Data for ST002016   

(Analysis AN003284): Average values per metabolite and experimental factor (Units:intensity)

Metabolite structureAll dataF1F2F3F4F5F6F7F8
10-Hydroxycarbazepine
53738.86 89793.87 83805.40 588833.79 118766.18 93123.99 87787.28 201751.27
11-Aminoundecanoic acid
41643.32 2923284.71 2122731.74 1087128.10 415827.69 1553019.95 235401.83 698342.34
11-Nitro-1-undecene
1072200.02 1686752.65 1699952.81 1867412.12 1632584.44 2271122.78 1677015.31 1727543.87
1-(1Z-hexadecenyl)-sn-glycero-3-phosphocholine
257028.77 2666039.94 2418339.17 4141662.61 1335408.69 2032561.91 2867790.59 2932347.82
12-Aminododecanoic acid
649817.85 996513.93 1077259.41 1287407.00 945351.46 1716521.23 1489160.97 1061642.30
12-Hydroxydihydrochelirubine
46375.86 83243.83 77084.69 447719.18 107358.02 459530.74 156625.15 219639.51
1,3,5-Heptatriene
414975.98 690752.55 156391.61 477892.62 151552.15 346531.73 1494941.50 991868.76
1,3-Dicyclohexylurea
186092.77 502434.71 376175.60 230173.95 558198.14 265179.91 441775.22 363517.51
15-Crown-5
270086.70 39386646.39 179594691.81 134352237.45 61523510.05 91077144.52 53549260.15 95895006.31
1,5-DAN
55080.42 15935525.06 12891021.09 16978192.12 16532164.02 13233932.66 18073543.65 18120760.00
1,7-Dimethyluric acid
44778.68 806006.46 75547.85 752327.70 53441.59 101911.17 666293.03 579960.31
1-[(9Z)-hexadecenoyl]-sn-glycero-3-phosphocholine
590180.21 24810166.83 44898961.54 32523068.63 27739848.54 43249768.08 36989037.71 34198086.96
1-Aminocyclopropane-1-carboxylate
197423.40 6564282.51 6600322.88 8654271.46 9034537.50 8418754.31 7580088.65 8978140.53
1-arachidonoyl-sn-glycero-3-phosphocholine
445655.82 27162539.59 29604816.11 54885152.58 17610375.88 35283070.35 21091289.19 28984216.63
1-(beta-D-Ribofuranosyl)-1_4-dihydronicotinamide
44268.15 5129835.38 6257253.17 4220608.76 7244851.13 6457321.55 4713422.40 4196534.35
1-heptadecanoyl-sn-glycero-3-phosphocholine
307523.95 3134567.88 3931574.27 7205317.62 2958687.92 5287820.78 4083298.08 5744358.87
1-Hexadecanoylpyrrolidine
1689568.39 453576.48 395582.43 1983746.93 844082.31 480839.41 686117.32 1099316.79
1-Linoleoylglycerophosphocholine
469302.88 71099583.36 145080943.56 200814196.75 87144734.32 172394127.55 141750378.66 173249538.61
1-Methyladenosine
37281.27 3743192.86 3437868.02 3068172.79 3892848.24 3223170.52 4865587.28 3519167.29
1-Methylhistidine
28310.71 1743919.18 2559700.31 2909751.27 3868792.72 2937276.15 3129392.13 2989333.97
1-Methylpyrrolinium
30199.33 2011535.34 806211.71 4523924.56 2454936.82 6460098.07 2011636.81 2422210.82
1-Methyluric acid
39576.44 440817.94 216089.36 1230683.10 290999.46 311995.35 961903.29 864429.74
1-Methylxanthine
41808.45 2933777.26 4057229.26 3401942.21 290168.05 192717.86 2040808.76 2217181.03
1-Oleoylglycerophosphocholine
802273.22 48947522.43 76141052.13 71122166.36 49534655.70 95979977.80 60859197.86 66937224.12
1-Palmitoyl-2-hydroxy-sn-glycero-3-PE
283558.50 4563074.92 3813266.47 6149899.15 4637846.30 6162004.32 3905710.92 4505903.54
1-palmitoylglycerol;MAG(16:0)
17778530.16 106315179.86 115457273.01 287411667.28 62922900.89 120509317.24 58782242.39 232612297.33
1-Palmitoylglycerophosphocholine
2362061.68 610362564.26 848078525.62 819186021.99 697050690.60 731948248.94 640760155.14 692353747.02
1-Pyrroline
39036.98 10321025.20 12682109.25 16173599.15 18175758.68 19117410.37 16196371.78 17601304.22
1-Pyrroline-2-carboxylate
53018.46 2696271.35 4064057.53 4314412.34 10051380.48 2576132.25 5494913.97 5553504.72
(1-Ribosylimidazole)-4-acetate
28063.91 1603713.04 1093375.51 1086386.09 893321.23 1190274.03 1526728.28 1081850.85
(1S,2R)-3-(4-Chlorophenyl)-3,5-cyclohexadiene-1,2-diol
135300.05 251086.57 135096.26 150613.63 8759069.92 42033189.95 269679.54 246738.77
1-Stearoylglycerol
9173974.55 145695727.10 167061995.09 642482365.75 69778211.95 186103592.21 95504160.88 971768991.31
1-stearoyl-sn-glycero-3-phosphoethanolamine
207114.28 6566731.05 6713538.35 9922365.52 6445488.37 8381127.86 6406970.46 10485524.63
1-Tetradecylamine
310007.88 5207504.78 2888636.81 3911587.23 3891216.92 3003630.75 5533280.65 3748523.25
(1Z,5Z)-1,5-Cyclooctadiene
2505556.79 3740851.22 3964905.97 3457952.22 4134077.97 3606048.11 3049118.06 3300040.47
2,2-Dichloro-1,1-ethanediol
9249325.63 26173827.69 22133696.81 22866141.19 30266519.02 19567806.76 20269280.66 20646665.34
2,2^-Iminodipropan-1-ol
29024.72 845639.20 359929.02 851778.92 585541.71 561923.08 1071473.19 313625.12
2_2^-Iminodipropanoate
57891.96 1860333.68 1205054.06 1561185.05 2642556.93 400785.05 2123944.10 610566.31
2_3_4_5-Tetrahydropyridine-2-carboxylate
75871.38 13232477.77 19757961.42 20523515.27 46452448.02 12434427.53 25425293.00 26581587.95
2,3,4,9-Tetrahydro-1H-β-carboline-3-carboxylic acid
54608.94 8740212.84 5777655.36 10539106.97 11191629.40 6879139.61 9794838.38 9887908.34
2,3-DIMETHYL-5-NITROINDOLE
84264.46 152052.14 99180.70 116059.71 118382.21 586980.76 1595544.04 682380.01
2_3-Dimethylmaleate
23629.53 1128129.32 1382750.06 1584795.81 1573853.28 1609910.16 4223595.89 2549786.56
2_4-Dinitrophenylhydrazine
40218.26 313177.55 124472.34 334650.65 163144.20 155467.53 459553.47 395685.57
2-(4-Hydroxyphenyl)ethanol(Tyrosol)
226055.99 930481.57 2694124.52 3528922.95 304846.73 1800291.19 1560106.84 1626689.77
(24R_24^R)-Fucosterolepoxide
173178.72 171891.44 123316.60 2662246.78 156931.68 130785.06 287890.78 2000578.90
2_6-Dihydroxypseudooxynicotine
77671.21 906780.98 1753215.09 1112532.39 3432861.47 5699854.35 3815132.82 2087672.98
2-Acetolactate
39794.36 657297.49 229088.56 314988.09 320571.89 446954.54 570101.08 490361.15
2-Aminoacetophenone;O-Acetylaniline
88453.63 876345.15 554724.27 561956.10 495252.79 430232.19 768772.92 521241.81
2-Arachidonoyl glycerol
1004501.33 6360375.63 6515185.93 7930298.46 2386483.84 6195941.31 1616398.07 4168230.38
2-Butoxy-2-oxoethyl butyl phthalate
2455815.79 1542588.56 2533874.66 937087.36 16255478.56 39100306.42 5071195.06 2601289.10
2-Chloro-4,4^-biphenyldiol
128844.37 238360.59 173847.14 162964.11 13012740.03 57521789.24 253090.05 319899.37
2-cyanobenzaldehyde
50806.62 6254839.18 6102388.24 8039541.66 8287215.07 5945581.06 8912838.26 8875377.09
(2E)-hexadecenoylcarnitine
282936.96 2680696.84 3890207.69 2392318.47 2596187.51 2875712.45 2426641.99 1954507.57
2-Ethyl-4,5-dimethylthiazole
65765.77 6822523.66 309103.08 55101593.16 119363.24 357892.58 14623950.03 6483436.04
2-Furoylglycine;Pyromucuricacid
86856.01 366851.56 300267.27 610373.21 290497.07 829498.87 1404900.58 694152.25
2-Hydroxyhippuric acid
102493.88 970175.11 270700.74 1228661.72 222712.22 1174157.09 2638427.54 1738909.03
2-hydroxyphenylacetic acid
40801.37 343255.79 4973056.88 190491.48 195088.81 124546.71 278810.17 382711.80
2-Hydroxypyridine
112013.96 607848.57 509308.36 1046850.62 685281.95 731362.98 2051825.86 945446.53
2-Hydroxyquinoline
62780.19 862232.09 621751.00 2861136.74 625538.34 2488372.62 3034214.58 2527422.85
2-Isopropylmaleate
73607.98 1229627.21 5566974.10 1654211.02 1529380.68 4400131.77 472678.96 558379.23
2-linoleoyl-sn-glycero-3-phosphoethanolamine
344628.64 4391191.41 11291086.18 9331698.19 7995601.79 18111493.13 8815300.64 8479692.56
2-Mercaptoethanol
2937977.10 130295520.83 351351005.05 309127015.13 153757597.70 147679305.43 156674791.99 271318315.17
2-Methylcholine
46078.96 1503827.18 913742.63 1073491.87 912658.16 574005.97 1953373.43 587622.83
2-Methylnicotinamide
38886.13 248801.65 990531.34 487041.59 4943844.16 925653.40 386983.44 393275.08
2-Methylpropanamine
1535444.54 1231067.92 1459584.27 1486194.01 876149.74 1069530.49 1251708.06 938388.54
2-Methylthiazolidine
30884.91 5695207.40 4958696.67 7071855.35 8896362.53 7838266.33 7814609.38 7297664.16
2-Naphthylamine
56133.39 6093044.48 4856737.35 6320276.19 6849546.41 5057326.56 6879782.92 6692580.23
2-Oxindole
64496.12 152832.65 181115.97 179697.44 125327.26 622594.31 224138.54 228746.78
2-Oxovaleric acid
62546.20 1143460.68 1232198.11 1148029.42 3485861.03 1322250.79 3542983.11 2262232.90
2-PCB
20036.26 1416183.48 3672959.11 2322853.62 2061879.27 5275448.41 2326282.59 2444550.55
2-Phenyl-4-pentenal
136871.28 2129259.04 2392609.43 2381299.33 2314255.75 2256717.98 1872572.44 2128526.42
(2S)-2-Amino-8-hydroxyoctanoic acid
33806.36 557028.28 1535634.29 932593.66 2735232.11 2435311.00 1106333.31 808869.95
2S-Amino-tridecanoic acid
84807.74 754765.69 4515208.04 2756662.36 1010404.01 1875055.29 1259958.98 2024634.61
2-(tert-butylamino)-1-(3-chlorophenyl)propan-1-ol
73044.56 129027.15 120948.80 123688.88 104867.21 124740.72 3221072.83 1030146.57
2-trans-Hexadecenal
561800.93 663255.16 708656.01 1768974.40 308763.97 787842.09 379466.71 1237345.10
(2Z)-4-(Octadecyloxy)-4-oxo-2-butenoic acid
214313.30 438245.69 351014.55 1196713.61 206050.68 472934.38 372694.88 3449691.20
3-(3,4,5-trimethoxyphenyl)propanoic acid
579733.79 1520864.27 13127783.27 8237915.85 3778122.93 5372757.99 4902632.21 4900591.55
3_4-Dihydroxymandelate
24290.20 4464679.90 4898762.19 3646523.36 7012659.96 5480156.79 3533316.81 4059061.06
3_4-Dihydroxyphenylethyleneglycol
68004.18 154000.08 299863.60 427980.59 280035.33 362293.03 887364.21 576350.21
3,4-DIHYDROXYPHENYLGLYCOL
52239.56 877474.25 435288.32 431767.76 1370379.54 1058084.40 681687.23 452237.44
3-(4-Hydroxy-1,3-benzothiazol-6-yl)alanine
148437.52 288357.95 239773.95 303583.98 226398.92 327577.04 4953311.63 1474782.80
3,5-ditert-butyl-4-hydroxybenzaldehyde
10367842.59 7609073.33 6062447.48 7783688.63 5401841.44 7126189.81 6502685.02 6704921.40
3,5-ditert-butyl-4-hydroxybenzonitrile
109508.48 240590.38 188376.83 25056628.60 278793.81 312648.47 32969729.59 26490555.97
3, 5-Tetradecadiencarnitine
455778.96 5818143.43 9041814.76 5146185.43 6951462.14 9252700.24 6736721.88 4901090.58
3,6-Diacetyl-9-isoamylcarbazole
88877.97 108192.19 101259.68 101339.81 101311.24 93061.16 1312056.33 306176.96
3-Amino-2-methylpropanoate
29403.44 6274987.40 7430915.32 7068857.14 9965151.33 13340602.76 6108608.46 7187951.46
3-Butyn-1-al
38203.73 3309227.48 2451152.33 2802760.33 2991323.58 1807069.94 3743694.18 3074257.53
3-Chloro-4-nitro-1,2-oxazole
5444135.01 81397961.82 90321988.18 81362704.00 98885452.14 79880289.90 86027333.95 81456806.23
3-CYSTEINYLACETAMINOPHEN
46005.06 43052456.21 22244510.43 29332565.27 16212375.36 34348529.88 19136103.85 17966374.39
3-Dehydrocarnitine
100862.67 427265.12 278117.45 713092.06 854545.29 584206.49 1355935.71 1088560.24
3-Dehydroxycarnitine
65905.88 7393189.24 9274929.96 8745197.50 12948997.78 8234549.04 8431172.08 9498448.60
3-Hydroxy-2-methyl-4-pyrone
50999.52 2854426.20 2447207.18 2642020.55 5211857.20 2612981.59 2504942.18 2369124.00
3-Hydroxy-3-[(3-methylbutanoyl)oxy]-4-(trimethylammonio)buta...
44038.25 4675524.80 8957583.44 6161564.85 7108335.42 16284326.10 5645393.71 6670974.71
3-Hydroxyanthranilic acid
41145.60 1473892.27 102957.82 249596.25 667703.87 195728.91 342293.53 286239.90
3-Hydroxy-cis-5-tetradecenoylcarnitine
116388.78 1381465.93 2903933.71 1247469.26 2123906.43 3081965.43 1631140.67 1231414.83
3-Hydroxycotinine
31711.73 75147.97 67297.49 69240.22 74518.44 75734.51 2493429.32 951183.95
3-hydroxydodecanoylcarnitine
55130.72 2087604.43 827634.16 252744.91 671103.22 757165.36 663550.67 415862.36
3-Hydroxy-N-(2-oxotetrahydro-3-furanyl)dodecanamide
93191.22 621282.81 847521.18 1216584.49 1849830.58 2276769.96 2115265.30 1382237.53
3^-HYDROXYPENTOBARBITAL, (1^R,3^S)-(+/-)-
75992.75 2259957.10 1240261.37 956052.12 1696025.13 1626320.69 5743624.42 3051392.21
3-METHOXYTYROSINE
38337.38 3016786.34 183327110.16 2810211.72 4192363.43 2004488.12 3423365.68 8969316.08
3-Methylcrotonylglycine
55394.78 785713.50 372996.78 428952.41 519323.42 640767.48 761247.59 603690.51
3-Methylsulfolene
62462.18 68861628.60 62309395.53 87237942.36 111120980.67 94345700.91 95280463.11 91350432.43
3-NITRO-L-TYROSINE
40500.86 1412561.93 163403.12 827908.06 991951.59 301163.61 111432.82 357725.55
3-Oxalomalate
30401.36 5637133.21 5692323.26 8506068.30 7375921.65 5799272.32 9053177.66 8826152.92
3-Oxo-N-(2-oxotetrahydro-3-furanyl)decanamide
37010.51 476215.10 312347.50 739371.25 3687560.48 121674.50 906822.94 723302.22
3-Oxotetradecanoic acid
2646886.10 2804029.16 2735111.09 3267242.02 3066534.24 4031079.53 3030706.69 3111055.39
3-Ureidoisobutyrate
322255.83 14460002.40 3652545.54 6653767.12 2807321.91 5513269.82 12876269.47 6966463.61
4,4^-dimethoxy[1,1^-biphenyl]-2-carbonitrile
46740.10 2332338.62 3986598.38 3655537.93 3174982.85 4730486.08 3183105.64 3431118.62
4,4^-Thiobis(butan-2-one)
100953.30 12084987.18 6742538.70 3555153.42 9073458.83 6333252.22 6638687.58 5917375.94
4,6-Dimethyl-2(1H)-pyrimidinone
61642.24 2867476.39 6075111.62 3429799.01 3230652.48 2401806.93 2680680.85 2664590.35
4-Acetamidoantipyrine
240008.77 496439.84 382349.94 34506862.44 312490.61 377592.64 418050.42 21081342.94
4-Acetamidobutanoic acid
90650.48 6027005.82 3714160.25 4312550.31 3389637.76 7514589.00 10635580.37 8508113.14
4-Amino-3-hydroxybenzoic acid
49383.56 3696485.14 6636153.09 4144454.60 7377447.02 9656735.55 4258725.13 4254706.33
4-Aminohippuricacid
51289.15 1314403.45 806340.42 1014143.53 654062.00 1059026.60 1756261.93 842556.26
4-Aminophenol
54605.75 4430532.45 5695060.82 5542168.52 5545164.84 2791734.18 2411737.30 3985565.55
4-Aminopyridine
24677.81 738657.81 454326.09 278964.72 326623.06 522442.48 442050.78 354019.61
4-Coumarylalcohol
60944.82 492083.38 264839.77 399452.13 960924.59 581286.28 560317.27 403233.45
4-Coumarylalcohol(4-Hydroxycoumarin)
3117284.80 1394040.19 1196200.78 1672823.06 1142561.88 1401578.39 1051599.31 1432170.77
(4E)-1,7-Bis(4-hydroxyphenyl)-4-hepten-3-one
59079.16 925141.55 5969944.10 11432784.87 4237036.64 61125958.88 10632468.79 16803719.43
(4E)-2-Oxohexenoic acid
59878.86 289544.93 333628.37 459336.76 187462.92 542948.12 541823.48 452326.20
4-Ethynylaniline
102870.89 21803371.13 18060629.40 23471860.41 23691837.42 18453045.94 25247745.62 25060736.21
4-Formylaminoantipyrine
148930.90 1311783.11 260649.35 14891757.22 195779.06 258388.07 444396.35 7153468.84
4-Guanidinobutanoate
27482.77 770661.37 300098.71 405117.84 434469.40 389939.74 610305.32 182956.42
4-HQN
66208.12 122322.62 103455.11 438744.05 89035.43 756725.67 418618.55 256000.65
4-Hydroxy-2-butynal
136252.22 6316476.56 4923824.26 4890231.52 7040724.51 4520874.96 5113761.36 4965600.99
4-Hydroxybenzaldehyde
561120.80 1036232.65 771170.95 1699131.48 989032.62 1781842.72 1200078.56 1414773.77
4-Hydroxycinnamoylmethane
240247.56 317310.85 94969.25 1147333.79 2508028.08 103333.20 351625.19 659775.01
4-Hydroxymandelicacid
46004.59 1357096.51 950060.18 1063296.61 2935405.90 2149170.85 1107788.93 1195335.74
4-Hydroxyphenylacetaldehyde
136255.66 141286.48 377481.92 678974.49 98528.85 1992119.34 242352.72 332526.73
4-Hydroxyprolylleucine
53017.66 463625.86 1259665.45 720108.95 1169288.84 884487.74 1780877.13 1304938.75
4-Imidazolone-5-propanoate
33200.05 787481.72 781393.30 678973.85 1460489.66 921397.00 795533.03 732237.72
4-Imino-1-(beta-D-ribofuranosyl)-1,4-dihydro-3-pyridinecarbo...
33215.13 1259506.07 1431672.02 941274.98 1479651.74 1494359.94 1582585.70 1127302.97
4-Indolecarbaldehyde
76207.87 2303911.80 1337055.78 3166231.00 2107141.06 3147995.06 2925440.49 2408533.20
4-Methyl-2-phenyl-1,3-thiazole
39682.90 2928216.99 1132687.78 1046191.23 4242145.79 3103925.65 1263460.13 1144916.36
4-Methylaminoantipyrine
45909.26 6565782.00 10208944.26 17459635.60 11072286.65 7059413.17 12597998.05 11468057.41
4-METHYLCATECHOL
237658.49 410399.72 225910.01 1345080.28 3060314.87 190440.25 458202.40 567626.21
4-Methylene-2-oxoglutarate
137165.24 729724.53 1013449.73 729363.20 826837.01 740416.21 5122764.15 1293467.79
4-Methylene-L-glutamine
62342.67 4265421.45 5537479.27 7846159.86 6154112.63 7513648.88 8283226.72 8286093.18
4-Pyridoxic acid
105232.42 2280120.78 928170.76 4211306.23 867701.40 4622306.62 2261169.51 2938255.85
4-Quinolinecarboxylic acid
68163.22 952337.21 266332.50 797085.25 248250.65 404972.74 529510.73 434155.07
(4S)-4-[(2E)-2-Octenoyloxy]-4-(trimethylammonio)butanoate
92733.00 50754441.77 96035172.49 78468480.48 99106754.30 84648419.59 74834234.27 65855939.16
4-Sulfanyldihydro-3(2H)-furanone
51481.80 1019830.57 730376.39 353294.43 897983.65 548865.30 614269.33 545721.91
5_10-Methenyltetrahydrofolate
71144.98 110157.56 100131.61 86331.29 68516.71 84559.96 1127219.29 275940.54
5-Acetylamino-6-amino-3-methyluracil
35874.21 254948.05 1595155.03 519397.63 88726.26 92075.60 360339.27 443280.30
(5alpha,6beta)-3-Hydroxy-17-methyl-4,5-epoxymorphinan-6-yl b...
38963.74 156499.28 89067.33 149193.69 5151462.71 4518820.55 268205.18 168593.23
5-Amino-4-imidazolecarboxylate
47989.22 105192.85 68334.52 3740994.38 95342.66 93278.95 7094416.67 7996826.57
5-Aminolevulinate
20120.34 507124.20 796444.74 939028.02 1859685.03 1529366.75 1525048.60 1133917.94
5-Aminopentanal
512103.32 9486812.17 8746700.60 10553960.70 117389203.29 97532288.28 23510447.95 23332404.91
5-Fluoro-3,5-AB-PFUPPYCA
162198.43 2098716.70 9138202.46 32032719.73 9710810.38 76201350.39 16786042.01 32696542.33
5-Hydroxyindole-3-acetic acid
99376.29 134784609.42 154484854.62 110487511.35 163940456.13 144913379.95 80982622.50 90740733.77
5-Hydroxyisourate
160076.91 85784299.86 74900530.20 66730118.01 74385922.02 52778002.97 91802740.07 75864681.16
5-Hydroxy-L-tryptophan
81905.66 16849410.72 25977450.05 16214234.51 25231354.57 24185984.83 11921434.89 13453537.96
5-Methylthio-D-ribose
45821.76 1613961.77 1888005.61 1507063.08 2038675.05 1997099.31 1701499.14 1288294.30
5-(N,N-Dimethylcarbamimidamido)-2-oxopentanoic acid
93087.84 22654634.23 20245312.92 25870322.94 25326033.27 29720611.32 31585352.87 28776897.63
5-Valerolactone
250948.16 1789912.04 741369.25 1207550.38 1618007.44 885952.06 1469517.23 1059804.56
6-Hydroxypseudooxynicotine
37872.12 81576.88 84500.07 161668.75 456004.86 113227.07 455514.33 126159.38
6-Methylindole
50570.19 6233814.81 5109746.23 6536851.95 6601634.37 5219527.95 7233907.11 7022932.81
7,8-dihydro-8-oxoguanine
115215.79 239567.62 374022.35 1391704.28 430404.17 3967378.43 847525.51 1106590.23
7_8-Dihydroneopterin
37957.91 451779.88 544730.15 601452.53 517617.90 423276.21 566644.93 503513.39
7-methyl-3-nitroimidazo[1,2-a]pyridine
24523.80 1502449.97 1521890.73 1953900.26 2144161.30 1854245.65 2138857.96 1972345.22
7-Methylxanthosine
102659.63 173605.03 136575.74 1308860.98 127719.73 936268.71 3272639.37 1726445.43
7-Oxobenz[de]anthracene
179614.43 1268629.46 5212467.14 6061981.72 4560044.51 31543274.54 7928657.30 9952601.47
8-Amino-7-oxononanoate
38578.93 2341947.27 7359450.21 3421882.41 5144422.02 13458258.52 4623124.33 3037911.10
8-hydroxy-7-methylguanine
43400.22 1467160.40 1751191.46 1358839.85 3337474.28 2033808.25 1217225.22 1247362.30
8^-Hydroxyabscisate
1573362.66 12434371.58 19565366.91 9055975.75 2555858.01 18101283.25 2278187.79 2192489.63
8-Hydroxyhexadecanedioic acid
196286.61 211876.60 158780.59 1260712.87 128389.04 189636.34 292978.18 3173235.73
8-Hydroxyquinoline
48167.49 2812896.43 3107785.30 2236403.46 3578725.63 2931724.07 1646494.74 1855289.85
8-Oxocoformycin
37280.42 1911487.70 1315435.28 997712.26 1551262.02 1471159.65 1246071.83 1156796.60
9,12-Hexadecadienoylcarnitine
112564.22 854090.97 1351948.06 745556.34 782597.01 1247123.06 1082589.13 712942.23
9-Decenoylcarnitine
36201.73 3564463.78 6393867.58 3990171.16 7128067.54 12541051.12 6161612.80 4161776.91
Aceclidine
191897.88 584691.01 289253.00 597487.54 266554.86 320193.27 22627732.07 9622433.80
Acetoacetate
41338.96 1637324.66 2315404.55 1202617.04 2622245.08 2868281.18 1514304.93 1543064.91
Acetochlor ESA
89340.67 7861486.66 148779.14 150051.69 115095.98 141673.21 343937.73 628616.01
Acetonecyanohydrin
358936.94 6527651.72 4263259.59 4633691.08 5364542.18 9214717.05 9858347.27 8921965.68
Acetylcholine
26452.31 30022234.58 46653774.79 32223482.58 47203879.37 47031154.61 39726701.41 33930997.88
Acetyl-L-carnitine
153342.27 429950119.03 680303280.85 454517285.32 619809859.10 646244392.27 456221407.49 476498944.93
Acetyl-β-methylcholine
159250.68 28676243.88 24876587.26 20454053.25 19547824.41 24196204.91 31371720.59 35356303.05
Acycloguanosine
76556.49 106967.70 688494.40 2993969.88 93359.64 119940.64 2851566.36 1972453.74
Adaprolol
206600.87 557939.52 280051.16 927683.07 3602892.85 792181.38 1787057.07 1146870.35
Adenosine 5^-monophosphate
67011.50 21563443.16 27554845.75 31185445.47 18376047.10 22412083.08 26291838.74 25940124.76
alanyl-poly(glycerolphosphate)
90825.61 2555211.12 3513438.20 2025739.28 807376.11 4702686.45 655097.13 727340.34
Ala-Pro
173060.17 23030956.36 345098.95 25183972.00 381082.43 325116.13 6969502.59 2420058.34
Ala-Tyr
42485.23 752180.49 116264.06 482606.29 229683.06 561128.98 816441.36 606375.66
allyl bromide
20257.14 2664585.33 2634887.97 2241833.44 3030344.51 3023030.07 2132716.39 2605738.07
allylcysteine
281316.04 5936710.78 4211474.13 6414504.84 5005045.31 4235695.73 9106948.07 7316478.45
alpha-Ribazole
57749.34 286544.26 889881.90 433130.21 956655.61 576483.40 1292393.74 847279.61
Alprenolol
49818.53 1595777.31 60454.22 66400.27 54793.62 191510.00 1052791.22 462065.14
Amides, C12-18, N-(hydroxyethyl)
111130.19 16537047.09 12327744.22 3611218.16 64541.09 3114560.85 5446058.35 6840354.90
Anhydroecgonine
31238.77 29557.55 43546.97 48507.08 38981.68 39334.40 4560873.05 1383356.46
Aniline
315684.20 8283301.82 9610644.80 6824093.59 9600322.06 9144796.76 5068929.96 5673130.80
Anisole
235649.15 407099.88 225738.05 953274.75 670939.71 1035265.28 1173461.76 806952.31
Ankorine
62612.44 264517.49 1668386.16 1069008.81 1048501.69 1061540.75 2492788.30 1352308.91
Anthranilate
143781.24 337041.59 193169.73 1120979.34 255715.12 222621.75 673959.10 326252.00
apronalide
129621.28 73532288.62 114600019.11 64352040.08 86760205.83 84759201.71 52086174.59 58030929.13
ARECOLINE
359611.30 1465177.07 3564335.75 4251273.36 430402.35 2268946.61 2063383.69 2062741.72
arg-leu
53985.27 626557.01 1602506.95 317909.64 220552.73 1372520.16 131774.42 223363.71
Aripiprazole
28947.11 44469.96 43389.16 467997.49 548617.93 52114.71 68948.22 67524.73
asp-leu
293785.77 1545172.33 2285485.99 3083392.23 4006337.03 10058898.36 3775051.17 3160795.68
Atagabalin
62374.94 355232.54 629588.19 531929.17 952665.74 1092635.20 387015.65 439726.61
Atenolol acid
53496.91 128590217.73 76797992.44 128003700.72 153281360.46 4586251.31 101528887.47 153141171.81
Baclofen
48969.94 95560.07 3910495.38 1555819.00 64409.23 65968.37 1133674.66 375519.79
Benzaldehyde
1508884.46 15538814.49 10387347.59 12066804.70 14984641.38 13022322.75 10303437.33 11321424.62
Benzene
121687.27 1883666354.43 1248474093.25 1446605286.61 1744792828.47 1609811648.96 1223889504.67 1374498411.80
Benzyl2-methyl-3-oxobutanoate
195837.40 287245.76 288249.07 306673.94 310902.14 3132716.93 413872.06 282016.62
Benzyl butyl phthalate
1907564.33 614331.36 520637.38 921123.08 581189.54 533465.55 490385.68 1005866.50
Benzyl methacrylate
133474.62 2689460.21 2794046.27 3259637.64 5372300.16 3075689.53 3417313.38 3451598.13
Beta-Alanine
79409.25 9549782.11 12248820.82 10872193.12 8752972.75 16190089.49 12052593.60 12246267.48
beta-Leucine
26901.86 1635855.85 4081164.27 5408437.89 2207850.01 3055962.20 7352357.05 6075040.41
BIM-1
349810.82 3977010.66 4745713.89 2763870.26 724599.08 4852167.08 701015.72 819891.63
BiochaninA
42446.11 401982.59 304697.77 207245.14 4875145.54 5826755.02 671607.12 283696.71
Biotin
64300.63 656601.82 1284876.17 1119031.48 864191.48 3200694.87 879993.00 1069040.95
Bis(2-ethylhexyl) amine
645913.60 5703591.54 2765399.67 3552451.96 4548458.95 2840184.97 4393332.75 3208361.70
Brassylic acid
2296064.42 7893068.02 4225969.82 2063492.39 1056046.69 3169778.20 2289899.04 2029693.07
Buflomedil
65604.93 146903.91 123744.69 1574856.91 167234.47 118672.81 1274003.42 894622.60
Buphedrine
81977.90 3276302.06 3867553.91 4741802.68 8381459.07 3613044.46 3737662.71 4058217.44
Butabarbital
49009.32 1569828.85 2476813.06 3597727.00 15180042.64 3653049.07 5713917.03 5773299.48
Butoxytriglycol
24301812.90 27955270.02 33543474.84 37478252.85 24120988.37 33067456.45 29667623.82 31214146.21
Butyryl-L-carnitine
51095.49 31984325.92 39900391.83 39476869.88 38086696.95 114340410.80 26015578.84 24384885.03
Cafestol
1412620.75 776359.72 888691.89 1068231.40 584452.56 948038.64 604079.84 888864.87
Caffeine
113380.58 14562220.86 1085368.06 62128668.17 2173450.47 22889772.37 38798132.20 47862614.44
Caprolactam
1516256.45 16322285.40 16583563.52 139663417.32 13318286.21 15404953.39 119906186.32 135467769.46
Capryloylglycine
48391.78 1301272.80 278960.74 800872.10 383472.03 920022.48 655400.36 695611.00
Carbamazepine
46853.65 5843.05 5790.88 3607645.61 6706.59 9731.69 7901.44 395667.10
Carbamazepine 10,11-epoxide
161466.08 304213.09 282570.01 3174652.75 261321.68 252032.25 305285.17 1556006.16
(Carbamoylamino)(4-hydroxyphenyl)acetic acid
39765.01 5954428.18 78105.14 844675.34 86130.20 122776.52 1233601.34 987813.95
Carbaryl
52930.91 323478.41 368486.25 623937.76 257055.05 627872.51 778874.26 376755.91
Carnidazole
98498.87 10887778.14 18283403.55 7518141.87 41682575.95 87296229.87 20608192.02 9757620.92
Carvedilol
63599.50 104613.80 106130.50 2228324.17 4599733.68 206819.27 2252197.75 934016.93
CephalosporinC
43121.71 68108.18 76233.23 59618.35 14997722.90 19836754.18 89167.83 382679.62
Cerulenin
37344.96 608806.71 216624.10 1503627.63 913474.58 292808.34 503965.89 879533.83
Cetirizine
45338.01 18930.52 13528.03 227464.04 4188666.57 15646.91 100342.57 209363.00
chavicol
506356.82 6862806.98 6082158.93 5183963.28 1738406.92 8940755.26 2018203.22 2040298.87
Cholic acid
854405.49 15952154.29 7953847.92 18684651.17 27042878.19 14377959.18 12631597.48 16142881.20
Choline
200792.21 196845840.94 189436726.73 207095736.13 204169447.54 271069939.60 200632614.24 195554241.55
Cinnamaldehyde
684608.88 3757334.14 5246501.00 2877677.41 1004596.68 5231686.69 838712.17 757167.58
cis-5-Tetradecenoylcarnitine
348583.80 11610347.27 19196302.40 9361232.16 11344954.80 16865571.09 12366634.24 9034623.29
cis-dihomoaconitic acid
294047.45 734167738.99 752683997.52 586003524.23 985752057.35 778405455.08 571401501.65 623510998.21
cis-Tramadol
60601.50 33188404.61 87646.57 225919.37 70476.19 731388.83 4050059.83 4173994.58
Clindamycin
71713.20 120872.21 111193.20 118455.16 102140.37 104418.49 215069263.81 121801329.14
clomazone
71786.32 107756.39 61301.84 78141.73 27605267.22 66328226.77 338008.61 929759.44
Clopidol
48659.05 86091.75 313423.10 372851.92 57101.44 88821.79 235119.56 146091.54
Coniferylalcohol
351877.35 586629.69 4906336.02 3060680.07 1649321.00 2012629.67 1868490.91 2000440.37
Coniferylaldehyde
95144.05 223655.09 192684.56 298733.17 140072.35 174551.54 1340584.43 713293.27
Coumarin
164777.07 33363733.76 30701695.78 33720162.60 37627908.05 34935441.75 36155475.94 35559435.12
Coumarone
96954.24 199520761.53 186731124.00 207712939.66 234421021.55 214636705.68 220397663.35 216898665.69
Crotonic acid
206124.92 32372506.73 15343201.28 19355044.21 16456135.33 26166969.87 18620602.03 23973367.83
Cuminaldehyde
869826.91 159470195.68 203337519.05 98593486.42 28364839.46 217538647.79 34851830.20 35691656.06
cyclandelate
20424151.41 33431955.98 27421727.60 28187839.49 17909301.16 32070880.16 17942797.12 19730968.94
Cycloheptene
55757.98 105433.01 791367.62 108831.46 81153.30 452124.65 268929.01 126731.57
Cyclohexanethiol
35798.67 8310970.27 11096122.44 14085169.38 16695029.55 18166413.31 14410786.40 15650047.53
Cyclohexylamine
498960.45 5422267.59 4587423.16 5206530.87 5602142.14 4585812.71 5858887.45 3795644.41
Cytidine
67078.36 1498483.86 2305833.44 1840417.78 1488673.48 3644066.71 1251701.63 957886.94
Cytosine
93200.60 3471389.95 3359307.33 3140053.56 6093542.55 4548644.22 2528035.23 2660864.31
D-2-Amino-hexano-6-lactam
29047.47 2592831.96 3847574.93 3567979.29 2872337.23 4183240.31 3459425.49 3266491.81
dADP
56222.03 105972.56 73775.70 1373829.08 275625.07 1223434.53 823258.54 204141.84
D-Ala-D-Ala
34457.46 1840672.86 2841061.82 2108162.49 1761525.01 1790210.21 1737245.47 1964384.22
Dambonitol
272367.22 1589731.27 5767189.83 7146579.41 5314636.88 34690916.91 9350036.91 10936647.35
D-Apiitol
40045.43 982621.19 286194.24 582673.24 407740.11 476057.24 685891.73 113908.38
D-Carnitine
30986.02 185596870.47 338585139.38 241200949.72 325992193.65 382200781.91 203748227.15 211159565.59
Deacetylcefotaxime
51759.01 2157660.59 342867.30 1649748.39 194313.30 994614.93 2573817.34 877550.43
Decanoylcarnitine
59901.73 10331368.89 12441586.95 6438287.32 9913706.75 8347718.56 11213610.05 8087371.26
Deoxyguanidinoproclavaminic acid
27130.47 391947.29 282399.01 589363.45 401728.85 1302813.93 564329.36 609924.36
Dethiobiotin
51833.85 1314866.75 1730300.48 1772659.24 3957474.42 1658127.49 1918978.88 1653707.17
Dextromethorphan
76989.43 2849792.78 117255.78 3067076.35 103360.57 2169538.91 161435.85 1161574.07
Diaveridine
1467304.33 21499199.06 27180267.71 41475529.00 41540813.33 42080609.88 28407834.42 41475154.73
Dibenzoylmethane
150054.19 3560584.16 3226544.96 4192574.66 2260453.98 2868708.76 2787306.75 3489333.54
Dibenzylamine
148432.65 1681433.53 2657329.38 2539858.24 1327395.08 2304123.14 1930662.87 2075057.88
DICHLORODIFLUOROMETHANE
20837608.04 7209596.58 6543187.81 10209469.32 8144021.79 5264327.05 9523153.83 7592670.29
Dichloromethane
2136707.38 501462036.17 565880288.92 505482804.60 587897523.77 507454051.07 540190399.64 513952233.90
Dicyclohexylamine
1079456.52 62190331.44 34643314.18 50790375.98 66714889.20 33899409.21 54938530.28 55704626.29
Didecyldimethylammonium
642006.65 1694274.07 2826290.17 17654961.59 962389.57 1623281.82 39247196.90 1708206.86
Diethyl dibutylmalonate
2566669.19 3617854.36 5403854.74 3743419.59 4319383.70 3235106.30 2672263.48 3340654.33
dihomomethionine
45472.91 1833300.55 2055809.17 1721552.34 1874759.98 2546498.90 2249567.67 1847347.45
Dihydroclavaminic acid
72331.22 431175.12 296979.10 597525.42 995192.79 660077.72 644697.66 529086.40
Dihydrothymine
38689.35 4051590.61 6424940.43 5029133.49 5507539.86 4839080.27 6569960.47 5612556.61
DIHYDROURACIL
41933.19 4241643.38 4578249.37 4693149.40 6062904.09 5895319.00 4677316.95 4288533.89
Dihydrouridine
33168.05 870522.62 1514520.73 1657659.65 2128632.71 2642978.83 1355912.17 989763.16
Dihydroxycarbamazepine
158152.09 269163.71 250452.19 12784898.88 222553.08 232535.23 280005.23 6622947.95
Diisobutylphthalate
55031978.28 30254686.51 29614277.45 32105106.07 23296150.92 30055010.68 23831680.14 30736404.42
Diisopropylphosphate
51867.48 193741.05 577104.89 2842578.18 708158.44 3154076.67 1128772.00 2213621.75
Dinitrosopentamethylenetetramine
41937.43 675572.71 436210.89 992428.33 738598.56 541335.63 967157.94 1042115.63
Dioxohongdenafil
66965.57 166980.75 544827.63 1767756.60 593340.62 20030841.99 2483338.92 1982917.94
Diphenhydramine
74394.61 183189.95 127911.72 938905.02 100787.44 278619.02 3278297.70 1685854.12
DL-Atenolol
43585.00 89310.31 304980.39 594037.24 681212.02 296653.95 114316.29 175913.49
DL-Stachydrine
129931.70 553409781.87 119787347.31 473092957.45 531624525.43 169808972.10 247345299.40 458461945.71
DL-α-Aminocaprylic acid
63463.87 1198587.34 3607768.94 2128781.88 1607435.79 1064247.83 3920181.39 3029353.36
Dopamine
69997.68 16275505.23 114122.02 26477350.65 120086.61 191555.93 54835298.22 48077194.51
Dopamine3-O-sulfate
51250.84 161550.94 1413437.78 511969.37 1425296.25 213895.64 369725.85 397181.76
Doxylamine
93033.32 5629057.47 125373.11 3442782.29 121395.86 283614.73 593807.06 749252.04
Dubinidine
61760.53 121695.32 101207.97 94805.64 69592.25 109960.35 935891.49 180831.05
(E)-3,4,5-Trimethoxycinnamic acid
300065.40 4930116.04 17214682.82 15404431.93 14088767.00 7048395.73 7442294.16 8596043.66
Ecgonine
154502.42 72669628.68 133745750.11 76127001.76 92326459.36 161202613.21 75728500.01 82866304.16
Ecgonine methyl ester
49121.26 817613.82 1503817.96 1088630.99 2327365.54 2089000.57 1114134.96 1102295.02
Ectoine
45896.33 454288.42 726290.50 788961.21 626302.30 666707.55 1272971.63 1104247.46
Elaeokanine C
571128.29 1425122.37 1258143.16 756729.34 951487.90 1537099.63 1017860.88 711614.47
Eperisone
61754.01 92283.51 83024.31 367695.37 86554.84 74612.14 1041484.97 345305.40
Erucamide
48788471.07 17704501.85 21035125.74 55971554.33 54627403.26 20990498.87 28412066.19 45495037.87
Escitalopram
73897.23 121995.47 109725.83 3267263.62 98679.89 101369.52 128788.97 862809.80
ETHANOLAMINE PHOSPHATE
78821.13 14678525.93 15813983.30 13090399.07 12678250.05 11711305.82 14904739.36 14638240.10
Ethyl3-oxohexanoate
929805.55 877778.60 782392.60 1069597.04 801089.38 7660110.13 3031271.53 1084603.77
Ethyl ?-bromopropionate
21260.14 1435757.32 1441912.84 1218479.55 1648017.78 1590317.81 1122311.31 1382716.88
Ethyl palmitoleate
49276696.60 25323694.22 22334106.87 25734992.96 27195734.45 22863031.47 22127655.63 23212505.50
Etodolac
45788.53 119616.11 53030.01 71407.92 832727.04 623812.10 526905.27 239497.54
fenamidone
65981.33 111711.43 144223.95 181765.21 98840.06 801198.70 675921.38 307391.27
Ferulate
80345.76 3613705.35 222697064.43 3355829.69 5007144.73 2362032.53 4092742.56 10837519.89
Fluconazole
124377.07 225919.80 242307.45 207436.74 157995.01 135046584.25 24177168.11 16421546.39
Fluorene
137837.79 179684.35 329559.36 890558.29 94887.97 164426.75 299370.42 553196.52
Flurandrenolide
86805.06 951069.84 3549688.90 15404979.99 4863063.25 40234065.57 8605372.85 14247900.28
Fomepizole
34391.47 2708273.52 5750749.39 2477837.21 4251335.10 3622820.60 2156235.27 2259544.15
Furfural
44131.96 4008633.07 2417238.83 2921751.51 5600294.93 2695151.01 3150098.04 2973470.76
Gabapentin
346491.59 195626889.65 1351900.91 114731092.60 404609.59 68760808.34 524763384.38 417261874.92
gamma-Glu-gln
39554.14 2188008.89 1274087.31 3201231.30 4972354.90 2098641.58 3068006.50 3450147.91
gamma-Glutamyl-gamma-aminobutyraldehyde
116228.87 828240.31 676071.93 809098.76 596064.06 740599.26 1072664.89 592757.80
gamma-Glutamyl-gamma-aminobutyraye
49053.32 493031.69 593697.69 629180.47 1048725.04 1796290.81 763138.15 666627.11
GLUCONOLACTONE
36396.58 373141.86 148111.87 140322.52 201288.01 289777.25 370807.33 186469.42
Glu-Gly
46174.67 1339822.36 1071224.65 1352178.97 2890920.00 625860.43 1788270.30 1655908.53
glutaraldehyde
259830.78 614919.97 383740.66 1043438.74 1075687.70 1532901.02 1964429.23 1237311.07
GLUTARYLCARNITINE
42550.04 510458.43 1059072.68 988451.66 1686113.95 1388791.13 1048509.49 955030.47
glutathione disulfide
60185.12 269674.88 764916.00 2193126.67 556654.81 571852.12 2911432.08 1935602.60
Glycochenodeoxycholic acid
742213.41 22961033.68 8899163.72 24730942.49 46784598.39 16777891.18 20223387.75 24783002.29
Glycocholic acid
733867.04 10769901.19 5012412.19 13409692.28 67923213.87 15476765.25 25965749.85 19242260.09
Gly-Lys
45796.26 7897159.06 2218276.26 6622254.84 4380812.48 10753909.80 8707820.45 5835551.69
Gly-Pro(Glycylproline)
54938.18 7255943.36 11979026.45 10323621.90 13186879.83 10626762.79 8592442.67 10118431.11
guaietolin
53362.28 2015290.22 763260.44 1876462.31 2658812.38 1251581.99 1223164.17 1127447.54
Guanine
45382.15 67732.72 234477.55 884984.97 54908.28 93603.44 875667.22 614068.14
Guvacoline
51140.32 598129.14 400808.43 872219.59 479522.79 316395.35 482826.48 441010.86
Haplopine
51212.02 439433.52 490934.99 698252.54 386800.11 235604.21 940285.13 153502.74
Hexanoylcarnitine
60932.24 17377682.67 29585840.56 16756142.12 38183451.99 31852965.74 21271393.70 19036323.86
Hexanoylglycine
88985.26 555474.28 119471.21 204089.06 365989.79 173355.73 1121351.36 464018.90
hexobarbital
47200.69 237255.72 153978.75 417093.96 231307.09 475969.20 615597.85 483333.92
Hexylamine
316563.74 259912421.07 697352913.65 495875080.22 235596984.06 396650713.06 260400539.71 404558155.97
Hexylresorcinol
76293.76 139333.36 126524.45 159302.15 571108.67 7142279.86 731382.06 219843.55
Hippuric acid
229687.60 14275261.65 6862782.21 44303307.27 29707738.30 64572828.84 52880348.90 42401158.50
Homoarginine
19262.48 1456457.17 1450934.30 2085487.56 1202156.96 1333739.89 1882033.37 2055235.18
Homogentisic acid
47347.22 5149156.22 1339691.99 1533311.85 1176500.38 2574489.91 1711235.18 1546270.50
homomethionine
48378.35 6643583.31 4561538.98 2164708.22 5324187.86 3157661.52 3854144.95 3398997.54
Hordenine
110479.38 224168.60 132769.70 6623982.09 1729726.35 473224.68 1451252.12 2580828.40
hydralazine
43781.64 83798.53 76669.97 1414645.82 71489.97 758869.92 309308.54 242760.74
HYDROQUINONE
182770.90 733278.87 256372.08 324646.40 1444165.68 695947.56 357137.87 402297.56
Hydroxy bupropion
135508.37 513487.44 427297.48 404647.77 257259.99 666252.07 13559293.51 5543007.41
Hydroxyhexanoycarnitine
46660.68 827787.37 2221703.81 843194.19 2769869.83 1931250.32 892798.24 939316.92
hypaphorine
205800.24 16107124.11 61647235.05 34561318.09 12433542.36 37193434.35 49944339.97 43051728.09
Hypoxanthine
92126.18 19484884.75 36693150.94 62191299.58 18873660.49 18041635.13 55325807.72 67117284.71
Imafen
38001.61 469978.24 285153.34 784717.76 486384.39 334935.85 419233.03 535070.89
Imagabalin
80468.92 8754100.25 2745625.73 5367151.50 3643254.16 2486636.41 7714480.20 277169.07
Imidazol-5-yl-pyruvate
59285.40 517316.74 492941.76 291939.21 1573034.94 945238.83 461942.70 421003.31
Indane
603806.19 15079876.67 19434302.85 8782931.99 2676987.59 18995401.72 3959279.85 3754012.50
Indole-3-acetaldoxime
46740.26 1572566.85 2341380.77 1675023.76 1911206.94 2655896.53 944436.68 1244638.69
Indole-3-acetamide
141786.34 182512.35 165779.83 130978.83 3174361.87 8318761.10 3876465.03 1348442.67
Indole-3-acetic acid
147971.81 6490600.94 3795113.33 8988671.71 3373670.62 9616295.85 9210607.20 8044715.50
Indole-3-lactic acid
199298.20 4193816.40 4609741.02 3726742.35 6849789.91 6422570.33 5586528.66 3986430.07
Indole-5_6-quinone
221877.26 2428903.76 1608155.42 2206451.58 940494.77 3672009.78 1332819.33 1980876.95
INDOLEACETALDEHYDE
35167.18 1161297.48 1071903.26 2727826.39 251026.74 629386.47 7885701.18 4107708.79
Indoline
53308.46 1878660701.29 1244968889.50 1442395434.43 1739570842.75 1499547730.91 1220290341.80 1370460720.33
Indolylmethylthiohydroximate
47716.29 2836417.80 1324643.53 1666554.69 1501713.45 2086321.59 929309.54 879789.91
Inosine
116832.33 3640286.88 6617462.25 12708273.96 3080392.16 3153419.98 11356370.06 12297926.97
intercept
1119571.38 12000464.03 17940566.66 9571130.54 3110210.20 15253585.73 2940133.84 2830668.53
Iohexol
54726.74 112918.19 1334972.58 296848.47 77771.79 804211.18 1490674.83 2694501.12
Isoamyl cyanide
64824.00 224773.57 127766.17 751635.31 97561.36 117513.24 263720.05 142541.27
Isococculidine
47249.65 238101.20 78027.81 717069.31 336617.47 159201.92 328736.24 339407.34
Isoniazid pyruvate
149866.29 1261314.74 225218.88 244102.80 206141.54 529706.05 3490052.74 1000548.33
Kanosamine
42593.68 1188364.01 858838.55 672030.63 1097311.25 1131726.87 888483.26 713180.54
Ketamine
90779.15 134132.58 138409.24 184514.93 42435238.76 225331018.63 538904.96 1518364.48
Lactamide
55478.41 2474689.55 3569413.86 2275031.38 3504666.22 3793803.90 2101790.13 2295733.21
L-alpha-lysophosphatidylcholine
411188.93 18785593.72 15978952.44 24838611.36 12643339.29 21225358.89 24750909.97 23964851.63
Lamotrigine
68962.92 140818.09 113010.64 14740279.30 107572.91 47500499.93 143104.70 8021681.84
L-Arginine
138807.78 5057497.34 8518037.90 8314796.38 4864121.43 10221254.17 8904616.61 8356112.38
L-Ascorbate 6-phosphate
31948.99 588211.51 198806.85 182572.92 193201.51 368201.06 590229.00 338595.62
Laudanosine
70225.29 121643.94 111521.19 101536.79 83031.22 84668643.07 167575.21 6424434.23
Lauramide
5056094.18 15319502.52 9506946.40 7416716.76 3589331.23 10198986.02 4027266.48 4702926.40
LAUROYLCARNITINE
222395.21 8735766.06 12932313.81 6419651.58 7555018.55 8764690.99 11875290.92 7516761.93
L-Carnitinamide
50859.40 4444943.27 3755345.99 4921691.80 4040390.35 4727707.20 5786210.55 4995578.27
L-Citrulline
99629.05 6896526.17 9168329.56 13069145.58 10400295.83 12780493.16 13841441.82 13854460.81
L-Cystine
32054.75 1651863.62 989189.59 1082393.29 1530901.04 1532137.64 1676808.41 901845.54
Leu-Val
33653.82 191485.40 199178.18 308396.13 159754.50 297152.98 623331.02 322628.21
Levetiracetam
355348.14 119387162.29 1062868.85 121100188.29 585106.19 1838495.05 245494591.18 355262429.98
L-Formylkynurenine
45407.18 1860813.59 1355859.78 3950546.44 1846188.36 3515600.12 3274732.46 5414544.19
L-gamma-Glutamyl-L-leucine
54207.06 13232402.97 13134925.82 15415974.72 27729336.43 16778116.44 13467406.77 14919616.31
L-Glutamic acid
154085.94 29584948.66 27466203.02 38270966.60 46797458.74 39847923.12 32468507.55 35558369.69
L-Glutamine
400668.84 68688592.51 101131561.52 81922883.45 80574101.50 80334954.73 76317164.08 76725562.13
L-Histidine
32259.14 2588462.13 914479.85 1798695.37 472400.90 1553706.11 1191865.19 1173265.72
L-Homocitrulline
36023.91 772346.76 1754758.23 1169522.73 1811063.14 2550484.17 997739.08 1079694.07
L-Homocysteic acid
72581.45 13659776.65 8340775.10 11519300.68 14807097.91 8243145.32 12579315.46 12075442.76
L-Homocystine
43896.54 9073842.28 4142941.82 5211068.25 3273518.91 6644987.20 3045385.70 3060863.11
L-Hypoglycin
78209.69 9078853.21 9059182.51 7895400.90 16814214.75 22384319.73 11525814.91 10361612.65
Lidocaine
72358.95 3227520.30 147333581.66 14413703.50 2441694.59 5121793.48 12564728.95 13907528.90
Limonene-1_2-diol
580220.27 1214432.34 4718324.14 3661610.94 1551437.02 2361283.58 1529098.17 2364136.66
L-Indospicine
34340.78 1519959.59 367602.66 750823.33 1918447.56 1481239.31 1225607.64 1113784.57
Linezolid
132166.34 232625.18 202701.15 234686.21 42398947.72 187633.51 234896.94 1403852.21
Linoleyl carnitine
151749.77 6889096.77 10107681.49 9184620.27 4999362.42 7481364.53 4980984.61 7228664.90
L-Isoleucine
106143.97 149252677.64 143285058.65 140340821.42 174400157.88 70171872.90 260896112.21 158909007.46
L-Lysine
72513.07 3369085.23 4169494.24 4709575.17 4640135.85 5221256.42 4661964.10 4576380.43
L-Methionine
29004.13 47526029.14 43365264.16 60342528.30 76103335.67 64876311.66 65530847.25 63148575.74
L-MethionineS-oxide
340812.72 17442955.40 14269027.74 17039609.35 14076679.42 18396280.79 15171845.58 14940060.61
L-Octanoylcarnitine
79011.44 54229170.09 67395879.49 36942028.32 77031058.58 50062036.51 62139827.85 47642004.48
Lotaustralin
40564.52 4663156.85 5380217.10 5435377.26 14952731.19 8737776.38 4421949.00 5721799.47
L-Phenylalanine
38723.82 847394.80 1348998.41 1270646.42 1218825.18 1630633.79 1197117.77 1054520.08
L-Proline
61977.28 3427066.35 4877294.37 6015231.18 6487557.72 9780101.46 10174733.59 7273455.82
L-Pyroglutamic acid
334396.68 31047442.62 30443614.98 42758708.70 43325986.67 32757824.25 41648520.59 42297986.52
L-Rhamnose
94243.31 3003315.65 3972258.10 2340789.11 1404593.67 4988151.77 1105586.83 1096843.03
L-Threonine
31982.26 2266993.87 1745173.15 2652440.27 2964942.33 6506446.13 2843243.47 2361401.56
L-Tryptophan
302866.61 1598786983.14 1273774912.95 1636591084.29 1836298730.50 1304566593.53 1833643822.11 1775287921.80
L-Tyrosine
34741.83 814103632.84 758731454.48 841695606.76 973262851.80 860299368.86 875036047.13 876968395.09
L-Tyrosine methyl ester
42809.15 8529488.81 6735669.49 7410908.64 10226393.31 7452815.58 7360121.94 7577407.33
Maltitol
122833.13 107421.19 349527.82 690451.77 1307055.19 81618.66 517127.66 170283.69
Mannitol
58073.79 444818.08 488338.84 597090.01 1286707.98 848967.79 893757.81 537585.41
Maraniol
3220596.29 1837801.71 1589412.86 2268063.69 1551766.78 1884914.99 1383393.01 2031988.51
(-)-Medicarpin
46970.61 3910801.67 2738039.51 1507048.13 2400751.74 3481522.60 1571478.36 1419763.79
Melatonin
35305.10 2065930.11 3422876.59 3211230.77 3605190.14 1622929.72 4375568.79 3887766.49
meso-Tartaric acid
51833.19 743726.25 1105869.62 979521.70 343236.37 644714.70 923026.64 891609.80
Metalaxyl
54453.83 5811637.15 7402466.22 5629232.50 1753247.03 11712282.70 8992388.92 8113471.71
Metamiton
41280.17 54151.44 51245.10 1328354.85 60930.32 3559939.66 335735.40 474602.58
Metazachlor OXA
41793.07 434064.55 81549.12 200371.77 652770.69 219292.85 504111.93 238532.49
Metformin
28099.18 21521241.18 1178955.53 3148398.43 69672.87 503165.92 7213156.39 7515015.17
Methadone
48812.21 80412.65 76122.33 73859.79 10731242.72 82568.58 127352.37 314480.09
metharbital
97858.22 2551429.99 1792209.01 2892661.43 2553007.85 3318783.54 2048643.14 1802021.59
Methohexital
54124.46 1727072.85 2247207.04 2879104.42 2051989.96 3670882.25 2372277.62 2431078.90
methyl 3,4,5-trihydroxycyclohex-1-ene-1-carboxylate
56272.51 1639972.07 2260592.97 4140239.36 1385081.42 5930834.68 5199431.00 3697641.52
Methyl 6-isopropyl-2-oxooctahydro-2H-cyclohepta[b]furan-3-ca...
3443992.16 1596560.39 1604847.93 1904700.53 1725291.81 2161834.89 1720771.05 1461937.85
Methyl alpha-aspartylphenylalaninate
58355.20 10883052.68 6371968.62 7590586.51 13292310.31 7202839.57 6362119.05 7028692.24
Methylimidazoleacetic acid
39724.55 187451.11 369550.11 1787887.68 986088.87 734905.64 3195742.72 2666223.67
Methyl isonicotinate
29942.78 6874330.51 4075181.99 11225437.85 2193897.49 1199619.14 10101498.32 10511636.90
Methyl N-acetylglycylglycylglycinate
32853.83 1305018.88 2148639.26 2539115.68 5042761.41 4398779.51 1611353.16 1826306.10
Methyl N-(tert-butoxycarbonyl)-L-leucinate
79586.43 29142699.96 33525622.87 34831320.48 58782238.25 77524617.87 29551750.67 29965182.55
Metoprolol
58855.99 7415776.04 2696916.36 5751660.07 978095.51 140215.11 9954659.16 7408573.07
Metronidazole
53554.10 312239.17 187073.29 74980376.96 301694.67 123250.56 146540080.01 190800001.69
Metronidazole-OH
48228.92 5862385.67 123522.90 15889437.10 3506251.00 1447581.46 66831584.20 47699933.28
met-thr
39670.29 611099.83 358141.74 1788323.33 948901.53 1355891.01 2426751.01 2218862.93
Mirtazapine
87758.73 131174.21 22155182.21 465768.70 45461825.19 698347.57 1292444.99 2428773.19
Monoolein
1301767.60 7547375.68 7868656.56 9649799.70 2843116.14 7324439.32 1924416.33 4822952.37
Morphine
50781.97 210170.39 627693.44 345132.40 872585.07 608907.12 640077.25 337241.34
Morphine-3-glucuronide
45822.25 70504.46 67515.18 64999.58 21879877.89 10674637.56 909884.82 853157.95
Moxisylyte
43527.30 103910.68 50733.20 97191.13 58379.27 61135.19 605706.75 216798.42
Myristamide
5730775.54 11338221.06 4262314.67 3771344.49 2955047.37 4117883.29 2365668.15 3054891.35
N1-Acetylspermidine
20218.25 1800735.12 2404297.57 1257187.65 2055456.65 1783161.70 1397278.61 1304840.59
N1-Methyl-2-pyridone-5-carboxamide
135299.20 76183519.51 124176611.20 86248267.03 157792235.60 196721975.45 90338229.95 93206192.95
N2-Acetyl-L-aminoadipate
348224.20 5813438.48 304658.40 14952181.97 357899.24 339339.51 1987539.75 540236.34
N2-Acetyl-L-lysine
28632.37 2610597.92 2327496.56 2102337.60 5752481.35 2216516.58 2650483.53 2358729.70
N2-(D-1-Carboxyethyl)-L-lysine
43214.19 6510925.91 10326801.74 9891716.38 11216935.19 7030932.69 12603087.33 11328643.14
N2-Dimethylguanosine
45254.77 5711585.55 3810991.76 3258729.24 5230892.03 5167901.79 4029230.97 3352918.60
N-(2-Hydroxyethyl)heptadecanamide
102308.36 10958064.57 6154075.54 2341880.93 84847.73 2090169.63 2514146.63 3721222.35
N-[(2S)-2-Hydroxypropanoyl]methionine
36037.18 8150270.35 9922072.24 5729168.69 9118527.22 6339936.44 4932634.84 5006675.15
N3,N4-Dimethyl-L-arginine
26557.33 6589002.00 8727391.67 7027634.42 9469070.12 9530659.11 7179916.26 7015326.61
N4-Acetylcytidine
34865.46 1482125.54 2163563.03 1416504.92 3837103.58 2844683.25 1705478.11 1639975.77
N4-Acetylsulfamethoxazole
242408.24 467089.88 413589.66 50985556.28 395329.16 126917934.80 63469573.95 64613329.65
N5-(L-1-Carboxyethyl)-L-ornithine
37582.58 11166459.53 12857106.35 13997882.87 15108480.02 8626967.42 14454230.74 15214181.20
N6-Acetyl-L-lysine
27855.43 1650270.01 1968474.02 2022597.38 2464541.45 3138840.24 1864986.23 1777922.59
N6-Acetyl-N6-hydroxy-L-lysine
58781.06 38857.82 45248.71 845903.93 39483.78 157486.62 1127975.87 481229.14
N-(6-Aminohexanoyl)-6-aminohexanoate
56549.54 882291.37 11605322.03 1268868.52 1228196.63 2734343.48 579995.49 1311674.13
N6,N6,N6-Trimethyl-L-lysine
19071.94 2393693.50 3241004.16 2565768.42 3846443.02 6336110.69 3118976.24 2951114.03
N-ACETYLASPARAGINE
35757.97 486345.87 695527.14 1335651.40 2003061.43 2892553.28 1026581.85 993024.52
N-Acetyl-L-citrulline
43368.17 346624.35 119818.76 465608.46 266459.23 520674.12 456208.80 336422.13
N-Acetylleucylleucine
28424.48 55993403.55 10423813.18 45205275.26 73058586.37 7048880.20 18565880.26 31338653.36
N-Acetyl-L-glutamate5-semialdehyde
104549.54 17766259.51 26643710.97 34293248.47 59772982.21 22290274.65 40560797.49 44389761.31
N-Acetyl-L-glutamicacid
155207.53 223270.93 315215.30 1473632.78 268400.96 4732266.63 1089732.62 1089429.84
N-Acetyl-L-histidine
29512.06 172531.67 354856.81 325380.01 262329.02 376982.29 265479.64 216176.22
N-Acetylornithine
33497.00 4147749.38 3792873.67 3956972.86 3107944.03 3266862.22 3850814.47 3603781.13
N-Acetylserotonin
79649.36 4426571.92 3224106.29 3904408.36 5659353.00 2651647.58 4163433.58 4394389.83
N-ACETYL ZONISAMIDE
126451.36 217084.00 289492.54 190423.41 147860.48 211159.79 1467412.65 291115.71
N-alpha-Acetylarginine
55669.28 12039326.93 13944150.51 14418723.47 38575038.95 21970787.56 11786139.77 14647934.05
N(alpha)-Benzyloxycarbonyl-L-leucine
55338.52 764199.12 676277.61 924965.87 1018970.65 1956427.26 1358150.07 1063529.66
N-Benzylformamide
61643.76 5381498.55 5958015.35 4173131.05 6208723.30 5446889.41 3079743.28 3335033.28
N-Butyryl-L-homoserinelactone
40528.61 633831.57 681644.47 402433.43 2782274.02 645829.70 500739.14 570640.61
NDA
93511.18 2773377.90 3964017.75 3157168.03 2448947.23 5742282.47 3278456.56 2624315.08
N-Desmethylvenlafaxine
142204.56 243077.86 214218.05 453993.97 190542.66 196839.73 4801639.95 2579607.63
N-D-Glucosylarylamine
45213.44 480454.13 623754.60 649083.16 765060.21 1836443.37 682998.95 550321.94
n-Hexanamide
54465.20 395549.72 961274.82 802324.28 815568.07 1052824.09 1197312.54 757199.68
Nicotianamine
75853.26 813735.30 903688.45 1191450.79 2595710.74 5481927.35 1451320.11 1282432.77
Nicotinuric acid
58796.11 1041720.74 1731813.37 1653389.88 2662867.10 3451080.81 2899285.51 1805308.35
N-(indol-3-ylacetyl)glutamine
79752.89 235478.80 126990.00 374114.62 95986.51 302518.94 944832.65 261273.74
Nisoxetine
72886.70 113196.56 108088.53 223290.66 144666.67 176242.82 603997.29 185797.07
Nithiazide
79945.36 3189296.38 2632490.35 2333996.66 3866304.41 2992705.82 2593213.37 2678730.98
Nitrosoheptamethyleneimine
35669.63 3246748.40 1130306.67 1278745.02 1108661.53 902422.38 1958842.18 1669801.22
N-Methyl-2-pyrrolidone
1363272.01 1166902769.63 735291776.51 983693237.68 1142784175.76 754488709.23 1078760888.54 1138481896.27
N-Methylanhalonine
48722.15 2641588.70 305720.85 807226.01 682238.24 1193506.12 918905.23 817723.10
N,N-Diisopropylethylamine (DIPEA)
61858.82 5563244.91 7771890.83 6894373.24 7099084.71 5778065.01 6037376.61 5955132.55
N,N^-Diphenylguanidine
59150.99 18851258.29 15208589.19 40443403.71 14851381.25 32047718.71 19376048.43 20208774.71
N-Nitrosoguvacoline
37782.59 699234.65 3062365.65 1621300.30 2091931.70 3843545.68 2392183.04 1775032.31
Noradrenaline
115464.51 6681841.93 199433.52 10364536.62 254790.08 215974.36 2098784.49 870266.18
Norketamine
165827.36 298048.78 283973.10 256853.44 18269921.86 73528493.99 977280.97 869246.44
N-palmitoylserinol
114051.15 1508367.57 780760.22 365618.35 62585.33 300093.33 475426.45 465095.40
N-Propyldodecanamide
1174211.15 1827845.99 847735.93 687220.27 534025.56 868516.11 449917.47 520603.33
n-Ribosylhistidine
57209.45 880788.31 1095051.62 1033932.11 3038119.56 4712626.52 1407828.61 1115641.42
N-Undecanoylglycine
9662227.01 25146752.98 22985490.05 22730280.47 25904475.33 34686096.08 24560857.90 22597718.79
O-3-methylglutarylcarnitine
45822.33 10715717.77 9077575.58 6322362.49 20468457.18 16198986.03 4647756.78 5625396.18
O-(4,8-dimethylnonanoyl)carnitine
74187.76 439412.30 648542.30 471600.43 586771.88 517944.86 721641.10 496312.10
Octadecanoic acid
2248702.31 859890.48 646519.40 3248964.32 813714.79 779430.59 665269.88 3594873.05
Oleamide
1169048.84 1251168.42 1297056.10 1960354.74 1026905.72 1677030.35 391294.14 625968.90
OLEOYL-GLYCEROL
4132130.69 3799730.13 5031246.16 4889549.66 2178970.34 4650258.12 1852805.72 2699599.55
Olomoucine
2976977.58 13199567.82 11344374.98 11769442.11 4801196.96 12949843.94 5508828.05 6343825.33
Omeprazole sulphone
63535.21 1817602.06 90179.02 1188854.35 92850.96 81437.75 466894.46 569953.34
Ondansetron
69786.64 2630909.20 3359935.35 2369831.42 32774310.42 2197001.42 2160572.51 3306467.19
OPHTHALMATE
50028.78 515001.79 542533.61 1016292.67 3626244.55 7567436.85 2360368.89 1507796.03
ornithinoalanine
182004.07 23722344.41 21123343.87 27332380.29 26279783.88 32160709.40 33496245.28 30346489.52
Orthophosphate
118885.04 288325625.39 336777753.98 356154967.21 363622947.27 453930366.41 302742578.69 351020727.09
Oxepanone
253765.99 453585.01 230810.18 242921.96 1952859.13 431383.83 329792.83 306794.30
Oxido(dioxo)vanadium
11286155.29 85657752.65 97739173.18 94325658.25 73505129.87 100931402.96 70006027.40 83418296.95
Oxohongdenafil
64166.08 465994.52 1517128.94 6492453.10 2156373.10 19591029.08 3678937.44 5242314.90
Oxycodone
56882.22 159990.81 3920387.05 415669.41 259404.91 1171402.34 2323161.36 1207131.16
Palmitoleic Acid
634241.44 25634387.24 10177562.06 14009664.85 18187180.13 14367419.28 16718132.36 17776937.60
Palmitoylcarnitine
152465.35 2526821.49 3511147.67 4248014.93 2969186.22 2983181.37 2667506.14 2965444.48
Pantothenicacid(VitaminB5)
96331.28 6274164.14 11222044.93 6092634.85 7094192.09 11673988.51 7627961.11 6718337.93
Paracetamol
144441.95 234713179.18 323566783.88 311815935.62 313268751.58 147504669.42 130433759.85 227565288.07
p-dimethylinamyl benzoate
47907.11 2269806.20 63540.53 60999.57 52744.85 73069.27 283438.46 172459.60
PEG-4
8164304.07 45717809.79 60409137.13 70600770.26 53546340.48 62043370.29 52200488.93 72479547.12
PEG n5
2040639.88 29842888.68 36264246.24 58216794.47 60300326.45 53561847.65 37334757.95 55014012.50
PEG n6
657479.21 11262062.43 16840984.24 50548091.33 24773888.40 51884313.15 26735306.75 46510749.56
PEG n7
411088.40 5854153.80 18294085.20 68013364.75 20388500.22 100647615.71 30964006.37 64459016.57
PEG n8
394813.56 3496556.25 15530089.81 65635319.95 16046191.38 118882014.83 28315101.89 53646046.26
Phenazone
90396.30 161740.85 138972.99 933698.23 102311.38 128317.00 149278.21 625541.89
Phenol
156992.59 182026549.97 170130722.43 189326410.26 213246021.55 195671133.55 200890253.66 197933009.07
Phenylacetaldehyde
1404964.18 2589051.63 2357389.46 2632741.11 2963261.59 2709271.97 2976130.55 2924316.23
Phenylglyoxylic acid
54722.10 116492.28 219925.20 749242.28 74817.36 1114460.82 587099.70 418179.11
Phenylisocyanate
55018.23 1870420.51 1127616.92 1436420.47 971172.43 1567240.08 2447294.84 1200813.04
Phenylpyruvate
264474.99 1098776478.56 1022808609.80 1135002486.66 1306240812.92 1161589863.23 1200685046.07 1184179452.05
Phthalic anhydride
25249340.81 12792620.84 13728695.66 15633693.86 11670039.21 13721722.49 11097303.48 13451634.49
Phylloquinone
685529.72 1472467.22 599434.44 1142585.18 1083178.70 1133069.56 2324165.67 1153831.47
Pimilprost
8861176.10 51673283.49 61052669.88 43593371.10 23178672.09 63998541.16 19485771.44 22258136.63
Pipecolinic acid
60806.21 65074218.30 72379865.95 85570514.94 57457475.42 70341363.62 80618592.38 93705184.92
Piperideine
38400.11 7663189.72 8498787.23 9412353.93 20376617.38 18652484.01 11244115.68 10910701.82
Piperidine
67214.70 1642530.56 1741640.42 2114089.79 33356800.52 6575261.71 3138687.74 2710534.62
Piperine
261789.03 167637.90 146209.50 1089334.50 153077.21 205061.22 293941.85 683150.60
Pitavastatin
83657.61 188913.58 1563552.77 2318249.07 180803.61 43516126.21 982536.19 4976900.05
Porphobilinogen
67609.46 883653.42 819422.83 790970.92 843906.24 1766490.41 1325878.40 854576.07
Porphyrin
43115.47 2944976.81 2468339.18 2997698.60 3841031.57 2671430.35 3088215.62 3166376.99
Precocene II
1243393.64 11359527.16 10200712.44 11348555.72 2820874.35 15558017.39 2631603.72 4070053.53
Prolylleucine
47992.97 88805672.96 107762105.73 83776323.21 173439078.56 197227673.01 77476214.70 80310195.22
Promethazine sulfoxide
76090.32 151401.44 1612305.54 114311.00 103131.18 552522.72 2835902.38 806228.54
pronetalol
45289.16 4906903.07 6943239.41 5739674.54 11171652.11 14678381.80 4576752.82 4948700.56
Propionylcarnitine
44285.93 71806864.09 133209992.65 77558980.83 90851947.05 160621613.56 69904903.02 80473972.65
Pulcherriminic acid
144615.64 6024330.85 1421386.18 1576442.91 2910976.16 1671145.69 5487701.68 3108100.22
Pyridoxamine
49083.90 1102691.95 2886421.96 2591601.98 2844975.01 3833025.96 3379909.83 2698118.00
Pyroglutamic Acid
63807.86 11655005.08 2669737.53 5409144.77 1993280.56 4583199.87 9950501.81 8031809.90
Pyrrolidine
62410.23 94301922.53 98802615.45 103476868.79 134172238.67 133314258.60 98497358.54 102795841.65
Pyrrolidine, 1-oleoyl-
1142492.06 458322.68 442205.36 1094184.40 510212.99 577614.90 430466.85 672837.78
Quinic acid
27617.91 1501092.68 1912381.02 1278854.54 1789021.15 2023981.32 1595051.95 1395994.38
quinidinone
221846.56 131039.73 127834.78 2407153.94 131723.91 129993.89 119471.19 1267493.29
Quinoline
60236.77 7286778.29 6641810.84 8075099.56 8734497.37 7098893.08 8294497.61 8098049.46
(R)-3-hydroxybutyrylcarnitine
44845.47 7109990.19 17706245.38 5344040.46 17990095.79 12760368.95 7287303.91 6781532.88
(R)-Coclaurine
44274.21 96244.39 63298.28 69414.12 6230452.50 2995012.47 246493.71 330175.42
Retinol
64522.88 187806.13 815110.10 472895.53 217403.83 282380.29 987068.28 1061202.78
Ropivacaine
78974.82 127771.07 115874.62 102233.29 81261.25 102467.89 7372997.59 2828608.91
(S)-4-Amino-5-oxopentanoate
122227.51 2306590.61 2848843.40 2583109.65 4768760.45 4577541.45 5868173.09 4526687.48
S-(5-histidyl)cysteine sulfoxide
55642.60 120353.57 340690.48 1062253.44 435758.18 2593912.48 607834.07 827607.57
S-ADENOSYLHOMOCYSTEINE
67965.76 2193889.35 3006046.66 1947409.54 2651298.41 3138967.49 2397971.20 2079929.33
Salsolinol
54799.72 35345486.34 19618140.12 21554187.70 32152675.20 20382930.48 18635657.98 21780280.18
SEROTONIN
76566.73 205263.00 200721.14 217974.51 244332.31 208242.01 11958105.40 4388295.87
Shikimate
26468.93 1079869.51 1120691.24 1034318.50 2102487.88 1921860.73 1271854.53 1216408.72
Sinapylalcohol
1169716.09 3384075.72 3839094.02 4806125.87 3395293.28 4426032.78 3934143.82 4578403.00
S-Methyl-1-thio-D-glycerate
80504.14 174466.61 261814.42 185949.32 109186.55 221938.61 457679.98 295036.82
sn-glycero-3-Phosphocholine
32817.81 8321279.18 3014200.48 5553044.66 2184322.71 4389231.91 4243537.79 4387670.86
Spermine
19151.26 1062072.94 784358.32 2853584.44 772932.26 1986090.20 1235281.25 1263781.88
S-Phenyl-D-cysteine
50933.10 690941.44 140261.39 140232.24 66293.26 75034.46 1075171.33 417607.70
Sphingosine
230548.37 19219079.54 14870168.27 5642429.72 3236852.63 6213876.69 4944458.10 7138607.96
Spiroxamine
133118.58 488038.97 1504259.75 505983.79 367555.59 1406174.21 335351.76 374580.11
Succinic anhydride
50530.26 1205666.55 1099668.57 1672778.30 1236435.43 2500434.62 1350886.96 1301809.17
Sulfafurazole
47390.30 1549382.24 56725.72 286066.90 106229.64 68942.63 182324.34 141855.67
Sulfamethoxazole
295946.92 650103.13 558994.40 228401320.92 383889.71 628023051.94 256510408.56 379380589.78
Sulfonylbismethane
49639.53 7971927.22 24561676.14 7879864.74 7182848.62 4890144.04 14506222.88 12444267.59
Sulforaphane
53931.18 562845.62 1274636.24 1367689.78 733083.96 853242.66 748915.07 1075982.22
Talampanel
49806.20 95208.37 81708.98 71522.27 15902619.48 93755.39 86833.72 412493.63
Talampicillin
56680.17 122769.53 77983.63 107271.94 9014342.53 5190506.21 446944.34 244064.69
Taurohyocholate
202699.37 2207127.63 3493652.96 1902458.41 2998809.51 3709475.93 3339728.93 2559336.12
Tazobactam
225371.31 661927.96 665364.04 6821301.56 616275.01 1322901.13 1214345.72 1961571.29
Tetraacetylethylenediamine
36798.60 3124734.18 9541683.79 5455890.57 18759519.76 18122848.26 12296305.50 7945489.07
Tetralin
121003.56 234292.22 168437.66 173964.10 159035.74 179658.69 749390.82 260398.66
Theobromine
61189.65 15892643.37 27691011.50 38409847.79 1476300.53 3885053.69 27919335.95 28768658.23
Theophylline
59785.58 8156918.69 1842296.02 42590288.27 1761357.27 10259995.89 42004377.23 42913469.88
THTA
75251.09 24717772.77 18511258.59 8661219.19 21238521.73 12695693.89 15173925.85 14277185.26
Tolperisone
71637.04 118062.47 116750.19 1386403.81 100087.46 100418.44 2002742.67 828832.36
tranexamic acid
102264.55 288366.94 264952.57 362998.83 171361.06 505484.10 796638.91 339715.50
trans-2-Dodecenoylcarnitine
208389.94 7346087.25 13944378.13 6472083.79 11135743.73 9923944.31 9150444.39 6173333.09
trans-3-Indoleacrylic acid
221007.53 1592116546.71 1267979474.70 1631007741.68 1828791383.25 1298220714.06 1823455213.54 1767007888.80
(-)-trans-Carveol
103191.75 599350.15 612312.03 1064511.06 295890.58 241315.87 722348.92 621333.00
Trans-Cinnamicacid
194214.95 3027376540.29 2008504526.75 2324865367.54 2861946974.00 2561735377.40 1965214767.63 2219632566.47
Triethylene glycol
2204526.32 26912613.90 39054114.73 42289452.16 30858244.38 36200672.42 34334231.43 46509290.18
Triisopropanolamine
34792.76 81849043.42 67976828.47 97235859.35 54752771.34 97415510.62 75395841.23 49451070.03
Trilostane
60307.18 117716.85 201536.65 274391.12 90554.99 221411.37 611822.76 253614.61
trimethadione
84843.85 1479347.54 2833092.41 1687749.82 7569346.01 4544378.74 1046102.71 1075742.75
Trimethoprim
55136.03 223313.82 87418.57 61860402.81 110927.34 128992202.91 39179143.18 63960296.85
TrimethylamineN-oxide
39207.53 18881625.90 14419818.35 22211062.81 20994843.56 13271577.58 29887859.51 30422930.17
Trimethylsilyl N,O-bis(trimethylsilyl)serinate
191022.63 119342.85 108248.19 2947618.32 135390.27 117774.36 109832.45 1769572.93
Triphenylphosphine oxide
1826608.73 1407957.93 1299560.55 1647696.22 1495143.97 1393923.00 1503082.42 1392890.96
Tris(hydroxymethyl)aminomethane
73494.71 9133080.45 11539461.96 10008676.61 10547315.64 15364313.38 10785661.05 10401184.24
Trp-Phe
59481.44 109624.34 631765.70 408404.10 770551.29 395399.51 1222951.72 815772.12
tyramine sulfate
83785.56 595621.67 211803.58 275015.99 186869.57 2789438.59 619682.04 413974.26
Uracil
53677.63 17194120.24 18697522.52 20737898.87 16436265.74 19028227.98 22553062.22 21855095.97
Uramil
86399.28 225106.77 167233.77 321670.88 217156.13 184567.56 1214958.84 607281.83
Uric acid
103475.21 282718777.11 351170483.40 258212478.84 347531980.02 223882819.80 371187518.55 296799605.95
Uridine
84134.81 5622678.86 7180337.14 7748629.51 4967605.49 7222495.29 8961729.03 8060429.96
Valclavam
52873.77 246761.98 304264.43 232463.54 491507.69 349227.31 795283.44 441998.77
Valine
1137359.88 155331589.86 166726845.18 169305167.47 226971428.11 224058554.56 160409150.55 161971611.97
Valylvaline
44023.38 582071.64 429097.04 858766.43 647877.42 1210749.81 1086316.80 772041.87
Venlafaxine
147909.72 272599.22 234211.76 10864204.97 221600.82 225071.87 25106180.58 13322540.30
Veronal
49519.94 708397.82 817996.73 991966.34 789725.20 1652264.72 1422852.09 1239908.95
Vestitol
34422.89 76875.15 69066.82 105648.79 76351.43 94071.60 280873.99 113725.41
Xanthine
42630.79 25482162.55 30769347.59 37613502.47 58460535.90 40099135.33 18645418.17 29791827.02
Xanthohumol
347328.65 787176.87 4263013.39 5938066.54 790701.69 90086489.23 1955383.48 9408933.19
Zalcitabine
35830.38 1417739.53 3701698.18 2733041.75 1182401.88 2616318.35 2310118.35 1980560.61
Zearalenone
1257002.03 1433440.74 2400057.40 780280.67 14397830.28 33285341.40 4027120.10 2151786.69
(Z)-Thiamethoxam
95928.39 185218.91 108117.21 139266.69 5854748.47 1657581.40 618842.51 542463.18
α-Aspartylphenylalanine
79625.29 953820.16 1240915.80 921802.46 1824782.24 2421531.63 1241277.01 1012513.55
γ-Linolenic acid ethyl ester
2738388.20 10027603.75 10656438.27 42124322.10 5412222.41 11938169.48 5935964.50 21153007.21

Factors:

F1group:-
F2group:COVID_before_ventilator
F3group:COVID_ICU-no vent
F4group:COVID_non-acute
F5group:COVID_undecided
F6group:COVID_ventilator
F7group:Healthy
F8group:QC
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