Data for ST001746   

(Analysis AN002842): Average values per metabolite and experimental factor (Units:peak area)

Metabolite structureAll dataF1F2F3F4F5F6F7F8
10-HDA
31070594.09 47956965.37 13337072.85 16615664.88 10979432.32 18650240.12 13592512.67 13200857.62
10-Nitrolinoleic acid
12200753.99 10712066.73 14329837.32 14090160.24 8567988.74 13744943.61 12940022.73 12689566.52
11,12-Epoxyeicosatrienoic acid
2636695.47 5263995.11 119234527.69 1732236.26 8079045.08 1669539.49 1126818.58 12382890.28
11-Aminoundecanoic acid
19192280.40 13016041.85 15245532.85 18549569.05 13791208.50 18766634.34 19659858.58 15691475.55
11-nor-9-carboxy-Delta(9)-tetrahydrocannabinol
167155.23 781836.22 573183.41 701166.77 1441811.32 1200345.22 1125624.46 1978275.97
12,13-DiHODE
75881081.18 171517742.62 70062934.29 131475897.36 91185560.32 119902036.20 109302898.82 80642643.81
12-Hydroxydodecanoic acid
3654584.02 118264291.07 7995339.64 25305862.98 20734611.61 20388063.75 18907327.08 10178041.95
12-Hydroxystearic acid
28310267.59 69163730.77 41578531.44 52571435.98 29980586.30 52068567.19 32092354.77 40722085.26
12(S)-HPETE
1295132.63 1379647.38 3780205.67 1475319.27 1533396.89 1472537.05 1255751.68 1010386.12
12(S)-Leukotriene B4
702934.81 6671224.57 845286.00 5471728.38 1033369.53 1126534.36 1857261.21 2429598.93
13-HODE
25469329.55 33748834.94 23996647.98 25451548.36 19585645.21 29553558.72 28564016.48 22777959.07
1-(4-Hydroxy-3,5-dimethoxyphenyl)-7-(4-hydroxy-3-methoxyphen...
20503993.24 36632163.78 43475195.38 17479400.13 14725523.88 20038735.82 18328771.68 55045061.61
1-[(5-Amino-5-carboxypentyl)amino]-1-deoxyfructose
4265258.03 3877471.54 6040894.76 2449464.12 6685188.75 5123737.05 5733961.46 5317799.40
16-Hydroxy hexadecanoic acid
3164213.75 14752176.06 4652463.48 29242492.60 13775695.28 22594585.77 13077833.62 6312475.35
19,20-DiHDPA
1960296.68 21913227.28 2273361.57 5639181.09 4558552.46 2866832.79 10965122.93 7079426.29
1-Aminocyclopropanecarboxylic acid
11488864.56 12220619.54 8567704.52 5988775.63 12942427.83 6154051.50 10568441.17 13455006.76
1-Arachidonoyl-sn-glycero-3-phosphocholine
3117355114.30 4310666954.70 2395091602.40 2732881740.80 2841841385.10 2541364923.30 2128208131.50 2810472551.60
1-Hexadecanoyl-sn-glycero-3-phosphoethanolamine
421832145.97 451332888.84 392550683.66 415990671.05 444376286.12 430348355.56 493054043.28 366759792.77
1-Methylhistamine
10874456.36 2760398.87 14783935.17 2837512.02 11351412.51 3333005.05 4095812.59 14023153.27
1-Octadecanoyl-sn-glycero-3-phosphoethanolamine
109447615.13 126294560.85 83501522.44 103290311.44 116635680.32 117135501.23 132193837.92 92474553.56
20-Hydroxyeicosatetraenoic acid
322716.68 2925321.80 499689.72 832974.44 346221.62 542932.62 419328.84 551423.04
2,2^-Iminodipropanol
82837743.21 191006624.28 175884936.98 109031381.00 116032822.56 228250816.54 117052875.77 295569603.59
2,4,6-Octatriyn-1-ol
23467859.13 19971090.37 32110973.44 10288586.95 23539451.46 11722884.23 18568893.40 23689402.69
(±)-2,6-Dimethyl-5-heptenal
43856838.68 37355157.97 29567714.34 16064591.93 36804100.60 27594180.03 27423538.16 34561418.66
2,6-Di-tert-butyl-1,4-benzenediol
2105306.97 3409170.93 1479101.14 5111661.51 2632146.79 2205901.91 2495217.15 1407527.08
2-Acetyl-4-methylpyridine
17037701.70 16264175.14 20591885.58 8280563.13 20234719.85 8892387.33 15125814.09 18558645.86
2-Amino-4-oxo-4-alpha-hydroxy-6-(erythro-1^,2^,3^-trihydroxy...
8587454.21 20097676.68 26477857.32 8894305.52 6972837.56 11466918.13 10234557.46 32664853.61
2-Dodecylbenzenesulfonic acid
31861271.03 36829664.88 37024578.69 45811686.93 35246508.16 41139681.80 50239643.99 35671300.26
2-Ethyl-4,5-dimethylthiazole
19745647.36 4848890.92 3151929.80 15875621.18 22271443.81 9421568.25 21660235.22 6135450.89
2-Furoic acid
4893123.86 9224957.28 6399032.77 11818925.01 16342506.19 9066010.52 18810994.72 17816022.55
2-Hexenoylcarnitine
595381.91 544653.77 609481.32 1433063.49 1035383.93 540825.42 1402258.48 568301.75
(±)-2-Hydroxy-4-(methylthio)butanoic acid
2392618.22 1890054.69 2387991.96 2849036.63 2008635.04 1917369.82 2323427.69 2299648.97
2-Keto-6-acetamidocaproate
1870200.34 1948815.06 1688066.41 1969171.17 4727414.89 2232259.89 3225722.40 3687147.75
2-Ketobutyric acid
89197439.97 85971924.11 83606989.75 59480517.00 93642598.25 72158304.34 91293310.05 101165544.71
2-Methyl-5-nitroaniline
35458960.54 67923916.18 34102625.80 59016392.29 75112664.86 42645111.31 65553138.00 65356344.36
2-Octanamidoacetic acid
6062164.99 30180820.44 9260257.70 46456971.79 27447410.29 23012999.86 22994139.55 15947619.21
2-Oxoglutaric acid
82461811.22 10682054.52 45928629.86 93701246.32 110131325.94 113991942.18 158633431.12 107150917.16
(2S)-2-[(2-Methyl-2-sulfanylpropanoyl)amino]-3-sulfanylpropa...
92961062.61 222701855.06 87080165.78 57775661.14 76919412.98 39524072.04 87036998.49 47440650.01
2-tert-Butyl-1,4-benzenediol
3853254.97 5287086.84 2445721.03 6330014.45 4585992.52 5197153.36 4432995.69 2443900.30
2-Tetrahydrothiopheneacetic acid
1033101.36 1115966.23 1254988.40 5466600.18 4218120.36 1548726.40 4193921.28 2571067.61
3,5-Dihydroxybenzoic acid
17216876.31 20018116.67 15747827.95 12352303.19 21787190.07 24988171.49 12414414.08 25434741.61
3, 5-Tetradecadiencarnitine
4706261.18 13125074.38 4732327.30 19875123.06 13411145.44 15558376.02 11269712.97 5957139.62
3-Carboxy-4-methyl-5-propyl-2-furanpropionate
780242.31 121348.99 79126.36 349182.86 622663.06 495764.55 731922.66 176959.41
3-hydroxy-2-(hydroxymethyl)-2-methylpropanoic acid
3527200.66 1926106.74 3831604.90 3808726.94 4121304.73 4336196.32 4196504.69 3094359.04
3-Hydroxymethylglutaric acid
6726345.15 16345713.10 6372597.82 23584362.31 20971190.33 8934078.46 30982873.81 17846138.51
3-Hydroxysebacic acid
31581283.81 22408036.05 24524124.99 29220470.85 22203103.20 30022431.57 23575248.20 24745928.19
3-Hydroxytetradecanedioic acid
9202583.64 26792569.49 2594199.97 6018325.27 3324576.69 6075035.57 3259696.51 7665642.38
3-Hydroxytetradecanoyl carnitine
1031049.09 12281970.82 610582.89 11173753.54 1572232.27 4460647.36 1782021.12 706247.19
3-Mercaptohexyl butyrate
106551897.54 100003666.35 68246459.60 78134949.98 38017951.98 44229208.93 49277052.54 84058268.46
3-Methylcyclohexanethiol
1220581.74 739573.92 1059413.77 1271970.46 1690674.86 1421745.99 1418902.72 1209804.21
3-Oxotetradecanoic acid
7432513.06 278264187.74 16996425.21 111264922.68 61485765.93 68431681.65 57473194.10 29006219.07
3-Pyridin-3-yl-2-thiophen-2-ylprop-2-enenitrile
72336.43 246712.05 322202.45 209543.00 273723.69 145659363.04 356747.99 200354.96
3-Tert-Butyladipic acid
26500736.58 49887356.98 21494820.72 56334999.66 47518989.10 30534258.13 47742732.75 39816729.01
4-Guanidinobutanoic acid
11077340.63 5074232.79 4847066.73 2939490.91 5286809.85 3393347.82 7561474.34 17167558.21
4-Hydroxy-5-methyl-3(2H)-thiophenone
5607431.80 6635060.18 6283546.98 7139342.99 9854786.81 7729363.96 6335378.07 5548602.06
4-Hydroxybenzenesulfonic acid
14402861.82 185074947.66 75396859.59 98709.45 151170287.39 34007442.34 120149659.31 150866951.06
4-Hydroxycinnamic acid
214918786.09 211336330.68 175218244.35 128914773.99 250112133.61 123838284.02 201574002.57 192588712.34
4-Indolecarbaldehyde
57238568.69 77230584.56 51553818.36 42822407.76 83992140.83 66906177.26 70075906.07 124127498.96
4-Methylene-L-glutamine
129264170.36 81123907.52 87777442.75 64541003.26 109993540.29 78866082.18 95438653.16 100105384.30
4-Oxo-L-proline
62222380.14 80517123.84 106714769.59 56406881.67 93957236.07 48754558.61 80292086.56 103491471.53
4-Trimethylammoniobutanoic acid
52983712.77 37494775.93 36835460.18 18519391.96 21892575.94 18542012.38 20406061.30 60788860.02
4-Vinylphenol sulfate
2441761.93 2507275.05 746695.52 3322896.58 3078933.38 1804853.93 1436336.03 2293856.43
5-[4-hydroxy-3-(sulfooxy)phenyl]pentanoic acid
78690.17 5710785.66 3121371.08 61710.01 1312020.84 381089.71 1293756.75 5498206.29
5-Sulfosalicylic acid
1936383.90 2184940.46 3004633.35 2550017.16 1762698.55 2407377.98 1949908.37 3383618.30
6-Hydroxypseudooxynicotine
3785598.05 6575867.59 7459135.14 3433178.32 2604894.56 4370843.31 3650564.16 9694548.93
9(S)-HPODE
17081945.58 325332849.85 19513600.25 93844741.82 29943586.33 31732116.96 49002580.91 50862581.37
A-12(13)-EpODE
5100085.83 16186642.71 4225542.34 6952671.03 4059793.18 5964354.89 4795960.93 3973174.06
Acetylglycine
34338286.36 22131199.25 20358671.92 24965631.39 36938066.70 23857864.35 34440954.26 38269948.04
Acetyl tributyl citrate
798416.22 4229475.71 833035.40 2322391.18 1268843.82 1871415.42 1186661.13 1404474.62
Adenosine monophosphate
4333849.24 3409896.38 116351693.76 3674496.44 4808120.89 2506363.91 8628283.41 6122270.51
Alanylglycine
133626176.65 132861104.64 83136679.22 120969745.63 176535090.89 102672530.43 207359833.44 181133632.77
Allantoin
79870271.34 112731913.43 134298470.21 145832189.44 206362301.66 112073425.37 133903885.63 191335176.47
all-trans-Retinoic acid
9957158.75 7626798.62 6564132.00 9021485.57 7701527.81 8826223.88 10139371.15 6968254.24
Amidosulfonic acid
6653270.77 7379841.41 7445657.34 14507853.01 15263117.92 11410874.25 22034517.09 14279351.91
Anethole
824900.44 1720264.48 2280902.72 723282.10 543164.58 955114.66 662235.33 2828956.45
Artemether
313552.99 401175.23 298012.28 338412.75 2390318.95 770606.87 809676.81 533452.91
Ascorbic acid
124179822.60 4946031.51 6012914.07 116095398.59 127053755.24 67212870.22 228261551.70 72150380.17
Ascorbic acid 2-sulfate
31064762.16 80685001.77 40217944.26 78701307.87 70854337.18 54319921.89 76127229.51 113943636.41
Aspartyl-L-proline
3289033.61 1570239.42 2435971.00 4335950.38 11061048.59 3601876.31 6507242.99 4643617.64
Astilbin
3819967.57 3059350.77 1638124.48 2089098.28 2872225.85 5014562.25 1276314.23 2728082.68
Avocadene 1-acetate
4708589.36 8419558.48 6352730.22 8704348.24 12496403.75 7221911.97 14749420.17 15492424.81
Azelnidipine
15183928.47 3503985.80 4154360.35 19620377.59 18325622.66 18879369.46 12088526.98 11105226.29
Bevenopran
840826.71 1098562.76 520222.86 686227.20 953422.07 807045.76 410062.23 1098188.78
Bilirubin
19856258.31 4495460.80 6424309.90 21709515.28 29057745.46 23765678.82 21858551.04 16468913.59
Bisoprolol
1821443.55 5174792.26 1110324.14 5968784.75 2939862.19 4842981.53 2808434.44 1616789.07
Butopyronoxyl
2681756.25 14265586.69 2777329.01 14289779.54 5263945.39 4263803.91 10470715.08 3188335.20
(+)-Calycanthine
4647839.54 25219736.02 29438377.71 48130158.79 51112988.47 37244521.62 62615821.66 28440260.50
(±)-Camphoric acid
696896.26 3680454.89 767484.54 10898125.06 2477984.09 2294227.83 4100265.58 1288750.99
Cascarillin
6581826.74 8340108.24 9531013.90 5687565.17 3306311.85 7026877.42 6093504.15 10963205.49
Cedefingol
19451445.34 21517326.79 13859581.47 15033450.67 20494088.05 17842162.51 18342295.65 26439937.60
Chenodeoxycholic acid
967078.44 4879898.62 986659.31 1890353.19 1635490.77 1552686.27 1627363.22 6003155.21
Chlorpromazine
785099.25 1915804.99 11846550.30 96164407.83 8080207124.10 2215298.28 2408103.84 5387709.33
Cholic acid
19973527.46 39405028.99 10534004.85 21948205.44 29599098.14 6832639.60 22525693.43 94156099.03
Choline
419935417.75 601861561.75 353888182.96 517154825.56 856389624.32 401964626.25 687292433.98 903376693.77
Ciclesonide
5409888.50 3101554.56 2849549.12 4781700.36 3652164.28 4505677.63 5778348.55 3014851.31
CID 12910457
241444.40 243960.60 247488.18 226915.23 290456.08 233185.99 291408.91 264695.82
CID 134693179
1034071.53 7048118.22 74186.51 196885.70 916395.13 321562.66 245624.74 2712971.89
Cinnamoylglycine
63749502.86 70529594.70 41354780.30 44367801.15 88914648.53 77873149.28 74702290.41 107647593.34
cis-4-Decenedioic acid
8487938.37 28786283.19 6024291.35 29304708.60 17878626.49 13456465.79 27633500.23 12524498.50
cis-5-Tetradecenoylcarnitine
10316022.25 67071970.97 13998745.95 93140909.54 68989661.35 63079081.62 54865813.55 22605177.44
Citric acid
484128922.00 843878588.16 624310661.03 1000569337.95 1355980574.44 824887397.31 1641465480.70 1521659320.47
Citrulline
311746652.64 297410157.73 241130265.20 160466139.73 236641721.31 216380021.03 220303193.88 259633583.78
Clozapine
8164617.38 1796565.47 1825223.64 11989414870.10 3879336.27 15750981.65 11352682.52 1641748.42
Clozapine N-oxide
804534.64 934766.81 1278578.44 613803016.56 1111305.01 821831.43 1525961.44 945772.09
Creatine
950625815.29 566959433.68 969164967.16 401668164.76 972058093.48 410224545.33 732293298.03 775768390.28
Creatinine
39695065.31 34019098.50 85220995.28 62710470.76 60291906.94 58496575.81 59691429.21 68105809.58
Cytosine
18896895.21 16958248.99 17319401.02 37530748.98 27035421.24 22202259.65 33718932.20 21635144.46
dacisteine
1642993.05 1460199.43 691744.92 5746939.05 5068573.61 5476717.96 6535582.31 4318000.54
Daidzein
6838245.42 1934677.15 4135188.80 2105439.95 5800440.02 3834576.59 2618316.51 4998412.27
Deoxyuridine
17210836.21 6996535.29 11748707.65 14139056.24 15473713.36 12838442.43 16452752.49 9730173.14
D-Glucuronic acid
308790723.04 14410540.33 19105246.90 366800502.93 287625148.86 208225711.37 549662598.65 208320642.81
DIBOA-Glc
2960297.24 1936372.37 2128012.72 495934.47 495665.49 1288672.11 796765.53 700297.46
Dibutyl malate
1613710.18 23211608.27 766193.07 2115997.42 2021559.39 1663554.97 1451364.70 1931362.05
Dibutyl phthalate
10052786.68 3813630.14 682414.91 9187376.34 14110085.61 8944337.08 13219297.52 1153283.36
Diethyl pyrocarbonate
60817886.31 42257203.09 76209086.84 66857931.54 75584488.74 70908796.01 81408668.87 58278146.89
Dihexyverine
3103268.32 3423930.37 3320853.69 3166171.11 3919109.40 3236437.37 5890935.95 4154863.26
Dihydromethysticin
1224583.88 2407678.29 3230077.78 1021655.85 693869.00 1228830.96 1226150.52 3672772.83
Dihydroroseoside
4192149.39 4133635.87 3353776.61 8445337.89 6628078.09 7635395.26 3603214.96 2590058.55
Diphenol glucuronide
3827945.65 3769894.51 4384536.11 1297953.18 3708628.00 3773226.59 1077302.87 4503850.91
DL-Glutamate
14996855.30 12917178.06 9556958.30 10600577.46 23795346.84 10842279.89 17910996.18 16905120.53
D-Mannose
6309617691.40 5354704990.30 8058982907.50 6755427729.70 7400866910.60 8054236249.70 8509649617.00 5955177852.60
Docosahexaenoic acid
145050642.24 274146034.27 251608358.17 209732014.51 283752438.89 191259316.60 221663985.48 235732992.00
Dodecanedioic acid
21991586.58 64773661.10 8950706.60 31277736.83 32655055.67 26167099.25 30297866.91 46737940.35
Dolichol phosphate
3766647.27 3913850.47 6153433.18 3581975.85 2721611.24 3833758.82 3929201.74 7184502.80
D-Phenyllactic acid
18641368.02 20693942.49 25985533.30 37395579.28 26479058.40 21832652.03 37418781.33 42958708.21
D-Proline
341069415.17 341984917.14 293066337.76 179534283.03 414494178.51 195423053.35 256457148.01 403424069.38
D-​Xylonic acid
91952988.80 65059906.99 106886737.34 93772556.64 125480466.87 120413491.24 124592424.46 101526046.70
Ecgonine
2508693.84 10864476.83 2851584.85 12358472.44 11128881.91 5728996.09 10459332.05 5376132.67
Ectoine
103902333.88 17560321.09 11883803.91 21695627.00 83270490.28 56678291.69 34030436.19 80998277.82
Enviradene
227329.12 282971.25 309657.45 210690.47 292435.55 244582.31 415136.79 313662.10
Ethyl glucuronide
12504263.76 13922527.97 18305551.58 11849638.47 8722419.34 13878418.17 8811055.16 18406728.79
Ethyl vanillin isobutyrate
8951066.48 14502117.53 18591481.62 7938311.97 5702618.27 9117241.22 7440211.23 21514037.90
Fagomine
42788354.63 34031091.70 41575024.55 43663572.67 54578943.44 39426028.12 51213842.35 40455087.87
Fenethazine
361661.55 297748.21 310184.85 325894.72 1481875.21 368183.92 360036.33 333203.22
Floionolic acid
441698.05 1777565.66 834866.00 428202.87 426373.13 1029049.71 326007.61 1376803.03
Formiminoglutamic acid
3243720.67 689571.06 2402291.47 1868333.89 2411356.52 2875569.47 2929056.52 1271925.42
Fumaric acid
15185244.97 5986985.14 8646997.86 14148203.52 23809764.21 17939694.78 34962664.02 32957466.72
(±)-Furaneol
483933.97 831466.28 398009.02 517665.16 847077.90 473952.34 686246.04 572001.33
Galactitol
3254440.07 4033852.62 4527242.43 7236167.89 13674069.15 4433790.39 14891059.30 18619447.30
Genistein
2876150.14 1309355.56 2584508.34 2211658.47 3722169.77 4215825.42 1721399.38 3306969.42
Gluconic acid
57538104.55 62629602.04 66699425.54 104535704.14 192132582.42 113105845.85 202922150.99 93552636.24
Glu-Gly
9261197.83 4869095.85 6223279.05 5317798.24 14280278.77 6410835.98 9602102.38 7916526.52
Glutamylglutamic acid
3724091.15 2090125.20 2738106.10 4241847.48 8730953.61 4428272.83 7459685.44 4876556.16
Glutamylmethionine
44087381.99 15976346.06 16033508.51 13373225.08 28423466.24 29727652.38 29194797.27 26464599.32
Glutamylserine
3200923.43 5073145.51 4812702.78 4524230.17 5562147.21 3227577.83 8005398.39 4707028.67
Glutamylthreonine
3494630.90 1313612.94 2292049.31 1334537.45 3592812.91 2987465.50 3298393.15 2494094.01
Glutaric acid
1953153.34 2845533.41 3401886.59 3262994.76 4513604.16 2679081.14 3961786.18 3201206.65
Glycerol
6609389.35 7811993.68 6469251.50 12015277.59 14018830.13 10451492.41 10204684.28 9079884.63
Glycerol tributanoate
126122.94 573157.28 171112.52 1571663.08 365680.18 135133.83 532529.50 198871.12
Glycocholic acid
8126208.61 743771.83 390659.97 1643003.64 6827352.00 4192525.64 8959722.18 997131.84
Glycyl-L-leucine
8589505.91 3837491.56 6293944.23 11125799.67 15085651.47 9130518.97 14740139.67 7994072.13
Glycylproline
4738472.60 3597283.77 2827089.78 5631885.16 8643153.63 5821755.83 7864352.77 5850762.70
Hexadecanedioic acid
2964322.71 177166404.34 2788438.32 46543418.38 14639791.61 10763984.60 30602313.37 11938611.29
Hexanamide
2345941.48 4367044.43 8177140.50 27376163.95 4945212.72 9689181.78 24028619.61 7679850.29
Hexanoylglycine
73746850.73 164033806.70 84468235.67 328198259.70 135258087.10 169151870.67 206849272.09 117113518.85
Hippuric acid
174189117.12 289653249.42 160749660.81 120408096.30 230489018.11 216467987.59 161235435.31 619526148.69
Histamine
15592141.01 3028838.83 7432916.80 3281261.04 2949204.08 2095263.13 1835421.38 2443180.26
Hypoxanthine
26510706.27 30435111.03 41022176.67 30137612.08 28049705.30 28630312.27 57733430.68 39540191.53
Indole
2272951.05 4169543.95 2365764.14 1562531.95 3530044.04 2997203.85 3653823.73 9654128.96
Indoleacrylic acid
2596481.73 3605670.60 1977889.62 4350250.29 3119248.76 3873896.32 5356812.39 8773477.58
Indolelactic acid
60009595.05 81637958.97 104517114.83 154074183.48 146601171.96 104958900.76 182538359.91 239473048.35
Indoxyl sulfate
104530772.30 319871856.51 131156250.15 38661647.38 317046987.49 207426863.99 113350454.92 390172052.87
Isobutyrylglycine
54917890.14 67007137.67 13279201.24 87220455.50 97567603.33 75501216.50 103970156.08 181841835.19
Itaconic acid
317785330.74 28174394.63 19173589.77 384710389.24 297453317.49 220772974.92 583642260.74 226945841.22
Kyotorphin
5077523.76 5165043.67 6785936.83 4962169.72 2921372.14 5485485.95 4699831.30 7743176.38
L-Acetylcarnitine
646348582.53 513601524.37 356572112.88 421879428.74 243858055.87 223172725.10 240139009.09 526738510.78
L-Arginine
470398275.49 422759864.00 425769848.53 229303128.24 385174865.30 321051684.92 274122997.48 390633376.51
L-Asparagine
25483233.08 39671764.26 32158129.97 36821568.09 54553727.89 47431985.43 84127669.95 45105850.69
L-Carnitine
940445811.81 471871377.51 662876961.41 387613807.20 339700391.95 452019663.50 367515479.53 458020297.32
Leucyl-Glutamate
42862030.93 20340208.30 28311820.13 20840762.53 40858263.46 27032527.53 45444282.77 32931934.43
Leucylproline
530965.68 1250221.57 1929847.72 527908.17 14030723.15 531636.96 4842466.30 3340315.63
Levulinic acid
3079905.17 5112839.83 6108347.02 2718599.55 1819969.98 3306843.25 2980096.18 7903696.97
L-Glutamine
523643883.58 568146080.98 357036003.12 379124521.79 427405672.09 332044909.11 420987461.88 670494153.69
L-Histidine
120116088.80 138460366.86 103388902.06 93610019.16 143635719.30 73910083.97 126117772.22 124409891.82
L-Lysine
595967122.20 826807584.35 481829258.46 349339967.92 596531732.96 365852108.43 451314126.84 676644258.20
L-Methionine
1062199791.10 903295092.13 701920369.23 456539375.47 893501594.30 613317048.04 664069625.02 813115883.43
Lopinavir
39611498.96 34838970.19 28786139.88 38171848.26 28152343.08 38208279.05 41278919.64 32981011.80
Loxoprofen
16625430.69 16849355.50 16622177.85 11763783.13 13081612.53 13792747.37 21019526.11 16634420.64
L-Phenylalanine
448794.42 1142813.15 300832.34 966353.86 632213.35 536850.29 935297.92 840994.56
L-Prolinamide
436145622.71 605133577.10 358507506.90 260767714.82 450523719.00 272638780.66 323518230.03 505410788.93
L-Serine
338033463.70 361909319.06 251371699.13 256522206.54 289575204.43 229928731.92 287095090.18 425285294.44
L-Threonine
72718562.90 75957884.07 54939017.37 22973785.11 49238401.34 36870285.80 35205102.15 59679432.49
L-Tyrosine
217863147.35 212739487.43 175804215.47 128261320.67 250713346.40 124109871.64 201502527.94 193980758.64
Lunacalcipol
29975390.48 24218157.41 25221517.36 29020142.14 22823643.09 26540890.23 36026266.51 29328949.97
Lusitanicoside
1143728.94 4758277.16 903957.71 829366.93 1509242.92 1068848.22 1013184.44 2262768.29
L-Valine
2071637405.20 1842671225.12 1356367050.40 1122486557.54 1589804544.70 1225235746.20 1603567568.83 1754290933.10
LysoPC(0:0/18:1(9Z))
513486419.31 554190696.14 585878344.29 693152703.85 477900389.36 659463961.04 665286814.53 668061445.75
LysoPC(16:1(9Z)/0:0)
539253482.30 673261554.04 490604307.46 976836859.40 714899022.18 807809546.65 813451224.77 649339143.03
LysoPC(18:2(9Z,12Z)/0:0)
8583429982.90 8032532705.70 7099784769.50 7210034801.90 7760664826.90 7808778622.90 7339187750.70 6681014994.90
LysoPC(20:5(5Z,8Z,11Z,14Z,17Z)/0:0)
170450091.31 255906356.58 219267995.70 153717289.40 155336714.29 231829548.20 134616535.90 218949306.40
LysoPC(22:5(7Z,10Z,13Z,16Z,19Z)/0:0)
59979540.21 51615364.27 36216890.25 69773873.14 71860995.31 65155764.94 27959909.09 51195486.22
LysoPC(P-16:0/0:0)
18687859.28 20435146.21 16257640.83 17155562.18 24549908.54 17490172.15 25025890.43 15670468.72
LysoPC(P-18:0/0:0)
64115535.67 66746284.39 50978445.52 50493378.04 73070963.39 60855595.26 73072216.75 57653772.80
LysoPE(18:1(9Z)/0:0)
196119627.48 207223030.70 170093005.51 151953815.98 227879611.13 170563088.86 213691120.32 158487194.11
LysoPE(20:4(5Z,8Z,11Z,14Z)/0:0)
257892726.14 319004152.16 310185574.06 266511471.24 307689703.28 262464372.65 209289905.31 299513130.01
Menadiol
47864595.25 81858290.94 86682180.92 46765224.40 30708813.82 48331103.33 57901533.95 118149062.27
Menadione
6475537.24 5023859.42 6109434.26 5547818.50 2384221.53 5932880.26 2771487.99 8256921.43
Meprobamate
1131596.50 452321.77 854060.63 924419.28 1020768.21 1331442.22 1194162.86 1022096.42
Methacholine
94069376.78 45069396.44 33361527.77 37210900.48 46508484.55 29988144.74 39366622.30 57884797.77
Methyl 3-(2,3-dihydroxy-3-methylbutyl)-4-hydroxybenzoate
343792.58 4708273.54 495601.40 5317938.43 1616334.06 1058440.05 1522804.67 854080.97
Methyl jasmonate
5307883.74 9469189.48 3162207.18 9459027.43 5171556.20 7241093.38 4959607.83 4433002.02
Mexiletine
4720232.72 7106213.80 3653276.35 9422292.55 9798238.22 7736293.42 7236740.12 3039344.05
Minaprine
1525667.92 1041077.90 835486.59 743414.18 611110.57 900655.54 727473.54 573858.84
Muscimol
1118334580.10 777126553.11 1010819414.05 518105876.58 1104208724.45 464516022.96 800047459.17 978819875.45
N1-Acetylspermidine
7828021.61 6128885.18 6939119.91 27480317.11 40807912.85 13863212.55 23910970.89 15046314.53
N2-Acetylornithine
32833102.18 23356837.85 18508694.25 26652078.92 25434438.61 24696670.74 23065881.23 19789198.48
N-a-Acetyl-L-arginine
34917876.61 27337082.49 29294153.80 9896879.87 37547809.54 11256939.49 43015529.87 23240324.41
Nabilone
7220188.96 13838961.65 3675866.30 7988366.94 10485686.19 2819024.67 7606150.50 32920331.52
N-Acetylglutamine
6980179.16 9082549.62 5615429.56 8039038.77 19270373.44 8027273.99 14638106.51 11854969.45
N-Acetyl-L-alanine
9703897.40 7099498.56 8061255.31 9817661.06 17114917.22 10172400.69 16239875.49 11748241.37
N-Acetyl-L-phenylalanine
41396650.26 110431645.72 25729323.14 86976855.05 56979733.74 48657131.68 89393401.74 76933001.69
N-Acetyl-L-tyrosine
7043851.70 29103795.56 6005148.88 11897597.62 10700772.16 6118846.56 14261109.10 16310655.96
N-Acetylserine
162105454.52 121918788.28 85710774.80 65059787.38 102523648.47 69045593.23 82378447.58 156000062.55
N-Acetyltaurine
4484419.91 6221204.64 5037217.23 8321545.16 8144714.58 8474569.13 10128066.32 11552279.66
N-gamma-Glutamylglutamine
32474757.46 14721304.28 14902873.76 20056511.83 36475685.30 22545755.84 30765824.38 34694563.04
Nicotinic acid
1488134.12 1319125.10 2103106.04 2436936.64 2363289.09 1649554.54 2007925.53 1837949.10
N-Isovalerylglycine
52957920.92 58422194.46 29738590.80 54985618.94 96664463.70 49605438.52 88275531.76 94227565.94
N-Stearoyl tyrosine
6968292.09 18430251.80 5256245.24 17654814.14 18142785.50 14406002.05 12497218.99 10021505.49
Octadecanamide
21195607.39 133766203.70 182837235.78 18574111.98 10118855.16 18867480.84 12233265.96 236217535.37
Octanoylglucuronide
45157604.27 30170557.44 42332177.36 40759785.36 30342527.96 48223604.35 34606530.56 43149274.06
Olanzapine
3309566.54 33946494.33 52197017.09 31606024.35 20837980.24 8879914556.10 12945082.31 32475570.32
Oleamide
198888339.60 293353081.65 194392486.59 196204711.91 234179458.96 232980573.69 242662599.24 155703857.11
Oleandolide
75043085.43 65096736.87 116463543.24 62175700.29 120907750.13 45509433.29 67012982.45 51202934.78
Oleic acid
545677.07 3678702.40 562862.20 2649146.80 1759824.30 1611214.62 2930524.97 925273.56
Oleoylethanolamide
7685130.59 81727059.56 153375999.67 8177308.98 5067743.35 8080865.10 1287105.99 207730605.78
Ophthalmic acid
6668170.09 1585126.86 2702611.43 8061330.75 10869648.92 5887259.07 20038386.61 5202459.56
Oxidized glutathione
320558128.77 147910519.09 123532925.94 295050998.07 503418540.84 334734195.64 782170424.21 326280676.78
Oxoadipic acid
8633590.32 9097874.55 15189927.69 6991160.58 5208121.31 12137504.61 14163507.55 14120461.65
Oxoglutaric acid
9432176.51 17603682.17 13888867.20 19190006.78 25202756.70 14152820.71 26894300.42 29559862.16
Oxybuprocaine
1380591.94 2946850.44 1428764.72 1025056.81 1824758.52 2171522.44 1819115.60 3070219.63
Palmitic acid
4025137246.00 1007218992.64 223509397.90 3570767155.60 4102712295.50 3575939838.60 4795633812.30 343643460.76
Palmitic amide
55906330.24 364105570.60 411994782.45 40207877.90 43732819.78 50564942.95 68774763.82 685353711.48
Palmitoleic acid
34800754.92 62835077.08 50193791.56 70506943.44 36283662.99 83333955.18 48450673.64 50632045.27
Palmitoylethanolamide
140504947.07 36187322.28 5859620.56 137996348.35 174718520.97 138722751.80 232588115.51 9788613.15
Paraldehyde
8476475.02 9914947.56 11134006.78 7688646.90 5338968.34 8899715.28 8678845.34 13663517.49
Paucine
2370538.93 5570572.84 7349152.01 1886225.13 1442109.54 2723243.33 1846442.29 9087381.37
PE(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
31124507.29 26457688.62 27888529.10 30283836.89 27367453.29 34885561.31 39853008.59 26530018.34
Pentamidine
6173507.49 3979419.54 1388858.41 6657085.90 8944188.41 6565705.69 9381865.97 2483188.88
Phenotype 1
- - - - - - - -
Phenotype 2
- - - - - - - -
Phenotype 3
- - - - - - - -
Phenylacetaldehyde
18636857.74 25267399.58 25656687.50 36704229.94 26111214.25 21446786.42 37084666.37 44038147.80
Phenylacetylglycine
93967208.81 143567623.93 70231356.23 88942134.19 80491943.23 71267091.64 97281194.33 122426742.65
Phenylhydrazine
10977036.96 3400085.00 15081876.23 3479956.39 12035954.78 3925212.55 4879204.95 14975511.06
Phosphoric acid
166033637.51 287936777.28 78130343.36 188314731.91 196518495.84 104064538.90 279456953.13 261846999.56
Picrocrocin
920197.30 1137414.65 908574.78 1396547.43 1398837.80 1304800.33 1556309.70 1130628.46
Pimilprost
4336383.93 40467147.36 54427680.77 11142039.27 5927566.84 2989498.65 7512708.33 66420169.06
Pipazethate
374084.37 464432.93 997407.73 1273480.93 1286095.53 388717.26 761575.37 489788.35
Pipecolic acid
27506460.48 24318519.14 24778272.80 26222699.95 41309809.72 24854511.14 29822405.57 26746152.38
Pivagabine
13907943.93 18071035.68 9455862.06 35863510.70 41141295.09 21240009.06 43097077.69 38510930.27
Platelet-activating factor
5920131545.90 5583334749.70 5047168449.90 4663401594.70 5967377027.80 5781412305.60 5394179834.30 5257347899.60
Plazomicin
29632041.62 24193522.02 22183037.63 31761749.30 24152433.97 26896849.07 32690400.32 26675644.34
Pregabalin
789371486.31 443253878.35 329231289.04 384799094.24 355427633.98 333058513.62 358252972.50 466798596.49
Probucol
26096204.85 30965560.05 32237806.64 27852012.60 17407335.78 22984381.06 26961186.92 39372075.72
Prohydrojasmon
4926271.48 26438270.63 7840182.82 25273269.27 19713032.59 10309009.31 15612019.74 6391344.62
Proline
69563973.03 64847477.16 53329035.89 31745069.22 58612701.26 31001296.60 41512410.99 52710800.51
Proline betaine
827634.19 1487829.54 1191954.25 1056917.44 1060830.50 864599.53 1205263.50 1575067.00
Promazine 5-sulfoxide
330919.82 258472.68 267698.13 312888.69 50418771.81 295175.83 439807.16 290599.65
Promethazine sulfoxide
119250.29 176412.13 186266.02 162634.65 11656629.11 119118.45 300319.65 188333.51
Propionylcarnitine
2468686.22 22049538.73 4591565.30 26420493.56 18338394.29 10203178.36 17875426.38 7021288.19
Propofol
609789.17 1184302.40 402530.51 3013653.07 1953126.02 1476750.69 1751761.05 870677.64
Prostaglandin G2 2-glyceryl Ester
56045848.63 13300555.60 2730673.40 48721616.56 77154130.26 52788790.56 87798064.67 3447191.45
Protodioscin
2722856.41 1719898.02 2225961.81 2607864.50 2094184.67 3238464.59 2499422.99 2063599.76
PS(16:0/16:1(9Z))
685208.41 20508801.56 932371.40 10060439.02 3389508.09 3941532.23 4073196.98 1617320.68
Purine
96654532.90 64791589.02 104181023.59 118756984.03 149860587.63 146165137.80 160939141.62 106060282.45
Putrescine
2229701.63 2064393.79 1353821.46 1544067.87 2566617.76 1312748.24 2291002.10 2338159.14
Pyrogallol
16403109.09 12588146.21 28167831.83 13054031.38 25511920.04 18171457.58 25917362.39 16725545.56
Pyrogallol-2-O-sulphate
888886.68 1766087.07 1336248.04 294195.37 9210023.41 3129185.68 351347.49 3150545.81
Quercitrin
1646237.86 4068355.75 1719641.45 1719390.33 1524860.82 2615606.16 1083658.76 1399012.84
Quetiapine
8866190.64 26561048.68 1058655899.14 465957705.78 28472328.57 19616714.17 21087027.72 20895866.36
(R)-3-hydroxybutyrylcarnitine
9540351.58 13841565.89 6388872.44 11058895.02 4732191.61 3972988.14 7939768.24 16472569.26
(R)-3-Hydroxydecanoic acid
11005112.61 20463946.31 3976523.74 8110962.96 4105814.50 7205927.62 4546797.55 6210650.84
(R)-3-Hydroxy myristic acid
1671876.22 45733054.37 3430035.70 8842536.32 9189867.43 8029572.78 7579707.04 5712013.23
Ribothymidine
23227296.66 11005465.14 11017043.66 15349650.55 30044547.64 17281367.24 24863870.54 25794485.25
Ribulose-5-phosphate
13220658.22 8198928.86 15194151.38 10230593.27 10349761.44 6859770.65 14332287.50 8750813.46
Risperidone
8335436.44 7221273.01 8840739.77 8650736.26 5567635.83 8086265.87 8394940.51 10361907.93
(S)-10,16-Dihydroxyhexadecanoic acid
562451.33 3126338.40 985554.61 1945929.08 1425559.54 1952787.65 1823208.20 1586912.89
S-2-Propenyl propanethioate
13721505.42 14351347.83 10087692.43 7644465.62 10781604.04 7744285.43 9557435.49 16271241.43
(S)-9-Hydroxy-10-undecenoic acid
562860.84 2199051.55 355853.89 1039376.22 626680.82 549014.55 621949.90 601041.94
Salbutamol
4224484.76 5005337.15 3444842.49 7852084.58 8608692.56 6649727.39 6115131.66 2523905.65
Salicylic acid
17139183.81 10949946.40 6715866.14 6811108.15 9010132.51 10178563.22 6054878.62 14341916.84
Salicyluric acid
2669763.23 2212650.71 1506313.95 1940866.66 5203631.44 2940637.24 2639896.46 8172568.57
S-Allylcysteine
5952789.10 5050550.79 2386069.95 8153084.34 11165374.61 8908828.21 13610632.09 6442190.91
Secobarbital
83140807.52 51526111.88 45844593.47 81315604.24 61542155.00 74654065.87 91049818.21 49643707.33
Secoisolariciresinol
1689946.04 5243494.22 7155032.58 1530533.62 1286345.03 1714160.88 1455827.87 8240689.61
Sorbitan laurate
2122707.24 84046215.73 2863436.23 5309642.31 7947999.71 2886157.36 5062189.79 32875390.54
Soyasaponin I
12986326.58 23870637.42 30978587.48 10959055.47 10178597.25 15106789.80 11622668.48 38535309.39
Spermidine
44500253.02 11556078.65 37264875.09 12419419.85 37010921.78 9250870.88 15355803.99 28505706.36
Sphinganine 1-phosphate
37609062.29 37943137.03 20212440.63 29883478.14 42242666.92 35282613.72 36655201.78 49176671.89
Sphingosine 1-phosphate
209682574.30 250570079.67 106118542.39 158537162.73 179532887.51 191248027.46 160111287.18 232961745.62
Stearoylcarnitine
13991421.35 31857910.89 12525688.67 42624472.15 33811835.55 19325132.17 33623142.46 14808592.95
Succinic acid
593261354.81 447025489.21 93445273.43 1216754775.61 1587709116.33 1365700007.95 2840311501.30 1406307944.91
Succinic anhydride
3983585.03 3005061.58 854743.80 9585101.90 18029871.63 11449251.20 28422071.04 16877177.75
Sucrose
8063578.72 5823103.33 29422717.25 12858013.23 51567288.56 17038270.90 31853392.40 12836128.70
Sulfoglycolithocholate(2-)
4047146.50 9087012.41 4954098.81 4366113.06 4295078.84 4586290.50 4261831.69 15326232.67
Suprofen
4756763.06 4571764.58 3361583.69 4724299.62 5949876.58 4264350.44 4688383.97 11604801.74
Taurine
250739746.69 427466035.52 196768884.25 147396672.04 202249874.81 127452725.90 123603276.52 249299088.90
Tentoxin
28126928.41 18563592.60 14086350.89 27371018.00 23211254.97 25595339.19 32602954.78 17339919.77
Tetraacetylethylenediamine
2102047.69 1550687.93 1648854.76 2685494.51 4945949.59 2073683.32 3845209.09 4049624.15
Tetradecanedioic acid
10122710.56 126881466.80 9846242.23 44258823.19 25203767.33 19833186.64 42066621.86 22089227.10
Tetrahydrocortisol
3250255.97 9898377.89 3707470.47 12108437.40 15691805.24 7176731.30 11440102.08 13530164.00
Theophylline
4827597.02 10690131.27 4646435.64 7692378.31 11071959.53 6765859.97 11427963.41 16041083.12
Thiomorpholine 3-carboxylate
5382516.06 6291998.39 6712012.88 8079989.86 10968602.56 8162719.57 7137331.88 5378363.31
Threonic acid
98180327.20 180131754.98 125509545.61 138614893.40 255173423.22 150771007.30 256563258.70 153462038.21
Thymidine
18099183.06 13456761.23 15200188.19 23395915.87 17330854.85 18058428.71 31822598.32 19552742.70
Thymine
9919101.76 7594836.19 9853117.80 11384125.56 13555851.25 7527945.67 13267657.86 12670216.47
Tiglylcarnitine
2010822.65 3254952.49 1665621.45 3101662.59 3666288.20 2377217.63 3066865.41 2782170.04
Toloxatone 
67028877.16 28765643.33 13172454.53 23222642.93 38673833.57 26446716.39 42200900.42 97275187.48
Tranexamic Acid
18947861.89 3927547.15 1936602.40 12204145.95 14230521.61 7094628.26 15994880.06 4374524.47
trans-2-Dodecenoylcarnitine
2302732.75 9405006.02 1885053.70 12046196.83 5848286.51 5817027.63 4270273.25 4249580.08
trans-Hexadec-2-enoyl carnitine
7873510.73 109421612.20 13786545.24 113011202.62 81870686.83 61334767.23 81652898.67 26704192.01
trans-Piceid
477020.32 996706.95 1229644.96 410486.21 484280.63 557772.98 588323.36 1229073.56
Traumatic acid
8955932.68 41121036.59 6542004.72 31360546.50 17769666.51 12689185.00 17805888.45 16662422.82
Traumatin
8340675.99 9227305.38 7266399.82 6602821.29 5564710.16 7164689.03 7573809.50 9194712.56
Tridecanedioic acid
6809595.24 12150759.13 7789376.79 8161949.35 6296542.04 7389088.77 8439076.42 8004389.12
Trifluoroacetic acid
435207120.73 437188518.21 428658781.74 441371890.76 414843706.38 430810395.06 402901799.15 424982776.60
Trimethadione
14820931.76 10384735.26 24887486.63 11537470.06 23212500.23 17341050.31 23015924.15 14605471.80
Troleandomycin
10323244.10 7761134.57 7371930.67 11333699.13 6535594.39 7752133.75 10234950.28 7801215.89
Tylvalosin
85477028.06 60922704.45 61634245.59 85344164.17 64282713.95 79944344.32 95823721.38 66800388.68
Uracil
36299258.83 38851684.60 25781895.96 53364364.45 57102260.49 47629018.81 64632478.54 77433906.99
Uric acid
516641359.82 652279609.42 319913735.67 800815330.78 1066165905.52 750483957.03 1355142090.71 1384696399.07
Valeroidine
692782.87 401923.78 261200.80 924129.53 2002561.69 586889.70 1697834.56 665424.85
Valine
826731684.23 879486694.56 690482784.75 503645966.12 778786007.98 517016803.28 692633373.67 753826619.17
Vanillin
3332456.75 3413938.88 3179176.72 3115566.58 2438564.68 2999084.34 3697559.70 3892637.54
Vigabatrin
523783013.14 730237052.83 431202561.32 310240317.47 541493068.27 323224942.89 395363231.11 604704995.28
Westiellamide
22898489.14 21351423.13 22057504.09 22419330.12 16956729.96 18524156.54 24925598.42 27318494.34
Xanthine
143693821.04 39518805.49 81313153.44 90382436.49 119474235.01 59917481.57 198689637.48 197051180.42
Zeranol
39988385.80 30316367.95 29151677.86 41277754.57 28924196.18 33295752.45 40862878.41 31094598.89

Factors:

F1Phenotype 1:Cervical dislocation | Phenotype 2:Non-drug related death | Phenotype 3:Non-drug related death
F2Phenotype 1:Drowning | Phenotype 2:Non-drug related death | Phenotype 3:Non-drug related death
F3Phenotype 1:Hemorrhagic shock | Phenotype 2:Non-drug related death | Phenotype 3:Non-drug related death
F4Phenotype 1:Lethal CLO poisoning | Phenotype 2:PER, OLA, CLO lethal poisoning | Phenotype 3:CPZ, PER, OLA, CLO lethal poisoning
F5Phenotype 1:Lethal CPZ poisoning | Phenotype 2:Lethal CPZ poisoning | Phenotype 3:CPZ, PER, OLA, CLO lethal poisoning
F6Phenotype 1:Lethal OLA poisoning | Phenotype 2:PER, OLA, CLO lethal poisoning | Phenotype 3:CPZ, PER, OLA, CLO lethal poisoning
F7Phenotype 1:Lethal PER poisoning | Phenotype 2:PER, OLA, CLO lethal poisoning | Phenotype 3:CPZ, PER, OLA, CLO lethal poisoning
F8Phenotype 1:Mechanical asphyxia | Phenotype 2:Non-drug related death | Phenotype 3:Non-drug related death
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