | 134636.00 | 133065.75 | 216645.00 | |
| 3,3-dimethyl-2-oxobutyric acid 5-(6-aminopurin-9-yl)-3,4-dih... | 34721.00 | 87560.50 | 654894.00 | 67459.50 | 428665.50 | 1086559.50 | 624132.33 | |
| 3,3^-Thiobispropanoic acid | 45269.75 | 57806.25 | 144436.50 | 41268.75 | 184330.75 | 162924.50 | 164543.00 | |
| 3,3^-Thiobispropanoic acid_2 | - | 16046.00 | 71497.00 | 21103.25 | 115214.75 | 169376.00 | 90003.33 | |
| 3,4-Dicaffeoyl-1,5-quinolactone | - | 19166.00 | 63621.50 | 45810.50 | 50947.25 | 248808.00 | 133557.33 | |
| 3-(4-Hydroxyphenyl)pyruvate | 39183.00 | 80214.50 | 149943.50 | 55587.50 | 119308.75 | 126963.25 | 135847.67 | |
| 3^,5^-Cyclic AMP | 23409.00 | 81132.25 | 127049.50 | 91452.50 | 153736.00 | 161022.00 | 147792.00 | |
| 3,5-Dichloro-4-hydroxy-2-methoxy-6-methylbenzoic acid | 191973.75 | 105450.25 | 96698.75 | 102911.25 | 99573.25 | 101940.25 | 130543.00 | |
| 3^,5-Dihydroxy-3,4^,7-trimethoxyflavone | - | - | 78465.75 | 24097.00 | 34791.25 | 39028.00 | 53424.67 | |
| 3-carboxy-4-methyl-5-propyl-2-furanpropanoic acid | 263790.50 | 163082.25 | 161344.00 | 193072.00 | 148960.50 | 150088.00 | 220842.67 | |
| 3^-Deaminofusarochromanone | 552662.50 | 230018.00 | 206551.00 | 266741.75 | 181390.50 | 164686.75 | 312294.00 | |
| 3-Deoxy-D-manno-octulosonate | - | - | - | - | - | - | 182040.67 | |
| 3-Deoxy-D-manno-octulosonate_2 | - | - | 80545.00 | - | 69782.75 | 182932.50 | 83164.00 | |
| 3-Ethylmalate | 1537883.00 | 3505687.75 | 4037053.50 | 885915.75 | 3004648.00 | 3394940.75 | 10271306.33 | |
| 3-Hydroxyanthranilate | 258527.00 | 135101.25 | 133866.25 | 169472.75 | 140073.50 | 129402.25 | 215851.67 | |
| 3-Hydroxy-carbofuran | 88679.50 | 221067.50 | 501472.25 | 190375.50 | 433857.50 | 337037.00 | 547233.67 | |
| 3-Hydroxy-carbofuran_2 | 76574.00 | 246104.25 | 352860.00 | 212354.25 | 467909.50 | 309295.25 | 383546.67 | |
| 3-Hydroxy-cis-5-tetradecenoylcarnitine | 570610.00 | 115025.00 | 171731.50 | 229480.00 | 162245.75 | 199592.50 | 235204.00 | |
| 3-Hydroxyhexobarbital | 68393.25 | 82076.25 | 81122.25 | 69719.00 | 71119.50 | 91807.50 | 105866.00 | |
| 3-Hydroxy-palmitic acid methyl ester | 330617.50 | 175329.75 | 166448.75 | 192587.25 | 160262.75 | 157615.50 | 227225.33 | |
| 3-Hydroxy-palmitic acid methyl ester_1 | 777481.25 | 182603.50 | 206272.75 | 255919.25 | 213286.25 | 203503.50 | 286852.33 | |
| 3-Hydroxysebacicacid | 224039.75 | 89583.50 | 116208.75 | 118931.25 | 100701.50 | 103778.75 | 156846.33 | |
| 3-Methoxy-4-hydroxyphenylglycolaldehyde | 1412301.25 | 6047728.50 | 3855911.50 | 4439250.75 | 1941177.00 | 750505.75 | 8784086.33 | |
| 3-Methoxy-4-hydroxyphenylglycolaldehyde_2 | 113057.00 | 464959.75 | 1907956.75 | 660309.50 | 1562143.00 | 2481136.75 | 1699102.33 | |
| 3-Methyl-2-oxobutanoic acid | 249117.75 | 339205.75 | 335858.00 | 269090.25 | 245385.50 | 240298.75 | 360744.67 | |
| 3-Methyl-2-oxobutanoic acid_1 | 264049.00 | 280751.00 | 214909.25 | 109231.25 | 103040.25 | 207405.50 | 424915.00 | |
| 3-(Methylthio)propionic acid | 123208.25 | 104405.75 | 89973.25 | 87917.25 | 121937.75 | 113578.25 | 114569.67 | |
| 3-Oxododecanoic acid | 591574.67 | 164294.75 | 182280.25 | 384905.00 | 137118.25 | 197201.00 | 982447.67 | |
| 3-Oxododecanoic acid_1 | 136585.50 | 69968.25 | 59413.75 | 67268.75 | 49392.25 | 62106.25 | 105147.67 | |
| 3-Oxohexobarbital | 119643.25 | 105855.00 | 146074.50 | 115595.50 | 153542.75 | 132409.75 | 174419.67 | |
| (3S)-3-Carboxy-3-hydroxypropanoyl-CoA | - | - | 131764.25 | - | 37505.50 | 182486.00 | 105063.00 | |
| (3S,5R)-carbapenam | 55800.00 | 83880.75 | 201087.25 | 300446.25 | 409028.75 | 434493.75 | 361052.00 | |
| 3-sulfopropanoate | 20428.00 | 47594.25 | 45880.50 | 60050.75 | 51361.50 | 45292.75 | 105850.33 | |
| 3-ureidoacrylate | 145329.50 | 80479.75 | 77039.00 | 88564.00 | 76940.25 | 72596.50 | 107830.00 | |
| 4-8dimethylnonanoylcarnitine | 462774.00 | 181581.00 | 346552.00 | 262230.75 | 245187.75 | 405371.00 | 427366.33 | |
| 4-Aminobutanoate | 287424.25 | 202473.75 | 215303.50 | 246845.00 | 210958.75 | 235552.75 | 281776.00 | |
| 4^-Demethyldeoxypodophyllotoxin | - | 256195.00 | - | 156661.25 | 75823.50 | - | 103127.33 | |
| 4-Hydroxy-3-nitrosobenzamide | 330549.00 | 172772.50 | 170802.50 | 187916.50 | 165150.50 | 150424.50 | 224977.33 | |
| 4-Hydroxy-4-methylglutamate | 64057.00 | 305753.00 | 62782.75 | 61465.25 | 23899.25 | 31182.25 | 117729.67 | |
| 4-Hydroxy-4-methylglutamate_2 | 65650.00 | 359720.25 | 354904.75 | 448421.75 | 606701.25 | 370584.25 | 453625.33 | |
| 4-Hydroxycinnamyl alcohol 4-D-glucoside | 132197.50 | 78329.50 | 81088.75 | 70426.00 | 65912.75 | 78901.00 | 129367.67 | |
| 4-Hydroxyphenylacetaldehyde | 3242667.50 | 1702553.75 | 2045866.50 | 1504908.75 | 1674996.25 | 1900058.50 | 1988734.67 | |
| 4-Hydroxyphenylacetate | 84430.25 | 62406.75 | 119684.75 | 70397.00 | 119419.00 | 161324.00 | 136682.67 | |
| 4-Hydroxyphenylacetylglycine | 37971.33 | 48250.75 | 41866.50 | 72136.75 | 71623.75 | 75540.75 | 93705.00 | |
| 4-Imidazolone-5-acetate | 246701.00 | 138632.00 | 160887.75 | 160888.75 | 137729.25 | 131695.50 | 205693.00 | |
| 4-Imidazolone-5-acetate_1 | 161600.25 | 88537.25 | 83773.00 | 95313.25 | 79759.25 | 79969.50 | 110525.67 | |
| 4-Imidazolone-5-propanoate | 41384.75 | 50208.75 | 50295.00 | 24328.25 | 79694.25 | 67022.50 | 73048.67 | |
| 4-Methyl-2-oxopentanoate | 597833.25 | 1031513.00 | 800678.75 | 819815.75 | 771219.00 | 576827.75 | 956457.33 | |
| 4-Methyldibenzothiophene | 804475.25 | 983434.75 | 634384.75 | 1146030.00 | 731865.25 | 460335.25 | 1013630.33 | |
| 4-Methylene-L-glutamate | 52453.25 | 125963.00 | 39750.25 | 145927.25 | 39520.25 | 42073.25 | 97672.33 | |
| 4-Methylene-L-glutamine | 15751.67 | 16303.50 | 83075.75 | 23612.75 | 47684.75 | 75886.00 | 64545.33 | |
| 4-Oxoglutaramate | 70680.50 | 288263.50 | 72939.75 | 78717.75 | 32120.00 | 41409.25 | 127550.00 | |
| 4-Oxoglutaramate_2 | 134591.75 | 200468.50 | 122342.25 | 193125.00 | 137223.25 | 108227.50 | 196429.33 | |
| 4-Pyridoxolactone | 94307.25 | 81532.25 | 105198.50 | 127257.50 | 180539.00 | 185904.25 | 183085.00 | |
| 4-Toluenesulfonamide | 147439.00 | 87694.00 | 83578.50 | 92194.00 | 80843.75 | 78142.25 | 105304.33 | |
| 5,6-Dihydrothymine | 123405.75 | 70991.00 | 70805.50 | 80441.00 | 74569.25 | 69154.75 | 92702.67 | |
| 5,6-Dihydrouracil | 89534.25 | 87351.75 | 137373.75 | 112490.25 | 108661.25 | 153003.75 | 152481.33 | |
| 5,6-Dihydrouracil_2 | 145639.25 | 349797.75 | 401993.75 | 521426.75 | 444209.25 | 475062.50 | 505550.00 | |
| 5,6-Dihydrouracil_3 | 134990.25 | 358187.25 | 413893.75 | 338256.50 | 377277.75 | 463543.50 | 490925.33 | |
| 5,6-Dihydrouracil_4 | 53546.50 | 100420.50 | 101401.25 | 67691.50 | 112466.25 | 149313.25 | 134653.00 | |
| 5,6-Dihydrouracil_5 | 447921.25 | 245628.25 | 223282.00 | 273535.75 | 224970.50 | 212865.00 | 300434.33 | |
| 5-Acetamidopentanoate | 6283565.25 | 6683364.25 | 6792347.25 | 5086118.25 | 7787984.25 | 7666314.75 | 6783088.67 | |
| 5-Acetamidopentanoate_2 | 117286.00 | 117539.50 | 124411.25 | 82029.00 | 146228.75 | 120800.50 | 162726.67 | |
| 5-Aminolevulinate | 104334.75 | 158298.00 | 170404.00 | 139003.50 | 103604.25 | 97218.25 | 173431.00 | |
| 5-Hydroxyindoleacetate | 745722.00 | 782848.75 | 445537.50 | 625781.75 | 369588.50 | 375488.50 | 746147.33 | |
| 5-Hydroxy-L-tryptophan | 65002.25 | 71152.00 | 114217.75 | 105021.25 | 103363.00 | 89682.75 | 105648.67 | |
| 5-Hydroxypentanoate | 995838.75 | 3828861.50 | 6122803.50 | 3952821.25 | 3861928.75 | 3217145.50 | 4245345.00 | |
| 5-Hydroxypyrazinamide | 142713.50 | 85270.25 | 72730.00 | 88807.50 | 74023.00 | 66483.75 | 99556.00 | |
| 5-Methoxytryptophan | 1298030.25 | 1693190.75 | 1629607.75 | 2044033.25 | 1660996.50 | 1340624.25 | 2018712.00 | |
| 5-methylthiopentanonitrile oxide | 172251.00 | 107475.75 | 132488.25 | 117355.25 | 104043.25 | 98933.75 | 137107.67 | |
| 5-O-(1-Carboxyvinyl)-3-phosphoshikimate | - | 270312.33 | 63595.00 | 157771.00 | 33994.67 | - | 152473.00 | |
| (+/-)-5-[(tert-Butylamino)-2^-hydroxypropoxy]-1,2,3,4-tetrah... | 156621.75 | 89738.50 | 84033.50 | 89703.00 | 82146.25 | 83686.75 | 119662.33 | |
| (+/-)-5-[(tert-Butylamino)-2^-hydroxypropoxy]-1,2,3,4-tetrah... | 327736.25 | 160897.75 | 165891.75 | 175700.75 | 152513.50 | 149497.50 | 194484.00 | |
| 6,7-Dimethyl-8-(1-D-ribityl)lumazine | 113775.00 | 299167.00 | 492049.25 | 193368.00 | 503211.75 | 483215.50 | 562377.33 | |
| 6-(alpha-D-Glucosaminyl)-1D-myo-inositol 1,2-cyclic phosphat... | - | 74607.00 | 141568.25 | 70585.75 | 78917.25 | 118256.50 | 188043.00 | |
| 6-endo-Hydroxycineole | 348250.00 | 124085.50 | 122802.00 | 106634.00 | 83701.75 | 93461.00 | 235816.33 | |
| 6-Hydroxy-6a,12a-dehydro-alpha-toxicarol | 645261.75 | 1675629.75 | 631118.25 | 4050394.50 | 1568737.75 | 1856806.25 | 2211346.33 | |
| 6-Hydroxynicotinate | 164515.50 | 196416.75 | 246617.00 | 394270.00 | 450525.75 | 160105.00 | 622035.00 | |
| 6-Methoxy-3-(2-thiazolyl)-1H-indole | 2796217.25 | 3464060.00 | 2947394.25 | 4732025.25 | 3301614.00 | 3964976.50 | 198818.33 | |
| 6-methylthiohexylhydroximate | 73224.50 | 106464.50 | 149262.75 | 114877.50 | 71121.50 | 100164.50 | 119336.33 | |
| 6-Phospho-2-dehydro-D-gluconate | - | 124964.50 | - | 62487.25 | 26567.00 | - | 96503.00 | |
| 8-Oxodeoxycoformycin | 125350.75 | 72219.50 | 62998.75 | 72170.75 | 58179.00 | 67183.50 | 85896.33 | |
| (9S,10S)-10-Hydroxy-9-(phosphonooxy)octadecanoate | 198651.33 | 141274.50 | 145517.50 | 235907.75 | 165986.25 | 132095.50 | 194108.00 | |
| acinetobactin | 536132.50 | 248427.25 | 284824.00 | 359524.50 | 198317.25 | 212879.67 | 388815.33 | |
| Acrylic acid-2-acrylamido-2-methyl propane sulfonic acid cop... | 117443.50 | 239819.75 | 180150.75 | 296665.75 | 363055.00 | 213590.50 | 301530.33 | |
| a Cysteine adduct | 98749.00 | 506402.00 | 134946.50 | 504242.50 | 186200.50 | 139204.50 | 370245.67 | |
| Adenine | 366167.00 | 332922.25 | 277460.25 | 498371.00 | 237176.00 | 215217.25 | 344032.33 | |
| Adenine_2 | 226466.75 | 413843.50 | 481257.25 | 534832.50 | 482438.50 | 399458.00 | 627155.67 | |
| Adenine_3 | 287432.50 | 328617.50 | 374632.50 | 573330.75 | 272040.25 | 206830.75 | 334672.67 | |
| Adenine_4 | 14758001.50 | 15910842.00 | 12724162.25 | 20828713.50 | 12297688.25 | 8305663.25 | 16041175.33 | |
| ADP | 106635.75 | 100370.00 | 91944.25 | 114926.50 | 107082.50 | 95603.25 | 144824.33 | |
| ADP_2 | 147774.25 | 401647.75 | 593704.75 | 565552.50 | 649548.75 | 715029.50 | 827541.33 | |
| Ala-Ala-Ala-Arg | 186549.75 | 135124.00 | 354544.00 | 125180.75 | 165881.25 | 259055.50 | 246672.33 | |
| Ala-Asn-Asp-Pro | 61217.00 | 682209.00 | 399470.50 | 613549.50 | 229929.75 | 264395.50 | 498631.00 | |
| Ala-Asp-Cys-His | - | 548140.75 | - | 604008.00 | 75766.75 | - | 246611.67 | |
| Ala-Asp-Gly-Pro | 117914.25 | 318633.50 | 132853.75 | 353615.25 | 426810.50 | 265698.00 | 357029.67 | |
| Ala-Asp-Gly-Pro_2 | 166558.75 | 963338.25 | 797750.75 | 585967.50 | 817428.75 | 753926.25 | 1434511.00 | |
| Ala-Cys | 428956.75 | 764688.50 | 280308.50 | 646533.25 | 394864.00 | 238601.50 | 492319.00 | |
| Ala-Gln-Pro-Pro | - | 20956.50 | 27877.00 | 16655.00 | 99875.25 | 104348.25 | 54702.33 | |
| Ala-Glu-Ala-Glu | - | - | 44942.50 | 118131.00 | 78472.00 | 73298.00 | 56691.00 | |
| Ala-Glu-Cys-Ile | - | - | 95083.25 | - | - | 290266.75 | 121298.33 | |
| Ala-Lys-Cys-His | 48280.25 | 84342.00 | 87052.25 | 67903.50 | 71669.50 | 71611.75 | 105029.33 | |
| Ala-Lys-Phe-His | 133003.00 | 51759.33 | 75891.00 | 122417.75 | 87439.00 | 106999.50 | 113530.67 | |
| Ala-Met-Asn-Gln | - | - | - | - | - | 134081.00 | - | |
| Ala-Ser-Tyr-Arg | - | 62128.75 | 94460.00 | 350227.75 | 736862.50 | 277948.25 | 366167.00 | |
| Ala-Val-Gly-Pro | 664727.25 | 206046.75 | 69427.25 | - | - | - | 56920.00 | |
| Allogibberic acid | 821707.50 | 630438.50 | 590328.50 | 646900.25 | 594490.50 | 581885.75 | 819990.00 | |
| Alloxan | 236877.75 | 145820.25 | 118549.25 | 136482.75 | 115735.25 | 127312.25 | 165245.33 | |
| alpha-Irone | 1030037.50 | 565737.25 | 575703.25 | 635133.25 | 574627.00 | 545075.50 | 800155.33 | |
| alpha-Irone_1 | 26260686.00 | 8988993.25 | 4941160.00 | 4165073.25 | 4283354.75 | 5230096.00 | 6823031.33 | |
| alpha-N-Phenylacetyl-L-glutamine | 119890.00 | 139959.25 | 195954.00 | 185010.75 | 282414.75 | 196411.00 | 191414.00 | |
| alpha-Tocotrienol | 155116086.00 | 24332107.75 | 6413654.50 | - | - | - | 7059298.33 | |
| AMP | 100295.33 | 328388.00 | 432403.25 | 630626.75 | 547754.75 | 467296.75 | 2123433.00 | |
| Anthragallol | 24291.00 | 88738.00 | 23980.50 | 93240.00 | 20995.33 | 17197.67 | 62574.00 | |
| Apigeninidin | 135595.25 | 61073.00 | 27003.50 | 30819.25 | 41716.75 | 17509.00 | 47506.33 | |
| Arbutin | 33553.50 | 60839.25 | 60347.75 | 58444.00 | 95566.00 | 73123.00 | 93372.00 | |
| (-)-Arctigenin | 1097303.25 | 1719803.50 | 525681.25 | 1213539.25 | 808567.75 | 583010.00 | 1274539.33 | |
| Arg-Glu-Gln-Ile | 224665.50 | 198462.75 | 75653.75 | 173200.75 | 79035.00 | - | 182855.00 | |
| Arg-Leu-Lys-Asp | 1351507.25 | 1585687.75 | 1728466.25 | 2668607.00 | 2717104.75 | 2936834.25 | 3108256.00 | |
| Arg-Leu-Lys-Thr | 2012095.50 | 1117308.25 | 1098148.00 | 1278467.75 | 1109171.00 | 1001480.50 | 1578255.00 | |
| Arg-Leu-Lys-Thr_2 | 4656695.25 | 2542869.50 | 2407918.75 | 2792978.00 | 2570195.50 | 2485712.25 | 3365072.00 | |
| Arg-Leu-Phe-Phe | 1290489.25 | 330812.75 | 186253.50 | 236608.75 | 173965.50 | 223593.75 | 270803.00 | |
| Arg-Met-Arg-His | 140647.67 | 95480.75 | 79617.00 | 165249.75 | 92549.00 | 140136.00 | 203022.00 | |
| Arg-Met-Arg-His_1 | 1270391.00 | 483274.75 | 326264.25 | 363662.25 | 248141.75 | 301669.25 | 517121.00 | |
| Artemisin | 135910.00 | 96583.75 | 79513.25 | 89063.50 | 87210.00 | 82807.75 | 110866.67 | |
| Artemisin_1 | 207910.75 | 99030.75 | 116207.25 | 123127.25 | 111088.50 | 119496.25 | 188965.00 | |
| Ascorbalamic acid | - | - | 73403.75 | - | 20285.00 | 60486.50 | 151154.67 | |
| Asn-Asp-Gln-Tyr | 803192.00 | 680620.25 | 422501.25 | 602994.25 | 268120.25 | 123953.50 | 660112.67 | |
| Asn-Gln-Gln-Pro | 154798.75 | 393464.00 | 415466.00 | 323548.50 | 225493.25 | 239059.25 | 404858.00 | |
| Asn-Met-Phe-Val | 96329.00 | 263465.50 | 332537.25 | 78885.00 | 37131.00 | 302044.25 | 662379.67 | |
| Asn-Phe-Tyr-Tyr | 132111.50 | 207559.50 | 247084.25 | 182413.00 | 257453.25 | 258266.75 | 314234.33 | |
| Asn-Pro | - | 24161.75 | 74017.75 | 31290.50 | 83329.00 | 129966.00 | 141038.33 | |
| Asn-Pro-Tyr-His | - | 26045.00 | 16393.00 | 49181.50 | 109888.25 | 38631.50 | 80718.67 | |
| Asn-Trp-Asp-Gly | - | 77206.50 | 121292.50 | 42614.00 | 160207.50 | 115338.50 | 148817.67 | |
| Aspartyl-L-proline | 168622.00 | 121855.75 | 148602.50 | 110439.00 | 149174.00 | 187248.50 | 193672.00 | |
| Aspartyl-L-proline_1 | 148134.75 | 102211.75 | 73782.00 | 86292.25 | 67643.25 | 90421.25 | 115631.33 | |
| Asp-Asp-Gly-Tyr | 134717.00 | 69946.00 | 69616.00 | 80001.00 | 75388.75 | 71514.00 | 91442.00 | |
| Asp-Cys-Gly-His | - | 67632.00 | 19941.00 | 67012.75 | 48720.50 | - | 57975.00 | |
| Asp-Cys-Pro-Ser | - | 80903.25 | - | 42307.00 | 81097.00 | 29608.00 | 77563.67 | |
| Asp-Cys-Ser-His | 68865.25 | 612500.00 | 102532.00 | 634399.75 | 112266.50 | 83616.75 | 395344.67 | |
| Asp-Gln-Pro-Pro | - | - | 304217.00 | - | 122567.50 | 135772.00 | 142178.00 | |
| Asp-Leu-Asp-Pro | - | - | - | 61227.00 | 135281.25 | 109898.75 | 73912.00 | |
| Asp-Leu-Met-Pro | 102760.75 | 45851.75 | 38530.00 | 42881.00 | 43880.75 | 47052.00 | 62329.33 | |
| Asp-Met-Gln-His | 201630.00 | 139989.00 | 48677.50 | 184782.00 | 42347.50 | - | 206293.67 | |
| Asp-Met-Met-Trp | 77370.75 | 172365.00 | 43710.50 | 201495.00 | 147649.50 | 83377.50 | 158705.00 | |
| Asp-Pro-Ser | 247883.00 | 561831.75 | 334214.75 | 416055.00 | 388913.00 | 501858.75 | 616897.67 | |
| Asp-Thr-Ser-Ser | 42885.67 | 124710.00 | - | 105433.00 | 39388.75 | - | 125802.33 | |
| ATP | 57236.50 | 89688.75 | 84097.50 | 101736.00 | 97771.75 | 83046.25 | 117843.00 | |
| Bakkenolide A | 346879.50 | 202022.25 | 182360.75 | 232918.00 | 175633.50 | 191217.25 | 252611.00 | |
| Benzoate | 3735080.50 | 1651540.00 | 1442789.00 | 1837983.75 | 1320271.50 | 1363890.50 | 1852796.00 | |
| beta-Citryl-L-glutamic acid | 19295.67 | 38667.50 | 122645.25 | 55684.25 | 63934.00 | 91374.25 | 163797.00 | |
| beta-Cymaropyranose | - | 101893.33 | 735746.50 | 100091.00 | 195578.75 | 706338.50 | 556834.33 | |
| Bicozamycin | 342874.50 | 378317.25 | 243979.25 | 391977.75 | 288437.00 | 292268.00 | 350659.33 | |
| Bicuculline | - | 148724.25 | - | 232885.25 | 42970.75 | - | 84709.33 | |
| Brassicanal B | 454103.25 | 273457.50 | 250615.75 | 285968.50 | 266854.50 | 242584.50 | 373871.00 | |
| Butanoic acid | 175435.75 | 109152.25 | 94013.50 | 109999.75 | 102329.25 | 100233.00 | 129183.67 | |
| Butanoic acid_1 | 322907.25 | 215907.75 | 282698.50 | 182903.00 | 228445.50 | 291332.50 | 277784.33 | |
| Caffeic acid 3-sulfate | 348087.25 | 487948.50 | 494309.50 | 706333.75 | 537716.75 | 520238.00 | - | |
| Calystegin B2 | 126138.33 | 187315.25 | 86070.25 | 129631.25 | 83928.25 | 69851.75 | 214542.33 | |
| Carbamoyl phosphate | 11467819.25 | 6698567.00 | 3089611.00 | 6447591.00 | 5201088.25 | 4752670.75 | 29068.67 | |
| Castanospermine | 56334.25 | 136605.25 | 197712.25 | 110760.75 | 287819.75 | 173216.25 | 202446.00 | |
| chelidamate | 985199.75 | 547784.25 | 529805.25 | 610596.50 | 532900.25 | 502617.50 | 852597.33 | |
| Chondroitin 6^-sulfate | 26489.33 | 79442.00 | 90235.00 | 62514.00 | 104023.75 | 104930.50 | 110143.00 | |
| Chorismate | 250295.75 | 1051803.75 | 648076.00 | 803258.25 | 333362.00 | 127809.50 | 1675669.00 | |
| chromate | 907357.50 | 483233.25 | 480386.25 | 534589.50 | 460390.00 | 451295.25 | 631478.67 | |
| Chrysosplenetin | 92998.50 | 136186.25 | 37207.33 | 117040.75 | 60677.25 | - | 120969.67 | |
| cis-Aconitate | 113551.25 | 62207.75 | 85860.75 | 85619.00 | 76933.25 | 60409.50 | 585450.00 | |
| Citpressine I | - | 104225.75 | 195032.25 | 35412.00 | 129587.25 | 147311.75 | 164704.67 | |
| Citrate | 184248.25 | 123576.75 | 126536.50 | 203194.75 | 136145.00 | 115853.50 | 155370.00 | |
| Citrate_2 | 64787.50 | 113559.00 | 120841.75 | 145772.50 | 118217.75 | 117415.00 | 148389.67 | |
| Citrate_3 | 399996.25 | 287796.25 | 481906.25 | 590047.25 | 417983.00 | 322851.25 | 1150431.67 | |
| Citrate_4 | 509366.50 | 431051.50 | 510164.00 | 559880.75 | 590744.25 | 498652.00 | 819982.00 | |
| Citrate_5 | 92172.25 | 78360.00 | 87836.00 | 91758.25 | 58465.50 | 77777.75 | 95015.00 | |
| Clodronate | 601229.75 | 313344.25 | 201372.50 | 278115.25 | 253988.00 | 186402.75 | - | |
| Coriandrone D | 133333.75 | 73340.00 | 78313.00 | 92072.00 | 70321.00 | 70447.25 | 107178.00 | |
| CPD0-1656 | 38248.00 | 146809.75 | 42800.00 | 133470.00 | 67762.25 | 23225.25 | 166795.33 | |
| Crocetin | 45140.75 | 58494.25 | 62095.50 | 122698.25 | 68724.75 | 44461.00 | 98628.33 | |
| Cyclic ADP-ribose | 220389.25 | 521228.25 | 460022.25 | 1043812.75 | 812187.00 | 411159.00 | 911732.33 | |
| Cys-Cys-Pro-Pro | 26813.00 | 17428.00 | 193965.50 | 22991.25 | 268453.50 | 93802.75 | 225669.33 | |
| Cytosine | 118688.50 | 66376.75 | 66254.75 | 86179.75 | 67159.50 | 60294.75 | 85123.33 | |
| dAMP | 138253.00 | 289271.50 | 166194.00 | 437938.25 | 180414.50 | 121835.75 | 279414.67 | |
| Danielone | 152752.75 | 95847.00 | 104545.50 | 94493.50 | 92961.50 | 99309.50 | 130304.67 | |
| D-Arabinonate | 65725.50 | 74664.00 | 119619.75 | 80817.00 | 137037.00 | 127386.75 | 138889.00 | |
| D-Arabinonate_2 | 61640.25 | 44145.00 | 99233.25 | 62989.50 | 129263.50 | 120049.25 | 428009.67 | |
| d-biotin d-sulfoxide | 946513.00 | 737257.50 | 518172.50 | 707210.75 | 530536.75 | 689081.75 | 679214.67 | |
| dCDP | 23654.33 | 50256.75 | 34913.25 | 157164.75 | 54332.00 | 72047.50 | 99962.00 | |
| Decanoic acid | 334036.75 | 194127.75 | 214223.50 | 237035.50 | 195282.50 | 194581.25 | 265334.33 | |
| Decanoic acid_1 | 2167468.25 | 338902.00 | 187520.75 | 281352.50 | 140904.75 | 156063.25 | 365711.67 | |
| Decanoic acid_2 | 2540223.75 | 443298.50 | 409404.75 | 362827.50 | 339167.00 | 421191.75 | 651291.33 | |
| Decanoic acid_3 | 1059905.00 | 564301.50 | 569047.25 | 608227.75 | 554193.75 | 548266.00 | 744979.67 | |
| De-O-methylsimmondsin | - | 237298.00 | 330297.00 | 55932.00 | - | 280960.75 | 766487.33 | |
| Deoxyguanidinoproclavaminic acid | 41711.00 | 93377.75 | 354059.25 | 134350.75 | 374304.75 | 431564.50 | 470657.67 | |
| Deoxymannojirimycin | 111769.75 | 186650.00 | 227529.25 | 312600.75 | 241121.50 | 165707.50 | 313979.00 | |
| Deoxyuridine | 127743.75 | 98291.25 | 21198.00 | 188055.50 | 37535.25 | 22372.50 | 105210.67 | |
| Dephospho-CoA | 91758.00 | 113577.75 | 165898.75 | 68807.50 | 116444.50 | 105250.00 | 151167.00 | |
| D-Erythrose | 120121.50 | 136444.50 | 325547.75 | 132526.75 | 448994.00 | 313484.75 | 334994.67 | |
| D-Erythrose_2 | 199541.50 | 639492.75 | 924354.50 | 459791.50 | 756815.00 | 583190.75 | 949483.00 | |
| desacetylmycothiol | - | 90805.75 | 654995.50 | 92740.75 | 794594.00 | 764551.50 | 571718.67 | |
| D-Glucarate | 18870.25 | 22022.00 | 105507.50 | 28773.00 | 114833.25 | 61178.75 | 240809.00 | |
| D-Gluconic acid | 49091.25 | 57479.50 | 294101.50 | 56317.75 | 322620.75 | 351984.75 | 604075.67 | |
| D-Gluconic acid_2 | 224923.00 | 535290.75 | 6973714.00 | 720647.75 | 5881993.25 | 7506246.00 | 26129340.67 | |
| D-Glucono-1,5-lactone | 114791.00 | 466057.50 | 370288.00 | 147425.75 | 868723.50 | 638768.50 | 506420.33 | |
| D-Glucosamine | 86198021.25 | 71381564.00 | 72092649.25 | 90616508.00 | 88456917.00 | 90411279.00 | 111125601.33 | |
| D-Glucosamine 6-phosphate | - | - | - | - | - | - | 964664.67 | |
| D-Glucose | 370216.50 | 789679.75 | 6481922.00 | 841122.75 | 11563820.25 | 8825573.50 | 8681076.00 | |
| D-Glucose_2 | 320452.00 | 1510677.50 | 14941214.25 | 1535292.25 | 18726918.75 | 14037818.00 | 11504683.67 | |
| D-Glucose 6-phosphate | 122300.00 | 149687.00 | 328906.25 | 110015.50 | 153746.25 | 216937.50 | 283780.00 | |
| D-Glucose 6-phosphate_2 | 42983.25 | 84707.50 | 171196.50 | 150833.25 | 143466.50 | 77993.00 | 196538.67 | |
| D-Glycerate | 77914.00 | 46909.50 | 111112.75 | 81361.50 | 76635.75 | 85290.25 | 108447.67 | |
| D-glycero-L-galacto-Octulose | - | - | 33310.25 | 26338.00 | 108774.75 | - | 45897.00 | |
| Diacetyl | 77013.00 | 276263.75 | 220817.00 | 70278.00 | 61470.50 | 203429.75 | 478238.00 | |
| dichlorochromopyrrolate | 32077.33 | 85080.25 | 56500.25 | 84342.50 | 63182.75 | 49162.75 | 43565.67 | |
| Diethyl 2-methyl-3-oxosuccinate | 167257.25 | 97064.00 | 98455.75 | 97440.75 | 87933.00 | 92132.75 | 163784.33 | |
| Dihydro-4,4-dimethyl-2,3-Furandione | 252345.00 | 208795.75 | 160600.50 | 222940.25 | 176572.00 | 112274.75 | 231290.33 | |
| Dihydro-NAME | 33352.50 | 125525.25 | 47357.75 | 217548.50 | 161479.50 | 130748.75 | 166714.33 | |
| Dihydro-NAME_2 | - | - | 113321.75 | - | 138027.25 | 69239.25 | 101398.00 | |
| dihydrothymidine | 116579.00 | 197667.33 | 226035.00 | 214519.25 | 415043.25 | 440629.75 | 414222.00 | |
| dihydrothymidine_2 | - | 21662.00 | 82436.50 | 24581.50 | 54535.25 | 179931.50 | 86905.33 | |
| Dinoseb | 390898.00 | 229136.00 | 236562.25 | 249585.50 | 213523.25 | 228342.75 | 324747.33 | |
| di-trans,poly-cis-undecaprenyl phosphate | 176436.25 | 46500.50 | 40531.33 | 14728.67 | 44020.50 | 23250.50 | 19409.00 | |
| Dodecanoic acid | 13021526.00 | 6941393.00 | 6692473.75 | 7350477.25 | 6809481.75 | 6870195.50 | 9624018.67 | |
| Dodecanoic acid_1 | 3728224.25 | 1485123.00 | 2338132.50 | 1865301.75 | 1936410.75 | 3850569.75 | 3061214.33 | |
| D-Ribose 5-phosphate | 37390.25 | 102868.75 | 100300.25 | 137703.75 | 80044.00 | 62560.75 | 179294.00 | |
| D-Ribose 5-phosphate_2 | - | 250032.50 | 300956.50 | 324377.75 | 306669.00 | 237660.00 | 718756.33 | |
| D-Sedoheptulose 7-phosphate | 82091.25 | 272667.25 | 270768.25 | 387276.50 | 327414.50 | 139754.00 | 406132.00 | |
| dTDP | 143487.00 | 326675.00 | 467219.00 | 578742.75 | 371321.25 | 376086.25 | 1266962.67 | |
| dTDP-3-amino-2,3,6-trideoxy-D-threo-hexopyranos-4-ulose | 551827.33 | 3550033.50 | 5161697.75 | 2779520.50 | 4584260.75 | 4054825.75 | - | |
| dTTP | 33868.00 | 143251.25 | 298115.50 | 321742.50 | 379191.25 | 391523.00 | 468444.33 | |
| Edifenphos | - | 91249.50 | 77343.00 | 43001.75 | 21185.00 | 94824.50 | 156846.33 | |
| Elenaic acid | 810176.75 | 511097.25 | 585913.50 | 593818.00 | 480523.75 | 506205.25 | 726738.33 | |
| Elenaic acid_1 | 512684.00 | 283040.00 | 297048.50 | 294797.75 | 260432.00 | 251783.50 | 363000.00 | |
| Epicatechin 3-O-(3-O-methylgallate) | 63332.50 | 284133.00 | 88500.50 | 432196.75 | 125388.50 | 245193.75 | 299568.67 | |
| Epigallocatechin 5,3^,5^-trimethyl ether 3-O-gallate | 22106.00 | 21652.75 | 68167.75 | 33872.00 | 96182.50 | 116069.25 | 96100.33 | |
| Eruberin A | 457937.00 | 1593725.50 | 1105147.50 | 166336.75 | 154974.50 | 1141265.00 | 2525976.33 | |
| ethyl-2-methylacetoacetate | 181936.75 | 124481.25 | 140840.00 | 136257.50 | 133941.50 | 112390.25 | 188493.00 | |
| Ethyl isopropyl disulfide | 55270.00 | 74758.75 | 33451.67 | 151799.75 | 84948.75 | 31864.75 | 89796.00 | |
| Eugenol methyl ether | 191750.50 | 112153.75 | 114964.25 | 133722.50 | 111456.00 | 100197.75 | 174332.33 | |
| [FA (11:0/2:0)] Undecanedioic acid | 62694.00 | 46763.25 | 37724.00 | 55903.25 | 86834.25 | 59639.25 | 68012.33 | |
| [FA (11:0)] undecanoic acid | 420890.25 | 219730.50 | 225775.00 | 247886.00 | 228197.25 | 223091.25 | 295005.33 | |
| FA (12:1) Decenedioic acid | 243130.50 | 178268.25 | 251218.50 | 186561.25 | 170453.75 | 135146.75 | 213627.67 | |
| FA (14:1) tetradecenoic acid | 1021436.50 | 445535.50 | 752695.50 | 671473.00 | 585215.75 | 1281022.75 | 949801.00 | |
| FA(16:0) | 37001828.75 | 20912341.75 | 19776101.00 | 22240418.00 | 19319788.00 | 19725661.25 | 28477506.33 | |
| FA(16:0)_1 | 129762463.25 | 37983306.75 | 38580812.75 | 31069017.75 | 25742968.75 | 37443347.25 | 45052266.67 | |
| FA(16:1) | 3341165.50 | 1614090.75 | 3026323.00 | 1985569.25 | 1833639.50 | 3772518.00 | 2887419.33 | |
| FA (17:0) | 1634824.00 | 889613.00 | 798696.50 | 952562.25 | 785322.75 | 838050.25 | 1196061.00 | |
| FA (17:0)_1 | 40436822.25 | 6592553.50 | 3296566.25 | 3553350.75 | 2511930.50 | 2233112.75 | 5442648.33 | |
| [FA (18:1)] 9Z-octadecenoic acid | 611572.00 | 363644.75 | 341405.50 | 409107.75 | 350253.00 | 314111.00 | 463494.00 | |
| [FA (18:1)] 9Z-octadecenoic acid_1 | 28425040.75 | 10672122.75 | 16242844.00 | 9616877.25 | 9298013.50 | 17903529.25 | 15895585.33 | |
| FA (19:1) | 2260877.50 | 677613.00 | 465479.25 | 412876.25 | 456442.00 | 521428.50 | 586819.67 | |
| FA (20:0) | 64003834.50 | 41679999.00 | 8254947.50 | 3939042.25 | 3339060.75 | 4156879.50 | 12650084.33 | |
| FA (20:1) | 10221551.75 | 3435399.00 | 674829.00 | 814596.25 | 535341.00 | 424004.75 | 1549893.33 | |
| [FA (21:2)] octadecenoic Acid | 1366894.25 | 651856.50 | 336399.50 | 339061.75 | 283017.25 | 719988.25 | 455342.00 | |
| FA (22:1) | 1432527.50 | 787049.00 | 366708.75 | - | 207526.00 | 206953.50 | 337299.00 | |
| [FA (5:2)] 2,4-pentadienoic acid | 83029.00 | 158964.25 | 137365.75 | 58265.00 | 60097.25 | 122068.50 | 244557.33 | |
| [FA (7:0/2:0)] Heptanedioic acid | 1019990.00 | 678701.25 | 939191.25 | 934258.75 | 771823.25 | 656106.50 | 918566.33 | |
| [FA (7:0/2:0)] Heptanedioic acid_1 | 114365.00 | 95977.25 | 110605.50 | 101039.25 | 108873.00 | 111838.50 | 132608.33 | |
| [FA (7:0/2:0)] Heptanedioic acid_2 | 258190.25 | 157352.00 | 162480.75 | 177737.25 | 150444.25 | 144113.00 | 218810.67 | |
| FA (8:0) octanoic acid | 612341.75 | 376259.25 | 378634.75 | 444459.25 | 366291.00 | 322023.75 | 507047.00 | |
| FA (8:0) octanoic acid_1 | 1427644.25 | 437423.75 | 356413.50 | 345040.25 | 325921.75 | 346226.75 | 452258.67 | |
| FA (8:0) octanoic acid_2 | 438266.00 | 224059.50 | 214514.75 | 264280.00 | 218722.75 | 229855.75 | 299062.00 | |
| FA (8:1) octenal | 2702050.75 | 1115122.50 | 818070.75 | 1077655.25 | 798993.50 | 830574.75 | 3298865.33 | |
| [FA dimethyl(13:0)] 2,5-dimethyl-2E-tridecenoic acid | 459437.00 | 193017.25 | 292091.00 | 198784.00 | 201232.75 | 354600.50 | 329211.67 | |
| FA dimethyl(20:3) | 1456509.75 | 720703.75 | 278453.75 | 197472.75 | 236312.50 | 224258.00 | 359016.67 | |
| FA hydroxy(10:0) | 143879.75 | 101622.25 | 130614.50 | 144128.25 | 128307.50 | 101313.50 | 172565.33 | |
| [FA hydroxy(11:2/11:2)] 2R,9R-dihydroxy-3S,4S,7S,8S-diepoxy-... | 383633.25 | 247556.00 | 312818.75 | 375059.25 | 253509.00 | 268714.75 | 385256.33 | |
| [FA hydroxy(11:2/11:2)] 2R,9R-dihydroxy-3S,4S,7S,8S-diepoxy-... | 150801.50 | 77967.00 | 74350.00 | 94123.50 | 69372.00 | 72396.50 | 105424.67 | |
| FA hydroxy(15:0) | 334007.00 | 177648.00 | 160740.25 | 213200.50 | 158736.50 | 161052.25 | 236320.00 | |
| FA hydroxy(16:0)] hexadecanoic acid | 1027022.75 | 540746.00 | 518141.50 | 555232.50 | 491583.00 | 503156.25 | 714354.67 | |
| FA hydroxy(16:0)] hexadecanoic acid_1 | 2266017.25 | 551646.50 | 966364.25 | 889809.25 | 706607.25 | 963361.25 | 1056005.33 | |
| FA hydroxy(18:0) | 1635195.00 | 344342.75 | 351183.50 | 488685.25 | 378063.50 | 382584.00 | 608957.33 | |
| FA hydroxy(18:0)_1 | 6564131.00 | 1490840.25 | 958205.00 | 1952608.25 | 1480806.50 | 1497964.50 | 1954593.00 | |
| FA hydroxy(18:2) | 827618.50 | 265717.25 | 257297.25 | 331060.50 | 256869.75 | 276978.50 | 415566.33 | |
| FA hydroxy(20:2) | 5485594.75 | 1433466.00 | 697242.50 | 1059993.75 | 869838.25 | 779704.50 | 1167818.67 | |
| FA hydroxy(4:0) N-(3S-hydroxy-butanoyl)-homoserine lactone | 346980.75 | 913731.25 | 1384203.00 | 562163.00 | 1788247.75 | 1190964.00 | 1533187.33 | |
| FA hydroxy(6:0) | 344441.25 | 710373.75 | 351799.50 | 327583.25 | 366551.50 | 277760.50 | 332829.67 | |
| FA hydroxy(6:0)_2 | 167716.75 | 513083.25 | 538546.50 | 610869.00 | 455917.25 | 315718.25 | 784077.00 | |
| FA hydroxy(6:0)_3 | 1061624.25 | 3814811.00 | 3053861.00 | 3500691.75 | 2995163.25 | 2552544.75 | 3907881.67 | |
| FA hydroxy(8:0) hydroxy-octanoic acid | 291928.25 | 116365.75 | 233842.75 | 205180.00 | 171939.00 | 110788.75 | 183020.67 | |
| FA hydroxy(8:0) hydroxy-octanoic acid_2 | 116676.00 | 61711.00 | 74594.25 | 73375.25 | 66716.75 | 70002.00 | 152517.33 | |
| FA hydroxy(9:0) hydroxy-nonanoic acid | 224521.75 | 175399.25 | 219539.50 | 191520.50 | 149623.00 | 154286.50 | 156006.00 | |
| FA methyl(12:0) dodecanoic acid | 144509.75 | 85994.50 | 87933.25 | 100987.75 | 80919.75 | 101170.75 | 114023.00 | |
| FA methyl(12:0) dodecanoic acid_1 | 1275834.50 | 260185.75 | 250309.00 | 303635.75 | 215512.50 | 320235.75 | 425243.33 | |
| FA methyl(12:0) dodecanoic acid_2 | 1939675.50 | 1021657.25 | 992821.50 | 1121563.50 | 964527.75 | 1003638.25 | 1379126.33 | |
| FA methyl(14:0) | 5383328.00 | 2946752.75 | 2857147.50 | 3128551.00 | 2783748.25 | 2706595.50 | 3907101.67 | |
| FA methyl(14:0)_1 | 64082785.00 | 11628391.25 | 8007365.00 | 8455458.00 | 4894617.00 | 6555156.00 | 11415091.00 | |
| FA methyl(14:0) dodecanedioic acid | 274079.50 | 134052.00 | 129564.50 | 173738.50 | 129983.25 | 180362.75 | 279888.33 | |
| FA methyl(16:0)] tetradecanedioic acid | 437282.00 | 307918.50 | 379025.67 | 318745.00 | 306229.25 | 300980.25 | 399357.00 | |
| FA methyl(16:1) | 1061041.75 | 407702.00 | 608263.25 | 425822.00 | 414212.50 | 685410.50 | 674655.33 | |
| FA methyl(18:0) | 89483967.25 | 34896429.00 | 8969582.25 | 3622891.50 | 7518946.75 | 19084844.50 | 17312031.33 | |
| FA methyl(6:0) | 190114.50 | 126212.25 | 125193.50 | 145327.75 | 123281.25 | 104286.25 | 157399.00 | |
| FA methyl(6:0)_1 | 456589.50 | 215441.75 | 171406.50 | 205735.50 | 169085.50 | 167907.50 | 237527.67 | |
| FA methyl(6:0)_2 | 170061.00 | 104548.25 | 95209.75 | 99147.50 | 94687.00 | 77217.50 | 151873.00 | |
| FA methyl(8:0) | 484183.00 | 274260.00 | 294434.75 | 327578.00 | 285182.75 | 282792.00 | 392198.00 | |
| FA methyl(8:0)_1 | 1597524.50 | 510996.00 | 406756.50 | 457102.25 | 373212.50 | 394076.50 | 897793.67 | |
| FA methyl(8:0)_2 | 659132.75 | 362213.00 | 343865.25 | 385674.00 | 368479.75 | 348567.00 | 482738.00 | |
| FA oxo(12:1) | 106549.00 | 58733.75 | 79761.75 | 67360.25 | 60375.50 | 58359.25 | 77965.00 | |
| FA oxo(12:1)_1 | 618999.75 | 208664.50 | 174726.25 | 138592.00 | 123892.75 | 153576.25 | 212517.33 | |
| FA oxo(16:0) | 827431.50 | 449122.75 | 448717.50 | 506003.25 | 431344.50 | 414830.75 | 603054.33 | |
| FA oxo(16:0)_1 | 1331545.00 | 410626.25 | 469781.50 | 475097.50 | 383231.75 | 509223.25 | 809880.67 | |
| FA oxo(18:0) | 940027.50 | 529016.25 | 521111.75 | 518688.75 | 522557.75 | 526789.50 | 663031.67 | |
| FA oxo(19:0) | 1630058.75 | 242902.00 | 271715.25 | 346501.00 | 276215.50 | 300009.50 | 400019.00 | |
| [FA oxo(8:0)] 3-oxo-octanoic acid | 735335.00 | 513484.50 | 631760.50 | 698435.00 | 546644.00 | 521291.00 | 728229.00 | |
| [FA oxo(8:0)] 3-oxo-octanoic acid_2 | 229419.75 | 145275.25 | 130241.75 | 153657.75 | 129503.75 | 132232.50 | 197348.00 | |
| [FA oxo(8:0)] 3-oxo-octanoic acid_3 | 242796.00 | 163347.75 | 206521.00 | 174775.00 | 168628.50 | 151333.00 | 272024.33 | |
| [FA trihydroxy(4:0)] 2,3,4-trihydroxy-butanoic acid | 580859.00 | 1640547.00 | 3426327.25 | 2024052.25 | 4477922.75 | 3842600.50 | 4135064.33 | |
| FMN | 189304.50 | 220686.75 | 321405.00 | 274842.75 | 217225.75 | 218466.00 | 339727.67 | |
| furaneol glucopyranoside | 54629.25 | 85319.00 | 57537.75 | 112616.50 | 244814.00 | 25177.33 | 140138.00 | |
| [Fv trihydroxy,methyl(9:1)] 8-Chloro-5,7,4^-trihydroxy-3-C-m... | 40635.00 | 282931.50 | 292337.25 | 276712.50 | 302111.00 | 254888.25 | 413847.67 | |
| Gamma-Glutamylglutamine | - | 56424.25 | 182375.75 | 48249.00 | 88429.50 | 108236.25 | 196752.33 | |
| gamma-Glutamyl-S-(1-propenyl)cysteine sulfoxide | 32490.00 | 81145.25 | 112910.25 | 109332.75 | 105008.25 | 118158.00 | 31220.00 | |
| gamma-Glutamyl-S-methylcysteine sulfoxide | 158561.75 | 302910.00 | 458834.50 | 136445.25 | 177907.00 | 215736.75 | 589718.33 | |
| Gamma-Glutamyltyrosine | 27633.00 | 37172.25 | 104764.50 | 31774.50 | 51214.50 | 68014.25 | 103529.00 | |
| Genipin | 366263.50 | 225373.50 | 244104.25 | 225307.00 | 192949.50 | 187707.25 | 294576.33 | |
| Gingerglycolipid B | - | 28886.00 | - | 33411.00 | - | - | 391847.67 | |
| Gingerglycolipid C | 300579.50 | 131557.25 | 96572.00 | 91701.50 | 82402.00 | 91272.25 | 114263.67 | |
| Glepidotin B | 396351.00 | 286311.25 | 457903.50 | 232709.50 | 415902.50 | 323938.50 | 453258.00 | |
| Gln-Leu-Lys-Tyr | 35914.50 | 109013.25 | 74984.75 | 114686.25 | 88658.50 | 72330.75 | 181382.67 | |
| Glu-Ala-Asp | 18138.25 | 68724.00 | 27233.50 | 115661.75 | 44484.50 | 14943.50 | 122144.33 | |
| Glu-Ala-Ile | - | 77494.50 | 190245.00 | 45181.25 | 91971.00 | 95468.50 | 116215.33 | |
| Glu-Ala-Val | 44772.25 | 158323.75 | 457266.50 | 114292.75 | 230074.50 | 268037.25 | 299334.33 | |
| Glu-Asp-Met | 31578.00 | 82392.50 | 146762.50 | 51937.25 | 108063.50 | 148895.50 | 208090.33 | |
| Glu-Asp-Phe | 334177.00 | 65402.00 | 129644.75 | 124201.00 | 119865.75 | 122700.50 | 149063.00 | |
| Glu-Glu | - | 98029.25 | 340768.50 | - | 233066.25 | 248396.50 | 262889.67 | |
| Glu-Glu-Glu | 4504572.75 | 3442664.75 | 1520747.00 | 3387883.25 | 1606940.75 | 1600557.00 | 3413374.00 | |
| Glu-Gly-Phe | - | 74212.25 | 141564.75 | 42613.00 | 86714.25 | 73690.25 | 117915.00 | |
| Glu-His-Thr | 194254.25 | 755880.25 | 466853.50 | 643265.00 | 437380.25 | 545927.50 | 837964.00 | |
| Glu-Ile-Ile | 528811.25 | 627735.25 | 770514.75 | 411108.25 | 739726.25 | 713396.00 | 965633.00 | |
| Glu-Ile-Ser | 31561.75 | 58520.00 | 134434.00 | 51770.25 | 75325.75 | 92510.75 | 109262.33 | |
| Glu-Ile-Val | 50793.75 | 75317.25 | 182791.75 | 57640.25 | 98264.25 | 116912.50 | 125978.67 | |
| Glu-Ile-Val_1 | 204498.50 | 110740.50 | 70971.75 | 97831.25 | 75754.75 | 94708.50 | 105710.67 | |
| Glu-Met | 98700.50 | 167968.00 | 277465.25 | 158481.50 | 215568.50 | 222201.75 | 252894.33 | |
| Glu-Met-Met-Met | 49498.00 | 176297.75 | 63082.00 | 108104.25 | 71494.00 | - | 171082.33 | |
| Glu-Met-Val | 74060.25 | 181852.00 | 128451.50 | 121953.25 | 128426.25 | 132176.75 | 170782.00 | |
| Glu-Ser-Val | 38006.75 | 35482.25 | 81510.00 | 31514.25 | 45183.75 | 79081.25 | 86583.33 | |
| Glu-Ser-Val_2 | - | 39745.00 | 106148.75 | 58386.67 | 72374.00 | 77434.25 | 95585.33 | |
| Glu-Thr | - | 66102.50 | 128284.00 | 47903.00 | 99356.50 | 173041.50 | 149106.67 | |
| Glu-Thr-Thr | 72501.50 | 828806.25 | 414940.25 | 681318.75 | 1180150.50 | 595983.50 | 1063460.33 | |
| Glycerol | 187103.50 | 141480.00 | 181721.25 | 232860.75 | 143558.75 | 185940.00 | 346659.33 | |
| Glycerol triundecanoate | 2058069.00 | 647539.00 | 368356.00 | 252924.75 | 211138.00 | - | 414652.33 | |
| Glycerophosphoglycerol | - | 44576.00 | 53723.50 | 116566.25 | 53836.00 | 54946.50 | 340539.67 | |
| Grayanotoxin I | 1107644.75 | 491208.50 | 403765.00 | 420334.75 | 286014.00 | 450771.50 | 510484.00 | |
| Guanosine | 484984.50 | 702963.75 | 615223.50 | 760558.00 | 502198.25 | 300192.00 | 788007.00 | |
| Heliamine | 127225.00 | 54227.00 | 72204.50 | 68128.50 | 41667.50 | 81879.25 | 88676.00 | |
| Herbacetin 7-methyl ether 3-(2^^-(E)-feruloylglucoside) | - | 653059.00 | 1330579.00 | 426759.25 | 931988.75 | 918887.25 | - | |
| Hexahydro-2^,4-dimethylspiro[1,3-dithiolo[4,5-c]furan-2,3^(2... | 168822.00 | - | 176294.50 | 159336.75 | 140763.50 | 295469.50 | - | |
| Hexanoic acid | 1377339.00 | 1014629.25 | 1142521.00 | 1374323.75 | 1104346.00 | 964462.00 | 1413449.33 | |
| Hexanoic acid_1 | 251833.00 | 130370.50 | 121726.75 | 147596.75 | 122523.00 | 124342.25 | 172024.67 | |
| Hexanoic acid_2 | 1015060.50 | 459950.00 | 418654.75 | 436772.50 | 405395.50 | 404217.50 | 633306.00 | |
| His-Leu-Lys-Phe | 536102.25 | 143245.50 | 123953.50 | 159573.00 | 105873.00 | 140818.00 | 150065.00 | |
| His-Lys-Phe-Val | 2696405.50 | 672334.75 | 698706.00 | 894935.00 | 558938.00 | 749251.75 | 858874.33 | |
| His-Met-Thr-Trp | - | 40412.00 | 80808.25 | 37423.25 | 96082.50 | 73585.75 | 107515.00 | |
| homocapsaicin | 2945526.25 | 1210770.00 | 594156.25 | 603516.50 | 494317.75 | 395265.50 | 1124402.67 | |
| Homocysteinesulfinicacid | - | - | 167348.50 | - | 95466.50 | 157031.50 | 178720.33 | |
| Homophytanicacid | 13199179.75 | 8648390.75 | 4425999.25 | 1473968.00 | 1699414.50 | 10839406.50 | 5853349.67 | |
| Hydantoin | 217344.00 | 122029.25 | 118616.75 | 135283.25 | 115111.00 | 108324.00 | 152790.33 | |
| Hydantoin-5-propionate | 291953.75 | 712343.75 | 518460.50 | 717009.00 | 389604.75 | 565866.00 | 723276.33 | |
| Hydantoin-5-propionate_2 | 24441.50 | 55040.50 | 34224.50 | 92563.75 | 71230.00 | 49964.50 | 66343.33 | |
| Hydroxymethylphosphonate | 391200.75 | 819094.00 | 1468194.75 | 1506953.00 | 977246.25 | 995005.75 | 3351900.00 | |
| Hydroxypyruvate | 2503812.75 | 8990717.75 | 2307436.75 | 2029253.50 | 9875649.25 | 1589503.75 | 6536227.00 | |
| Ikarisoside A | 141072.00 | 124877.25 | 113824.50 | 140214.25 | 92017.00 | 78444.25 | 148385.67 | |
| Ile-Ala-Ile | 648172.50 | 368792.00 | 264911.50 | 332816.25 | 220485.00 | 340374.75 | 394825.33 | |
| Ile-Ala-Ser | 538193.50 | 349606.75 | 370241.75 | 532407.50 | 395973.50 | 320364.00 | 385080.00 | |
| Ile-Ala-Ser_2 | 1438438.25 | 812699.00 | 746454.25 | 901374.25 | 737049.00 | 722896.50 | 1179831.00 | |
| Ile-Ala-Thr | 162082.00 | 151553.25 | 138048.25 | 274659.25 | 185898.25 | 217926.25 | 249181.67 | |
| Ile-Gly-Phe | - | - | 65107.00 | - | 45755.25 | 137119.75 | 58561.67 | |
| Ile-Gly-Val | 1011613.25 | 603712.50 | 573726.25 | 615261.75 | 598013.25 | 606695.50 | 758390.33 | |
| Ile-Gly-Val_2 | 606831.25 | 299893.25 | 246778.00 | 365014.50 | 213834.00 | 295839.50 | 434480.33 | |
| Ile-Ile-Ser | 693688.50 | 422888.25 | 310679.75 | 395776.25 | 332931.25 | 502455.25 | 554272.00 | |
| Ile-Met-Met | - | 116989.75 | 139602.75 | 46788.00 | 108948.00 | 117005.00 | 145654.00 | |
| Ile-Met-Ser | 1453880.50 | 918276.25 | 709615.00 | 720362.00 | 636510.00 | 1407850.75 | 1421749.33 | |
| Ile-Phe | 683613.75 | 386596.25 | 187215.25 | 396348.25 | 246494.75 | 285592.75 | 431685.00 | |
| Ile-Pro-Ser | 177062.75 | 401613.25 | 387450.25 | 289083.50 | 147836.00 | 282505.00 | 270201.33 | |
| Ile-Ser-Ser | 365011.50 | 616862.75 | 239349.50 | 552295.75 | 332820.75 | 552011.00 | 682447.67 | |
| Ile-Ser-Thr | 90523.25 | 131992.00 | 151907.25 | 94445.50 | 111443.25 | 198467.50 | 202292.33 | |
| Ile-Ser-Val | 481445.75 | 588848.75 | 1004638.25 | 650133.50 | 551956.75 | 983370.75 | 1291324.67 | |
| Ile-Tyr-Val | 205456.75 | 108448.50 | 95630.67 | 115797.75 | 94197.25 | 104574.00 | 137573.00 | |
| Ile-Val-Pro-Ser | 401859.00 | 183271.25 | 53007.00 | 264016.25 | 97837.75 | 122381.00 | 178270.00 | |
| Imidazol-5-yl-pyruvate | 1652856.75 | 1056275.25 | 687829.25 | 1748198.75 | 1111870.25 | 896255.00 | 1348693.00 | |
| Imidazole-4-acetaldehyde | 472556.00 | 244189.50 | 234784.75 | 277691.50 | 235143.50 | 232748.25 | 337146.00 | |
| Imidazole-4-methanol | 116759.00 | 70424.50 | 69859.50 | 78741.50 | 70653.00 | 71094.75 | 92338.00 | |
| Imidazole-4-methanol_2 | 226999.50 | 117864.75 | 120041.25 | 139573.00 | 118829.50 | 110901.50 | 148719.33 | |
| Iminoaspartate | 43548.00 | 74180.75 | 147655.25 | 24851.50 | 33696.00 | 86269.25 | 105400.33 | |
| Indan-1-ol | 242670.75 | 444840.00 | 301571.75 | 91193.00 | 98394.25 | 303220.75 | 769650.33 | |
| Indole-3-ethanol | 177795.00 | 108269.50 | 97261.50 | 114399.25 | 115338.50 | 85014.00 | 137073.67 | |
| Indole-3-ethanol_2 | 1560365.00 | 894385.50 | 790098.50 | 937562.25 | 849217.75 | 820055.75 | 1174452.33 | |
| Isoferulic acid 3-sulfate | 3206039.00 | 2445399.50 | 2095301.25 | 3096448.25 | 2270569.75 | 2673879.50 | - | |
| Isovalerylglutamicacid | - | 106295.00 | 163792.00 | 75883.00 | 230319.75 | 180936.00 | 216118.33 | |
| Isradipine | - | 59458.25 | 81716.25 | 21941.00 | 31306.00 | 92016.75 | 1043500.33 | |
| Khellin | 364143.00 | 103262.00 | - | - | - | - | 77194.33 | |
| L-2-Hydroxyphytanate | 2135886.50 | 1143377.75 | 558583.25 | 718625.25 | 669319.75 | 584973.25 | 978702.67 | |
| Lactucin | 151842.00 | 84836.00 | 85050.75 | 102635.25 | 90884.50 | 78510.00 | 114195.67 | |
| L-Alanine | 405755.75 | 279527.00 | 279184.25 | 341338.25 | 312300.00 | 304063.75 | 373158.00 | |
| L-alpha-glutamyl-L-hydroxyproline | - | - | - | 92067.00 | 315617.50 | 382540.75 | 92588.00 | |
| Lancerin | 68158.75 | 115199.25 | 30934.50 | 99326.00 | 47837.75 | - | 102886.33 | |
| L-Arabitol | 468000.25 | 256870.75 | 285866.25 | 181419.25 | 90144.25 | 76772.25 | 285463.67 | |
| L-Aspartate 4-semialdehyde | 2958876.50 | 6220942.50 | 1756584.75 | 3658051.75 | 2529811.50 | 1790180.50 | 4153508.00 | |
| L-Aspartate 4-semialdehyde_2 | 1605239.50 | 3229577.75 | 4669170.75 | 1551206.00 | 3685760.75 | 4170080.50 | 4716572.67 | |
| Lathodoratin | 215291.00 | 186666.50 | 194638.50 | 203664.00 | 169397.50 | 165401.50 | 240790.00 | |
| Latia luciferin | 860287.75 | 467718.75 | 439955.00 | 502041.00 | 470887.75 | 446835.00 | 630175.67 | |
| L-beta-aspartyl-L-alanine | 60875.50 | 274627.75 | 403229.75 | 569497.25 | 230026.75 | 339447.25 | 294897.00 | |
| L-beta-aspartyl-L-asparticacid | - | 19755.50 | 43240.75 | 12842.75 | 31574.25 | 37575.25 | 108900.00 | |
| L-beta-aspartyl-L-glutamicacid | - | - | 87098.33 | - | - | 116035.00 | 623265.67 | |
| L-beta-aspartyl-L-leucine | 320736.50 | 476404.75 | 585290.50 | 529266.00 | 679195.00 | 609850.75 | 723585.67 | |
| L-beta-aspartyl-L-leucine_2 | 263356.00 | 266286.00 | 203338.50 | 469976.50 | 183805.75 | 369286.25 | 317167.33 | |
| L-Cysteate | - | - | 46134.00 | - | 67336.25 | 251910.50 | 68846.00 | |
| Lepidine E | 128712.00 | 171181.75 | 114590.75 | 212112.00 | 120469.25 | 73038.50 | 177714.00 | |
| L-erythro-4-Hydroxyglutamate | 36871.75 | 62001.50 | 16842.00 | 129354.25 | 24474.50 | 15452.00 | 63650.33 | |
| L-erythro-4-Hydroxyglutamate_2 | 31946.50 | 78398.50 | 107852.25 | 144170.00 | 101854.75 | 80368.25 | 122351.67 | |
| Leucyl-leucyl-norleucine | 1011252.25 | 496025.75 | 148491.67 | 992410.50 | 390991.50 | 217646.75 | 532502.67 | |
| L-gamma-glutamyl-L-isoleucine | 75899.33 | 162456.00 | 458398.75 | 144393.00 | 216962.75 | 297192.25 | 283605.00 | |
| L-Glutamine | 310546.25 | 861738.75 | 342685.25 | 1461422.75 | 1026074.00 | 259504.25 | 941463.33 | |
| L-Glutamine_2 | 172510.00 | 686894.00 | 536595.75 | 1614166.50 | 1690663.50 | 902584.50 | 1359739.33 | |
| L-Hypoglycin | 261172.25 | 144557.25 | 157152.25 | 157398.75 | 138475.00 | 125657.00 | 185297.33 | |
| L-Hypoglycin_1 | 188033.75 | 100806.75 | 114001.75 | 99786.00 | 78816.00 | 95162.50 | 147453.33 | |
| Limonoate D-ring-lactone | - | - | - | - | - | - | 114416.00 | |
| Linoleate | 9794076.75 | 4300794.25 | 8161960.75 | 4968848.00 | 4774491.50 | 10168525.25 | 7729030.67 | |
| L-isoleucyl-L-proline | 1210324.00 | 1037602.25 | 983828.50 | 1095318.50 | 989173.75 | 1141835.75 | 1232892.00 | |
| L-Leucine | 36575961.00 | 51431374.50 | 22867213.25 | 51371349.00 | 35502996.50 | 23471322.25 | 46761283.33 | |
| L-Octanoylcarnitine | 595150.25 | 169043.00 | 252364.00 | 391134.75 | 277274.00 | 419336.25 | 436297.00 | |
| L-Rhamnofuranose | 35661.00 | 65025.25 | 65392.75 | 38488.50 | 27663.50 | 66427.25 | 178315.00 | |
| L-Rhamnofuranose_2 | 48429.75 | 64841.75 | 112504.25 | 92007.50 | 168374.25 | 151234.75 | 160847.33 | |
| L-Rhamnofuranose_3 | 54731.00 | 124979.75 | 140625.25 | 44036.25 | 44883.25 | 140603.75 | 451589.00 | |
| L-seryl-AMP | - | 39994.75 | 74294.25 | 30016.00 | 32492.50 | 55611.50 | 76244.67 | |
| L-Threonine | 242996.75 | 160426.25 | 71941.25 | 201411.25 | 159282.50 | 98388.50 | 155309.00 | |
| L-Threonine_1 | 274526.25 | 82137.50 | 67193.75 | 140517.00 | 88013.00 | 74116.00 | 108148.00 | |
| L-Threonine_2 | 61543.25 | 124597.00 | 120748.25 | 168667.00 | 178766.25 | 148327.50 | 171431.67 | |
| L-Tryptophan | 858983.00 | 1058456.00 | 1606084.25 | 924214.25 | 1545657.00 | 1643947.00 | 1734966.33 | |
| L-Tyrosine methyl ester | 299217.75 | 163997.00 | 146269.00 | 167867.75 | 175513.50 | 144663.25 | 250045.00 | |
| Lupinisoflavone G | 64984.00 | 265951.00 | 484943.75 | - | 336499.75 | 334409.50 | 412380.33 | |
| Luteorin 7-(6^^^^-acetylallosyl-(1->3)-glucosyl-(1->2)... | 351276.75 | 226534.25 | 219014.25 | 259576.75 | 231013.25 | 214744.75 | 276620.33 | |
| Lys-Lys-Lys-Trp | 17973.00 | 40046.50 | 84321.75 | 47792.75 | 108134.75 | 96018.75 | 100327.33 | |
| Lys-Lys-Trp-Pro | 6668183.00 | 1749058.25 | 1018121.00 | 1510112.25 | 1132425.50 | 1269412.25 | 1686850.00 | |
| Lys-Lys-Tyr-Tyr | 836369.25 | 309843.50 | 202098.25 | 204917.75 | 153558.50 | 165762.25 | 307751.67 | |
| LysoPA(16:0) | 696019.25 | 337350.50 | 198042.00 | 166842.00 | 132889.00 | 159212.00 | 242338.00 | |
| LysoPE(0:0/14:0) | 643693.00 | 168841.50 | 175871.00 | 222699.25 | 168153.50 | 196677.75 | 232050.67 | |
| LysoPE(16:0) | 3109021.25 | 801768.75 | 578787.50 | 694163.00 | 468055.25 | 624485.75 | 718275.67 | |
| LysoPE(16:1) | 588108.25 | 157470.25 | 154241.25 | 138466.25 | 120388.75 | 137905.75 | 165601.67 | |
| Lys-Phe-Thr-Thr | 610638.00 | 225244.00 | 194054.67 | 199301.75 | 145967.25 | 184015.75 | 311301.00 | |
| Magnoshinin | 2489275.75 | 10217970.00 | 6641889.25 | 1043314.00 | 949606.75 | 6788867.00 | 16761814.00 | |
| Maleamate | 38775.75 | 65241.00 | 139303.75 | 47740.00 | 59740.50 | 74929.25 | 86501.33 | |
| Maleamate_1 | 176368.75 | 100218.00 | 93077.75 | 100935.50 | 99712.00 | 92644.50 | 124772.00 | |
| Maleimide | 981449.00 | 678303.25 | 489408.25 | 962329.25 | 689006.75 | 610799.00 | 797617.00 | |
| Maltotetraose | 92989.50 | 57648.50 | 282093.50 | 64064.25 | 136462.75 | 94034.25 | 141407.00 | |
| Maltotriose | 51526.00 | 35924.00 | 138314.25 | 54961.00 | 111923.00 | 59983.25 | 122427.00 | |
| melibionate | - | - | 61784.00 | 30304.50 | 47895.00 | 33137.75 | 156806.00 | |
| Melicopicine | 62737.75 | 419822.25 | 42739.00 | 128133.50 | 66961.00 | 41963.00 | 161055.67 | |
| mercapto-2-propanol | 722566.25 | 390740.50 | 376731.50 | 460179.25 | 392896.25 | 354457.75 | 529783.33 | |
| mercapto-2-propanol_1 | 791026.75 | 443766.75 | 402943.50 | 460761.75 | 414312.00 | 426134.00 | 555949.67 | |
| mercapto-2-propanol_2 | 3451058.00 | 1714819.00 | 1108888.00 | 1281485.00 | 1152692.50 | 1274336.25 | 1522426.33 | |
| mercapto-2-propanol_3 | 1423351.50 | 328504.25 | 188630.00 | 183097.75 | 157827.75 | 183979.75 | 247944.67 | |
| Met-Asp-Pro | - | 12506.00 | 51530.25 | 15960.50 | 59088.50 | 101848.75 | 53125.67 | |
| Metazocine | 568808.00 | 297840.00 | 292074.75 | 342256.75 | 316686.75 | 274685.25 | 444794.33 | |
| Met-Gly | 34556.00 | 139808.25 | 416063.50 | 151232.25 | 349780.50 | 320458.50 | 315184.67 | |
| Methanesulfonic acid | 12322171.75 | 6936431.50 | 6696774.00 | 7682449.25 | 6703428.75 | 6572064.25 | 8850935.67 | |
| methiin | 235472.00 | 178935.50 | 238200.50 | 234661.00 | 226647.25 | 218796.50 | 314893.33 | |
| methiin_2 | - | 40202.00 | 24717.00 | 160658.75 | 51620.75 | - | 130901.33 | |
| methionol | 672841.25 | 199629.50 | 216524.25 | 209369.50 | 210551.75 | 189373.75 | 289692.67 | |
| Methocarbamol | 259987.50 | 114539.50 | 102478.75 | 106280.75 | 95138.50 | 106458.00 | 148792.33 | |
| methyl 8-[3,5-epidioxy-2-(3-hydroperoxy-1-pentenyl)-cyclopen... | 1279040.50 | 380500.50 | 322617.50 | 308486.75 | 238524.00 | 380660.00 | 486579.00 | |
| Methylimidazole acetaldehyde | 217457.75 | 145150.25 | 141138.75 | 157653.50 | 130506.75 | 118971.25 | 185399.33 | |
| Methylimidazole acetaldehyde_1 | 189358.50 | 96666.75 | 89757.25 | 110735.00 | 101859.75 | 95899.00 | 135235.67 | |
| Methylimidazoleacetic acid | 104818.25 | 53032.00 | 52977.00 | 66429.25 | 80722.50 | 81096.75 | 69522.33 | |
| methylmethanesulfonate | 256004.50 | 151198.00 | 149587.50 | 171070.75 | 143194.25 | 134524.50 | 206437.67 | |
| Methylthiomethyl 2-methylbutanethiolate | 51743.25 | 237756.50 | 36909.75 | 235538.75 | 64060.00 | 38765.75 | 119179.33 | |
| Met-Met-Met-Ser | 630264.25 | 2181204.50 | 524502.50 | 1956393.75 | 805932.25 | 149449.00 | 1823677.67 | |
| Met-Phe-Asp | 49936.25 | 79049.00 | 75246.50 | 70521.75 | 88448.75 | 89475.25 | 94069.00 | |
| Met-Phe-Trp | - | - | 530472.00 | - | 161745.50 | 1643427.75 | - | |
| Met-Ser-Ser | 277671.25 | 190856.50 | 124205.00 | 220246.50 | 173443.75 | 165764.50 | 228603.33 | |
| Met-Trp-Asp | 1096717.50 | 1917799.25 | 1930214.50 | 374092.75 | 742369.33 | 2814730.25 | 9092378.33 | |
| MG(0:0/16:0/0:0) | 765694.50 | 281051.75 | 420203.75 | 244219.50 | 238307.75 | 500710.00 | 435771.33 | |
| MG(0:0/22:1(13Z)/0:0) | 2411417.75 | 516751.25 | 218361.33 | - | - | - | 243913.00 | |
| MG(0:0/24:1(15Z)/0:0) | 2801164.50 | 713540.00 | 331459.75 | - | - | - | 324819.00 | |
| MG(18:0/0:0/0:0) | 1208774.25 | 307200.50 | 322103.00 | 268929.25 | 213005.50 | 291538.25 | 356351.00 | |
| Miraxanthin-I | 204684.50 | 290751.00 | 232564.67 | 426559.25 | 222783.25 | 318086.50 | - | |
| Myxalamid D | 1070763.50 | 462019.25 | 331616.50 | 314276.50 | 271912.25 | 299519.00 | 494992.67 | |
| N2-Acetyl-L-aminoadipate | 151562.00 | 206800.75 | 342879.25 | 197475.75 | 432694.75 | 402884.25 | 319202.33 | |
| N2-(D-1-Carboxyethyl)-L-lysine | - | 34366.25 | 78047.25 | 99777.75 | 97438.75 | 54990.25 | 150000.33 | |
| N2-Succinyl-L-ornithine | 35074.25 | 80798.00 | 115001.00 | 61538.75 | 69307.50 | 100404.25 | 120889.33 | |
| N2-Succinyl-L-ornithine_2 | 51756.00 | 97932.25 | 115001.00 | 100359.50 | 50560.00 | 63488.50 | 326546.00 | |
| N3-(4-methoxyfumaroyl)-L-2,3-diaminopropanoate | 190876.75 | 177688.75 | 150363.50 | 161316.25 | 131945.75 | 178850.25 | 218284.33 | |
| N4-(Acetyl-beta-D-glucosaminyl)asparagine | 111632.75 | 748567.50 | 918231.00 | 148972.50 | 528184.00 | 871450.00 | 920129.67 | |
| N4-Acetylcytidine | 51467.50 | 136638.25 | 567038.50 | 50329.50 | 70545.50 | 396634.50 | 299064.00 | |
| Nabam | 24750.00 | 149641.25 | 120474.50 | 176612.00 | 169133.75 | 136962.75 | 485121.00 | |
| N-Acetyl-D-glucosaminate | - | 18429.00 | 90810.25 | 23365.00 | 77689.25 | 114852.75 | 107363.33 | |
| N-Acetyl-D-glucosamine 6-phosphate | - | 104486.00 | 103325.00 | 96842.33 | - | - | 214973.67 | |
| N-acetyl -D- glucosaminitol | 496503.50 | 1328274.25 | 1697830.25 | 2915442.00 | 1978220.75 | 1301601.75 | 2312065.33 | |
| N-Acetylgalactosaminate | 57620.75 | 128426.25 | - | 89806.25 | 39218.00 | - | 87009.00 | |
| N-Acetylgalactosaminate_2 | - | 28988.50 | 30809.00 | 45622.25 | 30861.75 | 27681.25 | 150622.67 | |
| N-Acetylglutamine | 58720511.25 | 66987826.00 | 26619621.25 | 63041101.75 | 33766236.50 | 49814472.25 | 62357094.67 | |
| N-Acetyl-L-glutamate | 1352746.25 | 3025441.50 | 7336284.25 | 2896334.25 | 4883917.25 | 8760899.00 | 22451356.33 | |
| N-Acetyl-L-phenylalanine | 1259743.25 | 709608.75 | 259531.00 | 303337.00 | 487401.00 | 492007.00 | 354707.33 | |
| N-Acetylmethionine | 629231.50 | 2143572.75 | 254965.75 | 1257366.00 | 2890657.00 | 575846.75 | 1383482.00 | |
| N-Acetylmuramate | - | 55011.00 | 58624.00 | 136232.00 | 104926.00 | 56685.25 | 90490.00 | |
| N-Acetylneuraminate | - | - | 58109.25 | - | - | 90953.00 | 79508.50 | |
| N-Acetylornithine | 94312.75 | 211570.25 | 411058.75 | 242350.25 | 524616.25 | 837038.25 | 755890.00 | |
| NADH | 25094.00 | 159054.00 | 64530.00 | 180067.00 | 98308.75 | 56656.00 | 188416.33 | |
| N-arachidonoyl alanine | 1711409.25 | 776111.75 | 637648.00 | 610625.50 | 509825.25 | 632266.25 | 872015.67 | |
| Narceine | 139507.25 | 128692.50 | - | 101435.50 | 32419.50 | - | 84576.67 | |
| N-Carbamoyl-L-aspartate | 19834.00 | 200297.50 | 27443.25 | 59594.25 | 67372.00 | 126106.50 | 154330.33 | |
| N-Carbamyl-L-glutamate | 28985.50 | 140627.25 | 47081.00 | 116215.50 | 84843.25 | 34912.75 | 85709.67 | |
| N-D-Glucosylarylamine | 425429.50 | 243716.75 | 260042.00 | 283836.75 | 231501.25 | 228027.25 | 307302.33 | |
| N-Formyl-L-methionine | 1907457.50 | 2601703.00 | 1078486.75 | 4323016.25 | 2805405.75 | 875512.00 | 3335497.00 | |
| Nicotianamine | 29533.75 | 78001.00 | 257599.00 | 63978.00 | 132508.25 | 218805.25 | 176990.67 | |
| N-linoleoyl taurine | 108369.25 | 98422.50 | 70229.25 | 90911.75 | 79245.50 | 76742.50 | 87952.67 | |
| N-Methyl-2-pyrrolidinone | 141016.00 | 254900.25 | 79122.25 | 157414.00 | 113250.75 | 86183.00 | 184628.00 | |
| Nnal-N-oxide | 307361.50 | 152142.50 | 92687.00 | - | 42006.00 | 41580.00 | 98647.33 | |
| N-Nitrosoproline | 1790623.00 | 2256837.75 | 240929.50 | 1618403.75 | 497761.50 | 85008.75 | 1299167.00 | |
| N-stearoyl GABA | 1138289.25 | 408839.00 | 353552.50 | 328434.25 | 221073.25 | 326295.75 | 410266.33 | |
| nt find | 1978230.25 | 1183996.75 | 832427.00 | 2001582.50 | 1235993.00 | 890596.25 | 1627973.00 | |
| N-Undecylbenzenesulfonic acid | 33269765.75 | 8345864.25 | 4729400.00 | 3461135.50 | 3206232.50 | 2393716.75 | 7456810.00 | |
| Octadecanal | 1219542.50 | 319475.25 | - | 542984.25 | 314720.50 | 166077.00 | 391804.00 | |
| Octadecanoic acid | 315980221.75 | 50633053.50 | 17249612.00 | 30922411.00 | 19048408.75 | 17425367.75 | 42264679.67 | |
| Octane-1,8-diol | 505461.00 | 276458.25 | 272602.75 | 311499.50 | 272509.25 | 237782.75 | 377503.33 | |
| Octane-1,8-diol_1 | 141005.00 | 67751.00 | 64829.00 | 66389.50 | 62539.00 | 60728.00 | 92139.00 | |
| octulose 8-phosphate | 34092.00 | 164732.25 | 280669.50 | 252379.00 | 142542.00 | 55081.75 | 241470.00 | |
| O-decanoyl-R-carnitine | 545418.50 | 293814.50 | 621543.00 | 508247.50 | 479166.50 | 767975.00 | 688376.67 | |
| O-Phospho-L-serine | 852141.75 | 1528818.75 | 709032.75 | 2741050.50 | 645622.00 | 729929.25 | 1898898.33 | |
| Ophthalmicacid | - | 54259.00 | 90484.25 | 64671.33 | 94158.50 | 113052.25 | 117456.00 | |
| Orotate | 196798.00 | 236279.50 | 55482.67 | 145484.00 | 137917.75 | 175849.25 | 269951.00 | |
| Orthophosphate | 1562393.50 | 1139693.75 | 1064602.75 | 1239390.50 | 1080079.50 | 1050129.50 | 1407036.00 | |
| Orthophosphate_2 | 1540076.50 | 11974004.00 | 9673319.75 | 16004008.00 | 9043807.00 | 7160451.50 | 14590828.00 | |
| Orthophosphate_3 | 41736565.50 | 27910257.00 | 28335518.75 | 29850380.75 | 26050897.00 | 25886930.50 | 45978730.00 | |
| Otonecine | 5354869.00 | 1460081.25 | 490626.25 | - | - | - | 618708.67 | |
| Oxalate | 101616.25 | 53246.25 | 75174.50 | 66556.75 | 65142.25 | 70489.75 | 573220.33 | |
| PA(17:0/0:0) | 325527.00 | 244782.25 | 227501.75 | 91532.75 | 99264.25 | 127544.00 | 215644.67 | |
| PA(35:0) | - | 69329.50 | 58367.25 | 97678.25 | 113765.75 | 84590.75 | 99889.00 | |
| Pantetheine | - | 126195.75 | 654831.00 | 55898.00 | 291194.50 | 496061.25 | 435986.33 | |
| parabanate | 377602.50 | 194423.00 | 195971.75 | 213624.00 | 186812.25 | 173502.50 | 234948.67 | |
| P-DPD | 32270.25 | 102696.00 | 60909.50 | 115827.75 | 82897.25 | 49956.50 | 164142.00 | |
| P-DPD_2 | 43333.00 | 78281.25 | 58342.25 | 81275.00 | 70450.50 | 52014.25 | 126967.33 | |
| PE(38:0) | 143021.25 | 74972.00 | 49486.33 | 80412.75 | 70988.75 | 64516.25 | - | |
| Pentanoate | 1140250.00 | 1849450.25 | 721262.75 | 808233.00 | 944744.50 | 965230.00 | 1201495.33 | |
| Pentanoate_1 | 2648923.50 | 1849450.25 | 1001627.25 | 808233.00 | 917997.25 | 1096299.25 | 836148.00 | |
| Pentanoate_2 | 60833279.00 | 46380846.50 | 36582709.00 | 36954800.50 | 29465140.75 | 32956530.75 | 41293116.67 | |
| PG(15:0/0:0) | 1132123.50 | 432162.00 | 1505997.50 | 690925.25 | 838409.50 | 1035467.50 | 1298465.00 | |
| [PG (16:0)] 1-hexadecanoyl-sn-glycero-3-phospho-(1^-sn-glyce... | 948446.00 | 409475.75 | 402603.00 | 628913.00 | 438908.75 | 362696.00 | 668549.33 | |
| PG(17:0) | 556664.75 | 673839.00 | 954120.00 | 774243.25 | 782521.75 | 629179.75 | 926156.00 | |
| PG(19:0) | 499984.00 | 401194.75 | 587893.75 | 809036.25 | 744313.50 | 733544.00 | 790030.67 | |
| PG(20:0/0:0) | 564038.33 | 569593.25 | 375555.50 | 1122561.75 | 706459.00 | 442019.50 | 842064.00 | |
| [PG (24:0)] | 1225512.00 | 747432.50 | - | 709283.50 | 216091.75 | - | 501004.67 | |
| PG(25:0) | 9773095.75 | 5967934.75 | 1253761.75 | 4328202.75 | 1808703.50 | 796212.50 | 3663638.67 | |
| PG(27:0) | 2427347.00 | 1313885.50 | 712220.75 | 1216603.00 | 902884.00 | 500901.75 | 1128976.00 | |
| [PG (28:0)] | 1392831.00 | 1374867.50 | 742225.00 | 1075847.25 | 604752.25 | 419504.75 | 1015296.67 | |
| PG(29:0) | 3506953.00 | 3978316.75 | 2086466.75 | 3703602.75 | 2043320.75 | 1352804.00 | 3292186.00 | |
| PG(30:0) | 30497313.75 | 37908313.50 | 27529791.25 | 20299169.25 | 16355806.75 | 13316617.50 | 29265262.67 | |
| PG(31:0) | 38988105.75 | 43257641.25 | 26284531.75 | 37403280.00 | 24418574.25 | 17850067.00 | 37018199.33 | |
| PG(31:1) | 798941.00 | 646108.50 | 402435.00 | 765219.50 | 424740.50 | 408616.25 | 627581.00 | |
| PG(32:0) | 125438578.50 | 143696100.25 | 140334689.00 | 81572503.00 | 85967480.75 | 97255054.25 | 141865050.33 | |
| PG(32:1) | 1230776.00 | 745000.25 | 386207.00 | 1141405.75 | 539945.00 | 390845.25 | 836490.33 | |
| PG(33:0) | 85591882.50 | 91698773.00 | 48639432.25 | 89736943.25 | 49199465.75 | 39223173.75 | 78423859.00 | |
| PG(33:1) | 4274682.00 | 2965148.25 | 1726215.25 | 3935731.50 | 1661987.25 | 1459213.25 | 3015150.67 | |
| PG(33:2) | 1877062.75 | 1017156.25 | 764912.75 | 1361867.00 | 839092.25 | 715049.75 | 1129288.33 | |
| PG(34:0) | 54890362.50 | 50239332.00 | 45439072.75 | 50553583.50 | 38255920.25 | 53878937.00 | 58623194.67 | |
| PG(35:0) | 50959763.50 | 48954003.00 | 23543655.75 | 57972132.50 | 27978481.50 | 24676132.50 | 43520744.00 | |
| PG(35:1) | 3309756.75 | 2433133.25 | 1355820.50 | 2953590.75 | 1343556.25 | 1103074.75 | 2085379.67 | |
| PGP(16:0/16:0) | 593259.50 | 280476.25 | 911449.75 | 288830.75 | 496699.25 | 802901.75 | 612614.67 | |
| Phaseollidin | - | - | - | - | - | - | 146123.67 | |
| Phe-Gly | - | - | 47519.33 | 54563.50 | 114565.00 | 67538.00 | 72723.33 | |
| Phenol | 251213.25 | 133509.75 | 123856.50 | 144325.75 | 124111.75 | 124699.75 | 177527.33 | |
| phenoxy radical VII | 925410.00 | 344800.50 | 327239.75 | 262518.00 | 127146.00 | 132940.25 | 325875.33 | |
| phenoxy radical VII_1 | 802643.50 | 261063.25 | 114484.00 | 76707.00 | 70779.50 | 54457.50 | 172554.00 | |
| Phenyllactate | 136239.00 | 209307.75 | 176455.25 | 158951.50 | 144592.00 | 173833.00 | 145674.67 | |
| Phenyllactate_2 | 1348668.00 | 3469172.00 | 4656968.25 | 5280605.25 | 3949595.25 | 4267315.75 | 5675979.00 | |
| Phenyllactate_3 | 136239.00 | 342296.25 | 143834.50 | 148979.50 | 125834.75 | 128800.00 | 250109.33 | |
| Phenylpropanoate | 182130.75 | 224009.50 | 219344.25 | 216310.00 | 165324.75 | 247633.00 | 572844.67 | |
| Phenylpropanoate_1 | 1355111.75 | 793678.00 | 828194.50 | 394438.50 | 386242.00 | 795107.25 | 1773742.67 | |
| Phenylpyruvate | 1361301.25 | 4166876.25 | 3793038.25 | 2988092.50 | 1371143.00 | 677800.00 | 3079867.00 | |
| Phe-Tyr | 707183.67 | 400498.75 | 333699.00 | 583703.75 | 470476.00 | 442402.50 | 581614.33 | |
| Phosphoenolpyruvate | - | 57883.75 | 30943.50 | 116406.50 | 83231.25 | 45705.00 | 89428.67 | |
| Phosphophosphinate | - | - | 165811.00 | - | - | 153654.00 | 57002.00 | |
| Phthalate | 221743.75 | 163047.00 | 212270.00 | 153083.75 | 159834.50 | 202254.75 | 419224.67 | |
| Phytuberin | 1546525.25 | 892487.50 | 836848.50 | 951197.50 | 847143.50 | 839519.50 | 1134023.67 | |
| Phytuberin_1 | 9633558.50 | 1913220.50 | 1725667.00 | 1337172.50 | 1425979.50 | 1308918.50 | 2573511.33 | |
| [PI(16:0)] 1-hexadecanoyl-sn-glycero-3-phospho-(1^-myo-inosi... | 892976.25 | 291430.75 | 214727.50 | 206971.25 | 142524.25 | 169448.50 | 287229.00 | |
| PI(34:3) | 155954.75 | 70221.00 | 30322.00 | 18990.00 | 24553.25 | - | 89136.33 | |
| (+)-pinoresinol | 562432.75 | 828358.25 | 1030121.50 | 298904.50 | 748077.75 | 836540.75 | 1087101.33 | |
| Polycarpine | 516693.00 | 710484.75 | 311555.75 | 903588.25 | 672263.75 | 429531.75 | 795928.67 | |
| Polystachin (flavone) | 57573.25 | 260808.75 | 59378.50 | 228370.00 | 87344.50 | 25331.33 | 141856.33 | |
| Pongamoside A | 19619.00 | 32805.25 | 18060.75 | 40892.33 | 50501.50 | 96836.25 | 219266.00 | |
| Precocene 2 | - | 278831.00 | 176054.25 | - | 93038.00 | 177183.50 | 383139.33 | |
| [PR] Ketomyxol/ 2^-Hydroxyflexixanthin | - | 53102.50 | 46971.33 | 96157.50 | 95559.75 | 57734.00 | 86263.00 | |
| Proclavaminic acid | 31528.50 | 32759.00 | 71731.25 | 60678.75 | 163456.50 | 228935.50 | 154064.67 | |
| Pro-His | 114877.75 | 51508.75 | 49816.75 | 79456.25 | 113714.00 | 130071.50 | 93232.00 | |
| Propyl 1-(propylsulfinyl)propyl disulfide | 12973177.50 | 3308346.25 | 1763447.00 | 1253757.50 | 1187570.75 | 1327368.25 | 1894247.67 | |
| PS(18:0) | 1177740.50 | 450068.50 | 304676.75 | 341337.75 | 204546.50 | 255719.25 | 411434.67 | |
| [PS(18:1)] 1-(9Z-octadecenoyl)-sn-glycero-3-phosphoserine | 967329.50 | 353546.50 | 243201.50 | 265522.50 | 190486.25 | 203830.50 | 406965.33 | |
| Psorospermin | - | 151825.00 | - | 124245.50 | 253757.75 | - | 141672.67 | |
| Pyrazinamide | 127460.25 | 67740.00 | 70242.50 | 79645.50 | 69898.75 | 72331.00 | 101398.00 | |
| Pyrazinamide_2 | 260717.00 | 149294.25 | 135383.75 | 161866.25 | 131468.00 | 127270.75 | 191318.00 | |
| Pyrazinemethanethiol | 269072.25 | 241472.00 | 125219.00 | 266605.50 | 165558.00 | 117422.00 | 457982.33 | |
| Pyrimidine nucleoside | 178157.00 | 278260.50 | 456590.75 | 213769.50 | 525784.25 | 471563.75 | 480512.33 | |
| Pyrophosphate | 242982.75 | 140576.00 | 138978.00 | 149921.25 | 144309.00 | 130404.00 | 182724.00 | |
| Pyrrole-2-carboxylate | 1467601.50 | 907104.50 | 1274855.25 | 1213512.75 | 1015610.00 | 979814.25 | 1272559.67 | |
| Pyrrole-2-carboxylate_2 | 83326.50 | 97007.75 | 144186.75 | 112877.25 | 121462.00 | 121840.50 | 181806.00 | |
| Pyrrole-2-carboxylate_3 | 318671.00 | 203630.00 | 232369.75 | 235344.25 | 194417.25 | 224816.75 | 266330.67 | |
| Pyruvate | 166398.00 | 214911.75 | 114964.25 | 140221.25 | 118806.75 | 97530.00 | 178121.00 | |
| Pyruvate_1 | 192622.75 | 90966.50 | 102199.25 | 106815.00 | 92732.75 | 95227.00 | 137325.00 | |
| Pyruvate_2 | 151854.00 | 400043.50 | 594750.75 | 202792.50 | 307419.00 | 322949.25 | 449181.67 | |
| (R)-2,3-Dihydroxy-3-methylbutanoate | 106432.00 | 367334.75 | 367889.00 | 424529.00 | 1480176.25 | 700780.25 | 820337.67 | |
| (R)-2,3-Dihydroxy-3-methylpentanoate | 90369.75 | 58805.75 | 1722097.25 | 96635.00 | 67179.25 | 1539050.25 | 888611.33 | |
| (R)-2-Hydroxyglutarate | 332986.25 | 1307257.50 | 4759729.75 | 2270488.50 | 7626189.75 | 5206135.00 | 18312463.33 | |
| (R)-3-Hydroxybutanoate | 64378.50 | 408567.25 | 216248.75 | 411511.25 | 392575.25 | 453191.50 | 419280.67 | |
| Reduced haloperidol | - | 15465.50 | 56122.00 | 18523.25 | 84119.75 | 151060.25 | 90017.00 | |
| Retinyl ester | 718420.50 | 300159.00 | 569092.00 | 347607.75 | 339989.50 | 737001.50 | 609431.67 | |
| Retronecine | 744534.50 | 507979.75 | 544943.25 | 709951.75 | 512913.00 | 476147.25 | 756022.33 | |
| Retronecine_2 | 303172.25 | 175635.25 | 161631.75 | 201051.75 | 163612.75 | 171823.25 | 231201.33 | |
| Rishitin | 3665703.25 | 1981824.25 | 1951912.75 | 2189370.75 | 1929103.75 | 1893637.00 | 2739033.67 | |
| Rishitin_1 | 1108790.75 | 399810.50 | 334935.50 | 283434.25 | 284411.50 | 280036.25 | 400935.33 | |
| (R,R)-Tartaric acid | 28414.25 | 46714.25 | 86724.50 | 61161.75 | 55842.25 | 77690.25 | 98524.00 | |
| (R,R)-Tartaric acid_1 | 928527.25 | 304246.33 | 124432.00 | 126951.00 | 112452.00 | 133706.00 | 162221.00 | |
| (S)-1-Pyrroline-5-carboxylate | 74478.50 | 69501.75 | 97196.25 | 95290.00 | 91906.00 | 107267.25 | 126979.33 | |
| (S)-1-Pyrroline-5-carboxylate_2 | 99005.50 | 97259.25 | 86077.25 | 148748.50 | 111224.25 | 143395.00 | 149920.33 | |
| (S)-2-Aceto-2-hydroxybutanoate | 473016.75 | 719524.00 | 510576.50 | 200117.75 | 168521.00 | 508424.25 | 1107698.33 | |
| (S)-2-Acetolactate | 258738.00 | 337905.25 | 543005.75 | 320518.25 | 494898.75 | 315044.75 | 471704.33 | |
| S-(3-oxo-3-carboxy-n-propyl)cysteine | - | 894061.75 | - | 1167808.25 | 1511248.75 | 209883.33 | 689280.67 | |
| (S)-AMPA | 1011932.00 | 2186366.75 | 2995047.50 | 3022836.25 | 2157169.00 | 4688957.75 | 2889566.67 | |
| S-Cysteinosuccinic acid | - | 58384.00 | 497643.50 | - | 101556.25 | 726053.00 | 3189262.00 | |
| Secobarbital | 2084180.00 | 1203719.75 | 1064712.75 | 1256605.00 | 1100879.25 | 1071564.75 | 1506845.67 | |
| Semilepidinoside A | 491440.25 | 234081.67 | 189638.00 | 319555.33 | 341901.50 | 393196.00 | 381044.33 | |
| Senecionine | 279167.75 | 135265.25 | 138161.50 | 167061.50 | 148490.00 | 143547.25 | 210598.00 | |
| Ser-Thr-Ser-Ser | 65466.25 | 173068.25 | - | 293250.00 | 68683.75 | - | 98203.00 | |
| Shikimate | 244130.25 | 168007.25 | 176811.00 | 239948.75 | 175338.00 | 191485.75 | 238290.33 | |
| Shikimate_1 | 516740.75 | 288117.25 | 249909.25 | 278512.50 | 234486.50 | 269492.50 | 353109.00 | |
| sinapoyltyramine | 143737.50 | 80496.50 | 77920.00 | 88178.50 | 79727.75 | 73369.00 | 108349.67 | |
| sinapoyltyramine_2 | 167026.25 | 93480.75 | 93897.50 | 101261.00 | 86263.00 | 93764.00 | 128060.67 | |
| (S)-Lactate | 1198663.00 | 5039526.75 | 8965967.00 | 3930260.50 | 4274744.75 | 4566819.75 | 6244982.67 | |
| (S)-Malate | 10976391.00 | 7813384.25 | 106726443.75 | 12671061.25 | 22472075.00 | 103034893.25 | 73764843.00 | |
| sodium dodecyl sulfate | 3526470.50 | 2016040.00 | 1944196.00 | 2156030.50 | 1860399.25 | 1906250.25 | 2650705.00 | |
| sodium dodecyl sulfate_1 | 5569667.50 | 1728173.50 | 1632695.75 | 1833020.75 | 3143879.75 | 675852.50 | 2451609.67 | |
| S-Propyl 1-propanesulfinothioate | 2298490.75 | 1070232.75 | 379534.25 | 387155.25 | 301054.50 | 357351.00 | 529158.33 | |
| (S)-Reticuline | 345611.50 | 198402.75 | 189335.75 | 212417.50 | 187242.00 | 180529.50 | 250897.33 | |
| (S)-Reticuline_1 | 264756.00 | 187218.50 | 182745.50 | 147861.75 | 138165.50 | 171031.00 | 187604.33 | |
| [ST methoxy,hydroxy(3:0)] 2-methoxy,3-hydroxy-estra-1,3,5(10... | - | 359980.50 | 273415.00 | - | - | 293932.50 | 558789.00 | |
| [ST oxo(3:0)] (5Z,7E)-(3S,23S)-24-oxo-9,10-seco-5,7,10(19)-c... | 764604.25 | 308287.50 | 126622.00 | 62337.75 | 87867.75 | 51909.25 | 401738.33 | |
| Suberic acid | 188422.50 | 102359.25 | 123115.00 | 152399.25 | 120652.00 | 131382.00 | 108997.00 | |
| Succinate | 2691172.25 | 2160287.75 | 12382024.00 | 5670425.00 | 4436504.75 | 8923413.50 | 8941475.33 | |
| Sulfate | 772116.00 | 434859.75 | 503422.00 | 543040.25 | 505781.50 | 455537.75 | 2207795.00 | |
| Sulfoacetaldehyde | 187393.75 | 236042.00 | 170947.00 | 332081.00 | 239643.00 | 167279.00 | 326347.33 | |
| Sulfoacetate | 30543.00 | 18579.50 | 19322.75 | 17792.00 | 16281.75 | 14185.75 | 203137.67 | |
| Sulmazole | - | 511183.75 | 770368.25 | 575074.75 | 759920.25 | 869348.75 | 133447.33 | |
| Tetradecanoic acid | 2546574.25 | 1467827.50 | 1580202.50 | 1722454.50 | 1470390.50 | 1395812.75 | 2018724.33 | |
| Tetradecanoic acid_1 | 17117562.50 | 7750597.75 | 7606624.00 | 8487867.75 | 4930197.75 | 8907630.00 | 9607928.67 | |
| Tetradecanoic acid_2 | 46265466.25 | 26995345.00 | 26103924.75 | 28959622.00 | 24982988.25 | 25379650.50 | 36589048.00 | |
| Tetragastrin | 122951.75 | 125404.50 | 67572.25 | 146121.75 | 111066.00 | 86441.75 | 143270.00 | |
| TG(53:4) | 3273423.50 | 578410.25 | 328113.67 | 307333.25 | 266809.33 | 215231.50 | 408068.00 | |
| TG(56:13) | 624990.00 | 237735.25 | - | 436137.00 | 190188.00 | 98246.50 | 253052.33 | |
| TG(56:13)_1 | 900880.75 | 294865.00 | 169182.00 | 334348.25 | 213828.00 | 119655.00 | 303901.00 | |
| threo-Syringoylglycerol | 163535.25 | 85795.25 | 84850.50 | 89302.75 | 72241.00 | 83752.00 | 111950.33 | |
| Thr-Ser-Ser | - | 359952.75 | 539410.75 | 330763.75 | 422392.25 | 486698.50 | 1100427.33 | |
| Thr-Ser-Ser_2 | - | 13202.00 | 45298.50 | 15507.50 | 26646.50 | 144547.50 | 56146.33 | |
| Thr-Thr-Ser | 209166.25 | 916099.25 | 1019125.75 | 930335.75 | 1505858.75 | 1622409.75 | 1639953.33 | |
| Thymidine | 2297899.50 | 1453588.25 | 1208341.00 | 1924789.75 | 524675.00 | 698572.50 | 1481195.33 | |
| Thymine | 314228.50 | 177275.75 | 160077.00 | 181736.75 | 164649.25 | 153458.25 | 222822.67 | |
| TRAM-3 | 385536.00 | 525879.25 | 3221490.25 | 602936.00 | 1953606.25 | 5156973.00 | 68030.50 | |
| Trifluoroacetic acid | 825306.00 | 477455.25 | 536738.00 | 526306.75 | 470706.00 | 455687.75 | 628829.33 | |
| Trifluoroacetic acid_1 | 755421.50 | 426745.50 | 422693.25 | 449988.00 | 404793.50 | 378579.25 | 579512.67 | |
| Trifluoroacetic acid_2 | 860722.50 | 434089.00 | 444086.00 | 463999.25 | 434430.75 | 432996.50 | 580023.00 | |
| Trifluoroacetic acid_3 | 687248.50 | 408937.25 | 420182.50 | 390952.25 | 360072.50 | 334614.50 | 519019.00 | |
| Trimethaphan | 21200.50 | 46639.50 | 50158.25 | 83342.00 | 60949.25 | 34872.00 | 67064.00 | |
| Trp-Gly | 478253.50 | 581037.00 | 589155.00 | 735980.25 | 633592.75 | 490146.00 | 688983.00 | |
| Trp-Tyr-Arg | - | 33728.75 | 77686.25 | 50573.50 | 129843.50 | 67573.75 | 102563.33 | |
| Tsangane L 3-glucoside | 91577.00 | 83302.00 | 56173.75 | 72121.25 | 61666.00 | 53348.75 | 87462.00 | |
| UDP | 289569.00 | 2596910.00 | 3832656.50 | 5169080.75 | 3978439.75 | 2907148.00 | 5244868.67 | |
| UDP-glucose | 193453.25 | 611894.00 | 710632.75 | 862927.25 | 457152.50 | 202237.75 | 938692.00 | |
| UDPMurAc(oyl-L-Ala-D-gamma-Glu-L-Lys-D-Ala-D-Ala) | 1663029.75 | 2491262.25 | 524065.75 | 3969039.00 | 921305.25 | 220164.75 | 3432194.67 | |
| UDP-N-acetyl-2-amino-2-deoxy-D-glucuronate | 495603.50 | 550992.25 | 109798.00 | 1536336.75 | 659742.75 | 130396.50 | 1527416.00 | |
| UDP-N-acetylmuramoyl-L-alanine | 122555.75 | 181310.00 | - | 267222.00 | 24818.00 | - | 264573.00 | |
| Uracil | 283597.25 | 261981.25 | 271267.50 | 284263.00 | 203845.00 | 215861.75 | 259735.67 | |
| Uracil_1 | 284819.50 | 158883.75 | 155635.00 | 169915.25 | 147119.00 | 141688.50 | 200737.33 | |
| Uracil_2 | 1742512.50 | 818798.25 | 624471.75 | 843904.25 | 536044.75 | 665631.75 | 991000.33 | |
| Urate | 299266.00 | 129295.25 | 152240.25 | 156924.25 | 145041.50 | 138905.50 | 217029.00 | |
| Uridine | 1360896.25 | 548162.00 | 437521.00 | 598358.00 | 347337.50 | 479212.25 | 723065.33 | |
| Urocanate | 233437.75 | 139349.50 | 129735.25 | 145939.50 | 131588.75 | 130553.00 | 180866.33 | |
| Urocanate_1 | 200480.00 | 112099.75 | 101543.75 | 119828.00 | 107970.75 | 98623.25 | 146323.67 | |
| Val-Val-Pro | - | 66689.25 | 120721.00 | 53187.50 | 156820.50 | 111012.00 | 145853.33 | |
| vanillylamine | 121896.00 | 95913.25 | 106793.25 | 100845.25 | 91835.25 | 93132.25 | 125017.33 | |
| Vinylacetylglycine | 534397.00 | 678150.75 | 386254.00 | 545452.00 | 385161.75 | 280932.25 | 651133.00 | |
| (Z)-3-(1-Formyl-1-propenyl)pentanedioic acid | 638585.00 | 425574.50 | 370470.00 | 524681.75 | 483981.25 | 387955.00 | 570429.33 | |
| Zanthodioline | 341602.75 | 144225.50 | 173295.25 | 239795.75 | 160963.75 | 225719.00 | 218570.67 | |
| (Z)-N-[(4-hydroxyphenyl)methyl]ethoxycarbothioamide 4^-(tri-... | - | 338541.25 | 346243.33 | 482712.25 | 291603.00 | 496074.50 | - |
Factors:
| F1 | treatment:C12-o-(BG-D)-10_1h |
| F2 | treatment:C12-o-(BG-D)-10_3h |
| F3 | treatment:C12-o-(BG-D)-10_6h |
| F4 | treatment:Control_1h |
| F5 | treatment:Control_3h |
| F6 | treatment:Control_6h |
| F7 | treatment:Pooled QC |
