Data for ST001875
| Metabolite structure | All data | F1 | F2 | F3 | F4 | F5 | F6 |
|---|---|---|---|---|---|---|---|
| 10-HYDROXYDECANOATE | 13668.00 | 11219.00 | 10171.00 | 2176.00 | 1228.00 | 1783.00 | |
| 12(13)-EpOME-[d4] | 77788.00 | 73835.00 | 71410.00 | 165.00 | 19.00 | 653.00 | |
| 13-OxoODE | 400368.00 | 339549.00 | 280163.00 | 4281.00 | 4609.00 | 4536.00 | |
| 1,4-Chrysenequinone | 2060.00 | 2661.00 | 2070.00 | 1743.00 | 22263.00 | 16351.00 | |
| 1-(4-Methoxyphenyl)-1-pentene-3-one | 4788.00 | 1260.00 | 980.00 | 452.00 | 78.00 | 193.00 | |
| 1,5-Naphthalenediamine | 21483.00 | 17005.00 | 17552.00 | 230414.00 | 205309.00 | 192822.00 | |
| 1,6-ANHYDRO-B-GLUCOSE | 9522.00 | 9247.00 | 9260.00 | 140776.00 | 120677.00 | 129013.00 | |
| 17beta-Trenbolone | 840039.00 | 1275764.00 | 259382.00 | 426.00 | 681.00 | 762.00 | |
| 1,7-Dimethyluric acid | 964.00 | 1024.00 | 761.00 | 17.00 | 324.00 | 120.00 | |
| 17-Methyltestosterone | 22910.00 | 23324.00 | 16545.00 | 334515.00 | 307816.00 | 297476.00 | |
| 18:1(2S-OH) Ceramide | 307929.00 | 253358.00 | 298191.00 | 86420.00 | 96705.00 | 92070.00 | |
| 1-Dodecyl-2-pyrrolidinone | 13.00 | 81.00 | 9.00 | 299.00 | 3776.00 | 97.00 | |
| 1-heptadecanoyl-2-hydroxy-sn-glycero-3-phosphocholine | 68416.00 | 86823.00 | 108933.00 | 812264.00 | 605832.00 | 659212.00 | |
| 1H-indole-3-carboxylic acid | 453.00 | 3453.00 | 5718.00 | 1727.00 | 2139.00 | 1884.00 | |
| 1-Lauroyl-2-hydroxy-sn-glycero-3-phosphocholine | 1033.00 | 1538.00 | 2168.00 | 54.00 | 93.00 | 86.00 | |
| 1-METHYLNICOTINAMIDE | 72450.00 | 69008.00 | 62794.00 | 3748.00 | 1825.00 | 3789.00 | |
| 1-Methylxanthine | 1188.00 | 2412.00 | 2958.00 | 1061.00 | 475.00 | - | |
| 1-OLEOYL-RAC-GLYCEROL | 31887.00 | 22099.00 | 18344.00 | 2257.00 | 2010.00 | 2956.00 | |
| 1-palmitoyl-2-hydroxy-sn-glycero-3-phosphoethanolamine | 743437.00 | 584033.00 | 547698.00 | 425251.00 | 338169.00 | 369317.00 | |
| 1-pentadecanoyl-2-hydroxy-sn-glycero-3-phosphocholine | 136400.00 | 37532.00 | 45605.00 | 1365.00 | 678.00 | 1338.00 | |
| 1-Stearoyl-sn-glycero-3-phosphocholine | 2264.00 | 1630.00 | 1355.00 | 2982.00 | 2804.00 | 2780.00 | |
| 2^,2^-Difluoro-2^-deoxyuridine | 1930.00 | 1340.00 | 1580.00 | 581.00 | 688.00 | 644.00 | |
| 2,2^-(Tetradecylimino)diethanol | 1422.00 | 748.00 | 584.00 | 710.00 | 211.00 | 812.00 | |
| [2,3-di(heptadecanoyloxy)propyl] 2-(trimethylazaniumyl)ethyl... | 2669.00 | 35250.00 | 9079.00 | 3783616.00 | 3176551.00 | 3303374.00 | |
| 2-(3-Hydroxycyclohexyl)-5-(2-methyl-2-octanyl)phenol | 1148.00 | 542.00 | 907.00 | 88.00 | 245.00 | 31.00 | |
| 2,4,6-Trimethylpyridine | 4333.00 | 5672.00 | 4660.00 | 2398.00 | 678.00 | 414.00 | |
| 2-((4R)-4-((3R,5R,6S,7R,9S,10R,13R,14S,17R)-3,6,7-trihydroxy... | 365071.00 | 278553.00 | 293247.00 | 1287405.00 | 1113156.00 | 1130837.00 | |
| 2-((4R)-4-((3R,5S,7R,9S,10S,13R,14R,17R)-3,7,14-trihydroxy-1... | 14118.00 | 10592.00 | 8337.00 | 807643.00 | 656509.00 | 743968.00 | |
| 2-((4R)-4-((3R,5S,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimeth... | 198051.00 | 159733.00 | 168765.00 | 702992.00 | 600577.00 | 605754.00 | |
| 2-((4R)-4-((5R,7R,8R,9S,10S,12S,13R,17R)-7,12-dihydroxy-10,1... | 108660.00 | 78615.00 | 92172.00 | 955841.00 | 838922.00 | 867314.00 | |
| 2,6-di-tert-Butylphenol | 17141.00 | 13677.00 | 18623.00 | 4213.00 | 3360.00 | 3934.00 | |
| 2,6-Xylidine | 5888.00 | 3007.00 | 1729.00 | 4131.00 | 2391.00 | 1852.00 | |
| 2,8-Quinolinediol | 5315532.00 | 4036717.00 | 4539674.00 | 2613.00 | 2878.00 | 2479.00 | |
| 2,8-Quinolinediol; AIF; CE10; CorrDec | 2150.00 | 3088.00 | 2034.00 | 230.00 | 504.00 | 478.00 | |
| 2-acetoxy-4-pentadecylbenzoic acid | 932.00 | 2161.00 | 304.00 | 294.00 | 58.00 | 100.00 | |
| 2-Acetylpyrazine | 329660.00 | 297712.00 | 293042.00 | 5893.00 | 3473.00 | 3723.00 | |
| 2-Aminoacetophenone | 3102.00 | 10628.00 | 13036.00 | 109690.00 | 91250.00 | 98478.00 | |
| 2-Aminobenzoic acid | 620.00 | 1798.00 | 765.00 | 8990.00 | 7878.00 | 7788.00 | |
| 2-Aminocaprylic acid; LC-tDDA; CE20 | 72.00 | 583.00 | - | 14.00 | 249.00 | 3.00 | |
| 2-Aminoethanethiol | 802.00 | 670.00 | 780.00 | 2077.00 | 2387.00 | 314.00 | |
| 2-Benzoxazolinone | 2341.00 | 602.00 | 1440.00 | 637.00 | 139.00 | 171.00 | |
| 2-Deoxyadenosine; LC-tDDA; CE10 | 80617.00 | 78382.00 | 94169.00 | 730.00 | 306.00 | 34.00 | |
| 2-ETHYL-3-HYDROXY-4H-PYRAN-4-ONE | 169.00 | 382.00 | 102.00 | 27.00 | 835.00 | 48.00 | |
| 2-Hydroxybenzonitrile | 2498.00 | 2893.00 | 2511.00 | 77772.00 | 72120.00 | 74315.00 | |
| 2-Hydroxychalcone | 71723.00 | 57302.00 | 53559.00 | 53.00 | 77.00 | 61.00 | |
| 2-HYDROXYPYRIDINE | 7821.00 | 10260.00 | 6932.00 | 17257.00 | 22607.00 | 14395.00 | |
| 2-Hydroxyquinoline | 163102.00 | 126230.00 | 125332.00 | 2266.00 | 2446.00 | 2611.00 | |
| 2-methoxy-4-pentadecylbenzoic acid | 18952.00 | 17113.00 | 15655.00 | 248.00 | 439.00 | 59.00 | |
| 2-Methylindole | 3032.00 | 1844.00 | 2331.00 | 1300.00 | 11403.00 | 7567.00 | |
| 2-Methylpyrrolidine | 8295.00 | 6454.00 | 7474.00 | 4267.00 | 3539.00 | 4389.00 | |
| 2-Naphthalenol | 269.00 | 357.00 | 191.00 | 126.00 | 599.00 | 331.00 | |
| 2-Naphthylamine | 2342.00 | 1809.00 | 1645.00 | 1518.00 | 17472.00 | 12041.00 | |
| 2-Oxindole; LC-tDDA; CE10 | 1645.00 | 1570.00 | 1061.00 | 458.00 | 338.00 | 347.00 | |
| 2-Oxindole; LC-tDDA; CE20 | 106395.00 | 87457.00 | 84374.00 | 427.00 | 6403.00 | 6672.00 | |
| 2-Oxindole; LC-tDDA; CE40 | 16843.00 | 87056.00 | 84248.00 | 6831.00 | 6403.00 | 6722.00 | |
| (2-oxo-2,3-dihydro-1H-indol-3-yl)acetic acid | 1622552.00 | 1240119.00 | 1227053.00 | 946.00 | 304.00 | 463.00 | |
| 2-PHENYLACETAMIDE | 868.00 | 808.00 | 1908.00 | 643.00 | 2126.00 | 708.00 | |
| 2-Phenylglycine [M+H-NH2]+; AIF; CE0; MS2Dec | 826.00 | 146.00 | 112.00 | 167.00 | 401.00 | 103.00 | |
| 2-Phenylglycine [M+H-NH2]+; AIF; CE10; MS2Dec | 742.00 | 126.00 | 24.00 | 489.00 | 174.00 | 882.00 | |
| 2-Piperidone | 80368.00 | 64451.00 | 71703.00 | 2192.00 | 4240.00 | 3534.00 | |
| 2-Pyrrolidinone; AIF; CE10; CorrDec | 36979.00 | 24458.00 | 25653.00 | 3826.00 | 4201.00 | 8427.00 | |
| 2-QUINOLINECARBOXYLIC ACID | 644784.00 | 514122.00 | 516625.00 | 819.00 | 330.00 | 412.00 | |
| 2-((R)-4-((3R,5S,7S,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,... | 33645.00 | 24876.00 | 26417.00 | 82036.00 | 64212.00 | 68564.00 | |
| (2S,3S,4S,5R,6R)-6-(((3R,5R,7R,8R,9S,10S,12S,13R,14S,17R)-17... | 242.00 | 2452.00 | 1821.00 | - | - | - | |
| (2S,3S,4S,5R,6R)-6-(((3R,5R,8R,9S,10S,12S,13R,14S,17R)-17-((... | 1639.00 | 702.00 | 742.00 | 624.00 | 188.00 | 263.00 | |
| (2S,3S,4S,5R,6R)-6-[[(3S,4S,6aR,6bS,8aR,9R,12aS,14bR)-9-hydr... | 316818.00 | 246273.00 | 289086.00 | 309.00 | 484.00 | 576.00 | |
| (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(5-hydroxy-4-oxo-2-pheny... | 1174.00 | 2.00 | 71.00 | 58.00 | 10.00 | 86.00 | |
| 3,4-Dihydroxy-L-phenylalanine | 69425.00 | 69532.00 | 68688.00 | 48.00 | 602.00 | 615.00 | |
| 3-[4-methyl-1-(2-methylpropanoyl)-3-oxocyclohexyl]butanoic a... | 478777.00 | 383495.00 | 429623.00 | 237.00 | 54.00 | 506.00 | |
| 3-Aminophenol; LC-tDDA; CE10 | 438.00 | 1269.00 | 704.00 | 277.00 | 338.00 | 1431.00 | |
| 3^-Dephosphocoenzyme A | 382.00 | 670.00 | 340.00 | 144165.00 | 25155.00 | 28969.00 | |
| 3-Formylindole | 5672.00 | 6009.00 | 7428.00 | 450115.00 | 81321.00 | 391129.00 | |
| 3?-Hydroxy-12 Ketolithocholic Acid | 588969.00 | 1229900.00 | 1123142.00 | 1674.00 | 1681.00 | 1681.00 | |
| 3-HYDROXY-2-METHYL-4-PYRONE | 12996.00 | 8799.00 | 7485.00 | 2549.00 | 7184.00 | 7448.00 | |
| 3?-Hydroxy-7 Ketolithocholic Acid | 3894002.00 | 3397260.00 | 3293550.00 | 88337.00 | 87069.00 | 74811.00 | |
| 3-HYDROXYBENZOIC ACID | 12101.00 | 11912.00 | 11727.00 | 1550.00 | 1054.00 | 731.00 | |
| 3-Indoleacrylic acid [M+H-H2O]+; AIF: CE0; MS2Dec | 595.00 | 243.00 | 202.00 | 589.00 | 755.00 | 769.00 | |
| 3-Ketocholanic Acid | 100391.00 | 84823.00 | 98788.00 | 12856.00 | 8215.00 | 8660.00 | |
| 3-METHYL-2-OXOBUTANOIC ACID | 675.00 | 817.00 | 654.00 | 34453.00 | 4448.00 | 4441.00 | |
| 3-METHYLHISTAMINE | 8369.00 | 8221.00 | 6996.00 | 1081.00 | 1383.00 | 1582.00 | |
| 3-Methylhistidine | 14055.00 | 10670.00 | 14299.00 | 10898.00 | 12989.00 | 20852.00 | |
| (3R,5R,7R,8S,9S,10S,12S,13R,14S,17R)-17-((R)-7-hydroxy-6-(hy... | 151087.00 | 118938.00 | 122389.00 | 322887.00 | 263618.00 | 285127.00 | |
| (3S,8S,9S,10R,13R,14S,17R)-17-((2R)-7-hydroxy-6-methylheptan... | 14195.00 | 10092.00 | 11671.00 | 95746.00 | 66883.00 | 76980.00 | |
| 4-(2,5-Diethoxy-4-nitrophenyl)morpholine | 7428.00 | 5866.00 | 5672.00 | 417.00 | 44.00 | 42.00 | |
| 4-(3-hydroxybutyl)-3,5,5-trimethylcyclohex-3-en-1-ol | 36820.00 | 37587.00 | 34942.00 | 36.00 | 44.00 | 66.00 | |
| 4,4^-Sulfonyldiphenol | - | 8.00 | 5.00 | 81.00 | 1.00 | - | |
| 4,6-Di-tert-butyl-m-cresol | 8658.00 | 5821.00 | 7910.00 | 3855.00 | 3296.00 | 3431.00 | |
| 4-Acetamidobutyric acid | 5532.00 | 4776.00 | 1240.00 | 798.00 | 913.00 | 1047.00 | |
| 4-ACETAMIDOPHENOL | 6228.00 | 3694.00 | 5512.00 | 135.00 | 354.00 | 1547.00 | |
| 4-AMINOBENZOIC ACID | 44410.00 | 36114.00 | 34420.00 | 10090.00 | 9587.00 | 9234.00 | |
| 4-AMINOBUTANOIC ACID | 14643.00 | 13501.00 | 13191.00 | 52418.00 | 66378.00 | 66076.00 | |
| 4-Aminohippuric acid; AIF; CE0; MS2Dec | 493.00 | 1016.00 | 635.00 | 65.00 | 619.00 | 155.00 | |
| 4-Androstene-3,17-dione | 4580.00 | 4327.00 | 4282.00 | 725.00 | 234.00 | 523.00 | |
| 4-Cholesten-3-one | 1238520.00 | 884091.00 | 1043584.00 | 4457.00 | 4948.00 | 5002.00 | |
| 4-(Dimethylamino)phenylthiocyanate | 9452.00 | 5486.00 | 5450.00 | 8901.00 | 7864.00 | 8604.00 | |
| 4-GUANIDINOBUTANOATE | 6486.00 | 1566.00 | 1519.00 | 32481.00 | 8822.00 | 8132.00 | |
| 4-Hexyloxyaniline | 11952.00 | 8874.00 | 8514.00 | 36.00 | 292.00 | 259.00 | |
| 4-Hexylresorcinol | 937.00 | 944.00 | 984.00 | 2125.00 | 1033.00 | 584.00 | |
| 4-Hydroxy-6-methyl-2-pyrone | 7871.00 | 10034.00 | 6614.00 | 2624.00 | 2136.00 | 7804.00 | |
| 4-hydroxybenzaldehyde | 96.00 | 53.00 | 645.00 | 264.00 | - | - | |
| 4-Hydroxybenzoylcholine | 23321.00 | 26885.00 | 30190.00 | 23129.00 | 19471.00 | 20768.00 | |
| 4-Hydroxyhippuric acid | 495.00 | 268.00 | 198.00 | 84.00 | 9.00 | 76.00 | |
| 4-HYDROXYPHENYL ACETIC ACID | 12302.00 | 10358.00 | 9683.00 | 403.00 | 171.00 | 300.00 | |
| 4-Hydroxyquinoline | 5893.00 | 919.00 | 3484.00 | 436.00 | 7636.00 | 7367.00 | |
| 4-Methoxyaniline | 2759.00 | 2915.00 | 7177.00 | 2138.00 | 1096.00 | 839.00 | |
| 4-Methyl-5-thiazoleethanol | 1894.00 | 3148.00 | 5130.00 | 1894.00 | 1841.00 | 1533.00 | |
| 4-Methylcoumarin | 257.00 | 583.00 | 741.00 | 188.00 | 386.00 | 250.00 | |
| 4-Methylpyrimidine | 44075.00 | 40824.00 | 38826.00 | 4928.00 | 6688.00 | 6629.00 | |
| 4-Nonylphenol | 14065.00 | 14967.00 | 17224.00 | 10958.00 | 7370.00 | 7357.00 | |
| 4-OHE2-1-N7Gua | 48320.00 | 46552.00 | 48470.00 | 1212.00 | 531.00 | 524.00 | |
| 4-Pyridoxic acid | 111830.00 | 97913.00 | 93310.00 | 60783.00 | 55303.00 | 58633.00 | |
| 4-Quinolinecarboxylic acid | 14421.00 | 9172.00 | 8452.00 | 1616.00 | 1726.00 | 796.00 | |
| (4R)-3-methylidene-4-[(E)-3-methyl-4-(4-methyl-5-oxooxolan-2... | 2225.00 | 491.00 | 386.00 | 27.00 | 125.00 | 9.00 | |
| (4R)-4-((1R,3S,5S,7R,9S,10S,13R,14S,17R)-1,3,7-trihydroxy-10... | 2000969.00 | 1871779.00 | 1875168.00 | 102013.00 | 100000.00 | 96862.00 | |
| (4R)-4-((3R,5R,6S,7R,9S,10R,12S,13R,14S,17R)-3,6,7,12-tetrah... | 1443695.00 | 1168711.00 | 1187850.00 | 414737.00 | 382085.00 | 381874.00 | |
| (4R)-4-((3R,5R,6S,7R,9S,10R,12S,13R,17R)-3,6,7,12-tetrahydro... | 319130.00 | 252852.00 | 280885.00 | 2477.00 | 2112.00 | 628.00 | |
| (4R)-4-((3R,5R,6S,7R,9S,10R,13R,14S,17R)-3,6,7-trihydroxy-10... | 5577006.00 | 5250905.00 | 5122796.00 | 2707962.00 | 2702514.00 | 2698779.00 | |
| (4R)-4-((3R,5R,6S,7S,9S,10R,13R,17R)-3,6,7-trihydroxy-10,13-... | 567871.00 | 454261.00 | 423869.00 | 287.00 | 155.00 | 340.00 | |
| (4R)-4-((3R,5S,7S,8R,9S,10S,12R,13R,17R)-3,7,12-trihydroxy-1... | 32347.00 | 37424.00 | 39442.00 | 62429.00 | 51016.00 | 75497.00 | |
| (4R)-4-((3R,5S,7S,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-... | 56438.00 | 50149.00 | 57001.00 | 558.00 | 1861.00 | 1438.00 | |
| (4R)-4-((3S,5R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-... | 3924978.00 | 3475548.00 | 3547088.00 | 2217.00 | 1770.00 | 2132.00 | |
| (4R)-4-((5S,7R,9S,10S,13R,14S,17R)-7-hydroxy-10,13-dimethyl-... | 2278894.00 | 1886664.00 | 2019018.00 | 2457.00 | 1188.00 | 2129.00 | |
| (4S,4aR,8aS)-4-[(3R)-3-hydroxy-3-methylpent-4-enyl]-3,4a,8,8... | 59395.00 | 54653.00 | 57086.00 | 84817.00 | 92423.00 | 49614.00 | |
| (4S,5Z,6S)-4-(2-methoxy-2-oxoethyl)-5-[2-[(E)-3-phenylprop-2... | 2454.00 | 597.00 | 531.00 | 979.00 | 648.00 | 287.00 | |
| 5,6-Benzoflavone | 258.00 | 555.00 | 377.00 | 385.00 | 230.00 | 575.00 | |
| 5-AMINOLEVULINIC ACID | 41507.00 | 35735.00 | 33387.00 | 413.00 | 911.00 | 88.00 | |
| 5-Aminovaleric acid betaine | 1603042.00 | 1597288.00 | 1584659.00 | 192856.00 | 162319.00 | 163547.00 | |
| 5?-CHOLANIC ACID-3?_ 6?_7?-TRIOL | 249247.00 | 209018.00 | 229297.00 | 13271.00 | 13603.00 | 15185.00 | |
| 5?-CHOLANIC ACID-3?-OL-6_7-DIONE | 96391.00 | 86730.00 | 77126.00 | 233.00 | 159.00 | 800.00 | |
| 5-Cholesten-3-beta-7-alpha-diol | 105758.00 | 56222.00 | 59525.00 | 98787.00 | 135498.00 | 189061.00 | |
| 5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-[(2S,3R,4S,5S,6R)-... | 4342.00 | 4127.00 | 5445.00 | 5793.00 | 8383.00 | 7935.00 | |
| 5-hydroxyculmorin | 1014.00 | 595.00 | 817.00 | 436.00 | 524.00 | 412.00 | |
| 5-HYDROXYINDOLE | 2193.00 | 2140.00 | 1273.00 | 738.00 | 422.00 | 808.00 | |
| 5-Hydroxyindole-3-acetic acid | 15424.00 | 13292.00 | 13801.00 | 12973.00 | 12740.00 | 11914.00 | |
| 5-Hydroxyindoleacetic acid | 3278.00 | 3071.00 | 3068.00 | 12739.00 | 1542.00 | 1337.00 | |
| 5-methoxyindole-3-carbaldehyde | 3007.00 | 1201.00 | 1778.00 | 182.00 | 832.00 | 800.00 | |
| 5-Methylcytosine | 35000.00 | 39281.00 | 32679.00 | 9732.00 | 12972.00 | 19126.00 | |
| 5-OHMe-Ur | 11776.00 | 10129.00 | 12474.00 | 24590.00 | 24812.00 | 15380.00 | |
| 5-OXO-D-PROLINE | 1338.00 | 555.00 | 642.00 | 4411.00 | 2350.00 | 3051.00 | |
| 5-S-Methylthioadenosine; LC-tDDA; CE30 | 1813.00 | 1499.00 | 1858.00 | 15255.00 | 1459.00 | 1586.00 | |
| 5-VALEROLACTONE | 319349.00 | 279601.00 | 299112.00 | 2321.00 | 4884.00 | 4088.00 | |
| 6-Acetyl-1,1,2,4,4,7-hexamethyltetralin | 18249.00 | 13657.00 | 14421.00 | 61203.00 | 52184.00 | 56087.00 | |
| 6-beta-Hydroxycortisol | 7861.00 | 5191.00 | 3408.00 | 268.00 | 357.00 | 36.00 | |
| [6]-Gingerol | 615.00 | 715.00 | 422.00 | 699.00 | 547.00 | 349.00 | |
| 6-methoxyquinoline | 33395.00 | 21105.00 | 29529.00 | 20041.00 | 19357.00 | 18660.00 | |
| 6-Methylflavonol | 63012.00 | 52746.00 | 54491.00 | 162.00 | 99.00 | - | |
| 6-Quinolinol | 11927.00 | 10092.00 | 7530.00 | 6227.00 | 7825.00 | 6200.00 | |
| (6R)-2-(hydroxymethyl)-6-((3R,5R,7R,8R,9S,10S,12S,13R,14S,17... | 176487.00 | 161091.00 | 163116.00 | 405325.00 | 342916.00 | 364543.00 | |
| 7-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3... | 37323.00 | 24317.00 | 22923.00 | 148.00 | 41.00 | 84.00 | |
| 7,8-dimethylalloxazine (lumichrome) | 312344.00 | 266089.00 | 247998.00 | 32594.00 | 32449.00 | 32781.00 | |
| 7-Diethylamino-4-methylcoumarin | 19701.00 | 11443.00 | 10800.00 | - | 4.00 | 269.00 | |
| 7-Hydroxymitragynine | 591398.00 | 503160.00 | 519560.00 | 67.00 | 11.00 | 39.00 | |
| 7-Methylguanine; LC-tDDA; CE20 | 14217.00 | 13470.00 | 33931.00 | 18424.00 | 17710.00 | 17632.00 | |
| 7-Oxocholesterol | 58505.00 | 53591.00 | 51175.00 | 6424.00 | 5240.00 | 4783.00 | |
| 8-[3-oxo-2-[(E)-pent-2-enyl]cyclopenten-1-yl]octanoic acid | 127338.00 | 98096.00 | 108238.00 | 1313.00 | 964.00 | 974.00 | |
| 8-Hydroxyquinoline | 96565.00 | 74898.00 | 76846.00 | 569.00 | 821.00 | 143.00 | |
| (8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-17-(2-hydroxyace... | 5496.00 | 23329.00 | 21722.00 | 197.00 | 154.00 | 1311.00 | |
| 9(10)-EpOME-[d4] | 48618.00 | 38073.00 | 59698.00 | 1847.00 | 845.00 | 1465.00 | |
| 9-HODE | 70134.00 | 63557.00 | 65314.00 | 545.00 | 960.00 | 733.00 | |
| 9-HOTrE | 54083.00 | 44318.00 | 44406.00 | 645.00 | 645.00 | 727.00 | |
| Acacetin | 19635.00 | 14542.00 | 19209.00 | 164.00 | 102.00 | 135.00 | |
| Acenapthylene | 4107.00 | 1325.00 | 699.00 | 500.00 | 447.00 | 431.00 | |
| Acetaminophen | 5737.00 | 4888.00 | 16953.00 | 5846.00 | 4107.00 | 3997.00 | |
| Acetaminophen glucuronide | 704.00 | 565.00 | 1394.00 | 213.00 | 643.00 | 898.00 | |
| Acetylcarnitine | 69342.00 | 67804.00 | 70053.00 | 27192.00 | 25686.00 | 28233.00 | |
| Acetyl tributyl citrate | 198953.00 | 196171.00 | 192936.00 | 158338.00 | 133490.00 | 139449.00 | |
| Adenine | 553338.00 | 518547.00 | 526770.00 | 4382.00 | 3846.00 | 1791.00 | |
| Adenosine | 237880.00 | 225206.00 | 234714.00 | 24965.00 | 21235.00 | 13501.00 | |
| Adenosine 5^-monophosphate | 5009.00 | 6146.00 | 6859.00 | 100781.00 | 59332.00 | 76831.00 | |
| Adenosine_Diphosphate | 521.00 | 702.00 | 225.00 | 1395.00 | 4448.00 | 1979.00 | |
| Adenosine monophosphate (AMP) | 1096.00 | 1378.00 | 1593.00 | 37802.00 | 444030.00 | 422069.00 | |
| Adipoyl-carnitine; LC-tDDA; CE10 | 3478.00 | 2262.00 | 945.00 | 157.00 | 157.00 | 146.00 | |
| Adipoyl-carnitine; LC-tDDA; CE20 | 8672.00 | 9119.00 | 10099.00 | 47714.00 | 621843.00 | 634336.00 | |
| Adipoyl-carnitine; LC-tDDA; CE40 | 2948.00 | 2426.00 | 5597.00 | 14323.00 | 6984.00 | 7989.00 | |
| Albuterol | 418.00 | 438.00 | 502.00 | 120.00 | 144.00 | 156.00 | |
| Alliin; LC-tDDA; CE20 | 3427.00 | 2104.00 | 1958.00 | 1260.00 | - | 62.00 | |
| ALPHA-D-GLUCOSE 1-PHOSPHATE | 343.00 | 1248.00 | 360.00 | 108383.00 | 86330.00 | 102279.00 | |
| alpha-Glutamyl-Tyrosine | 23846.00 | 21624.00 | 16821.00 | 18926.00 | 17559.00 | 17193.00 | |
| alpha-Hederin | 32.00 | 16.00 | 88.00 | - | 2.00 | 4.00 | |
| alpha-Linolenoyl Ethanolamide | 94975.00 | 77176.00 | 83198.00 | 1833.00 | 3019.00 | 3030.00 | |
| alpha-TOCHOPHERYL ACETATE | 1461446.00 | 1565132.00 | 1631636.00 | 644.00 | 1210.00 | 3874.00 | |
| AM580 | 41303.00 | 39023.00 | 41706.00 | 565.00 | 486.00 | 666.00 | |
| Anabasamine | 31063.00 | 9336.00 | 7273.00 | 1525.00 | 592.00 | 256.00 | |
| ANDROSTERONE | 1956.00 | 1248.00 | 513.00 | 256.00 | 271.00 | 60.00 | |
| Aniline | 377.00 | 1298.00 | 2305.00 | 2949.00 | 38457.00 | 38294.00 | |
| Aniline; AIF; CE30; CorrDec | 1222.00 | 1538.00 | 2359.00 | 43460.00 | 39098.00 | 39480.00 | |
| ANTHRANILATE | 195.00 | 910.00 | 402.00 | 1694.00 | 5550.00 | 1144.00 | |
| Arachidonoyl-carnitine; LC-tDDA; CE30 | 53754.00 | 40737.00 | 41186.00 | 385890.00 | 258135.00 | 303422.00 | |
| Arachidonoyl Ethanolamide | 187336.00 | 143958.00 | 161819.00 | 31549.00 | 32952.00 | 33464.00 | |
| Aspartate | 8953.00 | 7420.00 | 7386.00 | 30404.00 | 35076.00 | 31721.00 | |
| ASP-PHE | 6881.00 | 4362.00 | 4319.00 | 872.00 | 1120.00 | 1208.00 | |
| Atenolol | 3331.00 | 3408.00 | 5520.00 | 15.00 | 177.00 | 415.00 | |
| Atenolol acid | 6258.00 | 2972.00 | 6472.00 | 171.00 | 62.00 | 64.00 | |
| Atractylenolide III | 1428.00 | 1279.00 | 629.00 | 153.00 | 278.00 | 97.00 | |
| Atrazine-desethyl | 822.00 | 2004.00 | 1163.00 | 8356.00 | 5115.00 | 5882.00 | |
| Azacyclotridecan-2-one | 7677.00 | 10667.00 | 9307.00 | 4748.00 | 2926.00 | 6295.00 | |
| Azelaic acid | 9970.00 | 6848.00 | 7626.00 | 109.00 | 196.00 | 358.00 | |
| Baicalin | 1254.00 | 1591.00 | 1635.00 | 1063.00 | 628.00 | 643.00 | |
| BENZALDEHYDE | 37844.00 | 7250.00 | 30630.00 | 4171.00 | 182496.00 | 175938.00 | |
| Benzoic acid | 37407.00 | 36777.00 | 33353.00 | 40891.00 | 37547.00 | 37329.00 | |
| Benzoylecgonine | 63487.00 | 76033.00 | 67043.00 | 33312.00 | 22591.00 | 24018.00 | |
| Benzyl-butyl-phthalate | 2376.00 | 5927.00 | 1877.00 | 6859.00 | 4076.00 | 5261.00 | |
| beta-Alanine | 3371.00 | 2413.00 | 2469.00 | 1111.00 | 10666.00 | 9875.00 | |
| BETAINE | 45548.00 | 34837.00 | 41932.00 | 48735.00 | 95814.00 | 84227.00 | |
| Betaine; CE30 | 16391.00 | 53949.00 | 34029.00 | 66879.00 | 52843.00 | 76388.00 | |
| Bilirubin | 404772.00 | 290993.00 | 293560.00 | 152643.00 | 138050.00 | 133148.00 | |
| Biliverdin | 1019.00 | 609.00 | 1289.00 | 3417.00 | 3779.00 | 3289.00 | |
| Biotin | 21823.00 | 16944.00 | 18352.00 | 2942.00 | 2696.00 | 2413.00 | |
| Bis[2-(2-butoxyethoxy)ethyl] hexandioate | 2480.00 | 743.00 | 770.00 | - | - | 10.00 | |
| Bis(2-ethylhexyl)phosphate | - | 973.00 | 332.00 | 290.00 | 1054.00 | - | |
| Bufalin | 5877.00 | 3678.00 | 5016.00 | 2382.00 | 679.00 | 1466.00 | |
| Buspirone | 9430.00 | 10347.00 | 6185.00 | 542.00 | 370.00 | 716.00 | |
| BUTANAL | 12562.00 | 12366.00 | 10995.00 | 25968.00 | 22956.00 | 20909.00 | |
| Butyryl-carnitine; AIF; CE10; CorrDec | 3925.00 | 2502.00 | 2844.00 | 18837.00 | 11486.00 | 11796.00 | |
| C16 Lactosyl Ceramide (d18:1/16:0) | 1843.00 | 1492.00 | 833.00 | 7109.00 | 2858.00 | 2240.00 | |
| C17_Sphingosine | 15964.00 | 11352.00 | 11010.00 | 16364.00 | 16358.00 | 15246.00 | |
| CAFFEINE | 450.00 | 737.00 | 1146.00 | 413.00 | 310.00 | 263.00 | |
| Caffeoylcholine | 3288.00 | 2122.00 | 2646.00 | 4282.00 | 3087.00 | 3327.00 | |
| CARNITINE | 135266.00 | 142566.00 | 133067.00 | 1423550.00 | 1306822.00 | 1310615.00 | |
| CARVONE | 6617.00 | 2713.00 | 1423.00 | 117.00 | 410.00 | 310.00 | |
| Catechol | 4.00 | 69.00 | 165.00 | 142.00 | 99.00 | 352.00 | |
| Ceramide (d18:1/16:0) | 1159864.00 | 830067.00 | 930753.00 | 457751.00 | 493626.00 | 475681.00 | |
| Ceramide (d18:1/18:0) | 62127.00 | 46261.00 | 59799.00 | 204229.00 | 201304.00 | 189204.00 | |
| Ceratodictyol | 109036.00 | 88444.00 | 102751.00 | 304.00 | 38.00 | 257.00 | |
| Cerebroside | 1926.00 | 1856.00 | 1534.00 | 6324.00 | 8034.00 | 2308.00 | |
| Cetirizine | 241.00 | 151.00 | 241.00 | 15.00 | 7.00 | - | |
| CHOLATE | 86161.00 | 67767.00 | 70476.00 | 934.00 | 519.00 | 456.00 | |
| Cholest-4,6-Dien-3-One | 3063.00 | 2786.00 | 4890.00 | 1639.00 | 1667.00 | 1413.00 | |
| Cholesterol | 451.00 | 83.00 | 718.00 | 358.00 | 199.00 | 1414.00 | |
| Cholic acid | 1719946.00 | 1513026.00 | 1566398.00 | 664061.00 | 671478.00 | 664510.00 | |
| CHOLINE | 593814.00 | 646237.00 | 604262.00 | 1370325.00 | 1354792.00 | 1373832.00 | |
| Chrysoeriol | 13241.00 | 11363.00 | 10542.00 | 253.00 | 504.00 | 51.00 | |
| C.I. Basic Red 9 | 1036.00 | 549.00 | 837.00 | 168.00 | - | 20.00 | |
| CINNAMIC ACID | 92207.00 | 65128.00 | 66415.00 | 605.00 | 323.00 | 818.00 | |
| Citalopram | 2522.00 | 1181.00 | 929.00 | 108.00 | 59.00 | 64.00 | |
| Citrinin | 18538.00 | 17227.00 | 11068.00 | 787.00 | 435.00 | 260.00 | |
| Coniferaldehyde | 15353.00 | 12311.00 | 13140.00 | 2432.00 | 971.00 | 1099.00 | |
| Corticosterone | 5606.00 | 803.00 | 752.00 | 32572.00 | 30351.00 | 25952.00 | |
| Cortisone | 8263.00 | 2650.00 | 3091.00 | 99.00 | 233.00 | 261.00 | |
| (+)-Costunolide | 2258.00 | 2193.00 | 1621.00 | 8748.00 | 7202.00 | 7278.00 | |
| Cotinine | 5020.00 | 3990.00 | 5847.00 | 277.00 | 657.00 | 303.00 | |
| Coumaric acid (isomer of 189, 194) | 252.00 | 262.00 | 163.00 | 373.00 | 518.00 | 149.00 | |
| COUMARIN | 56747.00 | 42997.00 | 44126.00 | 188302.00 | 175978.00 | 169836.00 | |
| CREATINE | 76848.00 | 92955.00 | 82267.00 | 614162.00 | 568278.00 | 564140.00 | |
| CREATININE | 62.00 | 892.00 | 482.00 | 85.00 | 160.00 | 179.00 | |
| Crystal violet | 182514.00 | 145938.00 | 144039.00 | 460.00 | 256.00 | 464.00 | |
| Cucurbitacin I | 56001.00 | 49793.00 | 50766.00 | - | 312.00 | 111.00 | |
| Cyclo(Leu-Pro) | 3350.00 | 3216.00 | 2518.00 | 586.00 | 781.00 | 569.00 | |
| Cysteine | 172.00 | 267.00 | 129.00 | 77.00 | 204.00 | 140.00 | |
| Cysteinylglycine | 2494.00 | 3980.00 | 13061.00 | 283754.00 | 217797.00 | 208663.00 | |
| CYTOSINE | 9993.00 | 7562.00 | 12384.00 | 5803.00 | 5064.00 | 8249.00 | |
| Daidzein | 206137.00 | 220444.00 | 210257.00 | 25064.00 | 25042.00 | 22524.00 | |
| Daidzin | 178.00 | 105.00 | 208.00 | 2596.00 | 29272.00 | 27874.00 | |
| D-beta-Homophenylalanine | 12839.00 | 8746.00 | 11069.00 | 16409.00 | 15154.00 | 13134.00 | |
| Decaethylene glycol | 14546.00 | 10456.00 | 12057.00 | 4592.00 | 3495.00 | 3517.00 | |
| DECANOYLCARNITINE | 5730.00 | 1726.00 | 4874.00 | 13.00 | 28.00 | - | |
| Decanoyl-L-carnitine D3 | 2298860.00 | 2197844.00 | 2133852.00 | 2414821.00 | 2298410.00 | 2159768.00 | |
| DEET | 10750.00 | 8321.00 | 10293.00 | 384.00 | 887.00 | 1034.00 | |
| Deethylatrazine | 2172.00 | 1394.00 | 1375.00 | 3112.00 | 4559.00 | 2388.00 | |
| Dehydrocorydaline | 12569.00 | 11676.00 | 10824.00 | 249.00 | 100.00 | 105.00 | |
| Dehydrophytosphingosine (not validated, isomer of 1679) | 27759.00 | 20989.00 | 22678.00 | 860.00 | 622.00 | 452.00 | |
| Dehydrosalsolidine | 27683.00 | 28439.00 | 24658.00 | 210.00 | 72.00 | 176.00 | |
| delta4-Dafachronic acid | 71420.00 | 60803.00 | 69543.00 | 1592.00 | 555.00 | 348.00 | |
| delta-Aminolevulinic acid | 461.00 | 210.00 | 1101.00 | 330.00 | 142.00 | 815.00 | |
| DEOXYCARNITINE | 195684.00 | 188271.00 | 179440.00 | 38202.00 | 34142.00 | 43544.00 | |
| DEOXYCHOLATE | 924361.00 | 812514.00 | 804732.00 | 135128.00 | 111294.00 | 116124.00 | |
| deoxycholic acid | 846100.00 | 673119.00 | 670172.00 | 11114.00 | 10198.00 | 10480.00 | |
| Deoxykhivorin | 130135.00 | 91030.00 | 111906.00 | 563.00 | 358.00 | 340.00 | |
| DEP_178.1226_15.3 | 4293.00 | 4682.00 | 4035.00 | 1700.00 | 3077.00 | 2392.00 | |
| DErySphingosine | 8810.00 | 8694.00 | 15792.00 | 23382.00 | 46419.00 | 42737.00 | |
| DG(20:4(5Z,8Z,11Z,14Z)/0:0/20:4(5Z,8Z,11Z,14Z)) (d5) | 58093.00 | 40924.00 | 38717.00 | 40088.00 | 45554.00 | 39978.00 | |
| DG(20:5/0:0/20:5) (d5) | 6587.00 | 6490.00 | 12801.00 | 27843.00 | 25389.00 | 29071.00 | |
| dG-C8-4-CA | 152.00 | 804.00 | 472.00 | 72143.00 | 57772.00 | 51812.00 | |
| D-(+)-Glucosamine | 3881.00 | 2910.00 | 3005.00 | 573.00 | 226.00 | 694.00 | |
| Diaveridine | 2006.00 | 873.00 | 2204.00 | 580.00 | 931.00 | 1062.00 | |
| Diazepam | 373.00 | 47.00 | 31.00 | 29.00 | 10.00 | 53.00 | |
| Dibucaine | 4498.00 | 1021.00 | 1701.00 | 332.00 | 147.00 | 294.00 | |
| dibutyladipate | 7669.00 | 8031.00 | 10516.00 | 5468.00 | 6479.00 | 4129.00 | |
| Dibutylphthalate | 53607.00 | 69827.00 | 43933.00 | 80915.00 | 17803.00 | 88686.00 | |
| Dicyclohexylurea | 3017.00 | 2165.00 | 1078.00 | 2758.00 | 2096.00 | 1251.00 | |
| Diethyl-phthalate | 1436.00 | 1060.00 | 1222.00 | 1534.00 | 1415.00 | 1338.00 | |
| Diethyltoluamide | 5987.00 | 5604.00 | 6363.00 | 2122.00 | 1105.00 | 1619.00 | |
| Dihydrobiopterin | 13467.00 | 9765.00 | 10834.00 | 33835.00 | 28966.00 | 20624.00 | |
| Diisobutyl phthalate | 10349.00 | 4786.00 | 22131.00 | 8304.00 | 2248.00 | 6932.00 | |
| Dimethyl sulfoxide | 15069.00 | 9131.00 | 11997.00 | 8690.00 | 4756.00 | 4326.00 | |
| Dimethyl??sulfoxide | 10020.00 | 11008.00 | 10052.00 | 8138.00 | 16573.00 | 6439.00 | |
| dimethyl(tetradecyl)amine | 10691.00 | 9062.00 | 8573.00 | 3645.00 | 6404.00 | 7565.00 | |
| Di-n-butyl phthalate | 33510.00 | 29395.00 | 31105.00 | 18202.00 | 19367.00 | 22241.00 | |
| dioctylamine | - | - | 211.00 | 66.00 | 10.00 | 52.00 | |
| Dioctyl Phthalate | 5707.00 | 7134.00 | 6351.00 | 1341.00 | 2151.00 | 3079.00 | |
| Diosgenin | 75612.00 | 34559.00 | 53313.00 | 1696.00 | 1143.00 | 1622.00 | |
| Disulfiram | 3982.00 | 1468.00 | 4085.00 | 191.00 | 2355.00 | 2519.00 | |
| Divarinol | 1488.00 | 2174.00 | 1470.00 | 129.00 | 309.00 | 65.00 | |
| DL-Coniine | 747.00 | 836.00 | 488.00 | 6734.00 | 980.00 | 1367.00 | |
| Docosahexaenoic acid | 554344.00 | 408825.00 | 505195.00 | 2740440.00 | 2212381.00 | 2575293.00 | |
| Dodecanedioic acid | 10753.00 | 8103.00 | 5366.00 | 8678.00 | 6057.00 | 4899.00 | |
| DodeDecanoyl-L-carnitine D3 | 14099.00 | 13370.00 | 13317.00 | 11804.00 | 10703.00 | 11246.00 | |
| Dodemorph | 416615.00 | 370961.00 | 371401.00 | 657331.00 | 576942.00 | 556008.00 | |
| Dothiepin | 1679.00 | 1972.00 | 1309.00 | 42.00 | 139.00 | 28.00 | |
| D-ribo-Phytosphingosine | 624103.00 | 452614.00 | 491364.00 | 23917.00 | 21823.00 | 22981.00 | |
| Dropropizine | 278059.00 | 242744.00 | 220639.00 | 253.00 | 213.00 | 77.00 | |
| D-sphingosine | 26675.00 | 14507.00 | 29301.00 | 21851.00 | 8878.00 | 9116.00 | |
| (E,6S)-7-hydroxy-2-methyl-6-[(10S,13S,14S,17S)-4,4,10,13,14-... | 588446.00 | 459282.00 | 466691.00 | 5713.00 | 3838.00 | 5225.00 | |
| Ecgonine | 37614.00 | 35713.00 | 34880.00 | 94754.00 | 85001.00 | 97733.00 | |
| Ecgonine-methyl-ester (EME) | 476.00 | 1077.00 | 366.00 | 475.00 | 734.00 | 599.00 | |
| ELAIDIC ACID | 33957.00 | 25223.00 | 27766.00 | 71709.00 | 63295.00 | 20491.00 | |
| Enterolactone | 76584.00 | 77492.00 | 72425.00 | 1118.00 | 815.00 | 785.00 | |
| Epigallocatechin | 6814.00 | 20197.00 | 21693.00 | 1714728.00 | 1711821.00 | 2039886.00 | |
| Equol | 190.00 | 1127.00 | 324.00 | 1567.00 | 1640.00 | 1681.00 | |
| Ergothioneine; LC-tDDA; CE30 | 18432.00 | 13543.00 | 22437.00 | 350613.00 | 337245.00 | 362383.00 | |
| Erucamide | 2150099.00 | 2326980.00 | 1998594.00 | 2518586.00 | 2268540.00 | 2199234.00 | |
| Estriol | 3103.00 | 420.00 | 1355.00 | - | 171.00 | 353.00 | |
| Estrone | 45642.00 | 37042.00 | 35507.00 | 1180.00 | 91.00 | 105.00 | |
| Ethoxyquin | 260.00 | 229.00 | 54.00 | 313.00 | 56.00 | 656.00 | |
| Ethylparaben | 169537.00 | 134550.00 | 151711.00 | 3910.00 | 3994.00 | 597.00 | |
| Ethylrhoeagenine | 1266.00 | 1958.00 | 1668.00 | 1704.00 | 1093.00 | 1140.00 | |
| Etilefrine | 80.00 | 239.00 | 88.00 | 16437.00 | 15494.00 | 13710.00 | |
| Exemestane | 57221.00 | 43943.00 | 45122.00 | 466.00 | 70.00 | 259.00 | |
| FA 18:2+O | 51638.00 | 33695.00 | 83744.00 | 428.00 | 634.00 | 897.00 | |
| FA 18:3+1O | 489696.00 | 283130.00 | 271892.00 | 4296.00 | 3330.00 | 5864.00 | |
| Fenpropimorph | 1721.00 | 2500.00 | 1299.00 | 1941.00 | 2287.00 | 2535.00 | |
| FERULATE | 40938.00 | 38073.00 | 33811.00 | 1247.00 | 61.00 | 71.00 | |
| FERULIC ACID | 83743.00 | 62245.00 | 69234.00 | 613.00 | 401.00 | 315.00 | |
| Feruloylcholine | 3885.00 | 1679.00 | 2078.00 | 461.00 | 339.00 | 186.00 | |
| Flavin??adenine??dinucleotide | 339.00 | 280.00 | 372.00 | 41887.00 | 456456.00 | 474697.00 | |
| Flavone base + 3O, 2MeO, O-guaiacylglycerol | 57273.00 | 65993.00 | 63708.00 | 298.00 | 71.00 | 232.00 | |
| Flufenacet ESA | 71857.00 | 67298.00 | 62434.00 | 104.00 | 115.00 | 62.00 | |
| Flumequine | 21298.00 | 14376.00 | 14180.00 | 1592.00 | 993.00 | 386.00 | |
| Folic acid | 739.00 | 356.00 | 608.00 | 13948.00 | 8534.00 | 12863.00 | |
| Formononetin | 17828.00 | 19597.00 | 21119.00 | 2095.00 | 2351.00 | 2622.00 | |
| Gabapentin | 235.00 | 194.00 | 166.00 | 457.00 | 125.00 | 99.00 | |
| Galaxolidone | 27962.00 | 21029.00 | 16855.00 | 47.00 | 56.00 | 160.00 | |
| GAMMA-CAPROLACTONE | 1120.00 | 859.00 | 387.00 | 1564.00 | 1272.00 | 1794.00 | |
| gamma-Dodecalactone | 30138.00 | 22505.00 | 24763.00 | 60635.00 | 51424.00 | 47759.00 | |
| gamma-Glutamylleucine | 112387.00 | 85706.00 | 88091.00 | 25646.00 | 22708.00 | 21670.00 | |
| gamma-Glutamyltyrosine | 3705.00 | 3320.00 | 3547.00 | 19605.00 | 3639.00 | 17088.00 | |
| gamma-Undecalactone | 30882.00 | 26615.00 | 22762.00 | 33964.00 | 28703.00 | 23255.00 | |
| Genistein | 59927.00 | 54792.00 | 51797.00 | 3894.00 | 4922.00 | 2988.00 | |
| ??-Gentiobiose | 23625.00 | 88112.00 | 88625.00 | 82210.00 | 67220.00 | 76776.00 | |
| Gentisyl alcohol | 459.00 | 531.00 | 338.00 | 313.00 | 318.00 | 57.00 | |
| Glutamate | 56707.00 | 50281.00 | 50880.00 | 336657.00 | 281204.00 | 263333.00 | |
| Glutamic acid | 232172.00 | 241522.00 | 250307.00 | 1091805.00 | 1088067.00 | 1125520.00 | |
| Glutamic acid gamma methyl ester | 3149.00 | 13514.00 | 15313.00 | 10453.00 | 5042.00 | 7046.00 | |
| Glutamine | 13062.00 | 11248.00 | 12476.00 | 27517.00 | 19837.00 | 80911.00 | |
| Glutaryl-carnitine; AIF; CE10; MS2Dec | 21143.00 | 5711.00 | 18455.00 | 16152.00 | 8777.00 | 11674.00 | |
| Glutaryl-carnitine; AIF; CE30; CorrDec | 30484.00 | 28931.00 | 27269.00 | 444240.00 | 397554.00 | 420261.00 | |
| Glutathione oxidized | 4494.00 | 9139.00 | 6475.00 | 829976.00 | 720644.00 | 673577.00 | |
| Glutathione (reduced) | 8739.00 | 23405.00 | 18308.00 | 6568902.00 | 4927672.00 | 5378898.00 | |
| GLYCEROL-MYRISTATE | 24224.00 | 15400.00 | 14851.00 | - | - | - | |
| Glyceryl trioleate | 22.00 | 234.00 | 540.00 | 195.00 | 2158.00 | 5291.00 | |
| GLYCINE | 986.00 | 328.00 | 2108.00 | 1024.00 | 4351.00 | 3928.00 | |
| Glycitein | 187244.00 | 163959.00 | 182651.00 | 10731.00 | 9658.00 | 8781.00 | |
| GLYCOCHENODEOXYCHOLATE | 30292.00 | 12814.00 | 27197.00 | 377.00 | 298.00 | 1653.00 | |
| GLYCOCHENODEOXYCHOLIC ACID | 4046.00 | 5699.00 | 3190.00 | 352.00 | 321.00 | 616.00 | |
| Glycochenodeoxycholic acid; LC-tDDA; CE20 | 7182.00 | 5867.00 | 6217.00 | 199.00 | 271.00 | 266.00 | |
| Glycochenodeoxycholic acid; LC-tDDA; CE40 | 17173.00 | 15544.00 | 18726.00 | 763.00 | 843.00 | 328.00 | |
| Glycocholic Acid | 13771.00 | 26600.00 | 21248.00 | 1931.00 | 1523.00 | 843.00 | |
| Glycocyamine | 3295.00 | 6651.00 | 6642.00 | 15987.00 | 14952.00 | 6969.00 | |
| Glycodeoxycholic acid | 30473.00 | 26427.00 | 28239.00 | 1785.00 | 1415.00 | 996.00 | |
| Glycohyocholic acid | 13868.00 | 11311.00 | 10552.00 | 2.00 | 3.00 | 10.00 | |
| Glycolithocholic acid | 733.00 | 1034.00 | 1435.00 | 391.00 | 179.00 | 348.00 | |
| glycoursodeoxycholic acid | 12873.00 | 16682.00 | 16069.00 | 233.00 | 287.00 | 829.00 | |
| Glycylleucine | 35143.00 | 27689.00 | 28789.00 | 24614.00 | 21191.00 | 21480.00 | |
| Guanine | 183801.00 | 168824.00 | 176690.00 | 3787.00 | 4292.00 | 4167.00 | |
| Guanosine | 200827.00 | 187747.00 | 198771.00 | 26294.00 | 27458.00 | 26946.00 | |
| h_128_methyl_1_testosterone | 22.00 | 81.00 | 88.00 | 206.00 | 105.00 | 95.00 | |
| h_315_oxymetholone_m2 | 40884.00 | 39879.00 | 36059.00 | 432917.00 | 368394.00 | 390976.00 | |
| h_52_drostanolone-m | 5457.00 | 4157.00 | 3337.00 | 430471.00 | 346050.00 | 378562.00 | |
| h_60_epimethendiol | 7758.00 | 1029.00 | 1294.00 | 192518.00 | 151230.00 | 139955.00 | |
| Heliotrine N-oxide | 2841.00 | 2072.00 | 3415.00 | 2701.00 | 2533.00 | 3222.00 | |
| Heneicosanoic acid | 15490.00 | 7835.00 | 12283.00 | - | - | 303.00 | |
| Heptadecanoyl Ethanolamide | 28574.00 | 21058.00 | 21916.00 | 17929.00 | 15845.00 | 13436.00 | |
| Hetisine | 29993.00 | 25552.00 | 22570.00 | 14517.00 | 12606.00 | 14455.00 | |
| Hexaethylene glycol | 43854.00 | 39681.00 | 38500.00 | 74770.00 | 71011.00 | 65277.00 | |
| Hexanoyl-carnitine; AIF; CE30; CorrDec | 2419.00 | 1619.00 | 1750.00 | 1937.00 | 1849.00 | 1733.00 | |
| HEXANOYLGLYCINE | 62.00 | 61.00 | 116.00 | 9759.00 | 9046.00 | 8691.00 | |
| Hexanoyl-L-Carnitine | 340.00 | 115.00 | 146.00 | 17.00 | 76.00 | 247.00 | |
| Hexylamine | 355579.00 | 57604.00 | 20034.00 | 136215.00 | 173836.00 | 111398.00 | |
| HIPPURATE | 439.00 | 764.00 | 332.00 | 6442.00 | 4885.00 | 4086.00 | |
| Hippuric acid | 1446.00 | 1209.00 | 1455.00 | 1276.00 | 1013.00 | 1733.00 | |
| Histidine | 23435.00 | 13947.00 | 15810.00 | 176.00 | 883.00 | 654.00 | |
| HYDROXYPHENYLLACTIC ACID | 26444.00 | 21059.00 | 26925.00 | 1091.00 | 965.00 | 992.00 | |
| Hydroxyzine | 1800.00 | 4562.00 | 2771.00 | 196.00 | 229.00 | - | |
| hyocholic acid | 9538512.00 | 9001926.00 | 8765993.00 | 464160.00 | 461108.00 | 445873.00 | |
| hypericin | 6537.00 | 7271.00 | 5506.00 | 8538.00 | 7154.00 | 4214.00 | |
| Hypoxanthine | 2569.00 | 775.00 | 381.00 | 4472.00 | 35236.00 | 41309.00 | |
| Ibuprofen | 17025.00 | 12303.00 | 15468.00 | 557.00 | 318.00 | 266.00 | |
| Imidocarb | 6657.00 | 4202.00 | 4090.00 | 6960.00 | 5602.00 | 6590.00 | |
| INDOLE | 3272.00 | 14321.00 | 2173.00 | 138512.00 | 24417.00 | 123453.00 | |
| Indole-3-acetyl-L-alanine | 135.00 | 191.00 | 255.00 | 564.00 | 482.00 | 478.00 | |
| Indole-3-carbinol | 17968.00 | 19117.00 | 16176.00 | 2115.00 | 1290.00 | 4486.00 | |
| INDOLE-3-ETHANOL | 42448.00 | 28243.00 | 29825.00 | 1181.00 | 764.00 | 55.00 | |
| INDOLEACETALDEHYDE | 1620.00 | 1726.00 | 1058.00 | 1180.00 | 958.00 | 1412.00 | |
| INDOLEACETIC ACID | 48455.00 | 46148.00 | 41844.00 | 1197.00 | 1492.00 | 1033.00 | |
| INDOLELACTIC ACID | 9040.00 | 9624.00 | 6756.00 | 5697.00 | 7825.00 | 7774.00 | |
| INDOLEPROPIONIC ACID | 8190.00 | 6671.00 | 7035.00 | 765.00 | 735.00 | 257.00 | |
| Indoline | 14306.00 | 11844.00 | 12162.00 | 21666.00 | 20064.00 | 20622.00 | |
| Inosine | 206177.00 | 201173.00 | 204074.00 | 381346.00 | 358583.00 | 361551.00 | |
| Intermedine N-oxide | 882.00 | 923.00 | 828.00 | 14108.00 | 11815.00 | 11489.00 | |
| Isobutyryl-carnitine; LC-tDDA; CE10 | 3079.00 | 9898.00 | 3140.00 | 4151.00 | 671.00 | 1119.00 | |
| isochromophilone VI | 574.00 | 473.00 | 2405.00 | 18987.00 | 1277.00 | 1784.00 | |
| Isoleucine | 9282.00 | 8569.00 | 7509.00 | 5121.00 | 75158.00 | 59590.00 | |
| Isophorone | 35981.00 | 28067.00 | 28579.00 | 199.00 | 1359.00 | 294.00 | |
| Isorhynchophylline | 2215.00 | 2504.00 | 1369.00 | 1786.00 | 1653.00 | 1390.00 | |
| ISOVALERYLGLYCINE | 4842.00 | 3436.00 | 3557.00 | 2401.00 | 5564.00 | 7038.00 | |
| IS_PHENYLALANINE-2,3,4,5,6-D5 | 55368.00 | 25789.00 | 293818.00 | 5816.00 | 274685.00 | 287601.00 | |
| IS_TRYPTOPHAN-2,4,5,6,7-D5 | 1046743.00 | 846872.00 | 837282.00 | 1143831.00 | 1004177.00 | 981377.00 | |
| Ketamine | 505.00 | 234.00 | 96.00 | 282.00 | 58.00 | 62.00 | |
| Kynurenic acid | 25468.00 | 19411.00 | 17592.00 | 1712.00 | 26945.00 | 22098.00 | |
| Kynurenine | 12390.00 | 11439.00 | 10032.00 | 5089.00 | 254410.00 | 247838.00 | |
| LACTULOSE | 82553.00 | 27314.00 | 83359.00 | 138102.00 | 132295.00 | 134984.00 | |
| L-Arginine | 111012.00 | 95151.00 | 94803.00 | 9692.00 | 9339.00 | 8637.00 | |
| Lauramidopropyl betaine | 46054.00 | 34143.00 | 34129.00 | 60134.00 | 46473.00 | 45938.00 | |
| Lauric isopropanolamide | 40387.00 | 31705.00 | 33362.00 | 38.00 | 21.00 | 437.00 | |
| Laurocapram | 38593.00 | 33696.00 | 35061.00 | 32052.00 | 25415.00 | 26843.00 | |
| LAUROYLCARNITINE | 4418.00 | 4082.00 | 3556.00 | 362.00 | 493.00 | 581.00 | |
| Lauryl diethanolamide | 18609.00 | 16544.00 | 17197.00 | 8007.00 | 9442.00 | 9055.00 | |
| Lauryldiethanolamine | 95031.00 | 80369.00 | 99693.00 | 99489.00 | 82888.00 | 85857.00 | |
| Lauryldimethylamine Oxide | 15815.00 | 1205.00 | 1908.00 | 2195.00 | 549.00 | 1086.00 | |
| L-beta-Homoisoleucine | 2676.00 | 2130.00 | 1390.00 | 11449.00 | 9404.00 | 8978.00 | |
| L-beta-Homoleucine | 105078.00 | 102969.00 | 92296.00 | 108363.00 | 123130.00 | 110148.00 | |
| Leucine | 2401016.00 | 1909966.00 | 1945767.00 | 9228433.00 | 8729948.00 | 8734075.00 | |
| Leucine_Enkephalin | 3255701.00 | 2570328.00 | 2690921.00 | 2951079.00 | 2955862.00 | 2793929.00 | |
| Leucyl-Alanine; LC-tDDA; CE40 | 20278.00 | 15483.00 | 13766.00 | 8233.00 | 7441.00 | 6724.00 | |
| Leucyl-leucine; LC-tDDA; CE30 | 48871.00 | 36891.00 | 33454.00 | 4090.00 | 4412.00 | 4386.00 | |
| Leucyl-leucine; LC-tDDA; CE40 | 28803.00 | 21720.00 | 22487.00 | 8246.00 | 7046.00 | 5117.00 | |
| L-Glutamic acid | 53.00 | 71.00 | 94.00 | 933.00 | 1780.00 | 823.00 | |
| L-Glutamine | 441.00 | 1744.00 | 1028.00 | 1504.00 | 899.00 | 3008.00 | |
| L-Histidine | 19854.00 | 6906.00 | 19390.00 | 531166.00 | 523884.00 | 457226.00 | |
| Lidocaine-N-Oxide | 108807.00 | 91882.00 | 86284.00 | 23.00 | 33.00 | 27.00 | |
| Linoleic acid | 241554.00 | 196697.00 | 215284.00 | 9233.00 | 11130.00 | 9670.00 | |
| LINOLENIC ACID | 86555.00 | 63755.00 | 57589.00 | 26331.00 | 229511.00 | 22429.00 | |
| Linoleoyl Ethanolamide | 2348240.00 | 1782811.00 | 1879816.00 | 99443.00 | 100719.00 | 99421.00 | |
| Linoleyl-carnitine; AIF; CE30; CorrDec | 11880.00 | 9269.00 | 11298.00 | 1638.00 | 809.00 | 1532.00 | |
| Linoleyl-carnitine; LC-tDDA; CE20 | 3473.00 | 4240.00 | 4074.00 | 8621.00 | 10660.00 | 6967.00 | |
| Liquiritigenin | 124294.00 | 114611.00 | 113087.00 | 1419.00 | 1575.00 | 1255.00 | |
| lithocholic acid | 149041.00 | 134365.00 | 129373.00 | 241.00 | 512.00 | - | |
| Loliolide | 25215.00 | 22394.00 | 21313.00 | 14571.00 | 12564.00 | 13219.00 | |
| LPC 16:0 | 1284142.00 | 941210.00 | 927596.00 | 6481412.00 | 6568496.00 | 6246016.00 | |
| LPC 18:1 | 1263313.00 | 1043243.00 | 1099256.00 | 32401578.00 | 27280386.00 | 28268934.00 | |
| LPC 18:2 | 450167.00 | 349979.00 | 346823.00 | 616391.00 | 552159.00 | 595038.00 | |
| LPC 18:3 | 7156.00 | 3538.00 | 5311.00 | 30358.00 | 23931.00 | 22543.00 | |
| LPE 18:1 | 676259.00 | 521290.00 | 557709.00 | 770236.00 | 686774.00 | 685350.00 | |
| LPE 18:2 | 1791345.00 | 1503997.00 | 1514710.00 | 5856273.00 | 5230223.00 | 4817736.00 | |
| LPE 18:3 | 3145.00 | 3025.00 | 2016.00 | 5584.00 | 3404.00 | 5055.00 | |
| L-Phenylalanine | 8742.00 | 5613.00 | 5134.00 | 10831.00 | 9593.00 | 9337.00 | |
| L-Proline | 3152.00 | 2714.00 | 2044.00 | 163075.00 | 180738.00 | 129249.00 | |
| L-Thyroxine | 578.00 | 823.00 | 1140.00 | 1723.00 | 2437.00 | 3418.00 | |
| L-Tryptophan | 11867.00 | 8451.00 | 5765.00 | 3835.00 | 116911.00 | 78766.00 | |
| Luteolin-7-O-glucoside | 49.00 | 40.00 | 3.00 | - | 55.00 | 50.00 | |
| Lycopsamine | 477.00 | 991.00 | 681.00 | 326.00 | 567.00 | 337.00 | |
| Lysine | 28091.00 | 18894.00 | 22404.00 | 765.00 | 1128.00 | 1496.00 | |
| Lysine; LC-tDDA; CE40 | 63554.00 | 46114.00 | 94465.00 | 331086.00 | 312048.00 | 286260.00 | |
| LysoPC(0:0/18:0) | 4407.00 | 4484.00 | 3905.00 | 27255.00 | 30645.00 | 22650.00 | |
| MAG | 47335.00 | 39338.00 | 39652.00 | 29030.00 | 19403.00 | 18388.00 | |
| Magnolol | 23150.00 | 16295.00 | 17783.00 | 531.00 | 122.00 | 258.00 | |
| Maltol | 25288.00 | 20478.00 | 23219.00 | 6070.00 | 6891.00 | 4359.00 | |
| MALTOTRIOSE | 9230.00 | 5621.00 | 5909.00 | 132289.00 | 134612.00 | 165712.00 | |
| m-Cumenyl methylcarbamate | 5825.00 | 11619.00 | 5247.00 | 2159.00 | 300.00 | 1761.00 | |
| Mefenamic acid | 21.00 | 184.00 | - | 374.00 | 352.00 | 335.00 | |
| Melezitose | 5777.00 | 8685.00 | 5765.00 | 56604.00 | 63151.00 | 69860.00 | |
| Meperidine | 53890.00 | 36193.00 | 38423.00 | 41.00 | 97.00 | 27.00 | |
| Methionine | 833.00 | 471.00 | 536.00 | 47.00 | 133.00 | 72.00 | |
| Methylimidazoleacetic acid; LC-tDDA; CE30 | 607363.00 | 568196.00 | 550826.00 | 5598.00 | 7382.00 | 7351.00 | |
| METHYL INDOLE-3-ACETATE | 34197.00 | 27586.00 | 15736.00 | 21914.00 | 384955.00 | 254351.00 | |
| methyl (R)-4-((3R,5S,7R,8R,9S,10S,13R,14S,15S,17R)-3,7,15-tr... | 11266.00 | 6826.00 | 8481.00 | 354107.00 | 290706.00 | 319833.00 | |
| methyl (R)-4-((3R,5S,7R,8S,9S,10S,13R,14R,17R)-3,7,14-trihyd... | 2418.00 | 3662.00 | 5171.00 | 63033.00 | 52569.00 | 51132.00 | |
| Methyltestosterone | 366886.00 | 276130.00 | 279207.00 | 640421.00 | 601014.00 | 523419.00 | |
| Methylthioadenosine | 11241.00 | 9873.00 | 9234.00 | 1475.00 | 12899.00 | 12823.00 | |
| Methyl trans-styryl ketone | 671.00 | 680.00 | 1142.00 | 1400.00 | 274.00 | 1151.00 | |
| Methyltyrosinate | 1969.00 | 1062.00 | 1712.00 | 2725.00 | 438.00 | 722.00 | |
| MMV028694 | 889.00 | 652.00 | 492.00 | 4.00 | 102.00 | 1.00 | |
| MMV688469 | 3581.00 | 2626.00 | 2217.00 | 21417.00 | 16187.00 | 18500.00 | |
| MMV688990 | 4664.00 | 2017.00 | 2760.00 | 7836.00 | 6619.00 | 6704.00 | |
| Mono-iso-butyl phthalate | 8873.00 | 7258.00 | 7825.00 | 8806.00 | 8502.00 | 11391.00 | |
| Monoolein | 81130.00 | 51798.00 | 58838.00 | 8330.00 | 5435.00 | 4470.00 | |
| Morphine | 23096.00 | 17381.00 | 15795.00 | 100.00 | 249.00 | 352.00 | |
| Morphine_3_Glucuronide | 2428.00 | 1804.00 | 246.00 | 102447.00 | 3681.00 | 4913.00 | |
| Myristamidopropyl betaine | 12827.00 | 9736.00 | 11096.00 | 14364.00 | 13749.00 | 12088.00 | |
| Myristoyl-carnitine; LC-tDDA; CE20 | 5757.00 | 3354.00 | 2490.00 | 1889.00 | 1160.00 | 910.00 | |
| Myristoyl-carnitine; LC-tDDA; CE30 | 118450.00 | 83836.00 | 90086.00 | 37349.00 | 33239.00 | 29558.00 | |
| N-[1,3-dihydroxyoctadec-4-en-2-yl]tetracos-15-enamide | 17910.00 | 21234.00 | 19505.00 | 1234339.00 | 873599.00 | 1009935.00 | |
| N1-Methylguanosine; LC-tDDA; CE40 | 20338.00 | 17230.00 | 20688.00 | 20865.00 | 16325.00 | 17201.00 | |
| N2,N2-Dimethylguanosine | 20612.00 | 16436.00 | 15930.00 | 2770.00 | 35495.00 | 21766.00 | |
| N2_N2-Dimethylguanosine | 19507.00 | 15572.00 | 15227.00 | 39170.00 | 6397.00 | 5055.00 | |
| N-(2-Phenylethyl)acetamide | 26304.00 | 19866.00 | 18706.00 | 153.00 | 230.00 | 45.00 | |
| N6-Isopentenyladenosine | 13338.00 | 13714.00 | 11374.00 | 36859.00 | 37618.00 | 34272.00 | |
| N6-Me-Adenosine | 5361.00 | 5519.00 | 21449.00 | 70.00 | 1058.00 | 4792.00 | |
| N6-Methyl-lysine; AIF; CE0; CorrDec | 15392.00 | 11966.00 | 13581.00 | 2687.00 | 1420.00 | 2674.00 | |
| N6,N6-dimethyllysine | 1692.00 | 4138.00 | 2853.00 | 4103.00 | 1480.00 | 2458.00 | |
| N6-Succinyladenosine; AIF; CE0; MS2Dec | 9526.00 | 5423.00 | 7698.00 | 769194.00 | 143363.00 | 147429.00 | |
| N6-Succinyladenosine; AIF; CE30; MS2Dec | 5804.00 | 2736.00 | 2964.00 | 658.00 | 768411.00 | 692279.00 | |
| N6-Threonylcarbamoyladenosine | 16288.00 | 14549.00 | 15495.00 | 4678.00 | 51701.00 | 49988.00 | |
| N7-Et-G | 328.00 | 1309.00 | 968.00 | 59300.00 | 6086.00 | 6910.00 | |
| N8-Acetylspermidine | 143772.00 | 136536.00 | 119872.00 | 1855.00 | 1439.00 | 6549.00 | |
| N-Acetyl-5-hydroxytryptamine | 1355.00 | 1000.00 | 1269.00 | 2593.00 | 2044.00 | 3268.00 | |
| N-ACETYL-ASPARTIC ACID | 3032.00 | 2232.00 | 1971.00 | 545.00 | 249.00 | 699.00 | |
| N-Acetyl-Asp-Glu | 7166.00 | 11321.00 | 10305.00 | 1861.00 | 1394.00 | 1666.00 | |
| N-Acetylcarnosine | 14368.00 | 11984.00 | 11859.00 | 559.00 | 2261.00 | 1517.00 | |
| N-Acetyl-cysteine; LC-tDDA; CE10 | 10.00 | 150.00 | 11.00 | 7.00 | 8.00 | 114.00 | |
| N-Acetyl-cysteine; LC-tDDA; CE20 | 196.00 | 280.00 | 115.00 | 320.00 | 429.00 | 552.00 | |
| N-Acetylcytidine | 4878.00 | 3416.00 | 4027.00 | 184.00 | 3854.00 | 370.00 | |
| N-ACETYLGALACTOSAMINE | 145531.00 | 155210.00 | 139409.00 | 39317.00 | 35252.00 | 35165.00 | |
| N-Acetylglutamic acid | 18498.00 | 12472.00 | 15298.00 | 13031.00 | 13092.00 | 11546.00 | |
| N-Acetyl-leucine; LC-tDDA; CE20 | 2743.00 | 1745.00 | 2607.00 | 1919.00 | 1489.00 | 1148.00 | |
| N-Acetylmuramic Acid | 67958.00 | 62306.00 | 61378.00 | 2592.00 | 841.00 | 2251.00 | |
| N-Acetylphenylalanine | 5647.00 | 3419.00 | 4386.00 | 8731.00 | 7893.00 | 7355.00 | |
| N-acetyl putrescine | 77161.00 | 73465.00 | 74445.00 | 806.00 | 629.00 | 256.00 | |
| N-Acetyl-tryptophan; LC-tDDA; CE40 | 5551.00 | 4986.00 | 4649.00 | 3334.00 | 2810.00 | 2700.00 | |
| N-Acetyl-tyrosine; LC-tDDA; CE20 | 6573.00 | 4907.00 | 1396.00 | 183.00 | 3510.00 | 4232.00 | |
| Nadolol | 7525.00 | 6218.00 | 5942.00 | 1025.00 | 629.00 | 1046.00 | |
| NALOXONE | 34352.00 | 29002.00 | 29999.00 | 122.00 | 169.00 | 51.00 | |
| Naltrexone | 1156.00 | 1403.00 | 408.00 | 334.00 | 5.00 | 132.00 | |
| Naphthalene | 25295.00 | 16160.00 | 21120.00 | 969.00 | 667.00 | 704.00 | |
| Naproxen | 488.00 | - | 400.00 | 470.00 | - | 641.00 | |
| N-C18:0 Phytoceramide | 138636.00 | 124634.00 | 124413.00 | 113.00 | 235.00 | 630.00 | |
| NCGC00015088-09_C12H14N2O_N-[2-(1H-Indol-3-yl)ethyl]acetamid... | 51522.00 | 47105.00 | 52904.00 | 511.00 | 909.00 | 853.00 | |
| NCGC00142553-05!5,7-dimethoxy-2-phenyl-2,3-dihydrochromen-4-... | 1310.00 | 2856.00 | 610.00 | 2652.00 | 1694.00 | 1733.00 | |
| NCGC00169595-03_C20H32O3_[(2R,5R,8a^S)-2^,5,5^,5^,8a^-Pentam... | 4453.00 | 2026.00 | 1928.00 | 16686.00 | 14732.00 | 12339.00 | |
| NCGC00169827-03!(2E,4E)-12-hydroxy-13-(hydroxymethyl)-3,5,7-... | 8695.00 | 2163.00 | 3980.00 | 629.00 | 363.00 | 389.00 | |
| NCGC00169961-02!4-hydroxy-3-[(2E,6E)-4-hydroxy-3,7,11-trimet... | 2045.00 | 830.00 | 2988.00 | 712.00 | 478.00 | 484.00 | |
| NCGC00178486-02!5-hydroxy-2-(4-hydroxyphenyl)-7-[(2S,3R,4S,5... | 90.00 | 1665.00 | 1629.00 | 15.00 | 1212.00 | 3234.00 | |
| NCGC00180676-03_C20H36O3_1-Naphthalenepentanoic acid, decahy... | 304808.00 | 232345.00 | 292906.00 | 612955.00 | 562050.00 | 438506.00 | |
| NCGC00336197-02!(1E,4E)-1,5-bis(4-methoxyphenyl)penta-1,4-di... | 1538.00 | 2169.00 | 2876.00 | 2696.00 | 3509.00 | 980.00 | |
| NCGC00380283-01!4-[5-[[4-[5-[acetyl(hydroxy)amino]pentylamin... | 2486986.00 | 2010850.00 | 2171102.00 | 1493792.00 | 1256927.00 | 1218458.00 | |
| NCGC00380823-01!2-(14-methylpentadecanoylamino)-3-phenylprop... | 50379.00 | 38228.00 | 40235.00 | 212829.00 | 184552.00 | 169606.00 | |
| NCGC00380823-01!2-(14-methylpentadecanoylamino)-3-phenylprop... | 9421.00 | 8947.00 | 10770.00 | 13186.00 | 9960.00 | 8362.00 | |
| NCGC00380830-01!methyl 2-[(2-hydroxy-3-methylbutanoyl)amino]... | 295.00 | 181.00 | 719.00 | 107.00 | 322.00 | 320.00 | |
| NCGC00380990-01!(2E,4E)-12-hydroxy-13-(hydroxymethyl)-14-met... | 1271.00 | 3545.00 | 439.00 | - | 111.00 | - | |
| NCGC00381364-01!3-propan-2-yl-2,3,6,7,8,8a-hexahydropyrrolo[... | 2078.00 | 1373.00 | 991.00 | 1045.00 | 1254.00 | 1010.00 | |
| NCGC00381425-01!8-hydroxy-8-(3-octyloxiran-2-yl)octanoic aci... | 381055.00 | 341506.00 | 322799.00 | 58.00 | 122.00 | 85.00 | |
| NCGC00384578-01!5-[5-(acetyloxymethyl)-1,2,4a-trimethyl-7-ox... | 1210.00 | 1242.00 | 57.00 | - | 875.00 | - | |
| NCGC00384643-01_C20H32O2_(2E)-3-Methyl-5-[(1S,8aS)-5,5,8a-tr... | 62661.00 | 56142.00 | 48601.00 | 398877.00 | 275168.00 | 227525.00 | |
| NCGC00384702-01!(2Z,6E,10E)-12-hydroxy-6,10-dimethyl-2-(4-me... | 19851.00 | 15231.00 | 11560.00 | 40973.00 | 34806.00 | 29772.00 | |
| NCGC00384702-01!(2Z,6E,10E)-12-hydroxy-6,10-dimethyl-2-(4-me... | 317.00 | 889.00 | 876.00 | 29558.00 | 26626.00 | 26198.00 | |
| NCGC00384740-01_C21H34O9_2(1H)-Azulenone, 6-(beta-D-glucopyr... | 20146.00 | 15428.00 | 16338.00 | 6840.00 | 6562.00 | 5964.00 | |
| NCGC00385110-01_C20H38O2_(2R)-1-(5-Hydroxy-3-methylpentyl)-2... | 86155.00 | 60563.00 | 55805.00 | 179984.00 | 144478.00 | 168746.00 | |
| NCGC00385291-01_C19H30O8_3-Buten-2-one, 4-[4-(beta-D-glucopy... | 10316.00 | 15871.00 | 14943.00 | 11839.00 | 10050.00 | 8645.00 | |
| NCGC00385316-01_C20H32O3_1-Naphthalenepentanoic acid, 3,4,4a... | 19079.00 | 9228.00 | 14398.00 | 195.00 | - | 282.00 | |
| NCGC00385702-01!(2S,3R,5R,10R,13R,14S,17R)-17-[(2S,3R)-3,6-d... | 106818.00 | 84958.00 | 74489.00 | 2625.00 | 2644.00 | 2794.00 | |
| NCGC00385854-01_C14H19N3O4_N~5~-Carbamoyl-N~2~-(phenylacetyl... | 936.00 | 2112.00 | 370.00 | 22.00 | 168.00 | 84.00 | |
| N-(CINNAMOYL)GLYCINE | 266.00 | 1349.00 | 300.00 | 2743.00 | 2822.00 | 3707.00 | |
| NEPSILON,NEPSILON,NEPSILON-TRIMETHYLLYSINE | 23927.00 | 21468.00 | 17112.00 | 56291.00 | 59785.00 | 53112.00 | |
| Nicotinamide | 82872.00 | 90200.00 | 95486.00 | 7110062.00 | 6679771.00 | 5675765.00 | |
| Nicotine | 36840.00 | 37904.00 | 50674.00 | 17552.00 | 16318.00 | 10026.00 | |
| NICOTINIC ACID | 2516150.00 | 2162411.00 | 2212184.00 | 78536.00 | 77366.00 | 75933.00 | |
| NICOTINURIC ACID | 557.00 | 140.00 | 123.00 | 268.00 | 706.00 | 1096.00 | |
| N-Isovalerylglycine | 1569.00 | 510.00 | 550.00 | 8275.00 | 7306.00 | 7267.00 | |
| N-lauroylethanolamine | 3091.00 | 3546.00 | 3124.00 | 4352.00 | 3367.00 | 3145.00 | |
| N-METHYLNICOTINAMIDE | 48.00 | 220.00 | 288.00 | 74.00 | 163.00 | 409.00 | |
| N,N-Dimethyldodecylamine N-oxide | 15406.00 | 12859.00 | 16257.00 | 16583.00 | 13351.00 | 16326.00 | |
| N,N-Dimethylformamide | 180802.00 | 149529.00 | 147958.00 | 183693.00 | 151574.00 | 156729.00 | |
| N,N-Dimethylguanosine; LC-tDDA; CE40 | 1921.00 | 947.00 | 840.00 | 2651.00 | 2378.00 | 2543.00 | |
| N-Oleoylethanolamine | 1251683.00 | 1127320.00 | 1059885.00 | 150031.00 | 135527.00 | 142099.00 | |
| N-Oleoyl-Phenylalanine | 122497.00 | 87374.00 | 98122.00 | 101782.00 | 86386.00 | 85047.00 | |
| N-Oleyl-Leucine | 72550.00 | 57962.00 | 71121.00 | 866.00 | 185.00 | 88.00 | |
| Nonaethylene glycol | 19432.00 | 5975.00 | 7340.00 | 4742.00 | 4697.00 | 4352.00 | |
| Nordiazepam | 97.00 | 66.00 | 97.00 | 134.00 | 42.00 | 55.00 | |
| Nordihydroguaiaretic acid | 4314.00 | 3894.00 | 10918.00 | 1663.00 | 3277.00 | 13886.00 | |
| Norethindrone | 113519.00 | 86107.00 | 97058.00 | 224.00 | 98.00 | 48.00 | |
| Norvaline | 17870.00 | 15109.00 | 13148.00 | 141203.00 | 132032.00 | 126437.00 | |
| Nudifloramide; LC-tDDA; CE20 | 70135.00 | 57116.00 | 51816.00 | 79603.00 | 78830.00 | 71112.00 | |
| O6-MeG | 21998.00 | 15341.00 | 13946.00 | 39070.00 | 41838.00 | 56976.00 | |
| OCP_295.0845_17.0 | 447.00 | 551.00 | 258.00 | 51.00 | 51.00 | 365.00 | |
| Octaethylene glycol | 23545.00 | 11023.00 | 11504.00 | 6385.00 | 7063.00 | 6118.00 | |
| OCTANOYLCARNITINE | 737.00 | 276.00 | 543.00 | 47.00 | 23.00 | 24.00 | |
| Octenoyl-carnitine; LC-tDDA; CE10 | 10139.00 | 6962.00 | 7399.00 | 65.00 | 75.00 | 2.00 | |
| o-Hydroxyhippuric acid | 349.00 | 41.00 | 243.00 | 15.00 | 20.00 | 22.00 | |
| Oleamide | 6125.00 | 33153.00 | 5958.00 | 5241.00 | 24313.00 | 26293.00 | |
| Oleanane -4H, + 2O | 396317.00 | 313442.00 | 307765.00 | - | 21.00 | 321.00 | |
| Oleoyl-carnitine; LC-tDDA; CE20 | 5832.00 | 6887.00 | 6262.00 | 2396.00 | 1928.00 | 940.00 | |
| Oleyl sarcosine | 19323.00 | 15495.00 | 18623.00 | 112085.00 | 93249.00 | 90710.00 | |
| O-Phosphocholine | 254.00 | 1264.00 | 793.00 | 6394.00 | 6178.00 | 6118.00 | |
| OPHTHALMIC ACID | 41078.00 | 32773.00 | 29082.00 | 88763.00 | 91984.00 | 78985.00 | |
| oroxindin | 812.00 | 2029.00 | 628.00 | 784.00 | 529.00 | 294.00 | |
| ortho-Chlorophenylpiperazine | 997.00 | 486.00 | 788.00 | 332.00 | 8.00 | - | |
| Ortophosphate | 1694.00 | 3044.00 | 2717.00 | 175024.00 | 152110.00 | 154932.00 | |
| Paeonol | 4598.00 | 4021.00 | 3755.00 | 267.00 | 260.00 | 296.00 | |
| Palmitoyl-carnitine; LC-tDDA; CE20 | 5231.00 | 5743.00 | 3833.00 | 9143.00 | 13269.00 | 8571.00 | |
| P-ANISALDEHYDE | 62585.00 | 50074.00 | 54630.00 | 3867.00 | 2300.00 | 3196.00 | |
| Pantothenate | 21651.00 | 11756.00 | 20136.00 | 352.00 | 48908.00 | 45330.00 | |
| PARAXANTHINE | 452.00 | 774.00 | 660.00 | 693.00 | 333.00 | 207.00 | |
| PC(16:0/0:0) | 3267.00 | 2491.00 | 531.00 | 16436.00 | 2849.00 | 3716.00 | |
| PC(16:0/18:1(9Z)) | 1496392.00 | 2794111.00 | 2193085.00 | 66417224.00 | 62907720.00 | 64634504.00 | |
| PC 17:0-20:3-d5_ISTD | 2971.00 | 1583.00 | 1311.00 | 98706.00 | 449054.00 | 96663.00 | |
| Pentadecanoyl Ethanolamide | 386500.00 | 335124.00 | 335264.00 | 453.00 | 340.00 | 9.00 | |
| PharmaGSID_48507 | 3232.00 | 5684.00 | 4740.00 | 2440.00 | 1700.00 | 1836.00 | |
| Phenacetin | 53573.00 | 36944.00 | 45590.00 | 958.00 | 898.00 | 907.00 | |
| Phenylacetylglutamine | 1974.00 | 1070.00 | 626.00 | 455.00 | 1542.00 | 133.00 | |
| Phenylacetylglycine; LC-tDDA; CE10 | 7828.00 | 8470.00 | 6597.00 | 6978.00 | 6009.00 | 7660.00 | |
| PHENYLALANINE | 4096.00 | 1066.00 | 2068.00 | 2368.00 | 2078.00 | 1930.00 | |
| Phenylalanylphenylalanine; LC-tDDA; CE40 | 9586.00 | 4464.00 | 5043.00 | 145.00 | 1560.00 | 1514.00 | |
| PHENYLETHANOLAMINE | 2989200.00 | 2482436.00 | 2352700.00 | 765410.00 | 13441768.00 | 12917381.00 | |
| Phenytoin | 115.00 | 40.00 | 66.00 | 27.00 | 8.00 | 16.00 | |
| Phosphorylcholine; LC-tDDA; CE10 | 314.00 | 772.00 | 4.00 | 1865.00 | 2583.00 | 2711.00 | |
| Phosphorylcholine; LC-tDDA; CE20 | 177.00 | 106.00 | 842.00 | 245.00 | 56.00 | 169.00 | |
| Phosphorylcholine; LC-tDDA; CE40 | 141.00 | 137.00 | 199.00 | 2697.00 | 1634.00 | 2078.00 | |
| Phthalic acid | 55472.00 | 56958.00 | 56332.00 | 62077.00 | 45680.00 | 40343.00 | |
| Phytosphingosine (not validated, isomer of 1696) | 127.00 | 84.00 | 259.00 | 153.00 | 1428.00 | 365.00 | |
| Picolinic acid | 1564.00 | 656.00 | 1787.00 | 335.00 | 80.00 | 211.00 | |
| Pilocarpine | 31154.00 | 24018.00 | 23105.00 | 944.00 | 882.00 | 738.00 | |
| PIPECOLIC ACID | 55927.00 | 50333.00 | 47950.00 | 323477.00 | 283363.00 | 285664.00 | |
| PIPECOLINIC ACID | 450103.00 | 367561.00 | 377718.00 | 93736.00 | 75790.00 | 46138.00 | |
| Piperine | 616.00 | 311.00 | 52.00 | 2.00 | 99.00 | 2.00 | |
| P-OCTOPAMINE | 260184.00 | 239258.00 | 249204.00 | 834394.00 | 798271.00 | 753928.00 | |
| Proline | 13148.00 | 14735.00 | 7202.00 | 6082.00 | 5586.00 | 4420.00 | |
| Propionyl-carnitine | 43264.00 | 31849.00 | 28351.00 | 41053.00 | 39949.00 | 29459.00 | |
| PSICOSE | 306214.00 | 102818.00 | 295598.00 | 1301089.00 | 1202482.00 | 1278735.00 | |
| Pterosin A | 16459.00 | 14115.00 | 14612.00 | 2.00 | 269.00 | 462.00 | |
| Pterosin B | 633.00 | 855.00 | 414.00 | 190.00 | 128.00 | 33.00 | |
| Pterosin G | 4163.00 | 3690.00 | 1943.00 | 412.00 | 200.00 | 569.00 | |
| Pyridine | 63441.00 | 70892.00 | 52347.00 | 186181.00 | 189785.00 | 193720.00 | |
| PYRIDOXAL | 305.00 | 1192.00 | 1469.00 | 688.00 | 166.00 | 481.00 | |
| Pyridoxamine | 21940.00 | 24290.00 | 15261.00 | 27345.00 | 24325.00 | 25981.00 | |
| PYRIDOXINE | 47400.00 | 42538.00 | 45387.00 | 9993.00 | 10311.00 | 9176.00 | |
| Pyrimidine | 59862.00 | 53939.00 | 58216.00 | 6090.00 | 3598.00 | 2892.00 | |
| Pyroglutamate | 46036.00 | 37914.00 | 43022.00 | 216066.00 | 204833.00 | 203682.00 | |
| PYROGLUTAMIC ACID | 827.00 | 1719.00 | 1790.00 | 5836.00 | 4338.00 | 2607.00 | |
| Pyrrolidine | 36796.00 | 32558.00 | 34465.00 | 8214.00 | 8712.00 | 9139.00 | |
| Quetiapine | 2796.00 | 1981.00 | 3165.00 | 63.00 | 51.00 | 15.00 | |
| Quinaldic acid | 1381.00 | 2084.00 | 853.00 | 227.00 | 14.00 | 37.00 | |
| Quinoline; LC-tDDA; CE20 | 3137.00 | 10980.00 | 2784.00 | 93391.00 | 18301.00 | 63988.00 | |
| Quinoline; LC-tDDA; CE30 | 3477.00 | 6038.00 | 2952.00 | 6271.00 | 4639.00 | 4378.00 | |
| Quinolone | 3183334.00 | 2799152.00 | 2717992.00 | 2604.00 | 2038.00 | 2165.00 | |
| (R)-4-((1R,3S,5R,8S,9S,10S,13R,14S,17R)-1,3-dihydroxy-10,13-... | 119570.00 | 96211.00 | 96713.00 | 3721.00 | 2787.00 | 2545.00 | |
| (R)-4-((3R,5R,6R,7R,8R,9S,10R,12S,13R,14S,17R)-3,6,7,12-tetr... | 217808.00 | 191712.00 | 180494.00 | 2781.00 | 2676.00 | 2652.00 | |
| (R)-4-((3R,5R,6R,7R,8S,9S,10R,13R,14S,17R)-3,6,7-trihydroxy-... | 738605.00 | 626348.00 | 616339.00 | 79148.00 | 83580.00 | 58258.00 | |
| (R)-4-((3R,5R,6R,7S,8S,9S,10R,13R,14S,17R)-3,6,7-trihydroxy-... | 147908.00 | 157848.00 | 183262.00 | 12506.00 | 7158.00 | 11686.00 | |
| (R)-4-((3R,5R,6R,8R,9S,10R,12S,13R,14S,17R)-3,6,12-trihydrox... | 1393672.00 | 2108441.00 | 1530460.00 | 617536.00 | 561434.00 | 571145.00 | |
| (R)-4-((3R,5R,8R,9S,10S,12S,13R,14S,17R)-3,12-dihydroxy-10,1... | 3503807.00 | 2774400.00 | 2970539.00 | 4667.00 | 4471.00 | 3660.00 | |
| (R)-4-((3R,5R,8S,9S,10R,13R,14S,17R)-3-hydroxy-10,13-dimethy... | 4361265.00 | 3609011.00 | 3763632.00 | 4250.00 | 4242.00 | 4011.00 | |
| (R)-4-((3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydrox... | 73860.00 | 68535.00 | 112938.00 | 14691.00 | 9536.00 | 15368.00 | |
| (R)-4-((3S,5R,6S,7S,8S,9S,10R,13R,14S,17R)-3,6,7-trihydroxy-... | 1442962.00 | 1277842.00 | 1211565.00 | 91962.00 | 95331.00 | 92352.00 | |
| (R)-4-((3S,5S,7S,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-... | 380280.00 | 378742.00 | 449792.00 | 86.00 | 1311.00 | 708.00 | |
| (R)-4-((3S,5S,8R,9S,10S,12S,13R,14S,17R)-3,12-dihydroxy-10,1... | 129731.00 | 79207.00 | 94861.00 | 122.00 | 349.00 | 281.00 | |
| (R)-4-((5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3,7-dioxohe... | 578603.00 | 471076.00 | 474592.00 | 1868.00 | 742.00 | 2744.00 | |
| (R)-4-((8S,9S,10R,13R,14S,17R)-10,13-dimethyl-3-oxo-2,3,8,9,... | 186157.00 | 144583.00 | 166351.00 | 12034.00 | 11755.00 | 11670.00 | |
| Raloxifene | 2315.00 | 2297.00 | 873.00 | 32508.00 | 28936.00 | 24170.00 | |
| Reserpine | 2389.00 | 2906.00 | 1985.00 | 8014.00 | 8014.00 | 5188.00 | |
| Resibufogenin | 70278.00 | 56574.00 | 58004.00 | 11.00 | 103.00 | 82.00 | |
| RIBOFLAVIN | 122956.00 | 93491.00 | 102760.00 | 667388.00 | 514332.00 | 513169.00 | |
| Roquefortine A | 41284.00 | 30605.00 | 30587.00 | 204.00 | 143.00 | 130.00 | |
| S-(5^-Adenosyl)-L-methionine | 3198.00 | 983.00 | 2517.00 | 5786.00 | 7785.00 | 6540.00 | |
| S-Adenosylhomocysteine (SAH) | 4175.00 | 1645.00 | 2033.00 | 90299.00 | 46945.00 | 75233.00 | |
| S-Adenosyl-homocysteine (SAH); LC-tDDA; CE30 | 12896.00 | 9642.00 | 11349.00 | 171271.00 | 159261.00 | 150394.00 | |
| Saikosaponin a | 11.00 | 378.00 | 1110.00 | 515.00 | 106.00 | 63.00 | |
| Saikosaponin C | 452.00 | 487.00 | 634.00 | 18757.00 | 20349.00 | 26352.00 | |
| Salicylic acid | 509.00 | 300.00 | 46.00 | 253.00 | 43.00 | 75.00 | |
| SARCOSINE | 39694.00 | 41180.00 | 38513.00 | 122582.00 | 131901.00 | 130362.00 | |
| Sclareol | 102424.00 | 80687.00 | 82820.00 | 12400.00 | 10663.00 | 11837.00 | |
| Seneciphylline | 17943.00 | 15321.00 | 17240.00 | 1404.00 | 9052.00 | 559.00 | |
| Serylleucine | 25662.00 | 18972.00 | 17598.00 | 642.00 | 506.00 | 908.00 | |
| Sinomenine | 445.00 | 1457.00 | 1723.00 | 35.00 | 19.00 | 33.00 | |
| SN-GLYCERO-3-PHOSPHOCHOLINE | 57285.00 | 54306.00 | 54501.00 | 252046.00 | 217388.00 | 231206.00 | |
| Solasodin | 5079.00 | 1251.00 | 1415.00 | 503.00 | 536.00 | 520.00 | |
| (S)-(-)-Perillic acid | 68701.00 | 54645.00 | 57386.00 | 7285.00 | 5924.00 | 6177.00 | |
| Spermidine | 68436.00 | 52987.00 | 56978.00 | 18837.00 | 22604.00 | 17420.00 | |
| Spermine | 3491.00 | 3744.00 | 2912.00 | 13254.00 | 11824.00 | 5146.00 | |
| SPHINGANINE | 26144.00 | 23297.00 | 14792.00 | 6876.00 | 8865.00 | 8777.00 | |
| Sphinganine (C17 base) | 121310.00 | 89185.00 | 57286.00 | 38.00 | 81.00 | 119.00 | |
| SPHINGOMYELIN | 30466.00 | 28783.00 | 25436.00 | 684860.00 | 685765.00 | 690237.00 | |
| SSR180711 | 317.00 | 104.00 | 332.00 | 78.00 | 424.00 | 268.00 | |
| Stearamide | 642.00 | 945.00 | 981.00 | 704.00 | 809.00 | 735.00 | |
| Stearoyl-carnitine; LC-tDDA; CE20 | 337446.00 | 267075.00 | 252530.00 | 114756.00 | 115018.00 | 104287.00 | |
| Stearoyl Ethanolamide | 1317756.00 | 1051555.00 | 1150628.00 | 551534.00 | 461472.00 | 403120.00 | |
| Stercobilin | 25284.00 | 15820.00 | 17934.00 | 172.00 | 764.00 | 279.00 | |
| STIGMASTA-4,22-DIEN-3-ONE | 602701.00 | 494344.00 | 443999.00 | 348.00 | - | 564.00 | |
| Suberic acid | 29916.00 | 29928.00 | 22938.00 | 66268.00 | 57144.00 | 61594.00 | |
| TAG(50:1) | 5679.00 | 3753.00 | 13356.00 | 8189.00 | 32352.00 | 32720.00 | |
| Taurine; LC-tDDA; CE10 | 1287.00 | 4088.00 | 5600.00 | 289649.00 | 290862.00 | 97192.00 | |
| Taurine; LC-tDDA; CE40 | 7201.00 | 18321.00 | 19428.00 | 95690.00 | 128728.00 | 310601.00 | |
| Taurocholate | 839.00 | 2062.00 | 1712.00 | 7613.00 | 6470.00 | 6981.00 | |
| taurocholic acid | 84102.00 | 66663.00 | 70579.00 | 874963.00 | 804353.00 | 741741.00 | |
| Taurodeoxycholate | 66029.00 | 50855.00 | 56969.00 | 164813.00 | 134393.00 | 149172.00 | |
| taurodeoxycholic acid | 72450.00 | 72067.00 | 59308.00 | 776606.00 | 719925.00 | 734337.00 | |
| taurohyodeoxycholic acid | 45592.00 | 37391.00 | 31126.00 | 186145.00 | 190363.00 | 185107.00 | |
| ?-Tauromuricholic acid | 379760.00 | 299102.00 | 348190.00 | 1398908.00 | 1222469.00 | 1249749.00 | |
| tauroursodeoxycholic acid | 30443.00 | 33641.00 | 32722.00 | 179644.00 | 141423.00 | 158231.00 | |
| Tentoxin | 217.00 | 328.00 | 166.00 | 50.00 | 77.00 | 155.00 | |
| THE | 2738.00 | 2846.00 | 1885.00 | 2.00 | 90.00 | 81.00 | |
| THEOBROMINE | 613.00 | 175.00 | 1963.00 | 269.00 | 18.00 | 52.00 | |
| Thiabendazole | 354.00 | 270.00 | 100.00 | 100.00 | 216.00 | 243.00 | |
| THIAMINE | 46791.00 | 49963.00 | 53642.00 | 29628.00 | 41333.00 | 30621.00 | |
| Thionin | 3010.00 | 2832.00 | 2299.00 | 40457.00 | 8680.00 | 7190.00 | |
| Threonine | 8929.00 | 8958.00 | 8543.00 | 31766.00 | 31275.00 | 28136.00 | |
| Threonylleucine (isomer of 809, 926) | 29688.00 | 26253.00 | 23344.00 | 2007.00 | 2359.00 | 2253.00 | |
| Thymidine; LC-tDDA; CE30 | 40221.00 | 32188.00 | 24979.00 | 1319.00 | 738.00 | 581.00 | |
| THYMINE | 231134.00 | 197151.00 | 167548.00 | 16346.00 | 17094.00 | 16187.00 | |
| Thymol | 15716.00 | 13102.00 | 12214.00 | 2127.00 | 1829.00 | 1947.00 | |
| Trachelanthine | 1231.00 | 1646.00 | 1399.00 | 85.00 | 44.00 | 218.00 | |
| Tramadol | 125.00 | 438.00 | 388.00 | 66.00 | - | - | |
| trans-Ferulic acid; [M+H-H2O]+ | 775.00 | 847.00 | 740.00 | 2797.00 | 2837.00 | 2130.00 | |
| Traversianal | 9883.00 | 7542.00 | 4387.00 | 97783.00 | 80905.00 | 77781.00 | |
| Trazodone | 836.00 | 1933.00 | 968.00 | 167.00 | 8.00 | 95.00 | |
| TREHALOSE | 558171.00 | 583880.00 | 531474.00 | 1164071.00 | 1169367.00 | 1206481.00 | |
| Triacylglycerol 16:0-18:1-18:1 | 5346.00 | 5159.00 | 13133.00 | 6889.00 | 123533.00 | 141069.00 | |
| Tri(butoxyethyl) phosphate | 35955.00 | 28905.00 | 23850.00 | 79722.00 | 65880.00 | 65861.00 | |
| Tri(butoxyethyl)phosphate | 3881.00 | 1080.00 | 2693.00 | 1727.00 | 1330.00 | 2230.00 | |
| Tributylamine | 79910.00 | 54256.00 | 54149.00 | 59409.00 | 50038.00 | 55343.00 | |
| Tricin | 47288.00 | 50382.00 | 44132.00 | 9.00 | 511.00 | 217.00 | |
| Trigonelline | 238967.00 | 236190.00 | 239047.00 | 101290.00 | 108227.00 | 105747.00 | |
| Trilostane | 19543.00 | 14027.00 | 14687.00 | 126.00 | 50.00 | 116.00 | |
| TRIMETHYLAMINE | 44791.00 | 48659.00 | 49203.00 | 68729.00 | 67406.00 | 63775.00 | |
| TRIMETHYLAMINE N-OXIDE | 572.00 | 223.00 | 417.00 | 2.00 | 343.00 | 206.00 | |
| Tri-N-butyl phosphate | 478.00 | 87.00 | 185.00 | 196.00 | 265.00 | 301.00 | |
| Tripalmitin | 7632.00 | 2627.00 | 1599.00 | 13425.00 | 14460.00 | 3572.00 | |
| Triphenyl phosphate (TPP) | 4118.00 | 8943.00 | 8786.00 | 4932.00 | 4118.00 | 3933.00 | |
| Triphenylphosphine oxide | 1847.00 | 659.00 | 1150.00 | 1407.00 | 977.00 | 4643.00 | |
| Tripropilamine | 232582.00 | 158327.00 | 162017.00 | 234169.00 | 217549.00 | 239581.00 | |
| Trospium | 5182.00 | 1499.00 | 2014.00 | 15.00 | 21.00 | 48.00 | |
| Troxipide | 309760.00 | 274348.00 | 271209.00 | 3692.00 | 3465.00 | 3313.00 | |
| Tryptamine | 9830.00 | 6947.00 | 6526.00 | 1132.00 | 1183.00 | 1632.00 | |
| Tryptophan | 12799.00 | 11709.00 | 13957.00 | 5609.00 | 8823.00 | 7704.00 | |
| Tryptophan betaine | 9013.00 | 5260.00 | 6299.00 | 405.00 | 381.00 | 19.00 | |
| Tyramine | 338.00 | 1288.00 | 1757.00 | 142.00 | 100.00 | 25.00 | |
| Tyrosine | 2187.00 | 6645.00 | 5827.00 | 267.00 | 2871.00 | 165.00 | |
| URACIL | 434884.00 | 269593.00 | 295050.00 | 94028.00 | 184580.00 | 60905.00 | |
| Uric acid | 26799.00 | 11760.00 | 19843.00 | 3459.00 | 3328.00 | 3123.00 | |
| UROCANATE | 304930.00 | 244349.00 | 266475.00 | 32947.00 | 13955.00 | 34879.00 | |
| Urolithin A | - | 285.00 | 283.00 | - | 17.00 | 67.00 | |
| URSOCHOLIC ACID | 37214.00 | 32881.00 | 30382.00 | 2598.00 | 2672.00 | 1906.00 | |
| URSODEOXYCHOLATE | 20738.00 | 15526.00 | 16114.00 | 134337.00 | 124172.00 | 105518.00 | |
| Valerophenone | 297.00 | 477.00 | 1392.00 | 12832.00 | 8869.00 | 10448.00 | |
| Valeryl-carnitine; AIF; CE10; CorrDec | 10219.00 | 7759.00 | 7480.00 | 77330.00 | 73123.00 | 65982.00 | |
| Valine | 16684.00 | 26117.00 | 14075.00 | 49874.00 | 14609.00 | 71806.00 | |
| Vasicinone | 7706.00 | 10028.00 | 9999.00 | 2607.00 | 3382.00 | 2354.00 | |
| Velvione | 16707.00 | 20291.00 | 18202.00 | 8870.00 | 8888.00 | 11047.00 | |
| Walleminone | 289045.00 | 232222.00 | 239237.00 | 73.00 | 748.00 | 663.00 | |
| Xanthine | 122097.00 | 90674.00 | 89989.00 | 86706.00 | 95053.00 | 82332.00 | |
| Xanthosine | 42182.00 | 35477.00 | 34956.00 | 384817.00 | 332779.00 | 333538.00 | |
| Xanthoxylin | 685.00 | 335.00 | 431.00 | 495.00 | 216.00 | 575.00 | |
| Xanthurenic acid | 3478.00 | 1786.00 | 2321.00 | 191.00 | 125.00 | 444.00 | |
| y-Linolenic acid | 59871.00 | 51837.00 | 43854.00 | 45514.00 | 43033.00 | 42776.00 | |
| (Z)-3-(4-hydroxyphenyl)-N-[4-[[(E)-3-(4-hydroxyphenyl)prop-2... | 58975.00 | 49178.00 | 49455.00 | 41.00 | - | 6.00 | |
| (Z)-5,8,11-trihydroxyoctadec-9-enoic acid | 257836.00 | 215521.00 | 222746.00 | 4708.00 | 5007.00 | 3875.00 | |
| Zearalenone | 47.00 | 102.00 | 307.00 | 52.00 | 30.00 | 155.00 |
Factors:
| F1 | Source:Mouse feces | MS2 CE:15V |
| F2 | Source:Mouse feces | MS2 CE:30V |
| F3 | Source:Mouse feces | MS2 CE:45V |
| F4 | Source:Mouse liver | MS2 CE:15V |
| F5 | Source:Mouse liver | MS2 CE:30V |
| F6 | Source:Mouse liver | MS2 CE:45V |
