Data for ST003278
| Metabolite structure | All data | F1 | F2 | F3 | F4 |
|---|---|---|---|---|---|
| 1,1^-(3,5-Pyridinediyl)di(1-decanone) | 462917.81 | 180958.43 | 56732.57 | 336554.85 | |
| 11-Aminoundecanoic acid | 509023613.84 | 501659910.24 | 813774743.00 | 331171642.57 | |
| 11-Nitro-1-undecene | 6069918.37 | 5474689.83 | 11632083.82 | 19713858.20 | |
| 1-(1Z,9Z-octadecadienyl)-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexa... | 7429566.82 | 3209025.88 | 3801886.33 | 1380954.31 | |
| 1_2-Diaminobenzene | 2658209.63 | 4890813.76 | 1208964.48 | 3515640.00 | |
| 1,2-Dihydropyrimidine | 335991881.97 | 972652164.62 | 209895620.05 | 463556422.85 | |
| 1,2-Dipalmitoleoyl-sn-glycero-3-phosphocholine | 6027526.74 | 2971643.74 | 8272270.64 | 1345548.02 | |
| 13-hydroxy-alpha-tocopherol | 10519693.22 | 7724868.36 | 15368303.13 | 5166489.86 | |
| 1,4-Dimethylimidazole | 21618493.25 | 28222815.89 | 62117649.84 | 30578843.45 | |
| 1_4-Lactone | 1296330.22 | 1974792.80 | 674022.60 | 1422983.53 | |
| 1-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phosp... | 1275916318.41 | 1158381149.70 | 3071898344.75 | 1130955181.54 | |
| 1,5-Methano-1H,3H,11H-furo(3,4-g)pyrano(3,2-b)xanthene-1-cro... | 206972.05 | 155657.38 | 144816.13 | 278801.63 | |
| 1-[(8Z,11Z,14Z)-icosatrienoyl]-sn-glycero-3-phosphocholine | 109625119.71 | 254553135.58 | 246309041.12 | 129369574.47 | |
| 1-[(9Z)-hexadecenoyl]-sn-glycero-3-phosphocholine | 288710781.22 | 231540415.27 | 612392943.80 | 265600937.52 | |
| 1-arachidonoyl-sn-glycero-3-phosphocholine | 87938632.52 | 73442830.53 | 248504682.55 | 98309389.34 | |
| 1-hexadecanoyl-2-[(11Z)-octadec-9-enoyl]-sn-glycero-3-phosph... | 1220339.60 | 1004826.81 | 1651235.27 | 545798.68 | |
| 1-Linoleoylglycerophosphocholine | 41079687.76 | 38379500.85 | 106358401.83 | 40356842.82 | |
| 1-Methylguanine | 84689151.53 | 39172690.72 | 175364182.88 | 54941747.17 | |
| 1-Methylpyrrolinium | 22892149.34 | 33763272.87 | 3250117.63 | 20946088.99 | |
| 1-Nitrosopiperidine | 1394577.05 | 6121871.02 | 1531024.70 | 1630390.13 | |
| 1-Oleoylglycerophosphocholine | 561132142.07 | 406297632.16 | 1318744654.50 | 453124919.73 | |
| 1-Palmitoylglycerophosphocholine | 302087943.74 | 276844435.68 | 739221472.50 | 363429420.06 | |
| 1-Phenylethylamine | 19690273.12 | 21804163.19 | 7152186.47 | 23393454.69 | |
| 1-stearoyl-2-oleoyl-sn-glycero-3-phosphoethanolamine zwitter... | 1975328.50 | 1251783.65 | 3956047.25 | 388324.20 | |
| 2-[(11Z,14Z)-icosadienoyl]-sn-glycero-3-phosphoethanolamine | 2525557.23 | 1416809.28 | 2746335.75 | 2934014.20 | |
| 2,2^-Iminodipropan-1-ol | 17497049.92 | 6120174.31 | 18580734.07 | 2986856.84 | |
| 2,3-Diethyl-5-methylpyrazine | 1292582.92 | 1200678.82 | 575272.51 | 1927283.70 | |
| 2-(3-Hydroxy-3,7,11,15-tetramethylhexadecyl)-3,5,6-trimethyl... | 18651757.47 | 15116322.39 | 15178889.44 | 13156780.49 | |
| 2-(3-Phenylpropyl)pyridine | 1829917.46 | 752183.46 | 2910931.97 | 6804544.10 | |
| 246I1D7TDL | 308241.18 | 386543.84 | 1238958.06 | 543072.39 | |
| 2,4-Diaminotoluene | 387041.71 | 415042.37 | 234041.19 | 390950.71 | |
| 2,4-Dimethyl-5,6,7,8-tetrahydroquinoline | 1143311.95 | 1122993.72 | 867522.10 | 2158640.04 | |
| (24R_24^R)-Fucosterolepoxide | 25717613.46 | 35517389.54 | 48790463.30 | 21529901.92 | |
| 2,5-Diethyl-3,6-dimethylpyrazine | 2065306.19 | 3701968.12 | 540284.10 | 2503108.80 | |
| 2-(6^-methylthio)hexylmalate | 1383733.65 | 1318059.54 | 5693697.65 | 2174325.89 | |
| (2,7-Dimethyloctahydro-1H-cyclopenta[c]pyridin-4-yl)methanol | 685397.20 | 1429697.82 | 359362.09 | 870551.39 | |
| 2-Allyl-6-methylpyrazine | 12437024.85 | 7205457.18 | 22501566.74 | 10706435.33 | |
| 2-Amino-3-hydroxy-15-methyl-1-hexadecanesulfonic acid | 2501864.73 | 2366831.72 | 1248127.83 | 2775832.21 | |
| 2-arachidonyl-sn-glycero-3-phosphoethanolamine | 4539622.28 | 2585646.62 | 44352792.82 | 7540161.65 | |
| 2-Dimethylamino-5,6-dimethyl-4-hydroxypyrimidine | 1403704.17 | 1726859.55 | 745624.54 | 1427145.58 | |
| 2-Dodecylbenzenesulfonic acid | 17861049.16 | 10525293.97 | 10742316.78 | 9231035.54 | |
| (2E,4E,16Z)-1-(1-Piperidinyl)-2,4,16-icosatrien-1-one | 30953706.76 | 32333770.34 | 23937512.26 | 38439103.11 | |
| (2E,4Z,12E)-1-(1-Piperidinyl)-2,4,12-octadecatrien-1-one | 50272958.24 | 50663554.60 | 27447487.19 | 61516088.26 | |
| (2E,4Z)-N-Isobutyl-2,4-decadienamide | 31737.85 | 41420.98 | 17809.31 | 41464.16 | |
| (2E,6Z)-N-Cyclopropyl-2,6-nonadienamide | 2340842.21 | 963249.05 | 2473234.45 | 8367979.05 | |
| (2E,6Z)-N-Ethyl-2,6-nonadienamide | 44886.83 | 42676.69 | 15274.89 | 51167.69 | |
| 2-Ethyl-4,5-dimethylthiazole | 365586.89 | 482380.99 | 156277.26 | 604159.55 | |
| 2-Hydroxyphenethylamine | 841982.22 | 1079799.82 | 421573.33 | 2140070.29 | |
| 2-Isobutyl-3-methoxypyrazine | 617410.24 | 1250224.50 | 436085.42 | 711166.13 | |
| 2-Methyl-6-[(1E)-1-propenyl]pyrazine | 19870769.95 | 11838871.74 | 36985114.93 | 16322016.42 | |
| 2-Methyl-6-undecylpiperidine | 15754520.30 | 20320629.54 | 8231529.83 | 18337562.45 | |
| 2-methylbutyrylcarnitine | 561521.45 | 614683.99 | 1078637.66 | 613516.09 | |
| 2-Methylcholine | 132753653.25 | 117728610.72 | 308902398.02 | 126139137.25 | |
| 2-MethylpropanalO-methyloxime | 1067206905.54 | 1391567805.18 | 538486196.55 | 1659362111.62 | |
| 2-Methylpropanaloxime | 4669215.72 | 4373698.22 | 1432353.00 | 4412351.57 | |
| 2-Methylpyrrolidine | 411873381.08 | 456665838.57 | 127721006.73 | 370151749.89 | |
| 2-Pentylpyridine | 116242587.63 | 98656001.66 | 26213577.48 | 132302850.15 | |
| 2-Phenylcyclopropanamine | 1359046.26 | 1572321.31 | 1557435.32 | 1398705.74 | |
| (2R)-1-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-3-hydroxy-2... | 36172305.40 | 29395416.60 | 98951886.55 | 25240378.13 | |
| (2R)-1-[(2S,4R,5Z)-4-Benzyl-2,5-dihydroxy-5-{[(1R,2S)-2-hydr... | 949258.76 | 852601.99 | 1226694.32 | 413741.64 | |
| (2R)-2-{[(2R)-2-{[(2S,3R,4R,5S,6R)-3-Acetamido-2,5-dihydroxy... | 1251555.58 | 3005899.74 | 1224883.56 | 1802430.43 | |
| (2R)-2-[(4Z,7Z,10Z,13Z,16Z,19Z)-4,7,10,13,16,19-Docosahexaen... | 1442139.25 | 958570.54 | 1789796.46 | 537945.64 | |
| (2R)-2-[(5Z,8Z,11Z,14Z,17Z)-5,8,11,14,17-Icosapentaenoyloxy]... | 1878688.97 | 1029225.41 | 8477716.38 | 526700.45 | |
| (2S)-3-Phenyl-2-({[(3S,4S,5R)-2,3,4-trihydroxy-5-(hydroxymet... | 639551.81 | 3050750.80 | 957186.34 | 2254952.07 | |
| 2S-Amino-tridecanoic acid | 1057572.55 | 1035099.90 | 799098.25 | 1748328.47 | |
| (2Z,4E)-1-(1-Piperidinyl)-2,4-icosadien-1-one | 5415597.21 | 4792705.40 | 5570509.16 | 5474991.42 | |
| 3-(1-Piperazinyl)benzisothiazole | 17784393.81 | 12469767.00 | 8624033.70 | 11617075.99 | |
| 3-[(4E,7E,10E,13E,16E,19E)-4,7,10,13,16,19-Docosahexaenoylox... | 355456.24 | 450655.71 | 777835.98 | 522094.44 | |
| 3-[(6-Oxodecanoyl)oxy]-4-(trimethylammonio)butanoate | 9898533.12 | 13453054.07 | 6580041.09 | 7453973.41 | |
| 3-(7^-Hydroxy-4b^,8^,8^,10a^-tetramethyl-5-oxotetradecahydro... | 81685.89 | 88151.07 | 31803.67 | 164332.10 | |
| 3-Amino-3-(4-hydroxyphenyl)propanoate | 479802.43 | 508311.66 | 480488.03 | 758153.49 | |
| 3-Amino-5,7-dimethyl-1-adamantanol | 100263.92 | 88478.01 | 56874.10 | 150429.51 | |
| 3-Dehydroxycarnitine | 1147778457.09 | 1206420047.95 | 496126411.50 | 1288570949.66 | |
| 3-Epihydroxy-2^-deoxymugineicacid | 1710599.72 | 3180821.64 | 1049011.66 | 2701174.18 | |
| 3-Guanidinopropanoate | 2967617.31 | 5737860.69 | 3791559.38 | 12695950.35 | |
| 3-Indolepropionicacid | 1460950.92 | 1087393.14 | 1527843.39 | 3770122.67 | |
| 3-(Isothiocyanatomethyl)-1H-indole | 2454738.65 | 2649737.20 | 1911381.60 | 2357578.80 | |
| 3-Methyl-3-phenylazetidine | 94634.81 | 127764.14 | 50196.84 | 271400.42 | |
| 3-Methylcyclopentene | 19625754.15 | 12607404.30 | 21427454.05 | 71400274.26 | |
| 3-Nonyl-1H-pyrazole | 548076.29 | 354668.53 | 1118093.04 | 1167933.07 | |
| 3-Phosphonooxypyruvate | 139552.28 | 166415.26 | 53751.18 | 293991.65 | |
| (3R)-beta-Leucine | 197980444.25 | 296091165.03 | 159755933.52 | 318279120.96 | |
| (3S)-3_6-Diaminohexanoate | 516828.35 | 464043.88 | 1520195.69 | 644506.21 | |
| (3S)-3-(Pentanoyloxy)-4-(trimethylammonio)butanoate | 1690169.12 | 1657695.38 | 6922068.55 | 2331249.27 | |
| (3Z,6E)-N-Hydroxy-2,4,4,7-tetramethyl-6,8-nonadien-3-imine | 190023.10 | 258602.59 | 83956.86 | 212430.39 | |
| 4-(1,2-Dihydroxy-2-propanyl)-1-methyl-1,2-cyclohexanediol | 687346.99 | 1454917.04 | 174787.87 | 1327887.19 | |
| 4-(1-Hydroxy-2-{[6-(4-hydroxy-4-phenylbutoxy)hexyl]amino}eth... | 1617441.50 | 1076461.90 | 3479144.37 | 3094621.83 | |
| 4-[(1S)-1-Cyclohexyl-2-(2-piperidinyl)ethyl]cyclohexanol | 6391164.07 | 6166370.57 | 2708995.51 | 8194107.95 | |
| 4-(4,5-dihydro-1H-imidazol-2-yl)-2,6-dimethylmorpholine hydr... | 614067.92 | 973619.37 | 843693.06 | 779013.47 | |
| 4,4^-diapolycopenedial | 249349.81 | 241109.07 | 991043.50 | 162916.39 | |
| 4,6-Diamino-5-formamidopyrimidine | 45635838.49 | 51657718.57 | 107725624.36 | 67288918.25 | |
| (4-amino-1,2,5-oxadiazol-3-yl)(1-pyrrolidinyl)methanone oxim... | 156360588.83 | 281430237.32 | 159596342.57 | 226741586.57 | |
| 4-Aminopyridine | 14549392.74 | 19766473.38 | 9520991.08 | 13852581.53 | |
| (4E)-2-Amino-3-oxo-4-undecenoic acid | 1642180.11 | 1668650.59 | 4950536.97 | 1960269.91 | |
| 4-Guanidinobutanal | 26491669.88 | 32879005.87 | 43604152.65 | 29128619.64 | |
| 4-Imidazolemethanol | 231472.47 | 974965.36 | 142017.23 | 146585.15 | |
| 4-Methoxyaniline | 4274011.45 | 8666452.99 | 2912447.15 | 7988723.43 | |
| 4-Methyl-2-propyloxazole | 132845.71 | 229813.67 | 114722.22 | 173890.25 | |
| 4-Nitroaniline | 5710120.43 | 6924359.52 | 2717455.04 | 3471691.48 | |
| (4S)-4-hydroxy-3,5,5-trimethyl-4-[(1E)-3-{[(2R,3R,4S,5S,6R)-... | 12037505.82 | 11153865.73 | 20445547.36 | 19370371.84 | |
| 4-Trimethylammoniobutanal | 991311.27 | 338139.19 | 139287.48 | 569470.89 | |
| 4-Vinylpyridine | 11545613.66 | 9327753.17 | 6035397.77 | 15981750.73 | |
| 5,5^,6,6^-Tetrahydro-3^,6^-epoxy-beta,beta-carotene-3,5,5^,6... | 5180889.86 | 8624065.91 | 8422017.72 | 5409603.33 | |
| 5,5-dimethyl-3-morpholinocyclohex-2-en-1-one | 4909516.29 | 3321000.50 | 32687131.56 | 13031470.35 | |
| 5-Aminopentanamide | 177258.52 | 134017.34 | 98235.55 | 206739.69 | |
| 5-Methoxy-N_N-dimethyltryptamine | 5306032.77 | 5511641.52 | 46581040.24 | 48394737.51 | |
| (5S)-5-hydroxy-1,7-diphenylheptan-3-one | 66495434.83 | 60157135.63 | 153974867.84 | 77660399.72 | |
| 6-{[2-(2-oxo-1-imidazolidinyl)ethyl]amino}-2-pyridinecarboni... | 7242412.07 | 4654440.86 | 11352359.27 | 9931995.29 | |
| (6E)-5-Hydroxy-4-{[(1R,2S,5S)-2-hydroxy-5-isopropenyl-2-meth... | 114392.02 | 233992.86 | 304291.70 | 228373.62 | |
| 6-fluoro-3,4-dihydro-2H-pyrano[2,3-b]quinolin-5-amine | 27309795.11 | 24760874.27 | 30433069.19 | 17712696.85 | |
| 6-Methylnicotinamide | 11430413.06 | 16116603.56 | 11111103.21 | 19112900.65 | |
| 6-methyltetrahydropterin | 393374859.80 | 232653244.47 | 646634851.42 | 330918233.61 | |
| 7-Aminomethyl-7-deazaguanine | 1508696.77 | 2182412.73 | 687504.93 | 3565147.12 | |
| 9-cis-Retinoicacid | 3163902.95 | 14257512.78 | 13948373.79 | 8429500.51 | |
| 9-fluoro-17?-oxa-dextro-homoandrosta-1,4-diene-3,11,17-trion... | 203122.34 | 162658.82 | 68110.94 | 109309.37 | |
| Acetylcadaverine | 87250.19 | 248840.44 | 40422.39 | 268483.50 | |
| Acetyl-L-carnitine | 55166.53 | 493843.90 | 128614.41 | 1712986.47 | |
| AL9450000 | 500642.57 | 616877.89 | 182664.55 | 723905.64 | |
| allopurinol | 1022697212.10 | 769766191.28 | 2128661359.25 | 1165921580.96 | |
| Amfepramone | 603931.25 | 616776.15 | 635874.52 | 560147.19 | |
| Amide C18 | 802939.71 | 793388.83 | 176943.04 | 817016.26 | |
| Amide C22 | 1748647.23 | 2572278.97 | 1071722.94 | 1891890.27 | |
| ammodendrine | 1625508.31 | 1317009.95 | 1755083.13 | 3499795.51 | |
| Amorolfine | 29438563.09 | 38866827.17 | 17187842.51 | 28130960.11 | |
| Amphetamine | 47880920.51 | 61207473.29 | 43761003.92 | 51562654.71 | |
| anacardic acid | 721742.50 | 4507856.98 | 1580651.67 | 1107985.76 | |
| APM | 5789790.96 | 6888433.16 | 3192522.56 | 11378075.49 | |
| Arachidonoyl Serinol | 759617.26 | 513317.63 | 709622.27 | 236922.29 | |
| Atagabalin | 14302034.19 | 15184239.03 | 17821492.89 | 13339851.83 | |
| Atipamezole | 308159.23 | 425951.19 | 620797.17 | 1939168.59 | |
| Benzamidine | 81666.55 | 99475.06 | 51868.79 | 34846.87 | |
| Benzylamine | 99379944.06 | 109100660.11 | 76112128.93 | 103141295.06 | |
| Bethanidine | 657665.69 | 473151.05 | 1044089.60 | 941585.84 | |
| BORRELINE | 291725.63 | 446954.77 | 438884.46 | 346312.79 | |
| Buclizine | 3034455.17 | 3837777.06 | 2368209.23 | 2394311.66 | |
| butoctamide | 621758543.23 | 550787244.60 | 712342599.77 | 911819491.27 | |
| C18-Carnitine | 3445037.00 | 1433750.35 | 6068706.45 | 3061840.28 | |
| Candoxatril | 2140798.49 | 2421285.80 | 2804851.62 | 5392863.46 | |
| Capryloylglycine | 2530098.73 | 4443382.43 | 2181712.18 | 2654033.47 | |
| Capsi-amide | 42358016.57 | 43877989.11 | 22512162.45 | 39862120.60 | |
| CETABEN | 2584963.05 | 2533348.41 | 1808240.28 | 3061010.87 | |
| Cetrimonium | 5037651755.47 | 3975791529.06 | 2579503327.75 | 5173937776.39 | |
| Choline | 26836679345.00 | 28091639263.47 | 25667044158.00 | 32807065111.92 | |
| Cholinephosphate | 14444719.62 | 12743415.99 | 33670884.35 | 12930568.28 | |
| Ciclopirox | 1477294.87 | 660089.66 | 1769177.44 | 2109088.02 | |
| Coniine | 972233.65 | 1244926.02 | 436017.16 | 1319160.99 | |
| Creatinine | 49050285.44 | 44088236.82 | 119346945.98 | 69800265.17 | |
| Crotono-betaine | 67150.31 | 109319.38 | 35513.48 | 77380.08 | |
| Cyanopyrazine | 84724.11 | 171123.11 | 21673.75 | 112808.54 | |
| Cyclohexane | 218177.02 | 86298.23 | 42918.33 | 148581.18 | |
| Cyclohexapyrazine | 357571.78 | 493295.62 | 224760.31 | 733929.18 | |
| Cyclohexylamine | 45265695.59 | 47837953.09 | 33443351.61 | 100837298.62 | |
| (cyclohexylmethyl)pyrazine | 2070901.98 | 1558060.94 | 1558130.56 | 1613109.46 | |
| Cyclo(leucylprolyl) | 27121.76 | 38678.58 | 51272.81 | 132592.30 | |
| Cytidine;1-beta-delta-Ribofuranosyl-Cytosine | 7277659.11 | 230757.37 | 9242731.43 | 4081890.38 | |
| D-2-Amino-hexano-6-lactam | 10431366.19 | 23806709.91 | 9809893.98 | 19309211.64 | |
| DD9275000 | 330582808.08 | 344637922.79 | 304467106.85 | 399074499.55 | |
| Deanol | 2015491.08 | 2691175.57 | 558930.07 | 1045069.04 | |
| deoxyhypusine | 925657.91 | 515276.88 | 739383.62 | 321753.23 | |
| Dexamisole | 535179911.56 | 367090682.46 | 406803288.15 | 466281731.19 | |
| Dicyclohexylamine | 10150415.45 | 21657525.23 | 4686303.53 | 11817474.12 | |
| dicyclohexylcarbodiimide | 249463.94 | 176455.80 | 222856.44 | 1110933.45 | |
| Dicyclomine | 2107384.32 | 2397343.16 | 827894.41 | 2714008.94 | |
| Diethanolamine | 53885799.85 | 38775125.68 | 73922479.09 | 37225770.18 | |
| Dimethylaminopropionylphenothiazine | 47917116.68 | 63903171.79 | 49937882.02 | 28398271.46 | |
| Dimethylbenzimidazole | 259165.60 | 644613.42 | 544820.24 | 520545.42 | |
| D-Methionine | 813411.84 | 1138771.34 | 754112.59 | 2990228.88 | |
| D-Phenylalanine | 36876209.28 | 35149081.51 | 63821449.19 | 24639038.64 | |
| D-Proline | 1510332.38 | 4492197.03 | 2593672.66 | 16082978.77 | |
| D-Tryptophan | 13438927.24 | 9741580.94 | 23797431.38 | 13127183.32 | |
| EJ4025000 | 39663.41 | 60319.03 | 18026.79 | 38873.61 | |
| EPTAZOCINE | 267902.68 | 130009.84 | 167194.92 | 368469.50 | |
| ethambutol | 3407029.38 | 5038730.81 | 2462758.60 | 7548843.42 | |
| Ethephon | 4527511.72 | 2134511.60 | 701755.13 | 3055640.12 | |
| Ethoxyquin | 60322.45 | 49372.71 | 45169.54 | 259123.30 | |
| ethyl 1-{[1-benzyl-3-(tert-butyl)-1H-pyrazol-5-yl]carbonyl}-... | 16930836.23 | 21217507.22 | 34051490.95 | 52006633.99 | |
| ethyl 1-(4-methylphenyl)-1H-[1,2,4]triazolo[4,3-a]benzimidaz... | 13442982.80 | 16730586.98 | 13713085.50 | 17066540.37 | |
| ethyl 2-{4-[(4-methoxyphenyl)methylene]-5-oxo-2-phenyl-4,5-d... | 17719860.61 | 16449969.58 | 28146927.65 | 25151869.89 | |
| (+)-exo-5-Hydroxycamphor | 460124.30 | 759409.72 | 304438.23 | 703105.45 | |
| [FA(16:2)]N-hexadecyl-ethanolamine | 28881651.83 | 20574294.06 | 21580942.76 | 20923394.84 | |
| [FA(20:3)]11_12-epoxy-5Z_8Z_14Z-eicosatrienoicacid | 186444.28 | 2368594.51 | 313434.50 | 644925.21 | |
| [FAamino(5:0)]2S-amino-pentanoicacid | 83626736.75 | 117840440.57 | 47384724.67 | 141056392.39 | |
| [FAhydroxy(20:3)]11_12-dihydroxy-5Z_8Z_14Z-eicosatrienoicaci... | 203348.22 | 4928448.08 | 137814.67 | 296647.65 | |
| [FA]O-Palmitoyl-R-carnitine | 302634.72 | 525463.35 | 1246846.14 | 392071.86 | |
| Fasoracetam | 1772351.26 | 2739562.28 | 825796.98 | 1267471.20 | |
| Fingolimod | 50726.57 | 84707.31 | 21542.39 | 68534.95 | |
| fluphenazine enanthate | 188309.55 | 183878.05 | 1055021.10 | 124896.64 | |
| flutriafol | 145829.09 | 344084.50 | 774472.62 | 673676.30 | |
| Forasartan | 140352.68 | 221504.92 | 530455.50 | 398153.35 | |
| Gabapentin | 1159924.47 | 1838184.65 | 1069909.67 | 1862652.61 | |
| gamma-Coniceine | 165340832.57 | 131818430.27 | 85526430.72 | 189865671.77 | |
| GibberellinA12 | 543933.42 | 4035291.49 | 359620.76 | 876294.07 | |
| Guanine | 140065747.15 | 73401658.09 | 265250734.72 | 137408247.94 | |
| Guanosine | 2585656.20 | 878666.62 | 2910236.96 | 561302.01 | |
| Heptaethylene Glycol | 685537.55 | 730695.12 | 1727120.11 | 870581.36 | |
| heptaminol | 822113.72 | 967302.95 | 210591.38 | 931679.26 | |
| Hexadecanamide;Palmiticamide | 19593539.35 | 18278633.15 | 14956662.96 | 19046849.98 | |
| Hexylamine | 1027720735.81 | 1216673170.03 | 2120369264.25 | 830557546.80 | |
| HMBA | 450523.67 | 335633.87 | 377867.90 | 132836.88 | |
| Huperzine | 752917.29 | 953190.72 | 2528510.16 | 4249719.00 | |
| IE1225000 | 408235.82 | 922142.43 | 213406.69 | 726690.52 | |
| Imagabalin | 3180476.08 | 2787440.63 | 2264963.04 | 4166641.68 | |
| Indane | 3146057.52 | 3334414.67 | 3605418.66 | 3310138.36 | |
| Indoleacrylicacid | 22303134.30 | 20268906.38 | 46515835.90 | 21173345.92 | |
| Inosine | 19760383.27 | 11721532.99 | 36056532.15 | 8579322.77 | |
| Inspra | 966188.51 | 2778024.36 | 1390501.28 | 2961418.01 | |
| Isoleucine - 6C13 | 266088299.77 | 188201861.90 | 546450814.10 | 159890952.97 | |
| Isoquinoline | 212895.12 | 96618.96 | 29916.25 | 304742.83 | |
| Istamycin C1 | 8005550.49 | 7463259.55 | 6151353.01 | 5299843.11 | |
| jesaconitine | 542250.03 | 424500.74 | 498393.99 | 1160048.42 | |
| Lauramide | 2036155.97 | 2047652.11 | 1119506.97 | 2686283.68 | |
| Leucamine | 241593019.99 | 350129933.35 | 116735533.24 | 262489090.03 | |
| Leucinamide | 14850758.26 | 25153741.31 | 5438667.73 | 29528585.17 | |
| Leupeptin | 172021.07 | 139797.58 | 135664.52 | 139733.42 | |
| Levallorphan | 769489.65 | 787798.26 | 276758.83 | 545608.85 | |
| Levamisole hydrochloride | 1210429081.52 | 1120964036.20 | 1186736320.85 | 1000137252.80 | |
| LQ1825000 | 1757355.48 | 1795734.48 | 386538.25 | 3009348.48 | |
| (-)-Lupinine | 152760781.34 | 143636213.69 | 256893049.47 | 86802292.48 | |
| lysophosphatidylethanolamine (22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:... | 1123699096.70 | 1048901849.97 | 3667783398.00 | 989394395.35 | |
| MACAMIDE 1 | 69174273.69 | 100219036.50 | 34384834.33 | 87817114.81 | |
| Mefenamic acid | 75058.46 | 93684.25 | 79875.71 | 234581.43 | |
| Melagatran | 19108240.84 | 23103922.99 | 12256254.67 | 30649268.83 | |
| Menaquinone 8 | 3644674.04 | 2084762.08 | 4724587.13 | 1111687.18 | |
| mephentermine | 1721821.30 | 1873632.98 | 1268975.14 | 3437945.51 | |
| mesaconitine | 775575.57 | 969308.74 | 345687.14 | 1156906.82 | |
| Methyl alpha-aspartylphenylalaninate | 9060080.30 | 5873898.10 | 21832793.25 | 8341660.67 | |
| Methylcyclopentane | 6008989.00 | 13702585.87 | 7541383.12 | 26097468.78 | |
| Methyl N-formylnorleucylleucylphenylalaninate | 7664431.39 | 4068559.29 | 7737122.80 | 1565756.78 | |
| Mexiletine | 197265.76 | 245833.27 | 582600.12 | 685361.18 | |
| MFCD00135289 | 3839952.70 | 1601280.43 | 13160078.02 | 789374.41 | |
| MFCD22416941 | 4692164.27 | 3628081.34 | 14695974.07 | 4963076.52 | |
| Miglitol | 29497985.86 | 33131045.65 | 20471744.31 | 49660725.73 | |
| Militarinone A | 33473033.44 | 91974687.77 | 74163906.26 | 69233668.94 | |
| Minoxidil | 2042798.19 | 938100.11 | 3046250.03 | 9786057.58 | |
| MM3670000 | 32381975.13 | 35226394.59 | 69622369.90 | 34102746.66 | |
| Moxisylyte | 1250129.66 | 1209758.95 | 666858.16 | 1192583.54 | |
| Mycocyclosin | 542701.60 | 350515.56 | 313524.04 | 1380305.71 | |
| Myristamide | 15534890.90 | 8113076.72 | 15483339.07 | 13168050.18 | |
| N1-bicyclo[2.2.1]hept-2-yl-2-{4-[(dipropylamino)sulfonyl]ben... | 17305859.58 | 12777010.91 | 14840248.39 | 20421142.87 | |
| N-(2,6,10,14-Tetramethylpentadecanoyl)glycine | 1632393.14 | 1560488.99 | 585116.42 | 1703473.46 | |
| N-{(2S,3R,4E)-3-Hydroxy-1-[(3-O-sulfo-beta-D-threo-hexopyran... | 228103.83 | 167708.60 | 118976.30 | 128027.35 | |
| N-(6-Aminohexanoyl)-6-aminohexanoate | 757474.75 | 1470707.70 | 1705942.21 | 4024386.87 | |
| N8ONU3L3PG | 3038417.28 | 4489163.21 | 7797336.35 | 5815012.66 | |
| N-Acetoxy-4-aminobiphenyl | 2234125.75 | 2474190.67 | 3164767.29 | 8593334.03 | |
| N-Acetyl-D-quinovosamine | 701730.32 | 2276399.14 | 438586.57 | 845368.38 | |
| N-Acetyl-O-demethylpuromycin | 373488.12 | 220236.19 | 280178.87 | 537446.71 | |
| Naphthalen-2-amine | 51110.56 | 46897.35 | 31868.30 | 246439.09 | |
| N-benzyl-4-ethyl-N-isopropylbenzamide | 1602389.89 | 1858139.08 | 13513753.88 | 2596701.27 | |
| N-benzyl-N-isopropyl-N^-[4-(trifluoromethoxy)phenyl]urea | 868179.63 | 2463161.96 | 1080786.38 | 1520284.26 | |
| N-cyclohexyl-1-methyl-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carbo... | 4671693.43 | 9343730.62 | 2235058.46 | 2013594.33 | |
| n-Dibutyl sulfide | 2565927.68 | 3909658.81 | 372809.86 | 1991562.48 | |
| Netilmicin | 15581944.12 | 16585747.92 | 21398202.52 | 15707221.65 | |
| NFP | 158438950.22 | 143505475.08 | 85258014.82 | 182815637.97 | |
| N-Heptadecanoylglycine | 11809084.63 | 6525640.67 | 18837205.39 | 3152195.08 | |
| n-Hexanamide | 35442740.10 | 34272430.68 | 13744401.07 | 39907865.70 | |
| N-Hydroxydecanamide | 11888371.61 | 12666608.18 | 5938904.01 | 18026026.99 | |
| Nicotinamide | 20964446.02 | 28361975.62 | 20538387.30 | 50340935.91 | |
| Nigrifactin | 3331190.20 | 3542585.81 | 2353485.46 | 6416321.28 | |
| (+)-N-Methylconiine | 1357739.20 | 1587595.71 | 1201074.43 | 2278795.36 | |
| N-Methyldioctylamine | 207512868.61 | 182175000.75 | 87258576.65 | 240696836.88 | |
| N-Methylphenylethanolamine | 1195378.50 | 1514594.61 | 404096.24 | 1447467.86 | |
| N-Methylpyridinium | 64333647.68 | 79002584.48 | 60650424.08 | 108736616.79 | |
| N-Methyl-(R_S)-tetrahydrobenzylisoquinoline | 860127.00 | 257104.42 | 945474.51 | 3308071.18 | |
| N,N-Dimethyl-N-phenylurea | 182471.72 | 182292.90 | 239291.37 | 426791.82 | |
| N_N-Dimethylsphing-4-enine | 1510885.69 | 2182570.03 | 477323.80 | 1831201.97 | |
| N_N-Dimethyltryptamine | 345149.59 | 441821.88 | 647420.19 | 1652663.35 | |
| N-Nitrosodiethylamine | 178093.44 | 116411.70 | 261700.08 | 163166.30 | |
| Norethindrone | 793280.49 | 2546725.99 | 1319647.46 | 2059072.89 | |
| NP-008993 | 188631203.18 | 205118125.71 | 239787282.72 | 147374745.55 | |
| NP-016596 | 10055740.82 | 13587586.46 | 12577558.23 | 25628043.43 | |
| NP-022076 | 6093517.99 | 10904496.72 | 7951843.66 | 12472376.85 | |
| N-Pentacosanoylglycine | 25722872.32 | 26474500.27 | 27314532.84 | 24425017.58 | |
| N-Stearoyltyrosine | 1989620.92 | 1154022.53 | 6212801.96 | 2125060.38 | |
| N-tert-Butyloxycarbonyl-deacetyl-leupeptin | 3693029.00 | 2164786.69 | 2768618.32 | 3613230.77 | |
| N-Undecanoylglycine | 2336698.52 | 1846905.00 | 1782217.21 | 1411123.96 | |
| Octylamine | 27360745.92 | 30032673.67 | 16465491.76 | 45157250.42 | |
| ODA | 32902742.61 | 17749200.08 | 29947528.22 | 42579817.71 | |
| Orange OT | 1636257.87 | 1558777.72 | 1236051.09 | 785512.91 | |
| Orphenadrine | 536489.54 | 103674.07 | 700113.00 | 1871433.47 | |
| Pantothenicacid(VitaminB5) | 186699.50 | 362182.61 | 129460.21 | 316794.37 | |
| PC | 104948070.85 | 56484722.55 | 209395247.32 | 25647637.68 | |
| PEG-4 | 121389816.54 | 167713107.98 | 210976193.28 | 145894903.25 | |
| Pent-1-ene | 44316733.02 | 39569303.00 | 8732239.98 | 42584254.45 | |
| Phenelzine | 675026.73 | 941145.59 | 1658222.38 | 1049061.30 | |
| Phenethylamineglucuronide | 569985.47 | 955141.54 | 883279.22 | 1697660.60 | |
| Pheneturide | 22356034.34 | 11291566.82 | 22337125.69 | 22723328.30 | |
| Phenmetrazine | 1445119.93 | 2327146.66 | 17511878.60 | 5382082.63 | |
| Phentermine | 47895996.50 | 52250572.07 | 17760456.83 | 56540092.42 | |
| Pinidine | 691737.57 | 1106173.27 | 177138.14 | 1052955.32 | |
| Piperazine | 63330755.24 | 52816488.03 | 39127065.19 | 83921920.73 | |
| Piperidine | 4075628439.93 | 5123821203.60 | 1241600215.58 | 4286180514.89 | |
| Piperlonguminine | 767539.17 | 1955544.47 | 1868453.79 | 1966533.37 | |
| Pregabalin | 41682439.01 | 44311496.49 | 10242863.17 | 45646432.28 | |
| prolintane | 838406.35 | 1504346.57 | 833775.47 | 4382512.86 | |
| Propylhexedrine | 619320.76 | 980808.80 | 287241.82 | 686347.08 | |
| Pseudopelletierine | 27546.46 | 39698.88 | 42706.25 | 27847.88 | |
| Pyrazolidine | 532132.51 | 466143.42 | 745546.54 | 332825.92 | |
| Pyridoxamine;2-Methyl-4-aminomethyl-5-hydroxymethyl-3-Pyridi... | 36820.56 | 33202.75 | 22020.68 | 44815.99 | |
| Pyrrolidine | 4163223034.33 | 5277279061.87 | 2352317947.00 | 6744123592.75 | |
| Quwenzhi | 530351.39 | 601403.30 | 1084948.76 | 581069.49 | |
| (R)-2-Methylimino-1-phenylpropan-1-ol | 97619.61 | 138089.34 | 42078.83 | 82779.20 | |
| (R)-Acetoin | 391494.25 | 279393.17 | 2029172.85 | 273325.88 | |
| rac-Etomidate | 530555.08 | 1737193.15 | 493037.65 | 527457.25 | |
| RH0365500 | 1906709.12 | 2286332.01 | 2993470.34 | 3927941.35 | |
| Rilmenidine | 581244.22 | 772499.34 | 576341.06 | 1017686.24 | |
| (R_S)-Tetrahydrobenzylisoquinoline | 328457.49 | 226491.73 | 542603.20 | 1231111.43 | |
| (S)-Carnitine | 606013.86 | 844815.03 | 670394.20 | 896375.06 | |
| sedamine | 114769.54 | 204805.68 | 527642.98 | 66483.59 | |
| Selsun | 841495.34 | 387349.54 | 1035062.88 | 596618.42 | |
| Ser-Ser | 3373882.06 | 1622838.02 | 3244436.07 | 3362207.02 | |
| Solasodine | 8435861.48 | 10320633.77 | 3787258.22 | 29356688.34 | |
| solenopsin | 1828994.63 | 1720929.47 | 556236.96 | 2443849.80 | |
| Stachydrine | 60352.37 | 73973.80 | 30575.34 | 248291.21 | |
| SteroidO-sulfate | 7221800.78 | 8050478.52 | 8216748.13 | 5571559.91 | |
| Tapentadol | 587214.22 | 578823.43 | 781673.35 | 1070752.27 | |
| Taurine | 903767.33 | 610085.86 | 531092.17 | 4703993.72 | |
| tetridamine | 189714.73 | 176121.73 | 385698.76 | 415280.63 | |
| tinoridine | 10298832.17 | 12260397.73 | 8538961.46 | 10136445.29 | |
| TO0127900 | 799115.57 | 1209449.30 | 1193070.01 | 2318932.77 | |
| Tocainide | 2889475.45 | 2559901.51 | 946284.49 | 3232412.20 | |
| trans-2-Dodecenoylcarnitine | 2902941.70 | 2248312.38 | 5583878.79 | 4280070.70 | |
| Tridecyl 4-hydroxybenzenepropanoate | 678556.44 | 6511719.93 | 2171756.06 | 4018140.79 | |
| Tridemorph | 820304398.73 | 762897353.85 | 330900395.30 | 895542856.19 | |
| Tris(hydroxymethyl)aminomethane | 3278041.54 | 996161.60 | 736375.12 | 2246497.20 | |
| Tropinone | 631515.69 | 775966.54 | 288065.96 | 710769.61 | |
| Tryptoline | 32535799.59 | 32874126.43 | 29139587.99 | 30957693.87 | |
| tuaminoheptane | 1402328.32 | 2362781.13 | 547369.10 | 2101206.28 | |
| Tyrosyl-4-hydroxyproline | 11029702.58 | 6418602.76 | 22701759.70 | 9883791.74 | |
| UNII:6S7S02945H | 1328740.42 | 1908806.22 | 448585.67 | 1798844.02 | |
| valpromide | 1347409.95 | 1132246.58 | 1491700.41 | 3344196.46 | |
| voxtalisib | 91207.42 | 168476.79 | 45268.50 | 131469.24 | |
| WLH | 7382892.68 | 5826233.13 | 11368453.99 | 7566708.87 | |
| WS1228A | 1341953.27 | 342364.69 | 3626236.00 | 4911149.27 |
Factors:
| F1 | Sample source:Retina | Treatment:Control |
| F2 | Sample source:Retina | Treatment:Crush |
| F3 | Sample source:Retina | Treatment:QC |
| F4 | Sample source:Retina | Treatment:Sham |
