Data for ST002498   

(Analysis AN004656): Average values per metabolite and experimental factor (Units:peak area)

Metabolite structureAll dataF1F2
10-heptadecenoate (17:1n7)
17913471.46 18923039.12
10-nonadecenoate (19:1n9)
8565128.83 8999209.20
10-undecenoate (11:1n1)
3339002.63 3471716.38
11beta-hydroxyandrosterone glucuronide
298058.65 330789.90
11beta-hydroxyetiocholanolone glucuronide*
130809.96 126039.56
11-ketoetiocholanolone glucuronide
213744.22 135707.70
12,13-DiHOME
235876.11 213509.52
1,2,3-benzenetriol sulfate (1)
169113.47 172971.48
1,2,3-benzenetriol sulfate (2)
5159262.14 4756831.26
1,3,7-trimethylurate
260839.52 263613.43
1,3-dimethylurate
237124.58 229460.11
13-HODE + 9-HODE
1626635.29 1540724.18
(14 or 15)-methylpalmitate (a17:0 or i17:0)
14952124.17 15276065.57
1,5-anhydroglucitol (1,5-AG)
27978410.94 26595618.42
16alpha-hydroxy DHEA 3-sulfate
1052086.55 1175854.58
16-hydroxypalmitate
1062414.98 1156166.93
(16 or 17)-methylstearate (a19:0 or i19:0)
1378791.55 1421694.84
17alpha-hydroxypregnanolone glucuronide
226312.78 226670.56
17alpha-hydroxypregnenolone 3-sulfate
49486.62 56186.71
1,7-dimethylurate
1253405.77 1155582.31
1-arachidonoyl-GPI (20:4)*
2730763.20 2837981.17
1-arachidonylglycerol (20:4)
235876.49 257375.24
1-hydroxy-2-naphthalenecarboxylate
998882.79 900547.95
1-linoleoylglycerol (18:2)
2213413.16 2264172.09
1-linoleoyl-GPC (18:2)
57138906.42 55607177.14
1-linoleoyl-GPG (18:2)*
184115.09 190948.89
1-linoleoyl-GPI (18:2)*
1249554.22 1290932.51
1-methylhistidine
156759.36 162411.39
1-oleoylglycerol (18:1)
2601349.91 2520733.68
1-oleoyl-GPG (18:1)*
445195.68 465391.47
1-oleoyl-GPI (18:1)
763345.92 770211.31
1-palmitoyl-GPG (16:0)*
135570.74 137295.11
1-palmitoyl-GPI (16:0)
308973.34 306563.94
1-stearoyl-GPI (18:0)
1362459.79 1383778.44
1-stearoyl-GPS (18:0)*
72318.33 68944.77
21-hydroxypregnanolone monosulfate (2)
39725.94 42381.96
21-hydroxypregnenolone disulfate
482105.08 533517.51
2,3-dihydroxy-2-methylbutyrate
332234.07 345925.75
2,3-dihydroxy-5-methylthio-4-pentenoate (DMTPA)*
1294128.00 1281938.78
2,3-diphosphoglycerate
87636.88 55710.51
2,4,6-trihydroxybenzoate
86155.58 86467.35
2,4-dichlorophenol sulfate
143924.85 380255.77
2,4-di-tert-butylphenol
30659926.16 31338155.79
(2,4 or 2,5)-dimethylphenol sulfate
150172.45 203041.46
2,6-dihydroxybenzoic acid
8072184.74 8169112.76
2-acetamidophenol sulfate
429251.00 351478.67
2-aminoadipate
147700.59 146415.13
2-aminooctanoate
136327.55 130160.35
2-aminophenol sulfate
1488708.59 1266036.85
2-butenoylglycine
149011.34 172772.39
2^-deoxyuridine
134836.30 137433.19
2-ethylphenylsulfate
108093.87 196879.72
2-furoic acid
372299.68 256141.64
2-hydroxy-3-methylvalerate
480373.43 530915.60
2-hydroxyacetaminophen sulfate*
4874679.91 3137498.01
2-hydroxydecanoate
1508303.10 1246260.58
2-hydroxyhippurate (salicylurate)
1757448.76 1947287.09
2-hydroxyibuprofen
484911.10 683481.11
2-hydroxylaurate
263140.37 295138.99
2-hydroxynervonate*
997599.09 1011731.93
2-hydroxyoctanoate
389734.94 370417.07
2-hydroxypalmitate
21426129.14 21552982.10
2-hydroxyphenylacetate sulfate
183677.59 146556.05
2-hydroxyphytanate*
2568675.07 2783030.31
2-hydroxysebacate
134069.69 111110.70
2-hydroxystearate
7829360.38 7893312.80
2-ketocaprylate
916489.12 895516.24
2-linoleoylglycerol (18:2)
360951.35 359619.13
2-methoxyacetaminophen glucuronide*
957143.05 1020121.82
2-methoxyacetaminophen sulfate*
1546956.93 1345731.82
2-methoxyhydroquinone sulfate (1)
296885.51 256719.99
2-methoxyhydroquinone sulfate (2)
133915.81 97530.73
2-methoxyresorcinol sulfate
255981.14 272118.04
2-methylcitrate/homocitrate
803037.77 823659.42
2-naphthol sulfate
234052.58 247775.20
2-oleoylglycerol (18:1)
735888.53 643313.67
2^-O-methyluridine
36594.19 38482.32
(2 or 3)-decenoate (10:1n7 or n8)
494609.30 540238.97
2-palmitoleoyl-GPC (16:1)*
271531.42 273367.08
2-palmitoyl-GPC (16:0)*
10670312.26 10058414.01
2-propyl-2-pentenoate (2-ene-valproate)
68003827.00 -
2-propyl-4-pentenoate (4-ene-valproate)
2912952.00 -
2-stearoyl-GPE (18:0)*
1841068.34 2016524.75
3-(3-amino-3-carboxypropyl)uridine*
33544.31 32293.51
3-(3-hydroxyphenyl)propionate
581641.45 584015.37
3-(3-hydroxyphenyl)propionate sulfate
138909.86 138150.81
3-(4-hydroxyphenyl)lactate
6307199.72 6341431.04
3,5-dichloro-2,6-dihydroxybenzoic acid
1383405.88 1430628.41
3,7-dimethylurate
165816.36 160237.29
3-acetylphenol sulfate
248947.24 232301.96
3beta,7alpha-dihydroxy-5-cholestenoate
1997590.75 2149548.76
3beta,7beta-dihydroxy-5-cholestenoate
816630.56 838165.98
3beta-hydroxy-5-cholenoate
57805.91 57672.84
3beta-hydroxy-5-cholestenoate
1194259.42 1217129.92
3-bromo-5-chloro-2,6-dihydroxybenzoic acid*
675286.94 692504.51
3-carboxy-4-methyl-5-pentyl-2-furanpropionate (3-CMPFP)**
14452731.71 14310952.56
3-carboxy-4-methyl-5-propyl-2-furanpropanoate (CMPF)
60816113.83 61195212.74
3-ethylcatechol sulfate (1)
323053.92 338218.43
3-ethylcatechol sulfate (2)
145287.01 143568.80
3-hydroxy-2-ethylpropionate
875259.18 914240.37
3-hydroxy-2-methylpyridine sulfate
1273856.62 1013705.88
3-hydroxydecanoate
939247.53 1015331.89
3-hydroxydodecanedioate*
151343.41 168728.34
3-hydroxyhippurate
1481261.54 1569191.26
3-hydroxyhippurate sulfate
280466.77 242707.89
3-hydroxylaurate
1108553.58 1210979.89
3-hydroxymyristate
2024680.82 2100613.17
3-hydroxyoctanoate
704777.45 766113.94
3-hydroxyoleate*
7060649.45 7619527.37
3-hydroxypyridine sulfate
9494933.06 8862728.33
3-hydroxysebacate
150402.62 156151.79
3-hydroxyvalproate
13039035.00 -
3-indoleglyoxylic acid
90934.75 89757.48
3-indoxyl sulfate
19451366.38 21168531.85
3-methoxycatechol sulfate (1)
2920307.57 2745276.38
3-methoxycatechol sulfate (2)
218016.26 209866.88
3-methoxytyramine sulfate
34445.06 97719.61
3-methyl-2-oxobutyrate
9922040.35 10015299.42
3-methyl-2-oxovalerate
30303527.29 31412282.71
3-methyl catechol sulfate (1)
4612841.51 4538004.67
3-methyl catechol sulfate (2)
342969.96 293760.11
3-methylhistidine
4069275.06 3953544.14
3-(methylthio)acetaminophen sulfate*
3782628.19 2116447.58
3-methylxanthine
1783694.94 1707499.42
3-(N-acetyl-cystein-S-yl) acetaminophen
1068794.12 941666.18
3-phenylpropionate (hydrocinnamate)
657901.68 590934.72
4-acetamidobenzoate
490105.86 595026.83
4-acetamidophenol
8373522.25 11845959.78
4-acetamidophenylglucuronide
10669660.74 9374015.41
4-acetaminophen sulfate
16768535.70 10900176.14
4-acetylcatechol sulfate (1)
546300.93 402291.72
4-acetylcatechol sulfate (2)
207752.35 154883.76
4-acetylphenol sulfate
170898.50 162412.60
4-allylcatechol sulfate
1295312.95 1783130.55
4-allylphenol sulfate
1817860.58 3489395.94
4-chlorobenzoic acid
190069.19 192086.20
4-ethylcatechol sulfate
4148255.06 3866433.59
4-ethylphenylsulfate
3868701.03 3611379.06
4-hydroxychlorothalonil
4582967.08 4649038.58
4-hydroxycoumarin
191030.07 221865.96
4-hydroxy duloxetine glucuronide*
2076082.00 2076082.00
4-hydroxyhippurate
1572813.22 1308616.10
4-hydroxyphenylacetate
236119.11 192104.56
4-hydroxyphenylacetylglutamine
253013.54 121338.67
4-hydroxyphenylpyruvate
935178.19 992891.14
4-methoxyphenol sulfate
190805.22 187057.31
4-methyl-2-oxopentanoate
50027728.17 51950011.45
4-methylbenzenesulfonate
78813.57 53648.96
4-methylcatechol sulfate
10914567.26 10177152.01
4-methylguaiacol sulfate
217817.35 218390.10
4-methylhexanoylglutamine
89099.49 71239.94
4-vinylguaiacol glucuronide
128745.19 84358.96
4-vinylguaiacol sulfate
1219517.00 997383.61
4-vinylphenol sulfate
8180234.51 7922431.04
5,6-dihydrouridine
1197506.53 1209451.99
5alpha-androstan-3alpha,17alpha-diol monosulfate
104945.24 104451.40
5alpha-androstan-3alpha,17beta-diol 17-glucuronide
41451.13 45409.59
5alpha-androstan-3alpha,17beta-diol disulfate
257774.11 249710.01
5alpha-androstan-3alpha,17beta-diol monosulfate (1)
223258.35 208875.52
5alpha-androstan-3alpha,17beta-diol monosulfate (2)
804386.43 835065.95
5alpha-androstan-3beta,17alpha-diol disulfate
236207.51 282972.56
5alpha-androstan-3beta,17beta-diol disulfate
3366541.79 3834517.88
5alpha-androstan-3beta,17beta-diol monosulfate (2)
122765.63 122592.38
5alpha-pregnan-3beta,20alpha-diol disulfate
517334.36 636086.56
5alpha-pregnan-3beta,20alpha-diol monosulfate (2)
137785.26 161258.38
5alpha-pregnan-3beta,20beta-diol monosulfate (1)
159791.64 180406.51
5-dodecenoate (12:1n7)
2506196.53 2723655.15
5-hydroxy-2-methylpyridine sulfate
1367125.87 1310189.33
5-hydroxy-6-methoxy duloxetine sulfate*
1242707.00 1242707.00
5-hydroxyvalproate
4595442.00 -
5-methyluridine (ribothymidine)
557588.81 557956.37
5-oxoproline
8630094.60 8578986.60
6-bromotryptophan
236944.95 239372.64
6-hydroxyindole sulfate
718316.78 741365.51
6-hydroxywarfarin
857424.67 778837.62
6-oxopiperidine-2-carboxylate
386053.09 401231.05
7alpha-hydroxy-3-oxo-4-cholestenoate (7-Hoca)
2678136.84 2784906.52
9,10-DiHOME
318022.52 275039.52
9-hydroxystearate
766704.42 781222.97
acesulfame
6217300.79 5355862.36
acisoga
97496.03 97580.53
aconitate [cis or trans]
11866787.62 11986672.69
adrenate (22:4n6)
11832219.57 12920641.84
allopurinol
932591.01 1094149.00
allopurinol riboside
1779711.21 999494.68
alpha-CEHC
109402.20 96966.46
alpha-CEHC glucuronide*
115556.69 97814.35
alpha-CEHC sulfate
376513.55 302137.70
alpha-CMBHC glucuronide
67511.38 70272.03
alpha-hydroxycaproate
83738.44 87397.22
alpha-hydroxyisocaproate
425584.53 430444.87
alpha-hydroxyisovalerate
5791067.56 6517670.98
amoxicillin
25602652.07 10863157.91
androstenediol (3alpha, 17alpha) monosulfate (2)
145219.41 146507.14
androstenediol (3alpha, 17alpha) monosulfate (3)
1114655.29 1139365.56
androstenediol (3beta,17beta) disulfate (1)
19873375.34 22970928.16
androstenediol (3beta,17beta) disulfate (2)
4440260.00 4718971.92
androstenediol (3beta,17beta) monosulfate (1)
1331370.85 1411388.60
androstenediol (3beta,17beta) monosulfate (2)
198320.55 212326.38
andro steroid monosulfate C19H28O6S (1)*
103210.40 123150.42
androsterone glucuronide
518304.35 426579.73
androsterone sulfate
8523429.18 8675910.37
anserine
138528.83 514068.50
arachidate (20:0)
11279453.01 11387711.37
arachidonate (20:4n6)
64854003.33 67854186.16
atazanavir
4332156.00 -
atorvastatin
165531.77 202153.45
azelate (C9-DC)
229510.21 209795.00
behenate (22:0)*
4891873.78 4298614.96
benazeprilat
839542.97 1520282.28
benzoate
748252.62 750775.75
beta-citrylglutamate
93703.64 97402.52
beta-hydroxyisovalerate
1670642.00 1431688.69
bilirubin degradation product, C16H18N2O5 (1)**
378947.52 425420.18
bilirubin degradation product, C16H18N2O5 (2)**
325881.23 360196.95
bilirubin degradation product, C16H18N2O5 (3)**
168362.34 191008.28
bilirubin degradation product, C16H18N2O5 (4)**
180311.34 202360.27
bilirubin degradation product, C17H18N2O4 (1)**
577956.80 601111.81
bilirubin degradation product, C17H18N2O4 (2)**
2676553.97 2787620.50
bilirubin degradation product, C17H18N2O4 (3)**
2502766.62 2601999.83
bilirubin degradation product, C17H20N2O5 (1)**
1345683.35 1485784.17
bilirubin degradation product, C17H20N2O5 (2)**
1650343.95 1801830.10
branched chain 14:0 dicarboxylic acid**
1000874.64 924265.38
branched-chain, straight-chain, or cyclopropyl 10:1 fatty ac...
1050187.83 1050291.11
branched-chain, straight-chain, or cyclopropyl 10:1 fatty ac...
702200.87 719859.65
branched-chain, straight-chain, or cyclopropyl 12:1 fatty ac...
3441158.32 3652384.28
butyrate/isobutyrate (4:0)
598961.85 583747.76
caprate (10:0)
10914053.63 11663591.13
caproate (6:0)
1421942.79 1488510.49
caprylate (8:0)
5253398.93 5252147.90
carbamazepine glucuronide*
1297990.00 -
carboxyibuprofen
375479.07 427078.76
catechol glucuronide
120277.05 92731.26
catechol sulfate
25938057.08 26057655.84
cefpodoxime
2566952.97 3663282.02
celecoxib
9692442.72 3066908.64
C-glycosyltryptophan
174777.16 173085.10
chlorothiazide
2451229.50 -
chlorthalidone
2692122.44 2576773.28
cholate
656853.83 1693289.31
cholic acid glucuronide
68271.29 119382.81
cinnamoylglycine
878144.28 760345.89
ciprofloxacin
15055764.00 15663566.25
cis-3,4-methyleneheptanoate
1026538.91 1012853.82
cis-3,4-methyleneheptanoylglycine
170900.58 175751.85
cis-4-decenoate (10:1n6)*
2493874.65 2844416.68
citalopram propionate*
368944.19 362544.97
citrate
193006686.99 193216744.15
cortisol
485682.25 489691.39
cortisone
172184.99 173450.93
cortolone glucuronide (1)
130646.37 129551.57
daidzein sulfate (2)
708094.69 813377.46
dehydroepiandrosterone sulfate (DHEA-S)
17871154.74 18817271.66
delta-CEHC
86736.37 80346.40
delta-CEHC glucuronide
73237.74 59162.29
deoxycholic acid 12-sulfate*
200276.29 210410.64
deoxycholic acid glucuronide
246173.07 320922.70
desmethylnaproxen
21816.37 206275.30
desmethylnaproxen sulfate
198743.97 2608359.82
dexamethasone
- 849374.00
dexlansoprazole
2977134.75 6298944.39
dibutyl sulfosuccinate
764918.58 478498.70
dihomo-linoleate (20:2n6)
20056813.64 20938202.24
dihomo-linolenate (20:3n3 or n6)
21567287.88 22912800.38
dihydroferulic acid sulfate
260953.31 157411.25
docosadienoate (22:2n6)
733716.75 784374.14
docosadioate (C22-DC)
480248.87 470082.95
docosahexaenoate (DHA; 22:6n3)
45627956.84 48507536.33
docosapentaenoate (n3 DPA; 22:5n3)
13289397.37 14238598.73
docosapentaenoate (n6 DPA; 22:5n6)
5162553.78 5516265.05
dodecadienoate (12:2)*
1857320.55 1934126.46
dodecanedioate (C12-DC)
597313.95 595018.45
dodecenedioate (C12:1-DC)*
264426.32 262876.36
dopamine 3-O-sulfate
712176.20 831687.14
dopamine 4-sulfate
291354.58 343247.40
EDTA
912588527.38 904809110.74
eicosanedioate (C20-DC)
1022414.88 1045462.35
eicosapentaenoate (EPA; 20:5n3)
11678480.54 12094838.83
eicosenedioate (C20:1-DC)*
857792.87 940255.25
eicosenoate (20:1)
30307347.98 31319946.78
emtricitabine
102924.65 278878.34
enterolactone sulfate
100559.22 128865.41
epiandrosterone sulfate
3541420.48 3780590.65
equol sulfate
195844.35 91033.85
erucate (22:1n9)
3799764.80 4262926.13
ethyl alpha-glucopyranoside
411478.44 553245.34
ethyl beta-glucopyranoside
1653105.30 1204322.05
ethyl glucuronide
431099.77 515200.88
ethyl maltol sulfate
200349.73 642730.28
ethylparaben sulfate
961107.72 738538.16
etiocholanolone glucuronide
286329.54 266238.08
etravirine
- 67044190.00
eugenol sulfate
565525.34 1051907.23
ezetimibe glucuronide*
455496.23 917565.29
ferulic acid 4-sulfate
387685.85 304822.52
feruloylquinate (4)
194126.60 141963.71
ferulylglycine (1)
155331.99 123342.97
ferulylglycine (2)
106716.03 85982.60
fibrinopeptide A*
572606.02 163273.14
fibrinopeptide A, des-ala(1)*
768638.50 329420.35
fibrinopeptide A, phosphono-ser(3)*
247580.16 44943.75
fibrinopeptide B (1-13)**
737322.97 84899.25
fucitol
250897.17 268435.46
furaneol sulfate
141490.46 104073.57
furosemide
973682.30 1181337.09
gabapentin
6068489.00 6068489.00
gamma-CEHC
370156.88 349314.57
gamma-CEHC glucuronide*
87098.77 77401.25
gamma-glutamyltyrosine
91626.58 93111.00
genistein sulfate*
433934.22 304164.69
gliclazide
- 41210278.00
glimepiride
945115.81 1034847.19
glipizide
2730176.35 6641434.10
glucuronide of C10H14O2 (4)*
511738.25 82475.45
glucuronide of C10H14O2 (7)*
312687.16 124376.67
glucuronide of C10H18O2 (1)*
809403.24 393555.53
glucuronide of C10H18O2 (2)*
114162.18 454820.69
glucuronide of C10H18O2 (3)*
79760.17 335975.35
glucuronide of C10H18O2 (6)*
46448.81 162265.25
glucuronide of C10H18O2 (7)*
2758219.44 760591.43
glucuronide of C10H18O2 (8)*
1164211.39 322084.79
glucuronide of C12H22O4 (1)*
130575.73 104291.71
glucuronide of C12H22O4 (2)*
89970.85 57175.26
glucuronide of C14H22O4 (2)*
49211.07 74042.09
glucuronide of C14H26O4 (1)*
115108.88 81376.71
glucuronide of C14H26O4 (2)*
95002.88 69068.52
glucuronide of C19H28O4 (1)*
86834.74 76251.93
glucuronide of piperine metabolite C17H21NO3 (3)*
90216.90 92756.97
glucuronide of piperine metabolite C17H21NO3 (4)*
351570.05 388186.93
glucuronide of piperine metabolite C17H21NO3 (5)*
126871.61 138477.64
glutamine conjugate of C6H10O2 (2)*
585331.22 406545.36
glutamine conjugate of C7H12O2*
450359.93 294188.38
glyburide
441068.05 547032.58
glycerol
4190293.37 4355710.86
glycine conjugate of C10H12O2*
77021.43 77384.10
glycine conjugate of C10H14O2 (1)*
430743.73 436668.64
glyco-beta-muricholate**
143801.20 186035.19
glycochenodeoxycholate
10772365.63 12102951.06
glycochenodeoxycholate 3-sulfate
858358.83 953696.92
glycochenodeoxycholate glucuronide (1)
617971.27 696989.99
glycocholate
2362903.78 2953263.52
glycocholenate sulfate*
2990446.20 3297298.58
glycodeoxycholate 3-sulfate
1034585.55 1061910.29
glycohyocholate
128888.59 136396.88
glycolithocholate
424270.72 431687.71
glycolithocholate sulfate*
3340940.73 3653949.02
glycoursodeoxycholate
1347901.84 1213335.70
glycoursodeoxycholate glucuronide (2)
63681.15 59631.31
glycoursodeoxycholic acid sulfate (1)
612542.85 617897.87
guaiacol sulfate
4146643.04 3988430.18
guaifenesin
1514372.32 392363.05
heneicosapentaenoate (21:5n3)
338723.74 391782.67
hexadecadienoate (16:2n6)
4701292.22 4917449.18
hexadecanedioate (C16-DC)
678598.91 714861.22
hexadecenedioate (C16:1-DC)*
458228.30 454535.39
hexanoylglutamine
232991.24 220556.37
hexanoylglycine
98218.77 100240.50
hippurate
42041947.22 40355338.25
histidine
19976289.06 20532267.62
hydrochlorothiazide
3697398.35 3268009.34
hydroquinone sulfate
165322.24 153083.77
hydroxy-CMPF*
29093543.96 25300923.90
hydroxypioglitazone (M-IV)
9123493.50 9928063.96
hyocholate (gamma-muricholate)
107605.96 122002.22
ibuprofen
1216284.52 2276407.62
ibuprofen acyl glucuronide
244700.43 313651.90
indapamide
1072957.00 1072957.00
indoleacetate
1845176.71 1790563.12
indoleacetylglutamine
161945.59 82162.61
indolelactate
7024237.67 7158502.06
indolepropionate
1853546.52 1301567.04
indolepropionylglycine
66043.34 75770.16
indoxyl glucuronide
408014.40 171482.96
inosine
43421.78 49657.63
isobutyrylglycine
167664.05 184376.88
isoeugenol sulfate
122276.01 133708.28
isoleucylglycine
559442.88 598609.28
isoursodeoxycholate
767741.86 568062.40
isoursodeoxycholate sulfate (1)
155031.82 130566.84
isovalerate (i5:0)
1008137.48 1020364.56
isovalerylglycine
175690.42 172588.05
I-urobilinogen
116047.90 108036.11
kynurenate
662986.16 634235.90
lactate
162094677.96 164298614.62
laurate (12:0)
27246099.74 28609218.90
leukotriene B4
91498.75 97211.56
levetiracetam
191642.04 72258.24
levulinate (4-oxovalerate)
518115.37 571251.28
linoleate (18:2n6)
988934063.43 1013394783.23
linolenate [alpha or gamma; (18:3n3 or 6)]
106920193.73 107667198.87
linoleoyl ethanolamide
151979.65 157440.34
lisinopril
321238.22 240085.16
lithocholate sulfate (1)
256246.14 281086.16
malate
8644787.04 8572155.07
maltol sulfate
203137.66 137751.65
margarate (17:0)
43070965.83 44309108.14
metabolonic lactone sulfate
288935.32 324492.98
methyl-4-hydroxybenzoate sulfate
3749925.42 3951761.42
methyl glucopyranoside (alpha + beta)
292306.65 218514.03
methylnaphthyl sulfate (1)*
92692.69 122450.89
methylnaphthyl sulfate (2)*
134450.19 178762.35
methyl vanillate sulfate
106436.47 104998.25
m-tyramine sulfate
42925.33 45118.88
mycophenolic acid
46733524.00 136734562.00
mycophenolic acid glucuronide
102523909.00 122448447.00
myristate (14:0)
140204896.30 147435937.14
myristoleate (14:1n5)
15385884.14 16757699.62
N1-methyl-2-pyridone-5-carboxamide
7326742.08 6697590.50
N-(2-furoyl)glycine
1909887.75 1207115.32
N2,N5-diacetylornithine
103949.33 114191.67
N4-acetyl-5-hydroxysulfamethoxazole*
8050211.75 9595135.00
N4-acetylcytidine
107459.69 107197.02
N4-acetylsulfamethoxazole*
103756633.88 162733939.47
N6-acetyllysine
230626.03 234749.98
N6-carbamoylthreonyladenosine
71912.77 69114.09
N-acetyl-2-aminooctanoate*
536242.57 576169.56
N-acetyl-3-methylhistidine*
107591.16 96565.38
N-acetylalliin
329749.67 258023.51
N-acetylaspartate (NAA)
3842685.20 3802033.87
N-acetyl-beta-alanine
179738.89 176450.48
N-acetylcitrulline
173612.84 191174.94
N-acetylglutamine
124674.34 131568.12
N-acetylkynurenine (2)
66016.67 68667.48
N-acetylleucine
126450.88 134933.13
N-acetylmethionine
830399.46 892050.48
N-acetylphenylalanine
242891.46 262324.45
N-acetyltaurine
338913.52 352492.27
N-acetylthreonine
3033413.99 2998906.04
N-acetyltryptophan
139515.53 144725.55
N-acetyltyrosine
107146.11 113665.50
N-acetylvaline
159843.96 167756.32
naproxen
586582.48 4562759.39
naringenin 7-glucuronide
107539.07 138657.33
N-delta-acetylornithine
822518.58 821047.30
N-formylmethionine
1461757.54 1497252.23
N-formylphenylalanine
91665.71 92194.59
N-lactoyl isoleucine
98555.79 101656.17
N-lactoyl leucine
99385.58 103544.53
N-lactoyl phenylalanine
301666.31 305261.70
N-lactoyl tyrosine
53564.89 51629.14
N-lactoyl valine
261649.56 269365.70
N-oleoylserine
134820.99 136453.00
N-oleoyltaurine
169647.34 161458.47
nonadecanoate (19:0)
3042518.38 3156461.47
N-palmitoylglycine
295220.07 311444.90
N-palmitoylserine
329294.53 342893.15
N-stearoyltaurine
78964.34 80650.89
o-cresol sulfate
311491.18 419631.85
octadecadienedioate (C18:2-DC)*
1239304.66 1220237.97
octadecanedioate (C18-DC)
907359.28 955812.86
octadecenedioate (C18:1-DC)
5695581.82 5157909.93
o-hydroxyatorvastatin
220131.49 206993.60
oleate/vaccenate (18:1)
1902345221.34 1931896058.59
olmesartan
1267224.76 2708413.82
omeprazole
5051512.85 3513138.27
O-sulfo-tyrosine
603369.17 590229.87
oxalate (ethanedioate)
7879997.97 7774703.90
palmitate (16:0)
1554411792.57 1618232338.22
palmitoleate (16:1n7)
193263207.36 208911256.38
pantoate
263656.21 296471.53
pantoprazole
1241760.00 3555344.00
pantothenate
6489940.07 6625442.64
paraxanthine
1287345.31 1234925.36
p-cresol glucuronide*
485777.55 505072.51
p-cresol sulfate
167813088.60 179404185.53
pentadecanoate (15:0)
43377834.55 44312552.65
perfluorooctanesulfonate (PFOS)
4819744.88 4322062.78
phenol glucuronide
99384.53 126527.41
phenol sulfate
45424703.38 52653732.82
phenylacetate
88980.07 98700.26
phenylacetylglutamate
152600.28 103411.97
phenylacetylglycine
125311.18 109315.65
phenylacetylmethionine
106900.64 70028.88
phenylacetylthreonine
78550.67 52767.23
phenyllactate (PLA)
830227.90 897206.42
phenylpyruvate
154640.87 157540.02
phytanate
3653064.05 3734791.83
picolinoylglycine
167442.86 145558.49
pregnanediol-3-glucuronide
137097.99 147724.61
pregnanolone/allopregnanolone sulfate
91525.62 83789.26
pregnenediol disulfate (C21H34O8S2)*
9167655.67 10316497.97
pregnenediol sulfate (C21H34O5S)*
2750480.14 3031977.87
pregnenetriol disulfate*
2132469.08 2353663.54
pregnenetriol sulfate*
1361709.62 1466819.41
pregnenolone sulfate
579779.92 640784.27
propyl 4-hydroxybenzoate sulfate
969861.79 952598.81
pseudouridine
3132754.77 3132145.56
pyridoxate
13212481.92 11146775.03
pyrraline
154268.49 141202.66
raltegravir
- 5725418.50
resveratrol disulfate (1)*
3034062.66 1978409.49
resveratrol disulfate (2)*
1357832.91 1021131.55
resveratrol glucuronide (1)*
362600.00 362600.00
resveratrol glucuronide (2)*
124940.00 124940.00
resveratrol sulfate (1)*
1479345.22 211301.81
resveratrol sulfate (2)*
86793.06 81692.58
rosiglitazone
1724140.00 -
rosuvastatin
160168.48 240709.88
saccharin
1130477.15 943099.90
salicyluric glucuronide*
270908.09 479608.54
sebacate (C10-DC)
182933.67 184331.22
S-methylcysteine
269252.27 269753.13
stearate (18:0)
836106231.39 862540092.97
stearidonate (18:4n3)
1848711.99 2198276.17
succinimide
468250.23 428687.82
sulfamethoxazole
128999376.15 160074758.83
sulfate*
41530966.13 42297453.45
sulfate of piperine metabolite C16H17NO3 (1)*
67484.14 76060.47
sulfate of piperine metabolite C16H19NO3 (2)*
751824.92 762646.36
sulfate of piperine metabolite C16H19NO3 (3)*
315986.56 325117.47
sulfate of piperine metabolite C18H21NO3 (1)*
213509.09 221321.57
sulfate of piperine metabolite C18H21NO3 (3)*
140131.42 141879.17
syringol sulfate
331417.00 819492.00
tadalafil
160599.61 226716.68
tartarate
1057472.34 995125.40
tartronate (hydroxymalonate)
973146.51 934402.80
tauro-beta-muricholate
88357.00 118572.07
taurochenodeoxycholate
1116342.11 1372721.34
taurochenodeoxycholic acid 3-sulfate
262233.70 249637.43
taurocholate
419407.69 588281.89
taurocholenate sulfate*
1142780.07 1138864.50
taurodeoxycholate
1174331.90 1040253.29
taurodeoxycholic acid 3-sulfate
244498.81 227984.68
taurolithocholate 3-sulfate
1447263.35 1385616.46
tauroursodeoxycholate
91972.09 90711.04
tauroursodeoxycholic acid sulfate (1)
272964.61 195711.21
tauroursodeoxycholic acid sulfate (2)
87332.77 99464.87
tenofovir
716940.83 706064.81
testosterone sulfate
192198.85 151399.24
tetradecadienedioate (C14:2-DC)*
290944.53 325709.11
tetradecadienoate (14:2)*
4640907.27 5165583.60
tetradecanedioate (C14-DC)
607170.66 671840.91
tetrahydrocortisol glucuronide
226553.08 228959.95
THC carboxylic acid
862828.02 256650.75
THC carboxylic acid glucuronide
1082673.32 1163761.55
theophylline
4862095.14 4829625.58
thymol sulfate
8471003.70 9744610.64
thyroxine
231034.64 232507.47
trans-2-hexenoylglycine
177521.60 180588.90
trans-3,4-methyleneheptanoate
406475.92 405168.71
triclosan sulfate
1789456.22 2276392.71
tridecenedioate (C13:1-DC)*
1208225.96 1304535.07
tyramine O-sulfate
120488.98 153616.65
umbelliferone sulfate
921589.44 815380.45
urate
69932472.49 70423616.91
uridine
8204601.85 8016238.05
ursodeoxycholate
329861.97 510841.35
valerate (5:0)
307931.59 298505.21
valine
37065565.03 37590633.37
valproate
2122483287.00 -
valproic acid glucuronide
56197.96 60551.97
valsartan
38437147.49 204205583.16
valylglycine
131582.20 180117.15
vanillactate
113834.70 167234.76
vanillic alcohol sulfate
287581.79 242135.96
vanilloylglycine
495833.89 292771.01
vanillylmandelate (VMA)
231232.54 229096.32
warfarin
23631567.79 40998969.11
X-07765
3532612.31 3464828.64
X-10458
155785.09 166411.88
X-11299
3789954.23 3476644.89
X-11308
2847027.13 3006711.17
X-11315
404634.49 374104.41
X-11372
19351218.81 20544860.88
X-11378
22376681.53 23513955.83
X-11381
1368054.24 1390544.12
X-11444
887180.09 963044.91
X-11470
272301.92 306262.83
X-11478
3130868.91 2904894.76
X-11483
411491.81 359284.04
X-11632
177736.44 182710.61
X-11787
728062.91 734359.77
X-11843
837862.03 1051389.63
X-11847
1962553.08 1919832.82
X-11849
1689723.54 1649012.40
X-11850
888754.04 1041577.32
X-11852
1160299.48 1328720.60
X-11858
1427685.64 1404720.45
X-11880
12081448.88 13535046.59
X-12007
625574.37 572248.46
X-12013
325562.51 375901.26
X-12015
137537.15 141946.20
X-12026
115841.01 115914.99
X-12104
94815.57 91474.34
X-12111
397985.01 286479.31
X-12193
133371.78 132910.69
X-12216
709618.76 745138.83
X-12221
271417.75 292734.15
X-12261
94635.55 114641.56
X-12306
154939.89 124435.50
X-12407
1151149.85 1007315.22
X-12410
157517.59 190688.45
X-12411
212562.47 221930.08
X-12456
158538.60 191057.63
X-12543
1596145.11 1919798.08
X-12544
576953.40 467122.49
X-12701
258026.20 248716.94
X-12707
196473.17 202497.87
X-12714
200970.32 138130.39
X-12718
107653.15 111353.62
X-12726
146375.32 111709.36
X-12729
481707.66 529731.86
X-12730
1167724.74 1113022.59
X-12731
238986.59 231351.58
X-12738
632990.64 481567.45
X-12740
940670.97 911285.84
X-12812
376419.39 179740.58
X-12816
714625.54 691925.16
X-12818
130588.18 126547.44
X-12822
99508.71 102206.89
X-12823
128039.06 107825.73
X-12830
210859.03 204264.95
X-12834
74567.17 70777.02
X-12844
650432.70 680906.39
X-12847
716368.14 779753.07
X-12849: ret for 64873
1103863.91 1236473.10
X-12851
759722.85 674606.31
X-12906
332471.84 293199.53
X-13007
70137.16 70979.11
X-13553
148214.69 155871.61
X-13658
179989.27 195734.45
X-13695
157468.13 132017.39
X-13726
414115.85 372111.71
X-13728
638695.03 638899.50
X-13729
209073.12 213612.70
X-13835
675720.23 613951.60
X-13844
242371.49 220162.35
X-13846
148166.71 114471.36
X-13866
679293.59 682451.62
X-13879
178325.40 173440.41
X-14904
132098.85 107115.10
X-14939
1577649.09 1511325.01
X-15220
52231.55 52791.70
X-15486
506882.54 449393.56
X-15503
275594.46 245229.59
X-15523
2273016.00 1174553.80
X-15728
577556.23 709676.86
X-16087
139221.39 155837.12
X-16124
1965192.09 1601347.10
X-16576
465338.50 527408.77
X-16649
1041951.87 796834.27
X-16935
219788.40 239475.90
X-16964
725781.22 740539.01
X-17010
76676.72 75770.52
X-17137
24636983.00 -
X-17146
893117.46 1081168.29
X-17185: ret for 64579
3382802.11 3018390.89
X-17325
183361.45 224789.15
X-17340: ret for 64591
112071.16 117012.75
X-17343
358954.65 320575.82
X-17348
929154.03 847957.53
X-17351
175247.78 230392.06
X-17353
94500.93 96008.06
X-17354
89656.29 101708.99
X-17355
- 1168595.00
X-17357
156014.92 168428.07
X-17361
128871.96 119042.03
X-17365
164986.61 176819.93
X-17367
139230.52 156884.37
X-17612
139972.02 140217.76
X-17653
289446.75 314815.43
X-17654
1271880.65 1294582.61
X-17655
1284298.03 734280.09
X-17673
99899.92 149458.49
X-17674
114137.29 104520.67
X-17676
359184.81 347612.35
X-17685
356446.78 404435.97
X-17686
122643.09 94868.39
X-17688
106536.81 68060.67
X-17690
464227.95 475174.19
X-18240
247995.97 175249.73
X-18345
102323.79 77505.71
X-18838
112633.60 54619.90
X-18886
244382.33 245447.33
X-18887
70313.24 66366.29
X-18888
141575.48 139455.32
X-18899
301002.91 319059.57
X-18901
681178.23 589640.16
X-18913
1410405.82 1275105.06
X-18921
1480921.01 1423767.98
X-18922
162890.97 166486.46
X-19141
217117.71 213700.60
X-19183
141505.43 148792.41
X-19299
620190.06 296668.17
X-19438
200527.94 198785.63
X-19497
489921.89 358995.26
X-21258
5423220.22 5371980.45
X-21286
212162.74 226241.60
X-21310
163556.14 174238.48
X-21312
142843.09 130867.50
X-21315
1044325.70 1124925.99
X-21319
881939.75 850565.51
X-21339
801449.02 898265.19
X-21351
863484.29 893205.87
X-21353
1405779.37 1439251.69
X-21364
262876.53 284829.54
X-21383
271138.80 268915.82
X-21441
168400.26 171345.26
X-21442
1880471.26 1752782.87
X-21467
249598.38 254051.77
X-21470
190109.41 229396.05
X-21471
173459.58 173156.96
X-21607
714189.11 715663.70
X-21661
210325.26 195740.59
X-21733
75111.41 83750.69
X-21736
826952.86 823452.33
X-21740
126059.01 128424.86
X-21752
999978.47 971243.45
X-21796
137000.05 134778.70
X-21803
733442.93 761603.48
X-21807
141641.57 118243.79
X-21815
115700.55 166116.53
X-21821
159138.30 198029.67
X-21831
110142.55 66444.35
X-21834
233188.93 311528.92
X-21838
196229.68 187294.79
X-21840
127605.14 95236.56
X-21842
93563.65 76926.13
X-21845
184771.90 203282.95
X-22143
158846.25 157387.70
X-22509
124020.98 154213.30
X-22520
91839.55 99583.51
X-22771
1222009.11 1240082.34
X-22776
92372.96 89831.69
X-22834
181341.71 181211.27
X-23429
122515.74 120079.59
X-23787
94415.04 110493.33
X-23968
53772.45 53614.91
X-23974
199647.55 194922.71
X-24295
249380.04 236777.04
X-24306
304403.96 289080.36
X-24307
461436.98 422220.59
X-24309
333046.97 335663.84
X-24328
148201.23 143422.99
X-24330
147429.79 150475.25
X-24337
106607.66 112245.09
X-24338
138598.74 165664.64
X-24339
86558.40 58868.47
X-24344
196571.70 227220.19
X-24435: ret for 35324
6261075.84 7041661.46
X-24489
89377.00 166462.48
X-24494
95223.87 83487.44
X-24541
92544.21 82897.15
X-24543
138196.66 243317.98
X-24544
124811.13 134464.59
X-24546
95646.08 100507.43
X-24549
741688.05 780628.60
X-24556
553162.62 550657.38
X-24565
138202.94 137604.76
X-24571
456294.20 143425.83
X-24576
112953.86 46710.26
X-24577
108200.26 487866.79
X-24581
74230.00 74230.00
X-24588
240077.56 247978.00
X-24590
118395.46 131522.37
X-24637
245337.30 202655.06
X-24747
198333.20 185987.28
X-24748
312565.94 293719.93
X-24757
166753.05 186599.89
X-24761
156421.41 217250.69
X-24947
232204.49 231778.65
X-24949
88428.09 88000.32
X-24951
1450881.96 1518292.88
X-24953
868102.40 897245.51
X-24975
265315.02 269653.57
X-25247
91870.66 63042.92
X-25279
256504.81 1016138.59
X-25317
121423.19 120262.58
X-25371
221934.99 184584.10
X-25383
44937.47 1667254.06
X-25388
171388.51 166355.62
X-25396
338159.50 177257.50
X-25406
121259.61 123607.50
X-25433
114748.40 106714.21
X-25450
259296.19 333616.76
X-25457
83806.40 51814.29
X-25503
287202.78 212095.98
X-25511
98807.52 134358.61
X-25523
219682.08 86960.85
X-25800
100435.04 69805.95
X-25805
290287.04 189470.00
X-25806
55628.40 45361.71
X-26054
154108.26 156511.32
X-26062
801009.73 1266477.30
X-26109
94213.80 112294.63
X-26111
2317881.73 2156124.77
X-26119
150463.05 140345.43

Factors:

F1Diagnosis:0
F2Diagnosis:1
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