Data for ST000549
| Metabolite structure | All data | F1 | F2 | F3 | F4 | F5 | F6 | F7 | F8 |
|---|---|---|---|---|---|---|---|---|---|
| 10-Deoxymethynolide | 9432.00 | 1.00 | 7751.00 | 7556.00 | 29338.40 | 1.00 | 1.00 | 1.00 | |
| 11-amino-undecanoic acid | 59097.50 | 65284.00 | 63230.50 | 66203.50 | 57091.60 | 63658.60 | 52491.67 | 48507.50 | |
| 11-amino-undecanoic acid + 1.4218489 | 12784.50 | 17275.00 | 16799.75 | 19704.00 | 10430.40 | 23159.60 | 12574.83 | 10174.83 | |
| 11-amino-undecanoic acid + 5.2308316 | 27039.75 | 21076.67 | 28063.50 | 17952.00 | 20697.80 | 29772.20 | 18722.33 | 23168.83 | |
| (±)11-HEDE | 17292.50 | 2036.67 | 12416.00 | 17721.50 | 19177.20 | 3859.80 | 10264.33 | 8543.17 | |
| 12,13S-epoxy-9Z,11-octadecadienoic acid | 1537687.75 | 173755.67 | 1380670.75 | 1094901.00 | 2369320.80 | 352442.60 | 875928.33 | 509693.17 | |
| 12,13S-epoxy-9Z,11-octadecadienoic acid + 1.2291057 | 20637.75 | 2966.67 | 21509.25 | 15485.75 | 48082.40 | 13161.00 | 13293.17 | 9545.00 | |
| 1,2,3-Trimethylbenzene | 300374.75 | 331358.00 | 275909.00 | 266671.25 | 291332.80 | 306264.80 | 250736.83 | 246410.67 | |
| 1?,25-dihydroxy-24-oxo-23-azavitamin D2 / 1?,25-dihydroxy-24... | 23962.75 | 11650.00 | 1.00 | 20374.75 | 1.00 | 13545.40 | 3777.00 | 18618.50 | |
| 12a-Hydroxyrotenone | 3609.25 | 1.00 | 5100.75 | 2281.75 | 10057.40 | 2985.60 | 1.00 | 1564.83 | |
| 1,2-Diacetylhydrazine | 44952.50 | 28188.00 | 41975.00 | 32920.00 | 17901.20 | 39382.20 | 36896.67 | 39187.33 | |
| 1,2-Diamino-4-nitrobenzene | 1.00 | 16217.33 | 1.00 | 27624.50 | 1.00 | 9936.00 | 1.00 | 23502.50 | |
| 12-oxo-10E-dodecenoic acid | 36071.50 | 13013.33 | 44390.75 | 26245.75 | 36527.20 | 4248.00 | 30418.17 | 22514.67 | |
| 12-trans-Hydroxy juvenile hormone III | 43384.75 | 44348.00 | 21167.00 | 30419.75 | 18378.00 | 48411.60 | 20326.33 | 18857.33 | |
| 13(S)-HpODE | 105079.75 | 79480.33 | 105516.50 | 125007.50 | 80615.00 | 74261.20 | 71901.33 | 77360.83 | |
| 16(S)-HETE | 21616.75 | 1.00 | 1.00 | 60319.25 | 1.00 | 16821.00 | 1.00 | 58504.83 | |
| 17,20-dimethyl Prostaglandin F1? | 35130.25 | 33606.33 | 22964.00 | 1.00 | 28838.60 | 12832.80 | 9414.67 | 33085.67 | |
| 17beta-(Acetylthio)estra-1,3,5(10)-trien-3-ol acetate | 27606.50 | 17904.00 | 1.00 | 2189.50 | 1437.20 | 26680.40 | 561.00 | 4070.50 | |
| 17beta-Hydroxy-2alpha-(methoxymethyl)-17-methyl-5alpha-andro... | 24916.00 | 26578.33 | 2282.25 | 34575.00 | 1204.20 | 10336.40 | 15457.83 | 36266.33 | |
| 17beta-Hydroxy-6beta-methyl-5alpha-androstan-3-one propionat... | 8149.25 | 4095.00 | 690.50 | 2381.50 | 1.00 | 5602.40 | 536.50 | 6299.17 | |
| 17-Ethynyl-10-hydroxy-19-nortestosterone | 56877.00 | 20339.00 | 43695.25 | 38800.25 | 23508.20 | 29496.20 | 35693.67 | 29960.83 | |
| 17-Propylestra-1,3,5(10)-triene-3,17beta-diol diacetate | 405380.75 | 407674.67 | 448280.50 | 395705.00 | 380161.80 | 364316.40 | 437092.67 | 451937.50 | |
| 1-(8-[3]-ladderane-octanoyl-2-(8-[3]-ladderane-octanyl)-sn-g... | 11060.25 | 7407.00 | 906.25 | 2083.75 | 1.00 | 10301.80 | 4618.00 | 7282.67 | |
| 19-(3-methyl-butanoyloxy)-villanovane-13alpha,17-diol | 9797.75 | 3557.33 | 1926.25 | 12187.50 | 2036.00 | 3061.60 | 3102.00 | 7571.50 | |
| 1-AG | 17212.75 | 1.00 | 39059.25 | 19764.75 | 27765.60 | 6996.80 | 27745.83 | 12504.50 | |
| 1-Aminocyclohexanecarboxylic acid | 1584464.25 | 1316577.33 | 482768.25 | 974616.50 | 1.00 | 2708417.80 | 407735.50 | 643903.33 | |
| 1-Aminocyclohexanecarboxylic acid + 7.5476794 | 38108.75 | 1.00 | 7453.50 | 13721.25 | 3693.00 | 17521.00 | 8652.67 | 12220.67 | |
| 1-Aminocyclohexanecarboxylic acid + 8.401059 | 123596.25 | 45641.33 | 30260.75 | 49200.50 | 20655.40 | 77138.60 | 28017.00 | 59480.83 | |
| 1-Hydroxy-2-acetamidofluorene | 183409.50 | 58931.00 | 65866.50 | 123806.25 | 5971.40 | 88831.40 | 57045.33 | 137449.33 | |
| 1-Methoxypyrene-6,7-oxide | 3153.25 | 1.00 | 1.00 | 3229.50 | 1290.40 | 2950.40 | 572.83 | 4054.00 | |
| 1-Methyladenine | 1.00 | 6408.00 | 1.00 | 2420.25 | 1.00 | 4466.80 | 1.00 | 1.00 | |
| 1-methylhistidine | 22541.00 | 19788.67 | 18648.25 | 15927.50 | 9653.60 | 31374.00 | 19093.50 | 17803.83 | |
| 1-Nitronaphthalene-5,6-oxide | 28662.25 | 68904.00 | 16531.00 | 22543.25 | 3003.00 | 81582.80 | 12430.17 | 15615.50 | |
| 1-Phenyl-2-(diethylamino)-1-propanol | 6737.00 | 9854.33 | 3701.50 | 8247.25 | 4540.20 | 12808.80 | 2220.00 | 10789.67 | |
| 21-Hydroxy-5?-pregnane-3,11,20-trione | 52760.00 | 171440.33 | 64019.75 | 110780.25 | 65487.80 | 159392.00 | 98467.83 | 106460.33 | |
| (22Z)-1?-hydroxy-22,23-didehydrovitamin D3 / (22Z)-1?-hydrox... | 29306.75 | 61561.00 | 52529.75 | 19187.00 | 29898.00 | 45717.80 | 11455.67 | 22539.33 | |
| 2,3-dinor-11b-PGF2? | 80459.50 | 10643.67 | 82540.75 | 73940.75 | 130938.60 | 28829.20 | 92890.67 | 34114.83 | |
| 2-(3^-Methylthio)propylmalic acid | 2220.00 | 13438.00 | 12767.25 | 13225.25 | 13702.00 | 4828.40 | 11182.83 | 13706.50 | |
| 2-(3^-Methylthio)propylmalic acid + 1.0449985 | 122846.25 | 158625.00 | 135623.25 | 238859.00 | 153510.40 | 139927.00 | 121471.83 | 136504.17 | |
| (23S)-3?,7?,23-Trihydroxy-5?-cholan-24-oic Acid | 10566.75 | 11404.00 | 1.00 | 6662.75 | 1.00 | 8882.80 | 1558.67 | 7790.17 | |
| (23S)-3?,7?,23-Trihydroxy-5?-cholan-24-oic Acid + 1.8877333 | 156634.50 | 50488.67 | 2348.75 | 178174.75 | 28411.40 | 541855.60 | 47689.67 | 236762.67 | |
| 24,25-epoxy-cholesterol | 202172.75 | 72002.00 | 299139.75 | 291577.50 | 143544.60 | 89504.00 | 155240.83 | 84597.67 | |
| 2,4,6,8-decatetraenal | 11210.75 | 13822.33 | 1.00 | 5664.50 | 4432.40 | 13153.60 | 1.00 | 3000.83 | |
| 2,4-Dihydroxybenzophenone | 93885.50 | 67514.67 | 40056.25 | 92027.25 | 74121.00 | 94004.60 | 54689.33 | 70558.17 | |
| 26-Hydroxycastasterone | 3170.00 | 1.00 | 1.00 | 1.00 | 13869.00 | 10538.40 | 6099.00 | 3679.50 | |
| 2-(6^-Methylthio)hexylmalic acid | 876392.25 | 545540.33 | 357672.75 | 569885.00 | 273833.60 | 875063.00 | 279509.50 | 409590.33 | |
| 2alpha-(Hydroxymethyl)-5alpha-androstane-3beta,17beta-diol | 104790.50 | 18393.33 | 44985.00 | 53625.00 | 127772.40 | 20523.60 | 26951.33 | 33242.83 | |
| (2-Chlorophenyl)diphenylmethane | 2682.00 | 9031.33 | 1.00 | 1.00 | 651.20 | 23183.00 | 1559.67 | 879.83 | |
| 2-Cyanopyridine | 85600.25 | 1.00 | 10391.25 | 45369.25 | 1.00 | 86841.40 | 1.00 | 12689.00 | |
| 2^-Deoxyuridine | 62779.50 | 33914.00 | 20458.00 | 8638.50 | 18087.00 | 140080.40 | 16474.17 | 16566.83 | |
| 2-Fluoroaniline | 46104.50 | 37489.33 | 39325.00 | 38837.25 | 44213.60 | 34614.80 | 38950.83 | 47262.17 | |
| 2-Fluoroaniline + 1.5872291 | 23484.75 | 42054.00 | 15700.00 | 46704.50 | 57060.80 | 46554.80 | 37274.83 | 40895.33 | |
| 2-Formyl-1-indanone | 39364.00 | 9189.00 | 9209.75 | 29067.00 | 1.00 | 13854.20 | 5709.00 | 38410.50 | |
| 2^-Hydroxydihydrodaidzein | 21376.25 | 9132.00 | 8483.75 | 19508.25 | 4969.00 | 6949.20 | 2958.17 | 9913.83 | |
| 2-Hydroxyfelbamate | 22246.50 | 2878.00 | 6555.00 | 9913.25 | 6616.60 | 10100.20 | 5130.67 | 4823.83 | |
| 2-Methylbutyrylglycine | 227634.75 | 753157.33 | 555911.00 | 748077.75 | 566034.00 | 668740.40 | 654077.83 | 848467.00 | |
| 2^-O-Methyladenosine | 181476.75 | 69695.33 | 63696.00 | 93725.00 | 80466.40 | 108607.40 | 53351.83 | 79416.83 | |
| 2-oxo-5-amino-pentanoic acid | 73197.50 | 36719.00 | 34757.75 | 45321.25 | 2798.80 | 55512.40 | 34953.83 | 31770.17 | |
| 2-Oxo-9-methylthiononanoic acid | 12908.75 | 1.00 | 22397.25 | 17352.00 | 54128.60 | 1.00 | 25253.17 | 13476.00 | |
| 2-Oxo-delta3-4,5,5-trimethylcyclopentenylacetate | 51845.75 | 152290.67 | 31544.50 | 66413.25 | 92493.60 | 91140.00 | 56218.50 | 66519.67 | |
| 2R-amino-butanoic acid + 6.82218 | 118612.00 | 129563.33 | 86191.50 | 146816.25 | 63847.60 | 187027.20 | 72946.00 | 192547.83 | |
| 2S-amino-pentanoic acid | 166645.25 | 124874.00 | 116483.25 | 90652.25 | 98264.80 | 132394.20 | 97431.83 | 113696.50 | |
| 2S-amino-pentanoic acid + 1.9324512 | 298320.75 | 74157.00 | 163298.00 | 119041.75 | 132717.60 | 182218.00 | 116342.33 | 86849.50 | |
| 2S-amino-pentanoic acid + 6.319823 | 1805850.50 | 1464256.33 | 845214.50 | 1191682.25 | 1015445.80 | 2436158.20 | 720176.67 | 1021555.00 | |
| 2S-amino-pentanoic acid + 6.656693 | 751153.00 | 691419.67 | 295835.00 | 194500.50 | 19246.60 | 719986.00 | 219856.33 | 49899.33 | |
| 2S-amino-pentanoic acid + 6.959881 | 43250000.00 | 29933333.33 | 29875000.00 | 37050000.00 | 32260000.00 | 45060000.00 | 29183333.33 | 32433333.33 | |
| 2S-amino-tridecanoic acid | 37146.25 | 14643.00 | 32836.50 | 26681.75 | 28699.80 | 37715.20 | 30289.33 | 27794.83 | |
| 2S-amino-tridecanoic acid + 6.56059 | 13256.50 | 8183.00 | 14356.25 | 9167.25 | 11753.40 | 14752.00 | 5939.67 | 10899.83 | |
| 3?,11?-Dihydroxy-12-oxo-5?-cholan-24-oic Acid | 6118.25 | 4637.00 | 24991.00 | 18575.25 | 8549.00 | 16689.20 | 11224.33 | 9229.83 | |
| 3,3^-Biflaviolin | 14840.25 | 9087.67 | 9394.25 | 4681.00 | 10163.60 | 14082.80 | 5764.33 | 8483.67 | |
| 3,4-Dihydroxybenzylamine | 17899.25 | 1.00 | 40670.00 | 21549.50 | 37075.00 | 11842.80 | 31642.83 | 7339.50 | |
| 3-(a-Naphthoxy)lactic acid glucuronide | 144779.25 | 32747.67 | 25697.50 | 42567.75 | 120657.40 | 34043.80 | 1.00 | 127529.83 | |
| 3b,17a,21-Trihydroxypregnenone | 33245.50 | 61673.67 | 15716.25 | 24123.50 | 35513.20 | 56524.00 | 12407.33 | 55866.83 | |
| 3b,17a,21-Trihydroxypregnenone + 1.4572551 | 20795.50 | 29864.67 | 11357.75 | 12533.25 | 25343.40 | 34597.60 | 21416.83 | 39679.00 | |
| 3beta-hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carba... | 230396.75 | 179178.67 | 143777.50 | 133008.50 | 229621.20 | 183462.00 | 154065.67 | 155166.67 | |
| 3-Buten-1-amine | 376637.25 | 317981.67 | 187827.00 | 256151.25 | 217985.20 | 506077.20 | 164312.17 | 219756.33 | |
| 3-Butynoate | 41990.75 | 15700.67 | 16811.25 | 24816.75 | 7655.00 | 21431.20 | 14612.17 | 27183.67 | |
| 3-Butynoate + 1.091489 | 1.00 | 1.00 | 1.00 | 1.00 | 9629.40 | 1.00 | 1.00 | 1.00 | |
| 3-Cyano-L-alanine | 67905.25 | 59830.33 | 31440.50 | 103589.00 | 40060.40 | 72038.00 | 45456.00 | 25503.83 | |
| 3?-Hydroxy-12-oxo-5?-chol-6-en-24-oic Acid | 15164.75 | 1.00 | 1.00 | 8010.25 | 5192.80 | 48694.40 | 45313.83 | 10593.67 | |
| 3-Hydroxy-4-methoxyphenylacetic acid | 1.00 | 71393.33 | 46682.00 | 51394.00 | 1.00 | 70697.40 | 35137.00 | 33885.83 | |
| 3-Hydroxy-4-methylanthranilate | 213900.25 | 404882.67 | 195249.50 | 333533.50 | 139776.40 | 387257.80 | 134690.33 | 215524.00 | |
| 3-Hydroxy-palmitic acid methyl ester | 5892.00 | 12335.00 | 1705.00 | 6130.50 | 1881.80 | 1.00 | 3557.00 | 3575.17 | |
| 3-Hydroxysuberic acid | 10995.00 | 15853.00 | 23736.00 | 13310.75 | 18111.80 | 5120.40 | 18382.83 | 81476.33 | |
| 3-Imidazole-2-oxopropanoate | 31890.50 | 24788.33 | 8390.00 | 17736.75 | 9310.80 | 33559.80 | 1.00 | 21736.00 | |
| 3-Indoleacetic Acid | 113833.25 | 53618.33 | 18490.50 | 23680.75 | 18772.00 | 72081.80 | 37182.67 | 52185.00 | |
| 3-ketosphinganine | 72901.00 | 45449.67 | 42336.25 | 67602.00 | 64655.60 | 51524.00 | 40957.83 | 49741.50 | |
| 3-ketosphingosine | 35756.00 | 14112.00 | 1747.00 | 19122.75 | 11336.40 | 18233.80 | 15357.50 | 9348.83 | |
| 3-methoxy Prostaglandin F1? | 100515.25 | 6994.00 | 74564.00 | 1.00 | 30899.60 | 48885.80 | 74822.83 | 5963.67 | |
| 3-Methyl-2-butenoic acid | 31309.75 | 25691.33 | 4329.00 | 3360.50 | 12328.80 | 20973.00 | 5213.33 | 18207.33 | |
| 3-Methyl-quinolin-2-ol | 1022446.25 | 466657.33 | 98180.75 | 184914.75 | 111752.00 | 907456.80 | 216256.67 | 733196.83 | |
| 3-O-Methylanhydrotuberosin | 1311.00 | 1527.00 | 2638.00 | 1195.50 | 1.00 | 4331.00 | 471.17 | 1.00 | |
| 3-oxo-dodecanoic acid | 3324.50 | 1.00 | 13905.25 | 10602.00 | 31423.60 | 3399.60 | 11206.33 | 2242.83 | |
| 3R-aminononanoic acid | 7992.75 | 20889.00 | 8752.50 | 7847.25 | 1.00 | 29297.00 | 1.00 | 1.00 | |
| (3Z,6Z,9Z)-dodecatrienol | 46659.00 | 36920.33 | 60518.75 | 23839.25 | 56277.80 | 34594.80 | 67815.83 | 48641.67 | |
| 4,4-difluoro-1?,25-dihydroxyvitamin D3 / 4,4-difluoro-1?,25-... | 35521.50 | 27324.67 | 14379.25 | 29370.50 | 30135.60 | 41094.40 | 37843.67 | 7165.67 | |
| 4,5,6,7-Tetrahydroisoxazolo(5,4-c)pyridin-3-ol | 142402.50 | 88203.33 | 48720.25 | 72578.50 | 47159.40 | 81564.00 | 61298.50 | 61544.00 | |
| 4,6-Dihydroxyquinoline | 9892.00 | 58616.00 | 13866.50 | 1.00 | 1.00 | 56124.00 | 5248.83 | 1.00 | |
| 4,7,10,13-Hexadecatetraenoic acid | 29701.75 | 16467.00 | 9975.50 | 16661.50 | 7239.80 | 4515.60 | 23696.33 | 7759.50 | |
| 4-Acetamido-2-amino-6-nitrotoluene | 22956.50 | 42209.00 | 11366.75 | 16836.25 | 3950.00 | 49168.00 | 9225.83 | 3798.33 | |
| 4alpha-formyl-4beta-methyl-5alpha-cholesta-8,24-dien-3beta-o... | 66644.25 | 34122.00 | 37447.50 | 28406.75 | 77267.40 | 49862.40 | 29060.67 | 31322.83 | |
| 4-Dodecylphenol | 20999.75 | 23820.00 | 21570.00 | 7881.50 | 17925.20 | 17276.20 | 12418.83 | 12420.83 | |
| 4-Heptyloxyphenol | 109622.25 | 24711.67 | 62226.50 | 86123.50 | 107255.60 | 127215.40 | 147074.33 | 54519.00 | |
| 4-Hydroxyaminoquinoline N-oxide | 53923.75 | 30499.33 | 26133.00 | 43915.00 | 38707.80 | 31370.40 | 32322.67 | 24385.00 | |
| 4-Hydroxyindole | 240864.75 | 728378.00 | 280392.50 | 204425.25 | 88347.00 | 621791.40 | 234234.67 | 155757.83 | |
| 4-Methylaminobutanal | 4872.25 | 7448.00 | 8219.00 | 15334.75 | 1.00 | 6849.80 | 7575.50 | 7658.50 | |
| 4-Methylene-L-glutamine | 639406.75 | 123290.00 | 37293.50 | 107979.75 | 53261.80 | 1136495.80 | 51845.83 | 91419.33 | |
| 4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol glucuronide | 83934.50 | 1.00 | 33847.75 | 26700.25 | 55136.20 | 7374.00 | 20463.33 | 3254.00 | |
| 4-Nitroaniline | 190005.50 | 199873.33 | 257933.75 | 288617.75 | 439950.20 | 254394.40 | 287740.83 | 220269.50 | |
| 4-Nitroaniline + 2.7460015 | 1102427.00 | 2572674.00 | 2982623.25 | 2247686.00 | 2224571.40 | 1827349.60 | 2927312.83 | 1969098.00 | |
| 4-Nitroaniline + 3.668444 | 763496.75 | 285222.67 | 312386.50 | 578383.75 | 226311.40 | 396740.80 | 268608.33 | 272239.67 | |
| 4-oxo-2-Nonenal | 31892.50 | 1.00 | 87683.25 | 37759.00 | 239467.00 | 25352.80 | 37823.00 | 28625.00 | |
| 4-oxo-9Z,11E,13E-octadecatrienoic acid | 163613.50 | 27706.33 | 137246.00 | 132073.25 | 156969.20 | 47494.40 | 112533.33 | 97467.67 | |
| 4-Vinylcyclohexene | 109652.50 | 106027.67 | 97481.00 | 57463.50 | 86074.20 | 63283.60 | 90055.50 | 83614.17 | |
| 5-(1-Hydroxyethyl)-4-methylthiazole | 28133.25 | 14432.67 | 3476.25 | 11821.00 | 1.00 | 30833.80 | 1.00 | 11226.33 | |
| 5,6-Dihydrouridine | 36584.25 | 28712.67 | 43513.00 | 45689.00 | 35620.40 | 34940.80 | 33412.17 | 31341.17 | |
| 5,6-Dihydroxy-3-methyl-2-oxo-1,2,5,6-tetrahydroquinoline | 75947.75 | 134625.67 | 66300.50 | 248713.50 | 54747.00 | 125871.00 | 37889.00 | 48386.33 | |
| 5,6-epoxy-18R-HEPE | 33290.75 | 1.00 | 37593.50 | 24582.25 | 66846.00 | 10515.20 | 35357.83 | 2602.50 | |
| 5,6-Indolequinone-2-carboxylic acid | 60921.00 | 42181.00 | 36059.75 | 25482.25 | 41638.00 | 71994.40 | 22821.83 | 48487.33 | |
| 5,7,2^-Trihydroxy-3,6,4^,5^-tetramethoxyflavone | 94803.00 | 157306.00 | 272879.00 | 150405.75 | 186428.80 | 242748.80 | 67834.17 | 374337.50 | |
| 5-Aminopentanamide | 9717.25 | 17746.33 | 7858.75 | 11659.75 | 6058.40 | 13043.80 | 5213.00 | 5307.50 | |
| 5?-Chola-3,8(14),11-trien-24-oic Acid | 66270.75 | 9773.33 | 1.00 | 57516.75 | 3985.80 | 171440.20 | 13857.17 | 38632.83 | |
| 5?-Cholane-3?,7?,23,24-tetrol | 10898.75 | 2990.33 | 3519.00 | 11614.50 | 6078.20 | 509.00 | 3223.67 | 9118.33 | |
| 5?-Deoxy-5?-(methylthio)adenosine | 14541.50 | 10855.67 | 1.00 | 10601.50 | 2453.40 | 7840.60 | 3409.83 | 6932.83 | |
| 5-Dodecenoic acid | 5802.00 | 7021.00 | 5870.50 | 8647.25 | 13186.20 | 5549.80 | 8070.50 | 8253.00 | |
| 5-hexenal | 184166.50 | 124750.67 | 51983.75 | 99025.75 | 62520.00 | 90325.40 | 40337.17 | 1.00 | |
| 5-Hydroxy-3,6,7,2^,4^,5^-hexamethoxyflavone | 10367.25 | 40063.33 | 17947.50 | 4714.25 | 1.00 | 35438.00 | 3846.83 | 1.00 | |
| 5-Hydroxyindoleacetic acid | 1.00 | 14933.33 | 4183.75 | 6137.75 | 1.00 | 12731.80 | 1.00 | 2040.83 | |
| 5-Hydroxytryptophan | 10484.50 | 1.00 | 18019.25 | 21203.75 | 18252.00 | 7490.80 | 6993.83 | 4913.83 | |
| 5-Methoxytryptophan | 15863.25 | 14578.67 | 2901.75 | 4803.25 | 1523.60 | 7555.00 | 4356.00 | 6528.33 | |
| 5-Methylcytidine | 101612.00 | 90114.67 | 57450.50 | 90810.00 | 54116.40 | 137950.40 | 50747.67 | 96940.00 | |
| 5-Methylcytidine + 6.077912 | 7805.00 | 5559.67 | 1330.50 | 1799.50 | 1459.60 | 2709.40 | 1.00 | 2822.50 | |
| 5-Methylcytidine + 9.106024 | 9780402.25 | 1223162.00 | 1197019.50 | 1158820.50 | 1039078.80 | 10653348.60 | 973765.00 | 943187.33 | |
| 5-Methylcytosine | 68647.00 | 66815.33 | 47868.75 | 56064.25 | 36859.40 | 90149.00 | 42960.83 | 46290.50 | |
| 5-Methyldeoxycytidine | 33164.75 | 28130.33 | 24034.50 | 27020.00 | 20982.80 | 38648.20 | 22162.83 | 25942.00 | |
| 5-Methylthioribose | 117965.75 | 94866.33 | 62076.25 | 64995.75 | 68800.20 | 122697.80 | 46334.83 | 48573.17 | |
| 5-O-?-D-Mycaminosyltylactone | 23872.25 | 20597.00 | 20129.00 | 17977.00 | 18093.00 | 21920.80 | 16419.67 | 18089.83 | |
| 5-O-(Indol-3-ylacetyl-myo-inositol) D-galactoside | 1.00 | 3015.00 | 1.00 | 1.00 | 1.00 | 8574.00 | 1.00 | 1774.67 | |
| 5-Oxoavermectin ^^1a^^ aglycone | 3584.00 | 2208.00 | 2292.25 | 1128.75 | 878.40 | 4788.80 | 3969.67 | 2180.83 | |
| 6-Gingerol | 5580.50 | 3993.00 | 1.00 | 1.00 | 1.00 | 5990.00 | 601.83 | 2609.83 | |
| 6-Hydroxynicotine (R) | 184422.75 | 8216.33 | 23185.00 | 6332.50 | 14253.20 | 25119.20 | 12919.00 | 19316.50 | |
| 6^-Hydroxysiphonaxanthin | 3887.25 | 31136.67 | 1.00 | 1937.00 | 7833.40 | 25844.20 | 1716.17 | 24065.50 | |
| 6-keto PGE1 | 67399.00 | 1.00 | 48052.25 | 29429.50 | 91183.40 | 1.00 | 25655.00 | 18854.00 | |
| 6-methyltetrahydropterin | 39910.50 | 15039.00 | 9144.00 | 20851.25 | 26198.00 | 28345.00 | 11171.17 | 19977.83 | |
| (6S)-dehydrovomifoliol | 22047.25 | 34417.67 | 12136.75 | 31378.75 | 1.00 | 34815.20 | 17653.00 | 7647.50 | |
| 7,8-Diaminononanoate | 280324.25 | 81558.67 | 57091.25 | 66156.25 | 47031.60 | 250229.20 | 50859.33 | 74550.67 | |
| 7a-Hydroxy-3-oxo-4-cholenoic acid | 16276.00 | 44643.33 | 16235.25 | 19484.75 | 27838.40 | 24340.80 | 49762.67 | 53163.50 | |
| 7-Mercaptoheptanoylthreonine | 21655.50 | 29193.67 | 23094.50 | 20196.25 | 2950.60 | 54477.40 | 24471.50 | 16886.50 | |
| 7-Methylguanine | 259842.25 | 249442.00 | 150377.25 | 243569.50 | 136861.00 | 299801.80 | 141355.33 | 160537.50 | |
| 7S,8S-dihydroxy-9Z,12Z,15Z-octadecatrienoic acid | 469511.00 | 66099.00 | 378126.00 | 351900.50 | 498365.40 | 123010.80 | 249778.67 | 143445.67 | |
| 8-hydroxy Guanosine | 8448.50 | 2142.33 | 2541.00 | 7632.75 | 3831.40 | 3683.00 | 5817.00 | 793.17 | |
| 8(S)-HETrE | 2546.75 | 11752.00 | 2097.25 | 4845.25 | 1990.40 | 15338.80 | 1076.67 | 3597.00 | |
| (±)9,10-DiHOME | 201351.75 | 244712.33 | 175449.00 | 205762.50 | 207270.60 | 200631.80 | 163751.50 | 132654.33 | |
| (±)9,10-DiHOME + 1.0888939 | 1.00 | 1.00 | 3402.75 | 1.00 | 32375.80 | 1.00 | 1.00 | 1.00 | |
| 9,12-dioxo-dodecanoic acid | 1.00 | 5549.33 | 7344.75 | 3184.50 | 10090.80 | 3100.60 | 14820.50 | 2342.17 | |
| 9,12-octadecadienal | 13575.75 | 39444.33 | 3513.75 | 15246.00 | 23343.20 | 28587.60 | 17254.33 | 15885.67 | |
| 9-dodecynoic acid | 21756.00 | 1.00 | 25590.00 | 39295.25 | 22544.20 | 18126.80 | 16236.00 | 12551.50 | |
| 9E-heptadecenoic acid | 5794.25 | 9253.33 | 20758.50 | 8112.75 | 11951.20 | 2111.40 | 2626.33 | 2718.17 | |
| 9(S)-HpOTrE | 15300.50 | 1.00 | 80525.25 | 44773.25 | 93486.40 | 10240.40 | 13624.17 | 17598.67 | |
| 9Z-undecenoic acid | 1.00 | 1.00 | 1.00 | 1.00 | 2876.00 | 2402.80 | 12733.33 | 1286.83 | |
| Acetoacetic acid | 27061.00 | 5487.67 | 14284.00 | 11136.75 | 3652.60 | 22436.80 | 10471.17 | 5191.17 | |
| Acetone cyanohydrin | 186048.75 | 104150.33 | 69342.00 | 123038.00 | 80332.80 | 131380.80 | 69589.50 | 92725.33 | |
| Acetophenazine | 2390.25 | 1.00 | 4632.00 | 1.00 | 11934.80 | 1.00 | 1.00 | 1.00 | |
| Acetylsulfamethoxazole | 8314.25 | 14240.33 | 1.00 | 8816.25 | 9398.00 | 9778.40 | 10337.67 | 8787.33 | |
| Adenine | 195493.50 | 38937.00 | 54520.25 | 58365.25 | 52390.60 | 128095.40 | 52275.67 | 65659.00 | |
| Adenine + 3.1587083 | 9394.00 | 1.00 | 1.00 | 9560.00 | 1.00 | 24262.60 | 29276.33 | 55757.50 | |
| (+)-Adlumine | 9628.00 | 1.00 | 12300.75 | 9042.50 | 14687.80 | 8379.00 | 4381.50 | 1971.17 | |
| AK-toxin I | 27829.00 | 1.00 | 21503.25 | 14713.00 | 16346.40 | 4355.80 | 8803.83 | 695.67 | |
| Alanine | 29964.50 | 13093.00 | 4812.00 | 22912.25 | 14710.80 | 6576.60 | 6449.83 | 7105.83 | |
| Allantoin | 912745.00 | 757644.67 | 609011.50 | 784032.00 | 762272.20 | 850044.60 | 603759.33 | 661838.33 | |
| alpha-D-galactosyl undecaprenyl diphosphate | 527841.75 | 392636.00 | 140833.00 | 77950.25 | 121543.40 | 477254.00 | 248840.00 | 343572.33 | |
| alpha-Ionone | 66411.50 | 76457.00 | 47731.25 | 33527.00 | 17728.60 | 64752.20 | 42523.17 | 61991.17 | |
| alpha-Methylstyrene | 184338.00 | 168594.00 | 144031.75 | 148962.25 | 128246.40 | 175901.00 | 157780.33 | 132197.00 | |
| Alpinine | 35533.75 | 1.00 | 75802.00 | 68965.25 | 79963.60 | 5987.40 | 39553.17 | 7703.17 | |
| a-L-Rhamnose | 53626.75 | 50302.33 | 50118.25 | 52485.25 | 42247.20 | 41950.40 | 32906.67 | 50650.00 | |
| Amikacin | 8498.75 | 1.00 | 15206.75 | 13973.25 | 6413.60 | 4236.60 | 6868.50 | 1.00 | |
| aminocaproic acid | 161189.75 | 87985.67 | 61668.00 | 50685.50 | 66127.80 | 109933.00 | 103792.50 | 111057.50 | |
| Aminopentol | 3740.50 | 4983.00 | 2191.50 | 10315.75 | 1548.00 | 5976.20 | 6169.67 | 4079.17 | |
| Amiprilose | 47043.50 | 2399.67 | 2984.25 | 4960.25 | 1.00 | 48412.40 | 2391.00 | 1.00 | |
| Ammothamnine | 94350.75 | 79261.33 | 36058.50 | 11292.00 | 33752.40 | 108898.80 | 21585.00 | 56033.00 | |
| Androst-4-ene-3alpha,17beta-diol diacetate | 2091.25 | 15623.67 | 6061.50 | 8777.75 | 7879.00 | 1270.60 | 5077.67 | 6826.83 | |
| Androsterone | 12609.00 | 9347.33 | 3230.25 | 29114.50 | 17463.20 | 18809.60 | 14871.67 | 19677.50 | |
| Angustibalin | 15153.50 | 15853.67 | 12650.50 | 16273.25 | 17189.80 | 16368.00 | 13539.00 | 18878.33 | |
| Aniracetam | 58423.25 | 14392.67 | 47119.25 | 47364.75 | 39399.00 | 39336.40 | 43503.83 | 23922.50 | |
| Ankorine | 1.00 | 1.00 | 1.00 | 1.00 | 8077.80 | 1.00 | 1.00 | 1.00 | |
| AP 23573 | 3769.00 | 3379.00 | 888.50 | 2077.25 | 1347.80 | 5626.20 | 528.33 | 7887.67 | |
| Arg Arg Arg | 2564.00 | 3374.67 | 1812.75 | 1855.00 | 2163.60 | 4809.60 | 3806.00 | 5203.83 | |
| Arg Arg Met | 2603.50 | 4471.67 | 1547.25 | 1569.50 | 9280.40 | 2684.40 | 4983.83 | 9515.17 | |
| Arg-OEt | 707851.00 | 124010.67 | 63931.25 | 90596.00 | 92283.40 | 796026.60 | 60048.17 | 151981.83 | |
| Ascidiacyclamide | 17884.00 | 22981.00 | 35911.25 | 35657.75 | 26591.80 | 37515.20 | 21794.83 | 33286.17 | |
| Asn-Abu-OH | 28934.25 | 2568.33 | 1923.50 | 3166.50 | 854.80 | 22056.20 | 1.00 | 689.67 | |
| Asn Cys Cys | 17029.75 | 16348.00 | 18224.75 | 8909.25 | 9766.20 | 38849.00 | 6030.50 | 5126.83 | |
| Astrasieversianin XVI | 28630.75 | 34119.33 | 23698.75 | 19282.50 | 26156.40 | 42644.60 | 46530.67 | 59086.00 | |
| Athamantin | 13016.50 | 3629.00 | 16624.75 | 8937.25 | 12998.60 | 10096.80 | 10084.67 | 3324.33 | |
| Athamantin + 1.2098414 | 51860.25 | 1.00 | 141703.50 | 30425.25 | 3081.00 | 13219.60 | 45888.50 | 21920.33 | |
| Aureothin | 735046.25 | 20154.33 | 194538.00 | 186268.50 | 195294.60 | 138236.20 | 138306.33 | 84851.33 | |
| Avocadyne acetate | 7536.00 | 3986.00 | 20507.00 | 1.00 | 10847.00 | 25495.40 | 7728.83 | 3695.00 | |
| Azaconazole | 7863.00 | 1.00 | 1024.00 | 1.00 | 2853.00 | 5835.60 | 1965.83 | 4903.17 | |
| Barringtogenol C | 65735.75 | 68001.00 | 79907.75 | 114854.75 | 39810.60 | 128523.80 | 45342.17 | 92601.33 | |
| Batatasin IV | 3624.50 | 1.00 | 19374.75 | 22311.75 | 8940.60 | 1.00 | 23116.33 | 17465.00 | |
| Batrachotoxin | 19556.50 | 21292.33 | 1.00 | 2423.25 | 1899.80 | 26612.60 | 2496.00 | 11621.33 | |
| Belladonnine | 14740.50 | 5270.00 | 1.00 | 6078.50 | 1549.00 | 2986.00 | 697.33 | 5785.33 | |
| Bergenin | 12620.00 | 2534.67 | 3469.50 | 4354.50 | 11782.20 | 7715.40 | 1776.00 | 7114.50 | |
| beta-D-Glucosyl-1,4-N-acetyl-D-glucosaminyldiphosphoundecapr... | 16459.25 | 12225.00 | 4470.25 | 1.00 | 9631.20 | 20251.80 | 2607.83 | 16146.33 | |
| Biliverdin IX | 5531.50 | 14602.33 | 1.00 | 25599.25 | 1.00 | 13838.80 | 1.00 | 8429.33 | |
| Bisindolylmaleimide I | 15513.75 | 16192.00 | 19820.00 | 6023.50 | 21784.20 | 17539.40 | 10557.17 | 6621.33 | |
| Bitolterol | 26361.25 | 1.00 | 23449.25 | 18065.00 | 40183.00 | 8280.00 | 17290.50 | 4040.50 | |
| Borreverine | 22017.75 | 26501.33 | 1.00 | 10594.75 | 10684.20 | 28176.60 | 5902.33 | 17628.33 | |
| Boschnialactone + 1.2586726 | 238162.00 | 141596.33 | 39904.50 | 73410.25 | 93124.60 | 263650.20 | 52058.83 | 118059.17 | |
| Bryotoxin A | 10230.50 | 17062.33 | 10839.50 | 15592.25 | 7089.20 | 19742.20 | 4481.33 | 9329.67 | |
| Bufadienolide + 1.8836479 | 6697.75 | 10047.33 | 1.00 | 3434.75 | 2258.60 | 1.00 | 4106.67 | 34966.83 | |
| Buprenorphine | 16485.25 | 5475.67 | 4148.50 | 2753.00 | 1163.00 | 7293.20 | 2146.33 | 4803.33 | |
| Buprenorphine + 6.8252945 | 47802.50 | 46102.33 | 40798.75 | 47824.75 | 38438.60 | 36293.60 | 31290.00 | 26052.67 | |
| Buprenorphine + 6.915001 | 847706.25 | 374572.67 | 348684.50 | 544809.00 | 318944.20 | 393767.40 | 284319.00 | 282035.00 | |
| Buspirone | 248105.00 | 109574.33 | 87552.25 | 91930.00 | 257997.80 | 138356.60 | 111488.83 | 77741.67 | |
| Buspirone + 4.3572464 | 44645.50 | 36397.67 | 28881.00 | 36183.75 | 35731.00 | 39008.40 | 33283.33 | 35319.17 | |
| Butanone | 46423.75 | 43790.67 | 29485.75 | 27748.75 | 28882.80 | 68743.20 | 27855.83 | 46187.33 | |
| Butoctamide hydrogen succinate | 14900.25 | 1.00 | 1.00 | 9842.50 | 1814.40 | 3857.00 | 1745.33 | 7440.83 | |
| Butyric acid | 61929.75 | 1.00 | 41473.75 | 30661.25 | 43088.60 | 54334.40 | 33926.17 | 30016.83 | |
| C18-OH Sulfatide | 401185.25 | 369412.33 | 117565.25 | 1.00 | 74033.00 | 365635.20 | 112303.17 | 177678.50 | |
| C25:4 Highly branched isoprenoid B | 27785.75 | 2271.00 | 82050.25 | 57545.50 | 62741.00 | 1597.00 | 28112.83 | 8572.50 | |
| Caproic acid | 17038.50 | 3976.00 | 19389.25 | 9073.25 | 1.00 | 3468.40 | 13068.83 | 11545.67 | |
| ?-Caprolactam | 1365975.25 | 1108599.33 | 881802.75 | 619246.75 | 644532.40 | 1134302.00 | 673732.17 | 552667.17 | |
| Capryloylglycine | 286553.00 | 221399.33 | 243748.00 | 235493.25 | 229047.00 | 262550.60 | 255037.83 | 243798.00 | |
| Capsi-amide | 5105.00 | 10465.00 | 2440.50 | 6973.25 | 1.00 | 6051.60 | 1281.00 | 3037.33 | |
| ?-Captrolactone | 159319.00 | 212426.00 | 107731.00 | 103495.75 | 123330.20 | 140111.00 | 83118.17 | 76441.17 | |
| carboprost | 160668.00 | 5685.33 | 153061.75 | 67377.25 | 190513.60 | 68412.60 | 153946.50 | 5460.50 | |
| Carboxynorspermidine | 1729166.00 | 1108579.33 | 1117554.75 | 1356471.75 | 1277119.60 | 1822231.60 | 1053609.17 | 1205900.17 | |
| CE(20:4) | 17874.00 | 25269.67 | 1.00 | 10794.75 | 12351.20 | 36125.60 | 9799.33 | 41052.50 | |
| Ceramide (d18:1/16:0) | 23254.00 | 12001.00 | 13656.25 | 16270.50 | 22376.00 | 25916.00 | 11715.83 | 9797.00 | |
| Ceramide (d18:1/24:0) | 2190.00 | 3461.33 | 11455.25 | 10859.25 | 12856.60 | 2455.80 | 6550.67 | 7041.00 | |
| Ceramide (d18:1/24:1(15Z)) | 40436.50 | 22914.33 | 18756.50 | 18513.00 | 15254.80 | 35090.60 | 14882.67 | 18023.67 | |
| Cer(d18:2/16:0) | 4281.75 | 5244.33 | 7129.50 | 8461.50 | 2226.40 | 1032.60 | 2587.00 | 6775.67 | |
| Chalconaringenin 2^,4^-di-O-glucoside | 2802.50 | 1.00 | 6686.00 | 3069.25 | 1.00 | 16079.00 | 1634.00 | 1.00 | |
| Chaparrinone | 5017.50 | 1.00 | 1.00 | 30291.25 | 1.00 | 1109.60 | 2110.33 | 16428.33 | |
| Chaulmoogric acid | 115466.25 | 69835.00 | 71666.75 | 81179.25 | 137324.60 | 73265.60 | 64584.17 | 76518.00 | |
| Chivosazole F | 25106.75 | 1.00 | 72721.50 | 13478.00 | 60855.20 | 12226.80 | 41809.17 | 20116.00 | |
| Chivosazole F + 7.4589205 | 7885.75 | 1.00 | 30028.00 | 23281.25 | 26133.80 | 1.00 | 7420.50 | 3751.50 | |
| Chlorambucil | 28146.50 | 3021.67 | 1.00 | 4188.75 | 3585.40 | 38007.20 | 3950.50 | 3009.33 | |
| Chlorocresol | 11598.25 | 44818.33 | 25780.75 | 14377.25 | 24065.00 | 1.00 | 21887.67 | 25016.67 | |
| Chlorophyll b | 9660.50 | 12988.67 | 4573.75 | 7046.50 | 5118.00 | 13641.40 | 5381.33 | 4049.00 | |
| Cholestenone | 73311.75 | 58852.33 | 106931.25 | 54022.25 | 77101.80 | 56955.60 | 72682.67 | 46675.67 | |
| cholesteryl beta-D-glucoside | 35381.00 | 16239.00 | 34298.50 | 8433.00 | 1.00 | 53830.60 | 4477.33 | 18559.00 | |
| Cinnamyl alcohol | 69007.00 | 38451.00 | 54357.75 | 56524.25 | 61277.60 | 63231.00 | 62380.67 | 48092.33 | |
| Cinnamyl alcohol + 1.4422443 | 19159.25 | 10216.33 | 2297.75 | 4822.00 | 3835.60 | 11580.60 | 2964.00 | 4777.17 | |
| Cinnamyl alcohol + 1.5503812 | 54614.25 | 52992.00 | 50374.75 | 54814.25 | 39313.60 | 51349.00 | 44969.67 | 46204.00 | |
| clavirin II | 30989.75 | 6312.00 | 1372.00 | 13360.00 | 1646.00 | 5586.80 | 538.17 | 4863.83 | |
| Clitidine | 80509.75 | 91842.00 | 130355.00 | 94601.00 | 41947.00 | 143518.60 | 90262.67 | 26340.17 | |
| CMP-pseudaminic acid | 15920.00 | 12576.33 | 25110.25 | 27346.50 | 15809.40 | 37444.20 | 27387.67 | 4788.83 | |
| Compound III(S) | 7145.75 | 6834.67 | 20025.75 | 8310.25 | 13297.80 | 28734.20 | 17516.00 | 12908.67 | |
| Convoline | 55240.75 | 17989.67 | 20502.50 | 20583.00 | 19175.20 | 25770.20 | 24658.67 | 14860.50 | |
| Corey PG-Lactone Diol | 22934.00 | 1.00 | 5801.50 | 20204.00 | 16781.60 | 1.00 | 5425.00 | 16287.00 | |
| Corey PG-Lactone Diol + 1.133648 | 63318.25 | 1.00 | 72290.00 | 20906.00 | 105741.60 | 28944.80 | 71931.67 | 1.00 | |
| Creatine | 20825000.00 | 10779184.00 | 8025206.00 | 10787252.00 | 7601933.00 | 19387480.20 | 11654686.00 | 14453155.83 | |
| Creatinine | 16525000.00 | 17600000.00 | 12416355.00 | 12827315.25 | 8875838.20 | 19400000.00 | 11822840.00 | 7498735.67 | |
| Creatinine + 7.2947903 | 154513.00 | 28178.67 | 108751.75 | 136078.50 | 103013.40 | 98989.00 | 139331.50 | 132304.50 | |
| Cucurbitine | 275906.00 | 250373.00 | 241708.00 | 250144.75 | 257901.00 | 277707.20 | 245600.50 | 235578.00 | |
| Curacin A | 20563.00 | 15631.00 | 17230.75 | 15264.75 | 13958.00 | 21597.80 | 11309.17 | 13327.50 | |
| Cuscohygrine | 18850.50 | 11210.00 | 8428.75 | 9363.25 | 8382.60 | 31292.80 | 3527.33 | 12006.83 | |
| Cyclopamine | 4116.00 | 1.00 | 1.00 | 13852.25 | 874.40 | 1.00 | 1.00 | 605086.67 | |
| Cyclopropylamine | 23613.25 | 13625.00 | 9544.00 | 11947.50 | 15297.20 | 27804.00 | 9129.83 | 15354.33 | |
| Cys His Ser | 27148.25 | 1.00 | 6142.50 | 5637.25 | 2895.80 | 8506.60 | 7065.83 | 12791.00 | |
| Cytidine | 2528491.75 | 559483.00 | 668843.75 | 982602.50 | 1372376.40 | 844988.00 | 548175.33 | 966522.83 | |
| Cytochalasin B | 1307.25 | 13750.00 | 1.00 | 187939.50 | 77024.60 | 200098.80 | 36920.83 | 1716.67 | |
| Cytosine | 75778.50 | 68624.67 | 41674.50 | 76101.00 | 37012.00 | 105220.40 | 43583.50 | 75370.00 | |
| Cytosine + 4.227604 | 636632.50 | 247248.67 | 264092.75 | 369431.25 | 429899.20 | 374089.80 | 222394.00 | 352123.33 | |
| Cytosine + 4.314314 | 1163427.00 | 1108223.67 | 799301.25 | 1092873.25 | 836610.40 | 1184481.40 | 765759.17 | 864599.67 | |
| D-2-Aminobutyric acid | 31043.00 | 31481.00 | 27817.00 | 25128.00 | 8322.00 | 38934.40 | 24595.83 | 19686.00 | |
| D-2-Amino-hexano-6-lactam | 422614.00 | 176069.00 | 378528.75 | 386687.00 | 329662.40 | 108079.20 | 248546.67 | 458123.50 | |
| D-Alanine | 206769.75 | 147207.33 | 109417.25 | 123258.25 | 155042.80 | 183371.20 | 98234.33 | 116186.00 | |
| D-Alanine + 6.7376966 | 169909.25 | 254622.00 | 137149.00 | 105091.00 | 95554.40 | 383946.60 | 121951.33 | 128190.17 | |
| D-Alanine + 7.295138 | 159641.25 | 84101.00 | 66452.75 | 83474.25 | 67005.40 | 151588.00 | 94096.83 | 113573.33 | |
| Darlingine | 5342.25 | 1.00 | 25436.25 | 14760.50 | 28279.40 | 1.00 | 6662.17 | 8248.00 | |
| D-Asparagine | 86325.25 | 13297.33 | 121480.50 | 116993.00 | 83134.40 | 41854.80 | 53333.50 | 27396.33 | |
| D-Asparagine + 3.0625474 | 319676.75 | 81794.00 | 494081.75 | 331799.00 | 404604.60 | 175480.40 | 207182.33 | 105582.00 | |
| D-Asparagine + 3.5735521 | 2388898.25 | 1693591.67 | 1295777.25 | 1278701.00 | 1747545.20 | 2096458.80 | 1128846.33 | 1182660.00 | |
| D-Biotin | 1.00 | 1.00 | 30729.75 | 33172.75 | 17925.00 | 15180.00 | 16672.17 | 2692.83 | |
| d-Dethiobiotin | 12179.75 | 4501.33 | 28415.50 | 13195.75 | 12141.40 | 10036.20 | 10341.67 | 1932.33 | |
| d-Dethiobiotin + 4.5324354 | 241193.50 | 6929.00 | 328190.75 | 274819.50 | 177204.20 | 75847.20 | 124171.00 | 14703.33 | |
| Debneyol | 11152.00 | 17145.33 | 1.00 | 7128.00 | 12474.20 | 8554.60 | 1.00 | 5005.83 | |
| Decaline | 36703.00 | 1.00 | 54626.00 | 49525.50 | 65846.00 | 10657.40 | 30187.33 | 4967.33 | |
| Decaline + 7.456029 | 1.00 | 1.00 | 8239.00 | 5304.00 | 12507.40 | 1.00 | 2213.83 | 1.00 | |
| Decarbamoylsaxitoxin | 13110.00 | 19727.33 | 12519.25 | 16989.25 | 16833.00 | 15273.80 | 12866.83 | 15430.17 | |
| Demethyltexasin | 5462.25 | 19993.00 | 1668.25 | 23469.50 | 1.00 | 36302.40 | 1701.50 | 47664.00 | |
| Deoxycytidine | 1102575.75 | 748488.33 | 703060.50 | 805163.00 | 782890.80 | 850880.00 | 691649.67 | 904291.17 | |
| Deoxyguanosine | 538447.75 | 67741.00 | 173167.50 | 380297.25 | 265527.20 | 1043882.20 | 1072254.50 | 2612064.00 | |
| Deoxymiroestrol | 9891.50 | 28022.33 | 6820.00 | 11461.00 | 3645.60 | 22906.00 | 58776.17 | 12315.67 | |
| Deoxyvasicinone | 17869.00 | 1.00 | 2221.50 | 7388.25 | 3767.80 | 11186.80 | 6428.50 | 11108.83 | |
| Dextroamphetamine | 50291.50 | 91309.33 | 87322.75 | 87766.00 | 94503.80 | 37604.60 | 87416.67 | 93660.50 | |
| DG(15:0/16:1(9Z)/0:0) | 8247.75 | 13324.33 | 5837.75 | 2682.00 | 1.00 | 18063.60 | 14495.83 | 12087.00 | |
| DG(15:0/18:4(6Z,9Z,12Z,15Z)/0:0) | 42923.75 | 48049.00 | 9091.00 | 40860.50 | 69523.20 | 30146.00 | 9179.33 | 8891.00 | |
| DG(15:0/22:5(7Z,10Z,13Z,16Z,19Z)/0:0) | 1.00 | 962.00 | 1326.25 | 1765.25 | 847.60 | 6471.20 | 3955.50 | 4570.50 | |
| DG(15:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0) | 24110.50 | 1.00 | 65336.50 | 28678.50 | 53445.20 | 3449.20 | 44027.50 | 4455.00 | |
| DG(18:2(9Z,12Z)/18:3(6Z,9Z,12Z)/0:0) | 3451.50 | 23891.00 | 1.00 | 26952.75 | 12975.00 | 89535.60 | 28451.50 | 15608.17 | |
| DG(18:3(6Z,9Z,12Z)/20:4(5Z,8Z,11Z,14Z)/0:0) | 9188.25 | 1.00 | 1.00 | 1.00 | 1.00 | 64147.80 | 25209.17 | 45082.67 | |
| DG(20:3(5Z,8Z,11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0) | 10476.00 | 16412.00 | 18714.00 | 12396.25 | 8941.60 | 11270.40 | 15677.67 | 9663.50 | |
| DG(22:4(7Z,10Z,13Z,16Z)/22:2(13Z,16Z)/0:0) | 168292.25 | 191522.33 | 175237.00 | 210154.00 | 182855.40 | 177289.60 | 215138.00 | 180564.33 | |
| DG(22:4(7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z)/0:0) | 39427.00 | 58824.67 | 56440.25 | 62774.50 | 55704.80 | 56478.60 | 51895.67 | 34383.67 | |
| DGDG(18:2(9Z,12Z)/18:2(9Z,12Z)[15(R)OH-18:2(9Z,12Z]) | 469.75 | 7299.67 | 1.00 | 2150.00 | 1986.00 | 12508.60 | 4748.83 | 2643.17 | |
| ?-D-Glucose | 4492218.50 | 2764049.67 | 4146020.75 | 3728100.75 | 5560269.60 | 1103554.00 | 7862630.83 | 4178490.00 | |
| D-Glucosyldihydrosphingosine | 164584.50 | 271833.67 | 429438.50 | 203879.50 | 256909.80 | 175026.40 | 314465.17 | 398703.83 | |
| Diazepam | 12304.75 | 9670.67 | 6199.50 | 8514.75 | 6950.00 | 1.00 | 3341.50 | 9158.33 | |
| Dibutyl phthalate | 49669.00 | 62355.00 | 58372.75 | 64824.75 | 51046.40 | 54058.40 | 59893.00 | 43634.17 | |
| Dicyclohexylamine | 23157.50 | 19027.67 | 15604.50 | 22849.50 | 14408.60 | 24292.00 | 18429.17 | 21998.33 | |
| Didrovaltratum | 18502.50 | 6632.67 | 2574.00 | 1703.75 | 1.00 | 4552.00 | 613.33 | 812.33 | |
| Diethanolamine | 103599.75 | 109416.67 | 90814.00 | 100083.00 | 94356.60 | 89540.80 | 90794.33 | 99069.33 | |
| Diethanolamine + 6.678039 | 67423.75 | 36821.67 | 60566.50 | 43768.25 | 54489.40 | 46772.80 | 59883.50 | 54159.33 | |
| Diethylene glycol | 39716.75 | 81354.00 | 25012.25 | 63311.50 | 65835.40 | 27242.60 | 48429.67 | 66238.50 | |
| Dihomo-?-linolenoyl-EA | 122653.50 | 109164.33 | 108994.50 | 214419.00 | 88993.00 | 118856.80 | 78832.50 | 100726.83 | |
| Dihomomethionine | 40503.25 | 28707.33 | 23244.25 | 50049.50 | 1.00 | 38656.00 | 32269.50 | 8687.00 | |
| Dihydroartemisinin | 16305.75 | 2616.67 | 5006.00 | 4854.50 | 8231.00 | 9636.80 | 6252.50 | 19756.33 | |
| Dihydrocortisol | 1.00 | 1.00 | 1.00 | 1.00 | 8658.20 | 1.00 | 1.00 | 5774.83 | |
| Diisooctyl phthalate | 365858.50 | 324619.00 | 371581.75 | 392008.25 | 396791.20 | 305417.00 | 391290.67 | 371403.17 | |
| Diltiazem | 7511.75 | 3817.67 | 4815.25 | 6564.00 | 3496.80 | 7694.80 | 4446.17 | 3461.67 | |
| Dimethametryn | 47309.00 | 68661.33 | 31340.50 | 70597.50 | 107981.20 | 84935.80 | 73488.33 | 75777.17 | |
| Dinor-PGD2 | 137333.75 | 5661.67 | 79942.75 | 55955.00 | 134505.80 | 21411.20 | 49609.50 | 42967.50 | |
| Diosmetin | 59397.00 | 71131.67 | 45407.00 | 68770.25 | 39602.40 | 69811.80 | 63728.00 | 72252.33 | |
| Dipropyl disulfide | 9085.50 | 13779.33 | 3514.75 | 18700.50 | 1.00 | 13575.60 | 1.00 | 1.00 | |
| DL-2-Aminooctanoic acid | 10959.50 | 17222.67 | 21708.00 | 23977.75 | 20866.80 | 5643.40 | 25835.83 | 10213.83 | |
| DL-2-amino-octanoic acid + 6.4934916 | 99992.25 | 118658.67 | 50968.25 | 82217.00 | 1.00 | 183010.00 | 36911.00 | 47715.50 | |
| DL-2-amino-octanoic acid + 7.0471787 | 16625000.00 | 6380873.00 | 5716965.75 | 6887492.00 | 1763293.20 | 8416831.40 | 4557797.50 | 4689350.83 | |
| dl-alpha-Tocopherol nicotinate | 22341.50 | 7937.33 | 7351.75 | 7206.00 | 2757.20 | 11248.20 | 3494.50 | 3983.50 | |
| D-Leucic acid | 13879.25 | 25692.33 | 17903.50 | 15606.75 | 16906.80 | 18868.60 | 16921.50 | 18251.17 | |
| DL-pipecolic acid + 6.6582723 | 225013.25 | 151342.67 | 64643.75 | 73116.00 | 69936.40 | 215528.20 | 60382.83 | 93854.83 | |
| DL-Serine | 54469.25 | 52645.33 | 30962.25 | 27911.75 | 35598.00 | 117910.40 | 33179.67 | 36037.83 | |
| D-myo-Inositol-1,2,4,5,6-pentaphosphate | 76871.50 | 43715.33 | 39846.50 | 37431.25 | 45032.00 | 71807.20 | 39305.17 | 44678.67 | |
| Dodecanedioic acid | 44143.75 | 45763.33 | 26439.50 | 15846.50 | 35023.20 | 32573.00 | 30769.00 | 13269.33 | |
| Dolastatin 11 | 7192.00 | 4151.33 | 3109.75 | 8715.50 | 774.20 | 4550.00 | 4301.00 | 3556.00 | |
| D-Phenylalanine | 1165678.75 | 1269853.67 | 933661.00 | 1276050.00 | 777563.80 | 1740480.40 | 905498.83 | 955549.17 | |
| D-Proline | 74514.75 | 97080.33 | 70770.75 | 96699.75 | 1.00 | 142822.20 | 44732.67 | 35252.17 | |
| D-Proline + 4.22679 | 80382.25 | 107565.33 | 63138.75 | 44892.25 | 76009.60 | 104375.40 | 64454.50 | 68687.67 | |
| D-Proline + 6.653455 | 3870257.50 | 5948223.00 | 2916989.75 | 3386934.75 | 2388185.00 | 10112897.60 | 2405100.17 | 2525510.00 | |
| Ectocarpen | 297003.50 | 314366.67 | 264440.75 | 247423.00 | 280250.40 | 294621.80 | 248813.33 | 239626.17 | |
| Ectoine | 301282.75 | 334695.33 | 233618.00 | 230342.25 | 1.00 | 673640.60 | 152905.67 | 57099.67 | |
| Eicosanedioic acid | 17946.75 | 23089.00 | 19446.75 | 23778.75 | 12933.40 | 7019.00 | 22996.33 | 3675.33 | |
| Embelin | 48954.00 | 11604.00 | 25219.75 | 35766.00 | 37033.00 | 20748.40 | 29632.00 | 29173.33 | |
| Enalkiren | 8612.00 | 10132.00 | 38366.75 | 1.00 | 11304.00 | 47963.40 | 15775.67 | 15130.67 | |
| Enniatin B4 | 38046.00 | 1.00 | 357516.50 | 205232.25 | 114209.80 | 14842.00 | 91036.17 | 53658.67 | |
| (-)-Epinephrine | 63624.75 | 1.00 | 65918.75 | 105230.50 | 52416.60 | 4099.40 | 31784.50 | 1.00 | |
| Epinephrine sulfate | 92103.00 | 864387.33 | 317276.50 | 312063.75 | 1.00 | 938051.80 | 218641.17 | 314384.33 | |
| Eplerenone | 9142544.25 | 7371794.67 | 6403186.25 | 7949350.00 | 7987318.20 | 9255634.00 | 8617032.83 | 5961154.50 | |
| Erythrohydrobupropion | 12643.75 | 8364.00 | 10465.00 | 15272.75 | 6177.20 | 13844.40 | 9899.33 | 9260.00 | |
| Erythromycin estolate | 32156.25 | 43512.67 | 36400.75 | 24286.00 | 22087.80 | 69451.60 | 35654.50 | 25696.83 | |
| Erythromycin estolate + 6.7943406 | 48206.00 | 63515.00 | 48059.50 | 50957.75 | 57070.60 | 47696.00 | 58173.00 | 50588.83 | |
| Estradiol-17-phenylpropionate | 3858.00 | 1.00 | 8155.25 | 7428.50 | 22239.40 | 1.00 | 3872.83 | 1.00 | |
| Ethambutol aldehyde | 15816.75 | 1.00 | 9695.00 | 8575.75 | 3603.00 | 5729.00 | 7026.33 | 5464.67 | |
| Ethyl 3-(N-butylacetamido)propionate | 537901.25 | 657258.33 | 551404.00 | 571133.50 | 447139.00 | 491097.20 | 486894.17 | 495707.00 | |
| Ethyl acetate | 25896.50 | 32730.67 | 18559.75 | 28089.50 | 35268.40 | 31832.40 | 19930.33 | 25416.83 | |
| Evodiamine | 7428.50 | 10590.33 | 1.00 | 3209.50 | 1.00 | 15939.20 | 2673.83 | 7166.67 | |
| Faropenem | 64808.50 | 55910.00 | 29739.25 | 44502.25 | 51620.20 | 21025.80 | 35152.00 | 35192.33 | |
| Faropenem + 2.889555 | 2469.50 | 18194.00 | 32842.75 | 3881.00 | 1.00 | 3154.00 | 21164.83 | 5205.33 | |
| Ferimzone | 43892.50 | 48606.00 | 15762.00 | 42558.00 | 30556.40 | 28930.80 | 14550.50 | 27271.33 | |
| Ferimzone + 1.587867 | 1.00 | 15914.67 | 6708.75 | 15978.75 | 24740.40 | 20379.80 | 17008.83 | 17328.17 | |
| Fexofenadine | 222181.50 | 164937.00 | 25696.00 | 89388.50 | 51870.00 | 211673.60 | 54741.17 | 141319.67 | |
| Fexofenadine + 5.6458764 | 959513.50 | 264604.67 | 58845.25 | 271931.00 | 125619.20 | 237711.00 | 106575.33 | 304317.50 | |
| Fibrin | 148245.75 | 137800.67 | 154668.00 | 155073.25 | 72478.40 | 244264.00 | 106586.17 | 65101.67 | |
| Fortimicin FU-10 | 29349.50 | 22845.67 | 14748.00 | 19089.25 | 18939.40 | 43146.00 | 15850.33 | 16026.83 | |
| Fosinopril | 47872.25 | 81756.00 | 7656.00 | 34949.00 | 1.00 | 61413.40 | 6038.83 | 20661.33 | |
| furazolidone | 18496.50 | 7011.67 | 4829.75 | 9221.00 | 3149.60 | 10229.00 | 7224.50 | 7753.17 | |
| Gabapentin | 206068.00 | 21527.33 | 73679.75 | 103619.25 | 66458.20 | 9383.60 | 100448.17 | 37982.67 | |
| Galactonic acid | 20798.25 | 1628.00 | 22727.75 | 19560.00 | 10574.20 | 6497.00 | 8836.50 | 1.00 | |
| GalCer(d18:2/22:0) | 6313.00 | 2296.00 | 5407.25 | 1.00 | 10503.20 | 2382.80 | 2733.50 | 10777.00 | |
| Gallopamil | 5780.00 | 11295.67 | 1.00 | 15077.00 | 2124.20 | 5260.20 | 2448.67 | 9951.33 | |
| Gambieric acid B | 51102.25 | 1.00 | 96060.50 | 54372.25 | 25338.80 | 29049.20 | 95523.50 | 7281.00 | |
| (+)-gamma-Hydroxy-L-homoarginine | 20905.75 | 6220.33 | 1.00 | 2785.00 | 4262.40 | 22774.00 | 1922.67 | 2576.83 | |
| gamma-Nonalactone | 17651.50 | 1565.33 | 17668.00 | 1.00 | 46405.40 | 1.00 | 11639.17 | 12823.17 | |
| Geniposidic acid | 7197.50 | 5492.00 | 1628.75 | 10483.00 | 1517.80 | 8489.40 | 1715.00 | 3052.33 | |
| Gibberellin A3 | 286396.75 | 47835.00 | 116794.75 | 91765.50 | 60891.60 | 216736.20 | 123067.33 | 304765.50 | |
| Gln Trp Glu | 2745.00 | 9431.33 | 1089.50 | 2509.50 | 1.00 | 7932.40 | 893.83 | 2795.17 | |
| Glucosylceramide (d18:1/16:0) | 37952.25 | 23880.33 | 18234.50 | 28510.00 | 30341.20 | 31235.20 | 26184.83 | 40715.17 | |
| Glucosylceramide (d18:1/16:0) + 1.4790593 | 25087.75 | 21403.67 | 6714.75 | 15982.75 | 16552.00 | 17940.80 | 19537.17 | 26733.33 | |
| Glucosylceramide (d18:1/24:1(15Z)) | 11290.00 | 6988.67 | 6461.00 | 11195.00 | 3563.60 | 9726.20 | 9006.00 | 15239.67 | |
| Glucosylceramide (d18:1/24:1(15Z)) + 1.4387408 | 2792.50 | 2912.67 | 2670.50 | 4447.50 | 1.00 | 4569.60 | 3328.50 | 7127.33 | |
| Glutamine | 35029.75 | 1.00 | 35417.00 | 27503.00 | 47830.80 | 1.00 | 28567.67 | 22468.00 | |
| Glutathione, oxidized | 19507.00 | 1.00 | 2675.50 | 5704.25 | 6177.40 | 8682.60 | 1.00 | 1.00 | |
| Glycidyl oleate | 16020.25 | 4006.67 | 4481.25 | 6650.75 | 2578.80 | 9053.20 | 5403.33 | 4580.67 | |
| Gly Cys Trp | 2675.25 | 2157.00 | 1.00 | 1.00 | 2390.20 | 3357.80 | 1.00 | 4497.33 | |
| Gö 6983 | 8451.00 | 31179.67 | 1.00 | 18832.00 | 7878.60 | 35379.80 | 6078.67 | 6611.00 | |
| GPSer(18:0/18:1(9Z)) | 4212140.00 | 776992.00 | 8766401.00 | 4047141.00 | 7169560.60 | 2431845.00 | 7075252.67 | 2647106.83 | |
| Guanidinosuccinic Acid | 69225.25 | 71953.00 | 39813.00 | 60104.50 | 52590.60 | 84236.80 | 37504.50 | 50997.00 | |
| Guanidinosuccinic Acid + 6.1773696 | 59336.25 | 41698.00 | 21017.50 | 29847.50 | 32105.40 | 63380.40 | 20521.33 | 35577.00 | |
| Guazatine | 45766.25 | 31585.67 | 30634.50 | 25026.00 | 13139.80 | 34496.60 | 29720.33 | 25452.67 | |
| GW 9662 | 14410.00 | 55031.67 | 10683.75 | 1.00 | 1.00 | 54198.40 | 10251.00 | 3665.67 | |
| Gymnodimine | 22671.50 | 5873.33 | 1.00 | 4344.00 | 977.40 | 6949.60 | 688.17 | 2253.17 | |
| Gymnodimine + 6.7119865 | 93573.50 | 618221.67 | 238615.00 | 58158.00 | 48960.60 | 1285420.80 | 329544.17 | 191537.17 | |
| Gymnodimine + 6.8054833 | 2070269.25 | 1730920.67 | 1992801.00 | 1321081.00 | 2802686.40 | 1614528.20 | 2228948.83 | 1235640.17 | |
| HA-1077 | 8461.25 | 7526.33 | 1.00 | 4845.25 | 1.00 | 17300.60 | 1.00 | 1.00 | |
| Harmalol | 7841.25 | 26847.33 | 1.00 | 11476.00 | 1.00 | 38182.40 | 1.00 | 7750.50 | |
| Harmalol + 4.906716 | 124677.50 | 54332.00 | 56959.00 | 39417.75 | 7372.40 | 150802.60 | 34287.83 | 64013.17 | |
| Hecogenin | 15496.75 | 29544.33 | 19666.25 | 14103.25 | 25667.20 | 24995.20 | 25212.50 | 24215.83 | |
| Heliamine | 640749.25 | 971399.67 | 909874.50 | 897131.75 | 825599.00 | 1003849.00 | 762876.50 | 797024.83 | |
| Hemigossypol | 25209.25 | 55814.67 | 31381.00 | 66859.25 | 78872.00 | 69677.80 | 56098.67 | 67897.83 | |
| Heptanoic acid | 25649.75 | 3124.67 | 10259.00 | 16339.75 | 10081.40 | 19075.20 | 7510.00 | 12129.67 | |
| Hexazinone | 207614.75 | 183346.33 | 190890.25 | 210311.75 | 201638.20 | 248029.40 | 198749.33 | 214061.67 | |
| Hexazinone + 2.021875 | 1053362.00 | 936049.00 | 830674.75 | 913681.00 | 832450.60 | 978252.00 | 894620.33 | 966946.83 | |
| Hispidol | 12006.75 | 51951.00 | 11184.50 | 50195.25 | 1.00 | 97803.20 | 12093.33 | 61918.83 | |
| Histamine | 146088.50 | 72240.00 | 97053.25 | 76198.00 | 49069.60 | 150732.20 | 97625.50 | 97887.33 | |
| Hodgkinsine | 1.00 | 1.00 | 1.00 | 1.00 | 1509.20 | 5247.00 | 1.00 | 1.00 | |
| Homaline | 4100.00 | 1.00 | 25938.50 | 28127.75 | 65296.60 | 1.00 | 13150.83 | 3849.17 | |
| Homomethionine | 35121.75 | 26563.33 | 3332.25 | 31850.25 | 1.00 | 30630.40 | 6207.50 | 23907.67 | |
| HPF | 6427.50 | 13647.67 | 11054.00 | 3553.50 | 6113.40 | 11990.20 | 8000.33 | 6815.50 | |
| Hydnocarpic acid | 424547.25 | 432101.33 | 431779.50 | 353709.75 | 401498.00 | 355590.80 | 318475.33 | 408176.83 | |
| Hygrine | 34717.50 | 34411.67 | 22892.25 | 22055.75 | 26613.00 | 29235.60 | 30441.00 | 19726.83 | |
| Hymenoflorin | 130365.25 | 117298.67 | 77245.25 | 116577.50 | 121984.40 | 131853.40 | 125748.33 | 95947.33 | |
| Hypoglycin | 111095.00 | 1.00 | 19059.75 | 13837.50 | 54658.20 | 31883.00 | 8755.17 | 30905.33 | |
| Hypoxanthine | 426846.25 | 17755.67 | 4065300.25 | 8098236.50 | 692416.80 | 1820229.00 | 3486464.33 | 2805052.83 | |
| Hypoxanthine + 3.086139 | 650166.75 | 1.00 | 1898037.50 | 1750803.25 | 463047.80 | 837300.60 | 2050148.17 | 1861407.83 | |
| IBMX | 40262.25 | 28453.33 | 16352.00 | 12500.75 | 17081.00 | 42910.60 | 32590.83 | 97257.83 | |
| Indican | 244857.00 | 244111.00 | 105159.75 | 178377.50 | 166670.00 | 359449.20 | 130061.67 | 158708.67 | |
| Indole-3-acetaldoxime N-oxide | 165104.00 | 1.00 | 54940.00 | 27913.00 | 29457.80 | 35620.40 | 55688.17 | 38575.83 | |
| Indole-3-acetaldoxime N-oxide + 5.5751677 | 42495.50 | 21382.00 | 10083.25 | 12806.75 | 7705.60 | 39147.80 | 7585.17 | 42589.00 | |
| Indole-3-ethanol | 30683.75 | 24137.00 | 8228.00 | 14880.25 | 7578.80 | 24946.60 | 9652.33 | 4825.00 | |
| Indoleacrylic acid | 197360.00 | 250305.00 | 111569.75 | 1.00 | 119113.40 | 486336.40 | 86433.00 | 213587.83 | |
| Indoleacrylic acid + 5.8675737 | 55604.50 | 108453.67 | 111654.00 | 281278.00 | 79824.00 | 52274.60 | 113010.67 | 55090.33 | |
| Indospicine | 152319.75 | 28658.67 | 196522.00 | 189729.25 | 201471.20 | 55685.40 | 95021.50 | 56862.50 | |
| Inulicin | 37481.50 | 38433.33 | 13053.25 | 27628.50 | 10170.40 | 41055.40 | 28379.83 | 19280.00 | |
| Irbesartan | 1.00 | 15351.00 | 4856.00 | 3069.00 | 2131.40 | 1.00 | 6642.00 | 3091.83 | |
| Iriomoteolide 1a | 1120629.75 | 541876.67 | 1.00 | 1054252.50 | 924927.80 | 1881892.60 | 874125.67 | 580973.50 | |
| Isobutyronitrile | 157660.00 | 222754.33 | 114322.00 | 131753.00 | 95579.00 | 376637.00 | 94717.17 | 100169.50 | |
| Isopentenyladenine | 48475000.00 | 24200000.00 | 27075000.00 | 36000000.00 | 22840000.00 | 35140000.00 | 25116666.67 | 36933333.33 | |
| Isosafrole | 9681.00 | 13770.67 | 5617.50 | 14805.75 | 15255.40 | 10515.20 | 45895.83 | 17647.17 | |
| Isosafrole + 1.1335262 | 33391.50 | 44073.67 | 23511.75 | 25071.00 | 28871.40 | 38117.60 | 23924.83 | 22242.17 | |
| Isovalerylalanine | 64550.25 | 1.00 | 25938.00 | 167281.50 | 9367.40 | 18310.60 | 8191.83 | 84962.67 | |
| Istamycin C1 | 263212.75 | 79389.00 | 123897.00 | 127470.25 | 90079.40 | 99806.80 | 258744.33 | 233749.00 | |
| Ivermectin B1a | 23700.25 | 59339.33 | 13519.25 | 1.00 | 19582.60 | 45719.80 | 16026.50 | 38126.33 | |
| Jasmonic acid | 46455.25 | 86318.00 | 56583.50 | 53720.75 | 51097.40 | 32386.00 | 36304.67 | 50040.33 | |
| KAPA | 363191.75 | 428909.33 | 304455.50 | 267417.00 | 294115.00 | 392460.40 | 330597.83 | 241805.83 | |
| Kukoamine B | 115726.25 | 7319.67 | 84056.75 | 77441.25 | 9070.40 | 8022.20 | 61409.83 | 24380.83 | |
| L-alpha-Aspartyl-L-hydroxyproline | 59866.00 | 64202.67 | 1.00 | 55043.25 | 12335.60 | 75618.80 | 7609.00 | 54193.67 | |
| Lankacidin C | 3350.00 | 1.00 | 17411.25 | 1.00 | 9775.20 | 1.00 | 12291.33 | 4027.33 | |
| L-Arginine | 1307306.50 | 368910.67 | 140614.75 | 178949.75 | 100822.60 | 1675495.20 | 135417.33 | 254972.83 | |
| L-Ascorbic acid | 29024.25 | 28420.33 | 18050.00 | 21231.50 | 19293.80 | 27174.60 | 22838.17 | 25159.83 | |
| Lasonolide A | 17300.50 | 26238.00 | 54842.50 | 48382.25 | 26282.80 | 60705.20 | 66747.00 | 53087.00 | |
| L-beta-aspartyl-L-threonine | 185801.00 | 57309.67 | 59062.75 | 40652.25 | 42087.40 | 80378.40 | 17085.17 | 4376.33 | |
| L-Cladinose | 22784.75 | 20362.00 | 8917.25 | 13874.00 | 12285.40 | 18320.80 | 13595.00 | 12367.00 | |
| Lentiginosine | 662737.50 | 438382.67 | 205453.75 | 447676.75 | 1.00 | 865167.80 | 181074.17 | 295428.17 | |
| Lentiginosine + 1.3061546 | 44704.75 | 49054.67 | 22331.75 | 22750.50 | 26417.60 | 49969.60 | 22683.83 | 25757.83 | |
| Leucodelphinidin 3-O-(beta-D-glucopyranosyl-(1-4)-alpha-L-rh... | 6596.25 | 4331.33 | 1.00 | 1.00 | 1.00 | 8386.40 | 2622.17 | 1528.33 | |
| Leu-leu-tyr | 18492.50 | 12390.67 | 10030.75 | 13135.00 | 10885.20 | 11128.60 | 13445.50 | 14024.83 | |
| Leu Tyr | 69276.50 | 30291.33 | 682.75 | 64870.75 | 17108.60 | 4780.60 | 3254.67 | 99172.50 | |
| L-Formylkynurenine | 4226.00 | 1.00 | 12526.25 | 21980.00 | 5590.40 | 8146.60 | 2077.17 | 3173.33 | |
| L-Glutamate 5-semialdehyde | 72163.00 | 15559.67 | 23738.00 | 35060.50 | 33116.60 | 37470.60 | 21580.17 | 27681.17 | |
| (±)-Limonene | 1778.50 | 2936.00 | 1540.50 | 1.00 | 1.00 | 6390.20 | 1.00 | 578.33 | |
| Limonene-1,2-epoxide | 587538.25 | 628691.00 | 502812.00 | 807641.50 | 886779.20 | 1145186.60 | 375810.00 | 728559.67 | |
| Limonene-1,2-epoxide + 1.4060118 | 26716.50 | 15115.67 | 40526.75 | 46854.75 | 32265.00 | 43462.00 | 31956.83 | 21282.33 | |
| Lindheimerine | 6318.00 | 1878.00 | 1723.50 | 3099.00 | 3455.80 | 4802.20 | 4764.67 | 1271.67 | |
| ?-Linolenic Acid | 336440.25 | 107879.67 | 259022.50 | 263680.75 | 592152.40 | 95932.40 | 232887.83 | 129028.67 | |
| Linoleoyl Ethanolamide | 185943.00 | 173930.67 | 183593.25 | 238730.25 | 175543.00 | 217413.80 | 161199.17 | 181187.83 | |
| L-isoleucyl-L-proline | 252699.00 | 176272.67 | 62851.50 | 101419.75 | 95208.20 | 468424.60 | 113776.17 | 107912.33 | |
| L-isoleucyl-L-proline + 8.420621 | 472605.50 | 252668.33 | 107602.50 | 146419.50 | 144235.20 | 608252.80 | 206160.67 | 152924.33 | |
| L-Leucine | 142368.75 | 327838.67 | 96971.00 | 160276.00 | 1.00 | 527941.60 | 41449.33 | 202137.50 | |
| l-Methamphetamine | 2376415.75 | 2287071.67 | 2225457.00 | 2224832.25 | 2273833.20 | 1834890.00 | 2213166.33 | 2276856.17 | |
| L-Methionine | 623455.25 | 326230.67 | 227209.50 | 397735.75 | 278225.20 | 437240.20 | 231357.17 | 302853.17 | |
| L-Methionine S-oxide | 66495.00 | 42037.00 | 19429.25 | 40570.00 | 13407.80 | 36182.60 | 13932.33 | 14826.00 | |
| L-Methionine S-oxide + 7.688807 | 732464.00 | 35337.00 | 265861.00 | 233889.00 | 145235.00 | 118774.20 | 149932.83 | 47069.67 | |
| L-Norleucine | 302833.25 | 397101.33 | 208494.25 | 193741.00 | 196470.60 | 258968.00 | 209011.17 | 237917.00 | |
| L-Norleucine + 6.0978947 | 1257444.75 | 1317436.67 | 641730.25 | 1010707.50 | 826973.00 | 1704916.60 | 573074.33 | 830533.33 | |
| L-Norleucine + 6.176548 | 1056905.50 | 810450.67 | 491877.50 | 787498.25 | 634134.20 | 1390589.00 | 392452.50 | 464465.17 | |
| Lovastatin acid (Mevinolinic acid) | 1.00 | 7753.00 | 10624.00 | 3385.25 | 6876.00 | 4713.40 | 12720.67 | 27058.33 | |
| Loxoprofen Metabolite (b-D-Glucopyranuronic acid, 1-[a-methy... | 3217.75 | 1.00 | 2281.25 | 3857.25 | 1433.40 | 1.00 | 668.00 | 592.67 | |
| Loxtidine | 167078.75 | 1.00 | 130602.00 | 88817.00 | 330366.60 | 45942.80 | 101781.83 | 36437.67 | |
| Loxtidine + 1.1110786 | 19906.75 | 16240.00 | 2820.50 | 3396.25 | 3033.00 | 10996.60 | 4190.17 | 3193.50 | |
| L-Pipecolic acid | 130432.00 | 68801.67 | 57908.50 | 76532.75 | 51573.40 | 49279.20 | 29171.50 | 1.00 | |
| L-Threonine | 187765.50 | 230491.67 | 129481.00 | 121611.75 | 123920.60 | 357961.80 | 116995.00 | 135670.67 | |
| Lupanyl Acid | 21604.50 | 32279.67 | 1.00 | 5658.75 | 1.00 | 43920.20 | 3514.17 | 4686.33 | |
| Lupanyl Acid + 3.9595964 | 5621.00 | 12329.00 | 1.00 | 1.00 | 1.00 | 10953.20 | 1.00 | 1.00 | |
| Lysine | 47478.50 | 45534.33 | 37357.00 | 64529.25 | 29008.00 | 54103.20 | 80171.83 | 1.00 | |
| Lys-Lys-OH | 26130.00 | 7431.33 | 16684.50 | 12201.75 | 5868.40 | 13334.40 | 16399.17 | 15873.50 | |
| LysoPE(0:0/16:0) | 503187.75 | 230314.00 | 219634.00 | 225443.00 | 160798.40 | 312122.80 | 230110.17 | 229819.83 | |
| LysoPE(0:0/16:1(9Z)) | 10685.25 | 6300.00 | 9558.50 | 7132.25 | 6019.40 | 9244.80 | 9106.00 | 8171.33 | |
| LysoPE(0:0/18:0) | 379081.25 | 154372.67 | 173285.50 | 168157.25 | 149833.40 | 273288.80 | 180307.17 | 205442.50 | |
| LysoPE(0:0/18:0) + 6.773583 | 89744.00 | 59860.33 | 57597.25 | 64283.00 | 34918.20 | 72711.80 | 49814.00 | 41694.67 | |
| LysoPE(0:0/18:0) + 6.8673964 | 1335435.75 | 630784.67 | 653494.75 | 738669.50 | 420968.00 | 773044.80 | 544354.83 | 496710.50 | |
| LysoPE(0:0/18:1(11Z)) | 49167.50 | 29087.33 | 16019.25 | 20813.00 | 29363.80 | 43969.80 | 20010.67 | 18849.83 | |
| LysoPE(0:0/18:1(11Z)) + 5.671535 | 198174.75 | 99389.00 | 67019.00 | 63578.75 | 85480.80 | 105106.20 | 72301.33 | 68797.50 | |
| LysoPE(0:0/20:0) | 370149.00 | 168370.00 | 141699.25 | 178331.00 | 170629.20 | 192066.80 | 126628.33 | 118890.83 | |
| LysoPE(0:0/20:0) + 6.7854633 | 2839503.25 | 2596976.67 | 1711267.00 | 1680339.00 | 1899446.60 | 2075972.40 | 1811447.33 | 1541125.50 | |
| LysoPE(0:0/22:0) | 184848.50 | 48166.00 | 45804.25 | 45097.25 | 42941.20 | 79394.20 | 38290.83 | 33571.67 | |
| LysoPE(0:0/22:0) + 6.722954 | 2091732.50 | 976752.00 | 1000175.50 | 991220.75 | 762469.60 | 1314344.40 | 880104.50 | 677538.17 | |
| LysoPE(0:0/22:1(13Z)) | 207344.25 | 198343.33 | 109996.25 | 156248.50 | 138907.80 | 200088.60 | 121744.67 | 78139.50 | |
| LysoPE(0:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) | 1207626.50 | 348782.00 | 34776.00 | 239556.50 | 67210.80 | 316313.00 | 123282.50 | 447936.00 | |
| Lys Thr Trp | 4518.25 | 12652.33 | 1.00 | 10901.75 | 1.00 | 13842.00 | 1.00 | 4756.17 | |
| Macrocin | 20581.50 | 17200.67 | 9502.00 | 10639.25 | 1028.40 | 20240.20 | 1.00 | 18823.17 | |
| Melamine | 74332.00 | 35259.67 | 48247.50 | 28652.75 | 35913.60 | 35319.80 | 33695.17 | 71609.83 | |
| Melengestrol acetate | 11774.00 | 19751.00 | 4869.50 | 4781.00 | 11574.80 | 11743.00 | 8918.67 | 13894.00 | |
| Mephentermine | 235488.75 | 228343.00 | 226453.00 | 226533.50 | 186185.40 | 190550.40 | 192960.33 | 231236.67 | |
| Mesquitol-4beta-ol 3,8-dimethyl ether | 12355.75 | 1.00 | 1.00 | 1.00 | 1315.20 | 1.00 | 902.67 | 3706.00 | |
| Metalaxyl | 2853.25 | 12423.00 | 2866.50 | 14797.75 | 4139.80 | 9723.40 | 4485.00 | 7736.17 | |
| Metaldehyde | 50769.25 | 75218.67 | 51124.75 | 77195.50 | 72065.20 | 81410.20 | 63422.50 | 74843.83 | |
| MET-enkephalin | 1.00 | 3257.00 | 5554.00 | 4556.00 | 1.00 | 2936.80 | 2636.67 | 7115.67 | |
| Met Gly His | 7548.00 | 1.00 | 1.00 | 4736.25 | 1330.80 | 10366.80 | 6749.50 | 19187.33 | |
| Methiuron | 1.00 | 17105.00 | 26470.75 | 1.00 | 1.00 | 14115.40 | 15849.50 | 1.00 | |
| methyl (+)-7-isojasmonate | 1.00 | 6786.00 | 10527.50 | 25206.75 | 6791.80 | 16123.80 | 9327.00 | 1.00 | |
| methyl 8-[2-(2-formyl-vinyl)-3-hydroxy-5-oxo-cyclopentyl]-oc... | 6716.00 | 13347.00 | 2251.50 | 11467.00 | 7626.40 | 10018.00 | 4226.00 | 7947.67 | |
| Methylenediurea | 779509.75 | 777057.33 | 808415.75 | 669921.50 | 527414.40 | 1155421.80 | 556066.67 | 176744.00 | |
| Methylimidazole acetaldehyde | 37943.50 | 166653.00 | 116078.25 | 91793.00 | 1.00 | 189589.20 | 74094.17 | 1.00 | |
| Methylitaconate | 362069.00 | 147328.33 | 172668.75 | 169623.00 | 179906.20 | 434516.20 | 281858.33 | 386559.17 | |
| Methylitaconate + 7.548231 | 50508.75 | 12774.33 | 12106.50 | 29483.00 | 13463.40 | 28796.60 | 14010.33 | 30291.00 | |
| Methyl N-butyrylglycine | 9522.25 | 13519.67 | 1.00 | 13776.50 | 1.00 | 31730.00 | 1.00 | 1.00 | |
| Methylnoradrenaline | 1.00 | 17494.00 | 1.00 | 2989.75 | 1.00 | 19105.20 | 1845.17 | 1.00 | |
| MG(0:0/16:0/0:0) | 66892.00 | 102780.00 | 17997.00 | 64467.00 | 36637.60 | 85482.40 | 93949.17 | 44907.00 | |
| MG(0:0/18:1(9Z)/0:0) | 77625.50 | 65158.00 | 55434.25 | 85114.25 | 74280.20 | 72325.60 | 63021.17 | 66735.83 | |
| MG(0:0/18:3(6Z,9Z,12Z)/0:0) | 303881.50 | 53237.00 | 248269.25 | 75814.75 | 270217.20 | 151957.20 | 124345.33 | 35939.67 | |
| MG(0:0/20:2(11Z,14Z)/0:0) | 17020.00 | 28405.67 | 1.00 | 16470.75 | 5030.00 | 32487.00 | 23255.67 | 16218.67 | |
| MG(0:0/22:2(13Z,16Z)/0:0) | 27140.75 | 18691.33 | 17598.00 | 19013.00 | 12404.00 | 20735.80 | 14715.67 | 9187.67 | |
| MG(0:0/24:1(15Z)/0:0) | 9948.50 | 7702.67 | 3980.25 | 2145.25 | 2785.00 | 3683.40 | 3673.50 | 7316.83 | |
| MG(18:0/0:0/0:0) | 2591280.00 | 1965854.67 | 1627961.75 | 1920574.25 | 1584777.40 | 2210761.20 | 1838205.67 | 1557549.67 | |
| MID42329:(22S)-1?,22,25-trihydroxy-26,27-dimethyl-23,23,24,2... | 13263.50 | 11354.67 | 2186.00 | 5807.75 | 5239.00 | 7266.00 | 3253.83 | 12388.67 | |
| Militarinone A | 33721.25 | 37281.67 | 32945.25 | 30408.75 | 27055.60 | 33534.00 | 50033.33 | 18344.83 | |
| Militarinone B | 3284.75 | 1.00 | 1769.00 | 1290.00 | 8558.00 | 1370.20 | 3846.33 | 1362.83 | |
| Monuron | 38400.25 | 4706.33 | 7684.25 | 10856.50 | 8981.60 | 17139.20 | 2633.00 | 1.00 | |
| Mulberrofuran C | 13092.50 | 15371.00 | 3345.25 | 6521.00 | 2431.20 | 9533.00 | 8093.33 | 7244.83 | |
| Muramic acid | 18263.75 | 4710.67 | 14170.75 | 1.00 | 18446.20 | 8464.60 | 7495.67 | 16246.17 | |
| Mycobactin S | 18814.50 | 44612.67 | 12735.75 | 30198.00 | 15237.00 | 40528.00 | 20055.67 | 30034.17 | |
| N1-Acetylspermidine | 4435.25 | 8602.67 | 5391.25 | 10277.00 | 3887.80 | 13982.60 | 6784.67 | 1599.33 | |
| N1-Acetylspermidine + 9.039678 | 193519.75 | 83393.33 | 54782.75 | 43947.00 | 71633.80 | 194566.80 | 55529.67 | 76335.00 | |
| N1,N4-Diacetylsulfanilamide | 1.00 | 23563.67 | 7036.75 | 12751.50 | 1.00 | 35092.00 | 3673.17 | 15939.50 | |
| N2-Acetyl-L-ornithine | 356518.75 | 21904.33 | 382307.50 | 279641.00 | 234924.20 | 94053.80 | 159449.67 | 38243.50 | |
| N2-Acetyl-L-ornithine + 7.505078 | 49471.75 | 17312.33 | 6283.75 | 1.00 | 1.00 | 47600.00 | 12766.67 | 10472.00 | |
| N2,N2-Dimethylguanosine | 17256.25 | 7678.67 | 5061.25 | 15805.00 | 9335.20 | 15142.80 | 5582.83 | 9921.33 | |
| N-(3-hydroxy-7Z-tetradecenoyl)-homoserine lactone | 85467.75 | 70520.33 | 65903.50 | 71947.75 | 70126.80 | 78683.60 | 66891.83 | 86308.83 | |
| N-(3-oxo-hexanoyl)-homoserine lactone | 1.00 | 21282.33 | 1.00 | 1.00 | 1.00 | 22614.00 | 1.00 | 1.00 | |
| N4-Acetylcytidine | 19219.75 | 22907.33 | 8872.75 | 44213.25 | 6708.80 | 25465.40 | 7856.00 | 40806.00 | |
| N6,N6-Dimethyladenosine | 1658.50 | 6015.00 | 1555.25 | 1624.25 | 1.00 | 11958.80 | 2643.17 | 2563.17 | |
| N-Acetyl-D-tryptophan | 352236.25 | 712172.67 | 180556.00 | 398199.00 | 102517.60 | 834276.40 | 213019.67 | 348327.83 | |
| N?-Acetyl-L-arginine | 23836.50 | 1.00 | 33116.00 | 24873.25 | 14134.00 | 5090.40 | 14737.67 | 1.00 | |
| N-Acetyl-L-Histidine | 15272.50 | 1.00 | 2279.50 | 5274.25 | 797.20 | 8251.40 | 1.00 | 1.00 | |
| N-acetyl-S-geranylgeranyl-L-Cysteine | 12931.50 | 1.00 | 43305.75 | 8570.00 | 80962.80 | 9984.60 | 16115.83 | 1.00 | |
| Nadolol | 1.00 | 1.00 | 1.00 | 1.00 | 10575.60 | 1.00 | 1.00 | 1.00 | |
| Nadolol + 6.457579 | 1.00 | 1.00 | 1.00 | 1.00 | 30755.20 | 1.00 | 1.00 | 1.00 | |
| Nalidixic acid | 38395.75 | 66637.00 | 16555.75 | 42892.25 | 1.00 | 63935.80 | 5668.67 | 13234.17 | |
| N(alpha)-Benzyloxycarbonyl-L-leucine | 18439.75 | 1.00 | 41359.75 | 4464.25 | 2620.80 | 13908.60 | 86748.83 | 1.00 | |
| N(alpha)-t-Butoxycarbonyl-L-leucine | 26174.50 | 23545.33 | 19499.50 | 22943.75 | 20623.80 | 24096.40 | 20606.67 | 21722.50 | |
| N(alpha)-t-Butoxycarbonyl-L-leucine + 7.0559106 | 1386183.00 | 1126716.33 | 708312.75 | 1216283.75 | 534176.80 | 2094414.60 | 565700.17 | 801971.83 | |
| N-(Aminomethyl)urea | 48766.50 | 39731.00 | 23820.75 | 39918.00 | 28434.80 | 45270.00 | 24925.50 | 7932.33 | |
| Nap-Ile-OH | 2914.00 | 2005.00 | 2191.75 | 1.00 | 2566.80 | 5733.60 | 1208.50 | 868.17 | |
| n-decanohydroxamic acid | 32051.00 | 27721.67 | 30382.75 | 26728.50 | 29115.60 | 23803.00 | 30669.33 | 21542.50 | |
| n-decanohydroxamic acid + 1.4612739 | 13234.00 | 21989.33 | 19285.75 | 21629.75 | 17246.20 | 21131.80 | 13540.00 | 15473.33 | |
| N-dodecanoyl-L-Homoserine lactone | 6107.75 | 4001.67 | 800.25 | 4334.00 | 727.20 | 2973.60 | 3080.33 | 3234.50 | |
| Nelfinavir | 158191.75 | 12249.67 | 166673.75 | 183722.00 | 188004.60 | 69104.40 | 118296.67 | 21237.00 | |
| Nelfinavir + 7.450638 | 128302.50 | 19122.33 | 166073.00 | 145565.50 | 98504.60 | 69729.60 | 100917.50 | 40291.83 | |
| Ne-Methyl-L-lysine | 158407.75 | 20525.00 | 1.00 | 13241.25 | 1.00 | 131495.60 | 1.00 | 10698.67 | |
| Netilmicin | 191673.75 | 57025.33 | 95401.25 | 97307.00 | 66501.60 | 75107.00 | 182132.67 | 161494.50 | |
| N-Formiminoglycine | 7401.50 | 13769.33 | 14613.00 | 8624.75 | 3245.80 | 29415.80 | 1806.00 | 1.00 | |
| N-hexanoyl-L-Homoserine lactone | 16320.75 | 20357.00 | 18641.75 | 20584.50 | 9820.40 | 22828.40 | 3470.83 | 15336.17 | |
| N-Hydroxy-1-aminonaphthalene | 58540.25 | 42324.67 | 10631.00 | 18312.00 | 15389.80 | 58330.20 | 26928.33 | 50576.33 | |
| Niacinamide | 7396028.50 | 5358526.00 | 5951818.50 | 5217857.00 | 5001080.20 | 7055605.20 | 6245536.33 | 4461314.17 | |
| Nitrilacarb | 538361.25 | 35167.33 | 40450.25 | 31037.00 | 4418.00 | 249246.40 | 30319.17 | 22885.00 | |
| N-Methyl-2-pyrrolidinone | 1.00 | 1005607.67 | 637834.50 | 716191.50 | 622010.80 | 888789.40 | 1007569.83 | 833826.17 | |
| N-Methyl-4-pyridone-3-carboxamide | 797260.75 | 443253.67 | 434545.25 | 742531.25 | 599171.20 | 487180.80 | 516652.67 | 415267.67 | |
| N-Methylformamide | 1.00 | 6341.00 | 1.00 | 10798.50 | 4655.60 | 34324.00 | 5821.17 | 9321.67 | |
| N-Methylhistamine | 84982.50 | 165863.67 | 116574.00 | 163222.25 | 157404.20 | 328559.40 | 115831.00 | 330341.33 | |
| N,N-dimethylhistidine | 26362.50 | 36212.00 | 12211.75 | 19674.75 | 6832.20 | 40312.60 | 12009.33 | 23421.17 | |
| N,N-dimethylhistidine + 4.45251 | 28402.75 | 24538.00 | 11147.25 | 11362.00 | 7545.00 | 28400.60 | 11546.83 | 11524.33 | |
| N,N-dimethylsphing-4-enine | 52893.00 | 36341.67 | 34117.75 | 48775.25 | 51161.40 | 41880.00 | 31153.83 | 31136.00 | |
| N,N-dimethylsphing-4-enine + 4.1255655 | 21562.00 | 16647.33 | 14145.75 | 13071.00 | 15339.40 | 15803.60 | 16104.50 | 16821.50 | |
| N-oleoyl ethanolamine + 1.2216221 | 78738.75 | 48641.67 | 72114.00 | 139895.00 | 128647.80 | 69561.80 | 41743.33 | 80210.00 | |
| Nonoxynol-9 | 16459.50 | 15774.67 | 21236.25 | 1.00 | 10089.40 | 52227.40 | 1.00 | 1.00 | |
| Norepinephrine (noradrenaline) | 23370.50 | 12467.67 | 30392.75 | 31003.00 | 22714.20 | 21066.80 | 19130.17 | 11126.17 | |
| Norepinephrine sulfate | 78946.75 | 102827.00 | 68813.25 | 52720.25 | 33108.60 | 87209.40 | 53785.83 | 57816.33 | |
| Norepinephrine sulfate + 1.0737517 | 3931.25 | 10802.33 | 2245.25 | 1.00 | 1.00 | 53305.40 | 722.50 | 1.00 | |
| Norharman | 1.00 | 1.00 | 31797.50 | 90567.25 | 15893.20 | 11397.60 | 22565.50 | 3516.83 | |
| Noscapine | 117477.75 | 1.00 | 21523.50 | 22870.00 | 8014.20 | 27648.60 | 16561.33 | 7628.17 | |
| Novobiocic acid | 55013.00 | 2030.33 | 26591.25 | 22355.75 | 25433.40 | 15188.20 | 12744.17 | 5066.33 | |
| N-palmitoyl glutamic acid | 5609.75 | 7132.33 | 1.00 | 9674.75 | 1.00 | 8827.20 | 1731.33 | 2542.83 | |
| N-palmitoyl glutamic acid + 6.5176063 | 18778.00 | 927.33 | 7114.00 | 24883.50 | 10938.40 | 3344.00 | 6302.00 | 20506.33 | |
| N-Valerylglycine methyl ester | 77128.25 | 69734.33 | 57115.25 | 76805.50 | 80859.80 | 47919.00 | 68543.33 | 47510.17 | |
| o-Coumaric acid | 151911.00 | 286276.00 | 77519.00 | 228775.50 | 172402.60 | 453645.80 | 84344.33 | 124649.17 | |
| Okanin 4^-(4^^-acetyl-6^^-p-coumarylglucoside) | 5685.75 | 22385.33 | 8435.75 | 1.00 | 1.00 | 19928.80 | 6520.67 | 1.00 | |
| Oleoyl Ethanolamide | 20800.25 | 5889.33 | 21060.75 | 31988.75 | 20797.00 | 24773.00 | 19838.50 | 3430.00 | |
| Oleoyl Serotonin | 1.00 | 18354.33 | 10001.75 | 34827.50 | 3395.80 | 15201.60 | 14724.83 | 13105.83 | |
| Orsellinic acid | 28204.50 | 6093.33 | 3313.75 | 4856.75 | 1.00 | 27655.20 | 1.00 | 3078.00 | |
| Otonecine | 39672.00 | 18339.67 | 20964.25 | 18429.25 | 1.00 | 30646.00 | 19097.17 | 18995.00 | |
| Otonecine + 1.4471529 | 16239.50 | 34243.67 | 53523.25 | 37649.00 | 26821.40 | 1.00 | 13049.83 | 7507.00 | |
| Otonecine + 4.6158233 | 49931.00 | 7035.67 | 31922.00 | 36925.50 | 49941.80 | 27977.60 | 32530.00 | 19843.00 | |
| PA(20:2(11Z,14Z)/19:0) | 2489.50 | 23264.00 | 2066.75 | 4601.25 | 1599.80 | 13906.80 | 7730.83 | 1766.00 | |
| Palmitic Acid methyl ester | 23252.75 | 20428.33 | 16666.25 | 25032.00 | 1.00 | 47709.40 | 19377.83 | 28072.00 | |
| p-Aminobenzoic acid | 2578295.25 | 1861682.67 | 1141928.25 | 1192518.25 | 1.00 | 2885379.80 | 862093.00 | 785790.33 | |
| p-Aminobenzoic acid + 7.2129807 | 73606.00 | 72149.00 | 51068.25 | 74879.75 | 1.00 | 130459.20 | 50620.67 | 56088.00 | |
| Pantothenic Acid | 577838.75 | 359637.67 | 171960.00 | 332654.50 | 156377.80 | 435014.40 | 167412.17 | 191644.00 | |
| PA(O-18:0/12:0) | 4539.00 | 2552.00 | 7968.00 | 3688.00 | 4628.20 | 1796.40 | 6293.67 | 5649.00 | |
| PD 173074 | 10849.75 | 2145.67 | 7123.25 | 5041.25 | 3428.20 | 6224.40 | 1532.67 | 1087.67 | |
| PE(14:0/10:0)[U] | 11063.25 | 1.00 | 1.00 | 1.00 | 1.00 | 12496.20 | 1.00 | 1.00 | |
| PE(17:0/22:4(7Z,10Z,13Z,16Z)) | 175751.25 | 179049.33 | 1.00 | 21620.25 | 1.00 | 183840.60 | 30723.33 | 22863.50 | |
| PE(18:3(6Z,9Z,12Z)/18:2(9Z,12Z)) | 20734.00 | 53843.00 | 67970.25 | 66104.50 | 26647.80 | 25711.20 | 51893.33 | 88469.67 | |
| PE(20:0/15:0) | 1.00 | 161890.33 | 1.00 | 20233.25 | 14500.60 | 129658.40 | 1.00 | 29700.83 | |
| PE(20:1(11Z)/15:0) | 1210261.25 | 727089.00 | 588406.50 | 583305.50 | 505673.20 | 793222.40 | 761110.00 | 494025.50 | |
| PE(20:2(11Z,14Z)/18:2(9Z,12Z)) | 178017.25 | 160283.33 | 35748.25 | 60035.25 | 63754.00 | 208598.40 | 89450.00 | 158549.67 | |
| PE(20:2(11Z,14Z)/21:0) | 3174.75 | 5454.00 | 1.00 | 1.00 | 1.00 | 7929.40 | 461.00 | 2109.83 | |
| PE(20:3(5Z,8Z,11Z)/18:3(6Z,9Z,12Z)) | 450113.75 | 523103.33 | 71553.75 | 183174.50 | 76413.20 | 563583.60 | 240469.50 | 419813.83 | |
| PE(20:3(5Z,8Z,11Z)/20:2(11Z,14Z)) | 104718.25 | 279664.33 | 51387.00 | 64255.75 | 91790.80 | 143256.00 | 125669.67 | 75125.17 | |
| PE(20:3(8Z,11Z,14Z)/17:0) | 10974.25 | 29116.00 | 1927.50 | 1699.75 | 2019.60 | 56671.20 | 2938.83 | 12795.17 | |
| PE(20:3(8Z,11Z,14Z)/18:4(6Z,9Z,12Z,15Z)) | 11823.25 | 36521.67 | 1.00 | 7066.25 | 2841.00 | 10391.40 | 6688.17 | 9102.67 | |
| PE(20:3(8Z,11Z,14Z)/20:3(8Z,11Z,14Z)) | 81919.25 | 91785.33 | 17166.50 | 30023.25 | 20908.40 | 115996.80 | 43908.83 | 130646.33 | |
| PE(20:3(8Z,11Z,14Z)/P-18:0) | 35114.25 | 38075.00 | 6979.25 | 1.00 | 12824.80 | 27267.00 | 11235.67 | 7689.67 | |
| PE(20:3(8Z,11Z,14Z)/P-18:1(9Z)) | 16148.75 | 17531.67 | 11514.75 | 11121.75 | 571.60 | 17224.60 | 7082.33 | 10617.83 | |
| PE(20:4(5Z,8Z,11Z,14Z)/20:3(5Z,8Z,11Z)) | 96271.75 | 67117.33 | 5170.50 | 27842.50 | 1.00 | 117353.40 | 61514.33 | 45873.00 | |
| PE(20:4(8Z,11Z,14Z,17Z)/P-18:1(9Z)) | 100920.75 | 126226.67 | 18091.00 | 39089.75 | 29641.80 | 119708.20 | 43597.00 | 59429.50 | |
| PE(22:1(13Z)/18:1(11Z)) | 1.00 | 13616.33 | 1.00 | 1.00 | 1.00 | 20137.40 | 1.00 | 1.00 | |
| PE(22:1(13Z)/20:4(5Z,8Z,11Z,14Z)) | 38480.25 | 35237.00 | 25104.75 | 20516.25 | 17899.60 | 32008.40 | 31297.00 | 23830.50 | |
| PE(22:2(13Z,16Z)/15:0) | 112050000.00 | 97900000.00 | 51750000.00 | 43875000.00 | 51340000.00 | 112560000.00 | 85033333.33 | 66366666.67 | |
| PE(22:4(7Z,10Z,13Z,16Z)/19:0) | 3919.00 | 9885.33 | 1796.25 | 5209.00 | 1.00 | 9265.00 | 1495.33 | 4323.83 | |
| PE(22:4(7Z,10Z,13Z,16Z)/P-18:1(9Z)) | 111387.75 | 109430.67 | 17901.00 | 25811.50 | 33142.20 | 100249.00 | 41388.67 | 44347.33 | |
| PE(22:5(4Z,7Z,10Z,13Z,16Z)/18:4(6Z,9Z,12Z,15Z)) | 21443.00 | 27621.33 | 2052.75 | 10063.25 | 5324.00 | 23867.00 | 14595.50 | 21087.17 | |
| PE(22:5(4Z,7Z,10Z,13Z,16Z)/22:1(13Z)) | 345044.50 | 180141.67 | 419898.00 | 381197.00 | 385182.20 | 246158.40 | 753147.83 | 290186.67 | |
| PE(22:5(7Z,10Z,13Z,16Z,19Z)/P-18:1(11Z)) | 73333.25 | 74481.67 | 10133.25 | 15618.75 | 14682.20 | 55963.00 | 24296.67 | 32307.50 | |
| PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:4(6Z,9Z,12Z,15Z)) | 5207.25 | 6108.67 | 1.00 | 4333.75 | 1.00 | 10165.60 | 2645.00 | 5718.33 | |
| PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:1(11Z)) | 10871.75 | 22799.00 | 243754.00 | 182909.75 | 1.00 | 79469.00 | 1.00 | 58225.33 | |
| PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/P-18:1(11Z)) | 12169.75 | 28639.00 | 1.00 | 6135.75 | 2725.00 | 16457.60 | 6667.17 | 11048.00 | |
| PE(24:1(15Z)/14:1(9Z)) | 1145250.00 | 1380825.33 | 312050.75 | 24315.00 | 108454.20 | 1165114.00 | 603048.17 | 457730.50 | |
| PE(24:1(15Z)/14:1(9Z)) + 5.6096344 | 80339.25 | 46348.00 | 2374.00 | 47894.75 | 28731.20 | 112775.80 | 67418.17 | 43546.33 | |
| Pederin | 27734.00 | 21686.67 | 22024.00 | 17054.75 | 16912.60 | 30651.00 | 22305.33 | 24122.33 | |
| Pedunculagin | 17326.25 | 33169.33 | 1.00 | 16867.25 | 12912.80 | 10157.20 | 14564.50 | 27070.83 | |
| PE(O-18:0/0:0) | 12408.00 | 1409.33 | 2874.25 | 546.75 | 2485.80 | 4411.20 | 598.83 | 642.50 | |
| PE(P-18:0/17:2(9Z,12Z)) | 1.00 | 12926.33 | 1.00 | 3253.50 | 1.00 | 12706.00 | 1.00 | 1.00 | |
| PE(P-18:0/22:4(7Z,10Z,13Z,16Z)) | 18167.00 | 30363.67 | 1.00 | 1444.75 | 4401.40 | 21354.60 | 3380.00 | 1.00 | |
| PE(P-20:0/17:1(9Z)) | 343472.50 | 297861.00 | 28685.25 | 89536.00 | 46389.40 | 295384.00 | 78091.67 | 120958.83 | |
| PG(18:1(11Z)/18:1(9Z)) | 1.00 | 1.00 | 4831.00 | 1.00 | 10561.00 | 2328.20 | 1635.50 | 2415.17 | |
| PG(18:1(11Z)/20:3(5Z,8Z,11Z)) | 106931.00 | 84525.00 | 83524.50 | 39191.50 | 86451.00 | 114738.20 | 57789.17 | 92348.50 | |
| PGC2 | 88709.50 | 16702.67 | 46880.50 | 54730.75 | 111818.40 | 7375.20 | 59163.17 | 70075.50 | |
| PGE2 | 77004.75 | 5578.00 | 56559.00 | 57196.50 | 44885.20 | 1.00 | 14651.50 | 32582.83 | |
| PGF1? | 41704.75 | 36118.67 | 32592.75 | 25903.25 | 36187.80 | 43363.20 | 27905.83 | 33967.50 | |
| Phe Gly Phe Gly | 1.00 | 6091.33 | 1.00 | 1617.75 | 1.00 | 4135.20 | 1.00 | 908.50 | |
| Phenylenediamine | 845949.50 | 1.00 | 1.00 | 1.00 | 1.00 | 13480.60 | 51225.83 | 11705.00 | |
| Phenylethylamine | 98600.25 | 66785.00 | 76898.00 | 71216.00 | 61117.40 | 51201.60 | 53953.50 | 75413.83 | |
| Phlorizin chalcone | 3117.25 | 7464.00 | 1.00 | 1515.25 | 1.00 | 5944.60 | 1.00 | 1.00 | |
| PI(16:0/20:5(5Z,8Z,11Z,14Z,17Z)) | 8978.75 | 7107.00 | 3679.50 | 1.00 | 914.80 | 7934.00 | 1.00 | 3772.50 | |
| PI(16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) | 13947.00 | 12680.00 | 2299.75 | 5552.75 | 957.60 | 10245.40 | 6759.17 | 11389.33 | |
| PI(18:1(11Z)/16:1(9Z)) | 62521.75 | 46035.33 | 21087.75 | 14874.00 | 8198.80 | 53615.80 | 17129.00 | 32622.67 | |
| PI(18:1(9Z)/18:1(9Z)) | 50251.00 | 72718.33 | 31603.25 | 20973.75 | 21591.40 | 52282.40 | 31366.50 | 33413.67 | |
| PI(18:1(9Z)/18:2(9Z,12Z)) | 45764.25 | 27745.67 | 1.00 | 6939.75 | 13408.20 | 36427.20 | 19356.67 | 4312.33 | |
| PI(18:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)) | 40078.25 | 1773.67 | 1.00 | 1.00 | 1.00 | 41993.80 | 2071.50 | 17553.67 | |
| PI(20:3(5Z,8Z,11Z)/18:1(11Z)) | 527695.00 | 500797.67 | 152921.25 | 201873.25 | 183834.60 | 444035.60 | 308749.67 | 571100.00 | |
| PI(20:3(8Z,11Z,14Z)/18:2(9Z,12Z)) | 64168.00 | 19450.33 | 7965.50 | 16637.00 | 11031.20 | 49465.00 | 34463.50 | 18019.67 | |
| PI(20:4(8Z,11Z,14Z,17Z)/16:0) | 132890.25 | 106805.67 | 25989.00 | 45446.25 | 19969.20 | 108864.20 | 59468.00 | 102567.00 | |
| PI(22:1(11Z)/22:4(7Z,10Z,13Z,16Z)) | 9722.25 | 6480.00 | 6316.25 | 5049.50 | 4891.60 | 1927.20 | 4270.50 | 12306.00 | |
| PI(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:0) | 9446.75 | 8571.67 | 1.00 | 1570.00 | 1.00 | 6540.40 | 2399.67 | 5308.83 | |
| Piperidine | 243838.50 | 244023.00 | 129317.25 | 192419.75 | 170198.80 | 311966.00 | 116552.33 | 161802.00 | |
| Piperidine + 6.1769915 | 235246.25 | 182285.33 | 99921.25 | 156093.00 | 106574.60 | 324904.40 | 92706.00 | 147438.17 | |
| Pirbuterol | 186572.50 | 79665.67 | 56905.50 | 45417.50 | 38942.40 | 131616.80 | 66690.17 | 50212.33 | |
| Pirimicarb | 11034251.00 | 9866033.33 | 8549036.75 | 9643126.50 | 8544261.60 | 9100000.20 | 9644226.33 | 12061976.83 | |
| Piscerythramine | 44333.50 | 1.00 | 18647.00 | 22116.50 | 31285.80 | 12773.80 | 15885.33 | 6323.17 | |
| Poloxalene | 127754.50 | 76950.67 | 75638.00 | 51167.50 | 57905.60 | 74159.20 | 60362.50 | 85370.67 | |
| Primflasine | 24595.75 | 19741.00 | 1833.50 | 17465.00 | 24996.00 | 33351.40 | 10604.67 | 26709.67 | |
| Procyanidin B1 | 28657.50 | 27953.33 | 18626.00 | 24458.25 | 31774.20 | 16270.60 | 26105.83 | 25419.67 | |
| Prometon | 3656.00 | 6916.00 | 1.00 | 2329.00 | 958.80 | 14242.00 | 1.00 | 1291.00 | |
| Propanethial S-oxide | 26397.25 | 11634.33 | 1.00 | 12895.25 | 5660.20 | 19864.80 | 3335.17 | 9249.67 | |
| Propanoylagmatine | 2574.50 | 3002.00 | 2839.25 | 1746.25 | 1.00 | 13900.00 | 1262.83 | 686.83 | |
| Propofol | 17833.75 | 12905.33 | 9626.75 | 12760.25 | 2950.60 | 13327.20 | 11557.67 | 12079.67 | |
| Prosopinine | 26225.50 | 5172.33 | 21066.25 | 7427.25 | 18377.00 | 12886.00 | 10440.50 | 11612.50 | |
| Pro Trp Cys | 9120.25 | 10885.67 | 3846.75 | 6971.50 | 9504.80 | 5915.20 | 4327.33 | 9334.50 | |
| PS(14:1(9Z)/0:0) | 173751.50 | 7757.33 | 175531.00 | 216173.75 | 137570.00 | 64548.20 | 101073.17 | 23587.00 | |
| PS(16:0/18:1(9Z))[U] | 1414.25 | 890.00 | 20038.75 | 21295.75 | 23762.20 | 1.00 | 15636.17 | 7165.33 | |
| PS(18:0/20:4(8Z,11Z,14Z,17Z)) | 130883.25 | 37824.00 | 173743.00 | 111178.25 | 136788.40 | 47673.40 | 97623.67 | 58887.00 | |
| PS(18:0/22:5(7Z,10Z,13Z,16Z,19Z)) | 684354.25 | 49881.33 | 86186.25 | 11571.50 | 346633.20 | 144842.00 | 546817.00 | 140836.00 | |
| PS(20:0/0:0) | 15712.75 | 21268.67 | 14177.50 | 12957.50 | 12168.60 | 24383.40 | 1.00 | 24318.00 | |
| PS(21:0/20:4(5Z,8Z,11Z,14Z)) | 18713.75 | 33428.67 | 8474.00 | 14391.25 | 5541.40 | 214595.80 | 8207.50 | 16532.67 | |
| PS(21:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) | 8080.00 | 27607.67 | 1.00 | 19539.50 | 10707.00 | 6699.80 | 3084.00 | 26827.83 | |
| PS(22:4(7Z,10Z,13Z,16Z)/0:0) | 2524.75 | 19227.00 | 14968.25 | 6034.75 | 2967.00 | 14877.20 | 25252.17 | 12263.67 | |
| PS(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:1(11Z)) | 22364.50 | 33581.00 | 1.00 | 13547.50 | 4761.40 | 27374.60 | 5098.33 | 18534.83 | |
| Psicofuranine | 149418.00 | 97631.00 | 58869.25 | 86256.00 | 43748.20 | 146260.80 | 61223.50 | 76943.33 | |
| Psicofuranine + 3.517004 | 27099.25 | 17694.33 | 8690.75 | 18207.50 | 10495.80 | 46235.00 | 10781.33 | 17723.83 | |
| PS(P-20:0/20:3(8Z,11Z,14Z)) | 190088.50 | 1.00 | 161015.75 | 82142.00 | 145464.20 | 26433.40 | 218571.17 | 15505.17 | |
| Pumiliotoxin A | 12474.50 | 11700.33 | 13242.50 | 7662.00 | 6007.00 | 13509.40 | 9150.33 | 12908.33 | |
| Quinolin-2-ol | 72576.75 | 190894.67 | 90883.75 | 68816.75 | 62371.40 | 185732.60 | 94282.50 | 54587.17 | |
| Quinolin-2-ol + 1.9616449 | 37286.50 | 37863.00 | 56700.50 | 93790.50 | 38127.20 | 42895.40 | 40728.00 | 31585.17 | |
| (R)-(+)-2-Pyrrolidone-5-carboxylic acid | 11977.25 | 7605.67 | 6848.25 | 5118.75 | 8695.60 | 17629.20 | 5119.00 | 9284.67 | |
| (R)-(+)-2-Pyrrolidone-5-carboxylic acid + 7.1568255 | 3026307.25 | 1141283.67 | 873912.00 | 773104.25 | 998056.80 | 3502018.40 | 770552.83 | 1158180.17 | |
| Ramipril | 10321.25 | 3462.33 | 774.75 | 4046.25 | 1311.60 | 6521.40 | 5252.17 | 2158.67 | |
| (R)-benzyl Mandelate | 335370.00 | 352295.67 | 294825.75 | 66861.75 | 1.00 | 407958.80 | 207947.83 | 3551.67 | |
| Resveratrol 4^-Methyl Ether | 49673.75 | 42972.33 | 11625.25 | 1.00 | 10430.60 | 61244.00 | 26561.67 | 81422.83 | |
| Rhexifoline | 21718.50 | 42111.67 | 20430.00 | 39268.75 | 1.00 | 47289.80 | 23550.67 | 17359.83 | |
| Riboflavin (Vitamin B2) | 32552.75 | 31993.00 | 18449.25 | 39063.00 | 19766.40 | 31486.60 | 13620.17 | 26724.00 | |
| Ricinoleic acid | 100486.75 | 32948.67 | 47407.75 | 39148.00 | 111538.80 | 41447.60 | 40900.67 | 27680.33 | |
| Rimantadine | 1504.25 | 5463.33 | 1.00 | 5086.00 | 5288.40 | 6682.40 | 11072.67 | 7584.83 | |
| Rugosal A | 39167.25 | 53182.00 | 40111.25 | 60194.50 | 28865.20 | 51558.40 | 40550.33 | 36980.33 | |
| Ruscopine | 399942.50 | 387142.33 | 276021.75 | 333738.00 | 319793.80 | 420311.20 | 271067.67 | 377165.67 | |
| S-(4-Methylthiobutylthiohydroximoyl)-L-cysteine | 12842.25 | 2442.00 | 8258.50 | 4559.75 | 1420.00 | 7515.60 | 2858.50 | 5027.17 | |
| S-Acetyldihydrolipoamide | 58413.25 | 12698.33 | 14841.25 | 2852.75 | 3880.40 | 22940.80 | 11205.33 | 3479.00 | |
| Saphenamycin | 1.00 | 2638.67 | 4083.50 | 8468.75 | 992.80 | 7381.60 | 4845.83 | 3024.17 | |
| S-(Carboxymethyl)-L-cysteine | 159263.00 | 11081.67 | 35850.50 | 65214.25 | 74547.40 | 35824.00 | 55645.67 | 54008.17 | |
| sec-Butylbenzene | 1148158.25 | 1248249.67 | 936157.50 | 686581.75 | 621476.80 | 352353.00 | 1047563.83 | 417191.17 | |
| Sesamex | 100365.00 | 114045.33 | 71315.50 | 68197.25 | 83222.20 | 90670.40 | 75385.67 | 85579.67 | |
| Sesamex + 1.5498425 | 220435.50 | 357359.00 | 278277.50 | 302939.00 | 293907.40 | 322168.60 | 215608.33 | 259488.17 | |
| Sethoxydim | 68209.25 | 36458.00 | 43209.75 | 49410.50 | 26684.60 | 41447.20 | 57441.83 | 34884.50 | |
| Sethoxydim + 6.207309 | 20568.75 | 7408.00 | 8506.50 | 5984.25 | 1770.40 | 10097.60 | 8348.50 | 12853.67 | |
| Spergualin | 69373.25 | 46843.33 | 32844.75 | 30988.00 | 69116.80 | 59017.00 | 50347.67 | 40274.33 | |
| Spergualin + 1.1258513 | 81116.75 | 1.00 | 96237.25 | 24761.25 | 141121.80 | 48543.20 | 83477.67 | 9455.50 | |
| Sphinganine | 19850.50 | 8157.00 | 5519.50 | 9928.25 | 1930.40 | 9047.40 | 6315.33 | 10412.50 | |
| Sphingosine | 7674.00 | 5379.00 | 1.00 | 4196.00 | 2708.00 | 6802.80 | 1910.00 | 2195.17 | |
| Sphingosine + 4.3871903 | 16751.00 | 3179.00 | 6376.25 | 9792.75 | 3432.00 | 10386.80 | 6657.17 | 19419.67 | |
| Staphidine | 36987.75 | 36497.33 | 52525.25 | 29832.25 | 3610.20 | 62479.00 | 25734.83 | 30562.33 | |
| Stearamide | 16048.25 | 16247.67 | 8508.00 | 5406.00 | 10418.60 | 22649.40 | 13416.83 | 12071.00 | |
| Strictosidine aglycone | 46584.25 | 40689.67 | 49821.75 | 44017.75 | 23836.40 | 47830.00 | 40008.83 | 42664.17 | |
| Stypoltrione | 4783.00 | 13755.67 | 1.00 | 3186.25 | 5838.40 | 13932.80 | 1.00 | 1883.67 | |
| Sugetriol | 51134.50 | 1.00 | 24559.00 | 34799.75 | 13552.20 | 22883.40 | 32605.17 | 32481.17 | |
| Sulfathalidine | 82108.50 | 103892.67 | 1.00 | 45329.25 | 16668.40 | 87313.80 | 39093.83 | 74599.17 | |
| Taurine | 2195692.75 | 790553.00 | 640946.00 | 846488.00 | 891127.80 | 1590509.80 | 727775.50 | 966391.67 | |
| Taurocholic acid | 37348.50 | 18745.67 | 1.00 | 1324979.25 | 1265621.40 | 1177544.60 | 242372.33 | 86408.67 | |
| Taurohyocholic acid + 4.3186736 | 9789.50 | 37337.00 | 1.00 | 549952.00 | 207686.40 | 573399.00 | 111229.67 | 87265.83 | |
| Taurohyocholic acid + 4.596465 | 20468.50 | 16810.33 | 1.00 | 2567532.75 | 608830.80 | 1330827.00 | 168288.33 | 118462.17 | |
| Taxine B | 56527.75 | 1.00 | 148096.00 | 27524.50 | 161146.80 | 9359.80 | 46755.00 | 1557.17 | |
| Tetranactin | 6262.50 | 16729.67 | 1.00 | 8796.50 | 9136.60 | 6136.20 | 6322.33 | 4486.50 | |
| TG(16:0/17:2(9Z,12Z)/18:2(9Z,12Z))[iso6] | 4118.75 | 1975.67 | 1.00 | 1.00 | 1.00 | 5470.40 | 1.00 | 1977.83 | |
| TG(17:0/17:1(10Z)/17:0) (d5) | 4178.75 | 1625.33 | 1.00 | 1.00 | 1.00 | 19633.00 | 1.00 | 92749.17 | |
| TG(18:2(9Z,12Z)/14:0/18:2(9Z,12Z))[iso3] | 11404.50 | 3465.33 | 1467.50 | 1628.25 | 2473.20 | 25409.80 | 10518.83 | 9554.50 | |
| TG(18:2(9Z,12Z)/18:2(9Z,12Z)/18:3(6Z,9Z,12Z))[iso3] | 5887.25 | 52533.00 | 12978.50 | 11763.75 | 2495.00 | 1566.20 | 17166.67 | 68030.17 | |
| Thr Phe Asp | 185283.50 | 6697.00 | 124709.00 | 115492.50 | 194526.40 | 73727.20 | 85501.00 | 31436.00 | |
| Thr Trp Asn | 8637.00 | 5100.33 | 994.50 | 3704.25 | 1.00 | 2524.80 | 7502.67 | 2017.83 | |
| THTC | 344098.25 | 623393.00 | 387833.00 | 256278.75 | 164836.40 | 1147967.80 | 326917.83 | 331068.67 | |
| Thymidine | 375659.75 | 302094.67 | 174510.75 | 197465.00 | 192379.20 | 237069.60 | 184666.67 | 237511.00 | |
| Thymine | 434945.75 | 219932.00 | 210617.25 | 209924.75 | 193928.20 | 325206.60 | 210146.83 | 246425.83 | |
| Thymine + 7.1826386 | 8179.50 | 1.00 | 1.00 | 7055.75 | 1.00 | 41395.80 | 1.00 | 1.00 | |
| Traumatic Acid | 53523.25 | 39220.33 | 89451.75 | 62079.75 | 96763.80 | 45674.80 | 83186.50 | 43949.17 | |
| Traumatic Acid + 1.2060251 | 42171.25 | 1.00 | 52755.75 | 1.00 | 87922.80 | 17595.40 | 20622.33 | 20126.33 | |
| Tridemorph | 19495.50 | 5643.33 | 13514.25 | 10860.75 | 5745.20 | 3780.60 | 11569.17 | 12145.17 | |
| Trilobine | 2102.25 | 6599.00 | 1.00 | 844.00 | 1.00 | 9066.40 | 1.00 | 1.00 | |
| Trimethylamine | 161636.50 | 99823.67 | 106191.25 | 143122.25 | 129597.20 | 150217.60 | 85783.33 | 111860.50 | |
| Trimethylamine + 7.8191104 | 14256.75 | 1.00 | 1.00 | 4350.25 | 1.00 | 9868.60 | 4491.83 | 2658.17 | |
| Trimethylamine N-oxide | 292927.25 | 87954.00 | 53105.50 | 24021.00 | 480.40 | 111115.40 | 46341.83 | 22217.67 | |
| Trolamine | 48739.75 | 36333.67 | 57962.50 | 79298.00 | 56720.20 | 105523.80 | 63267.67 | 96543.67 | |
| Tryptophan | 57846.50 | 6427.67 | 26505.00 | 194849.00 | 42680.60 | 17192.80 | 5390.00 | 30207.50 | |
| Tumonoic Acid I | 1.00 | 7532.00 | 31322.50 | 25682.50 | 6319.00 | 29941.40 | 10546.67 | 2582.17 | |
| Tutin | 33118.25 | 29344.33 | 17092.00 | 21516.00 | 26426.00 | 33232.20 | 25358.83 | 21991.50 | |
| Tutin + 2.6770117 | 220684.50 | 177559.00 | 126886.75 | 221211.00 | 68129.20 | 274348.40 | 84782.17 | 119463.50 | |
| Tutin + 3.0069094 | 29291.00 | 27645.00 | 25691.75 | 23105.00 | 15577.20 | 65641.20 | 26385.83 | 24697.33 | |
| Tylosin | 11877.25 | 36193.67 | 44716.75 | 38057.25 | 9870.80 | 22996.20 | 46179.67 | 16353.83 | |
| Tyr Glu Ile | 62384.75 | 2698.33 | 48855.00 | 55478.00 | 55049.40 | 21547.00 | 26502.33 | 9908.67 | |
| Ubiquinone (Q2) | 27669.25 | 2286.00 | 1.00 | 2314.50 | 1.00 | 2915.20 | 4051.17 | 8314.50 | |
| Undecylprodigiosin | 1.00 | 6878.67 | 1.00 | 2485.75 | 1.00 | 5893.80 | 1.00 | 7708.00 | |
| Uracil | 62763.00 | 40404.33 | 36163.50 | 28921.50 | 31972.00 | 64013.00 | 30628.33 | 28585.00 | |
| Uracil + 1.7113016 | 49918.00 | 13072.33 | 6989.75 | 9370.25 | 16472.60 | 23795.20 | 6893.17 | 13968.83 | |
| Urea | 44026.25 | 49508.67 | 34862.50 | 45645.00 | 30086.60 | 50511.80 | 28693.83 | 26092.50 | |
| Urea + 2.1285865 | 1831359.00 | 1878372.00 | 1363271.75 | 1399717.50 | 1567748.80 | 2042508.20 | 1282368.33 | 899498.83 | |
| Urea + 3.788126 | 68768.25 | 56973.00 | 60079.75 | 56417.25 | 33849.40 | 86965.40 | 37847.17 | 16111.50 | |
| Uridine | 506147.00 | 394741.67 | 221745.75 | 465048.25 | 244588.60 | 523700.60 | 199984.83 | 385279.33 | |
| Urocortisol | 10202.25 | 1.00 | 3048.00 | 9717.25 | 3991.20 | 4407.80 | 2738.50 | 12745.50 | |
| Valeroidine | 65866.50 | 132927.67 | 155740.50 | 153036.75 | 120270.00 | 107269.20 | 96407.00 | 117024.83 | |
| Val Ile | 13610.75 | 8240.00 | 1.00 | 3509.00 | 1.00 | 12398.40 | 1333.17 | 2327.33 | |
| Velloquercetin | 7116.00 | 12691.67 | 2485.50 | 6032.25 | 6014.20 | 15786.00 | 3594.50 | 8485.33 | |
| Vernolic acid | 278447.50 | 254530.33 | 281429.25 | 400010.50 | 436005.80 | 245455.80 | 231582.00 | 224410.17 | |
| Vernolic acid + 1.1473087 | 1510002.00 | 1635704.67 | 1411521.50 | 1369750.25 | 1418666.40 | 1522854.40 | 1285960.00 | 1138961.83 | |
| Xamoterol | 4091.00 | 11355.33 | 1742.00 | 3797.50 | 793.00 | 20730.40 | 3956.67 | 963.33 | |
| Xamoterol + 9.089115 | 22322.75 | 1329.33 | 521.25 | 1.00 | 727.40 | 24950.00 | 4384.50 | 4828.67 | |
| Xanthine | 75543.00 | 1.00 | 734.00 | 17388.25 | 9937.20 | 37366.00 | 6770.00 | 8490.83 | |
| Xanthoaphin | 16679.25 | 42674.33 | 20878.25 | 4117.75 | 8010.40 | 26510.00 | 17680.67 | 6283.50 | |
| Xeniasterol-a | 3347.25 | 9102.00 | 10348.25 | 22767.75 | 13542.20 | 3487.00 | 6522.83 | 4191.50 | |
| ZK 168281 | 7593.00 | 9400.00 | 802.50 | 12223.50 | 3135.00 | 6885.40 | 348.33 | 2468.17 | |
| ZK 168281 + 3.9079714 | 1239.25 | 1640.00 | 2568.00 | 3424.00 | 3204.80 | 3419.40 | 6574.83 | 534.00 |
Factors:
| F1 | Group:CD | Genotype:Irlox |
| F2 | Group:Control | Genotype:IGFR lox |
| F3 | Group:Control | Genotype:Irlox |
| F4 | Group:Control | Genotype:IRlox IGFR lox |
| F5 | Group:HFD | Genotype:Irlox |
| F6 | Group:IGFRKO | Genotype:IGFR -/- |
| F7 | Group:IRKO | Genotype:IR -/- |
| F8 | Group:MIGIRKO | Genotype:IR -/- IGFR -/- |
