Data for IWMS Study 1:Weight comparison of obese and lean patients (Study ST000106)

ESI positive ion mode (Analysis AN000175): Average values per metabolite and experimental factor (Units:Counts)

Metabolite structureAll dataF1F2F3F4F5F6
10-HYDROXYDECANOATE ME057975 412372.33 628067.75 538184.50 496061.00 559941.40 494148.67
10-HYDROXYDECANOATE ME057976 1245814.75 786808.67 1166643.62 1154936.50 1039820.45 901848.83
10-HYDROXYDECANOATE ME057977 - 39347.00 29999.00 49631.00 26945.00 -
11-BETA-HYDROXYANDROST-4-ENE-3,17-DIONE ME057978 - - 32557.00 - - -
11-BETA-HYDROXYANDROST-4-ENE-3,17-DIONE ME057979 144510.50 56787.00 86530.75 84444.80 76786.50 94311.00
11-BETA-HYDROXYANDROST-4-ENE-3,17-DIONE ME057980 60472.00 398302.00 294195.33 348041.00 351969.33 290848.80
1,2-DIDECANOYL-SN-GLYCERO-3-PHOSPHOCHOLI... ME057970 - - 26702.00 - - -
12-HYDROXY-DODECANOIC ACID ME057981 267989.50 423437.00 400920.33 456828.00 232083.67 252466.00
12-HYDROXY-DODECANOIC ACID ME057982 1264401.50 1763489.25 1699145.21 1835387.08 1477436.15 1260102.93
[13C]-ARGININE ME059056 158061.00 159346.25 180148.36 172095.54 171490.07 171581.57
[13C]-ASPARTIC ACID ME059057 4522483.00 4803554.50 3137547.67 3860294.00 3070417.67 2833870.00
[13C]-GLUTAMATE ME059058 194720.75 212677.00 191686.07 196734.86 197061.57 189422.36
[13C]-ISOLEUCINE ME059059 - - - - - 18954.00
[13C]-LEUCINE ME059060 224042612.00 215703528.25 215051597.36 204325059.71 220374900.21 198118885.86
[13C]-LYSINE ME059061 49990.75 57175.00 53476.93 58218.08 57455.43 54038.62
[13C]-METHIONINE ME059062 5526099.75 5738361.75 5442364.07 5242462.57 5595272.50 5416938.07
[13C]-PHENYLALANINE ME059063 120381222.00 123205506.75 118158810.64 120095035.50 124162399.57 118998350.07
[13C]-PROLINE ME059064 2639282.75 2642946.75 2520822.00 2370393.29 2575648.50 2439360.93
[13C]-THREONINE ME059065 129022.75 125451.25 128365.00 118276.50 126262.21 120826.50
[13C]-TYROSINE ME059066 13632110.75 13375179.00 12964140.64 12330264.71 13303953.00 11928959.71
[13C]-VALINE ME059067 13711487.25 13439091.75 12912204.86 12316620.14 13188613.64 12946245.21
17ALPHA-HYDROXYPROGESTERONE ME057984 - 164510.00 157979.00 - 284508.00 153448.67
1-METHYLADENOSINE ME057972 424131.00 693957.75 450559.00 713376.00 485584.36 698595.71
1-OLEOYL-RAC-GLYCEROL ME057974 32370.67 42793.50 94235.69 78759.73 68090.07 82850.92
2`,4`-DIHYDROXYACETOPHENONE ME057999 1220514.00 1585857.25 1420387.77 1818193.14 1310999.86 1546363.36
2,6-DIHYDROXYPYRIDINE ME057985 70785.50 95919.00 85469.43 92350.64 87547.64 107013.29
2-AMINO-2-DEOXYHEXOPYRANOSE ME057987 62795.50 66080.25 72575.93 89184.57 64525.23 67629.00
2`-DEOXYADENOSINE ME058000 - - - 15958.00 22705.00 -
2`-DEOXYADENOSINE ME058001 - - - 19031.00 27210.00 27233.00
2`-DEOXYCYTIDINE ME058004 38899.00 - - - - -
2`-DEOXYCYTIDINE ME058005 - - 25365.00 28262.00 - -
2-DEOXY-D-GLUCOSE ME057989 4859230.75 4932977.75 3879090.14 4013137.14 3054203.93 2909857.57
2`-DEOXYGUANOSINE ME058006 64083.25 84227.33 69745.86 125946.00 82586.93 85576.58
2`-DEOXYGUANOSINE ME058007 - - 19503.00 76684.00 26888.00 -
2`-DEOXYGUANOSINE ME058008 16778.00 19303.00 25236.00 19991.00 37832.00 -
2`-DEOXYGUANOSINE 5`-DIPHOSPHATE ME058985 - - 45268.00 32643.00 - 58988.50
2-HYDROXY-4-(METHYLTHIO)BUTYRIC ACID ME057990 34289.00 59251.00 17706.50 62770.67 33852.50 37061.00
2-HYDROXY-4-(METHYLTHIO)BUTYRIC ACID ME057991 41526.00 - - - - 28593.00
2-HYDROXYBUTYRIC ACID ME057992 86809.00 25878.67 40218.23 45325.83 43112.11 32832.86
2-HYDROXYBUTYRIC ACID ME057993 3511572.75 3319033.75 5771757.21 6863792.21 4019900.00 4037557.29
2-HYDROXYPHENYLACETIC ACID ME057994 858106.50 908435.50 1082379.57 1438054.93 1260682.79 1174843.86
2-METHYLGLUTARIC ACID ME057995 297801.00 207193.67 268607.14 254829.79 200845.36 179577.36
2-METHYLMALEATE ME057996 32437.50 29796.67 29384.00 21211.33 25927.25 29477.25
2-QUINOLINECARBOXYLIC ACID ME057997 69603.00 2675190.00 169467.50 1981257.78 100276.00 2305052.70
2-QUINOLINECARBOXYLIC ACID ME057998 - - 100327.00 - - -
3-(2-HYDROXYPHENYL)PROPANOATE ME058015 198565.00 266148.33 200671.64 238424.23 188727.56 210996.42
3,3`,5-TRIIODO-L-THYRONINE ME058986 - - - 65968.00 - -
3,3`-DITHIODIVALINE ME058987 141587.00 70381.00 84686.40 90305.00 110570.00 110040.50
3,3`-DITHIODIVALINE ME058988 - - 27932.00 - - -
3,4-DICHLOROANILINE ME058989 - - 34590.00 - - -
3,4-DIHYDROXYBENZOATE ME058011 334174.33 241800.33 229762.38 200309.38 229662.18 171145.50
3,4-DIHYDROXYBENZOATE ME058012 22915.00 - 35585.00 50225.00 24763.00 16513.33
3,4-DIHYDROXY-L-PHENYLALANINE ME058010 110944.00 182916.00 109366.00 150733.50 130363.50 102543.75
3,4-DIHYDROXYPHENYLACETATE ME058014 34567.00 85484.00 27697.50 97244.00 23904.00 47217.00
3-(4-HYDROXYPHENYL)LACTATE ME058016 138888.00 - 121461.43 133024.33 151739.25 59749.50
3-(4-HYDROXYPHENYL)PYRUVATE ME058017 - - - - - 218685.00
3,5-DIIODO-L-THYRONINE ME058990 18822.00 22783.00 33532.75 57010.50 - 60395.00
3-ALPHA,11-BETA,17-ALPHA,21-TETRAHYDROXY... ME058020 - - - 182265.00 115432.00 208572.00
3ALPHA-HYDROXY-5BETA-CHOLANATE ME058032 - - 135565.00 - - -
3BETA-HYDROXY-5ALPHA-PREGNAN-20-ONE ME058034 233714.00 158214.67 134284.56 179906.57 146182.57 100556.25
3-(CYSTEIN-S-YL)ACETAMINOPHEN (*) ME058018 559110.00 - 443326.40 542186.00 651802.00 624516.50
3-(CYSTEIN-S-YL)ACETAMINOPHEN (*) ME058019 1906041.00 2094004.50 2211167.93 1959411.64 2175621.15 1884704.29
3-DEHYDROCARNITINE ME058021 88863.00 58913.00 - - - -
3-DEHYDROSHIKIMATE ME058022 91686.00 134310.50 190605.00 172225.79 264698.58 181737.85
3`-DEPHOSPHO COA ME058035 - 58893.50 27212.33 42348.33 63087.67 46207.17
3-HYDROXY-3-METHYLGLUTARATE ME058023 61456.00 89845.00 88308.62 134295.67 92518.71 104265.69
3-HYDROXY-3-METHYLGLUTARATE ME058024 51127.00 - - - - 6683849.00
3-HYDROXYANTHRANILATE ME058026 36597.33 22229.00 26823.25 15929.00 22177.00 29475.50
3-HYDROXY-DL-KYNURENINE ME058025 31841.50 30746.00 27547.57 38183.56 26780.80 28069.20
3-METHOXY-L-TYROSINE ME058028 397429.50 417055.00 413664.86 460571.93 469375.29 450793.50
3-METHOXY-L-TYROSINE ME058991 - - - - 17470.00 -
3-METHOXYTYRAMINE ME058029 76065.50 66926.50 - 46118.75 42215.50 -
3-METHYL-2-OXINDOLE ME058030 - 48170.00 41735.20 38397.43 45320.57 42671.20
3-METHYL-2-OXINDOLE ME058992 - - 17233.00 - - -
3-UREIDOPROPIONIC ACID ME058031 47955.25 62839.00 56086.57 51176.43 62265.33 73198.25
4-ACETAMIDOBUTANOATE ME058036 - - - - - 29711.00
4-ACETAMIDOBUTANOATE ME058037 24141.00 36816.00 27380.67 - 27385.50 28724.67
4-AMINOBENZOATE ME058038 254899.00 192968.67 215924.67 170642.25 217885.45 149264.15
4-AMINOBENZOYLGLUTAMIC ACID ME058039 - - 25943.33 29095.00 25540.00 -
4-AMINOBENZOYLGLUTAMIC ACID ME058040 19501.00 - - - - -
4-AMINOBENZOYLGLUTAMIC ACID ME058993 - - 48555.00 44459.00 29101.00 26811.00
4-COUMARATE ME058041 125471.00 98568.33 70163.75 62146.36 67853.90 83084.10
4-GUANIDINOBUTANOIC ACID ME058042 61598.00 44700.50 - - 21742.00 14356.00
4-HYDROXY-3-METHOXYMANDELIC ME058043 - - 65363.00 - - -
4-HYDROXY-3-METHOXYMANDELIC ACID ME058044 - - - - 30228.00 -
4-HYDROXY-3-METHOXYPHENYLGLYCOL ME058045 18443.00 22389.00 27506.00 - 21648.33 -
4-HYDROXYBENZALDEHYDE ME058046 - 20731.00 - - - 28781.00
4-METHYL-2-OXOPENTANOATE ME058047 4546898.00 5633711.75 5192329.07 6402420.93 4795903.36 5395028.14
4-METHYL-2-OXOPENTANOATE ME058048 1316132.00 1581901.00 1494262.57 1820437.29 1411249.43 1565136.43
4-METHYLCATECHOL ME058049 86148.50 80371.00 43225.44 54799.62 60541.67 60274.50
4-NITROCATECHOL ME058994 28868.00 - 38970.00 - 32796.00 20118.00
4-NITROPHENYL PHOSPHATE ME058051 22674.00 31819.00 15890.00 30311.25 38602.00 21955.00
4-PYRIDOXATE ME058052 166271.00 208029.00 818686.38 802850.89 575764.92 474804.67
5-AMINOIMIDAZOLE-4-CARBOXAMIDE-1-BETA-D-... ME058995 66114.00 - 174043.00 113483.75 51208.00 128855.33
5-AMINOLEVULINIC ACID ME058053 - 27152.00 26833.00 35350.00 19049.00 31675.00
5`-DEOXYADENOSINE ME058065 - - - 18511.00 27220.00 -
5`-DEOXYADENOSINE ME058066 - 23846.00 20541.50 26010.50 22120.25 29727.00
5`-DEOXYADENOSINE ME058067 - - - 15966.00 22631.00 -
5-HYDROXYINDOLE-3-ACETIC ACID ME058057 57931.00 - 102811.12 135732.33 180602.00 75525.33
5-HYDROXYINDOLE-3-ACETIC ACID ME058059 95847.67 91829.00 118781.75 106784.00 109114.57 130417.14
5-HYDROXY-L-TRYPTOPHAN ME058055 71754.00 56766.00 48768.33 61404.71 59712.67 73166.25
5-HYDROXYMETHYLURACIL ME058060 - - 17812.00 - - -
5-HYDROXYPENTANOIC ACID ME058061 577208.00 471208.50 689452.07 553160.36 592903.00 413857.64
5`-METHYLTHIOADENOSINE ME058068 25564.00 - 51618.50 40903.25 68535.00 50100.67
5`-METHYLTHIOADENOSINE ME058069 19665.00 - - - - -
5-OXO-PROLINE ME058063 - 35269.00 40557.00 37359.00 36527.67 34943.50
5-VALEROLACTONE ME058064 326441.00 453713.25 382168.14 522972.00 413077.14 387884.71
6,7-DIHYDROBIOPTERIN ME058070 - 22780.00 22537.00 25006.25 21882.50 29280.00
6-HYDROXYDOPAMINE ME058071 399546.00 334569.00 273392.00 370845.25 - 409601.67
7-AMINOCEPHALOSPORANIC ACID ME058074 - 81623.00 22621.00 - - 39862.00
ACENAPHTHENEQUINONE ME058996 - - - - 22741.00 74548.00
ACETOACETATE ME058997 24522.00 - - - - -
ADENOSINE ME058076 64038.25 84231.33 69749.93 125917.79 82529.79 82394.92
ADENOSINE 3`,5`-CYCLIC MONOPHOSPHATE ME058077 42321.00 35260.75 44036.07 38986.08 40676.86 28705.27
ADENOSINE 5`-MONOPHOSPHATE ME058078 77063.33 78763.50 56571.42 52056.64 81977.92 60455.18
ADENOSINE 5`-MONOPHOSPHATE (*) ME058079 - 45261.00 38884.67 68872.00 61524.50 30061.50
ALANINE ME058081 124153.25 135750.00 164627.64 176806.36 150200.71 161112.07
ALLANTOIN ME058082 98255.33 102686.00 113337.86 115497.67 93432.20 79334.29
ALPHA-KETO-GLUTARATE ME058083 40913.00 27331.67 36223.50 30247.60 39564.20 36713.67
ALPHA-KETO-GLUTARATE ME058084 95748.00 115681.75 109917.85 112108.86 117487.21 92447.77
ALPHA-LIPOAMIDE ME058085 - 27738.00 28364.40 36829.25 27181.50 32748.50
ALPHA-TOCOPHEROL ME058086 - - - - - 56416.00
ALPHA-TOCOPHEROL ME058087 258529.00 216545.50 240274.14 209472.43 248743.00 218793.14
AMINOHYDROXYBENZOIC ACID ME058088 286531.00 176572.00 321829.14 333444.00 312628.83 290594.20
AMINOHYDROXYBUTANOIC ACID ME058089 287664.33 440026.50 456164.83 481678.11 368821.71 475131.82
ANILINE ME058092 60939.50 51442.00 - - 40982.00 29625.00
ANTHRANILATE ME058093 126159.25 98367.25 126616.21 115390.57 155370.79 114928.77
ARACHIDONOYLGLYCEROPHOSPHOCHOLINE (*) ME058094 14625258.50 10489491.50 11559862.07 9570245.43 12396018.29 12344294.86
ARG-VAL-TRP ME058095 748811.75 1230556.50 1017097.00 1072416.71 1090895.86 1124934.86
ASCORBATE ME058096 - 27351.50 30677.00 33715.14 70220.00 31184.50
ASPARAGINE ME058097 155732.00 - 109978.14 84638.18 94454.71 94755.25
ASPARAGINE ME058098 64932.33 100580.25 57357.70 67460.43 78875.88 86882.70
ASPARTATE ME058099 27471.00 - 22061.00 31845.50 21504.00 24464.50
AZELAIC ACID ME058100 177411.00 197438.25 420585.50 348486.46 255082.46 294374.50
AZELAIC ACID ME058101 41598.00 14234.00 147872.00 117995.00 39555.00 45960.75
BENZENEDICARBOXYLIC ACID ME058102 - - - - 37097.00 -
BENZOIN ME058103 306920.25 385191.50 434127.29 414079.30 385621.17 373319.83
BETAINE ME058104 190700.75 229943.25 125035.93 112889.64 182933.17 172869.23
BILIVERDIN ME058105 765024.75 942686.00 981301.69 807818.07 950680.62 870863.86
BILIVERDIN ME058106 - 27879.00 17994.00 46010.50 45354.75 -
BILIVERDIN ME058107 97799.00 92129.00 41576.00 - 32125.00 39079.00
BILIVERDIN ME058108 367006.50 427359.75 1798143.54 1632595.00 1742027.29 2185322.00
BIOPTERIN ME058109 - 33107.00 - 22650.00 - 35064.00
BIOTIN ME058110 - - 826475.00 - - 99983.00
BIOTIN ME058111 184428.50 176112.67 204696.00 187396.23 166428.92 149929.67
BIOTIN ME058112 - 77995.00 - - - -
BIOTIN ME058998 - - - - - 184019.00
BIS(2-ETHYLHEXYL)PHTHALATE ME058113 4337888.25 4601011.00 4516665.00 4196654.07 4818607.93 3904855.07
BIS(2-ETHYLHEXYL)PHTHALATE ME058114 - 853070.00 896498.00 901752.00 2111177.00 -
BIS(2-ETHYLHEXYL)PHTHALATE ME058115 1977428.50 1665680.25 1942678.93 1739061.21 1886706.93 1400900.14
BISPHOSPHOGLYCERATE ME058116 27621.00 24576.00 22074.00 25428.50 28378.80 28662.25
BISPHOSPHOGLYCERATE ME058117 48281.00 61347.00 49826.00 73994.00 26874.00 67430.25
BOC-A-(1-NAPHTHYLMETHYL)-DL-PRO-OH ME058999 - - - - 22873.00 -
BOC-ALA (+NA) ME058118 99476790.25 134512176.25 132983195.79 133016065.79 124079796.36 113285266.57
BOC-ALA-OH ME058119 11998803.75 16461345.00 16301012.14 16032238.07 14870025.86 13368463.07
BOC-ALA-OH ME058120 99310344.25 134053463.50 132685228.93 132755692.00 123869185.64 113094545.57
BOC-ASN ME058121 85949521.50 92914863.50 86726351.79 89610761.86 90773992.43 87253517.36
BOC-ASP-OH ME058122 34942100.75 39295194.00 35988526.07 37581124.38 38070472.57 36391238.00
BOC-GLY-OH ME058123 - - 27775.00 - 35572.00 17555.00
BOC-HIS-OH ME058124 27668.00 41832.00 16852.00 43989.80 21589.50 38948.25
BOC-HIS-OH ME058125 40206.00 73897.50 93125.22 116181.29 69883.33 47406.62
BOC-HIS-OH ME058126 121663.00 88980.00 101640.00 96656.33 97792.20 66401.60
BOC-HIS-OH ME058127 128466.00 16288.00 317225.00 67981.00 176059.50 65950.00
BOC-LYS-OH ME058128 - - 2451623.00 - 1753673.00 -
BOC-LYS-OH ME058129 58568.50 37380.00 46217.50 45384.50 33436.00 55307.60
BOC-LYS-OH ME058130 1324840.00 1449340.00 1851585.50 1756642.40 2019772.00 1271417.00
BOC-PHE-OH ME058132 66447734.00 92512723.75 83581858.07 87546153.71 77309870.43 71735323.29
BOC-PRO-OH ME058133 48310.00 170874.50 109600.57 147724.90 109680.33 104894.25
BOC-SER-OH ME058134 - - 123310.50 115992.00 - 157069.00
BRADYKININ (*) ME058135 166079.00 23688.00 470661.50 39867.83 1605481.67 222107.75
BRADYKININ DES-ARG(9) (*) ME058136 - - 150251.00 43132.00 663907.33 155624.00
BRADYKININ DES-ARG(9) (*) ME058137 45313.00 - 263874.50 - 1759599.50 339203.00
BRADYKININ HYDROXY-PRO(3) (*) ME058138 154626.00 25086.00 71716.00 - 310355.00 141683.50
BUTYRYLCARNITINE (*) ME058139 690571.67 98099.25 450578.58 188581.91 374885.38 89176.42
BUTYRYLCARNITINE (*) ME058140 14218123.50 12294424.25 8918721.43 9978265.57 8924661.93 8909970.57
CADAVERINE ME058143 58506.00 60119.50 50986.10 49459.00 58491.20 43416.30
CAFFEINE ME058145 11659023.33 8928736.00 11399187.42 12640476.31 14434355.50 11512695.64
CAFFEINE ME058146 798052.67 1101524.00 1031967.60 1182747.60 1145156.50 934489.55
CAPECITABINE ME058147 39857.00 76673.00 70051.00 83740.86 68317.25 61914.57
CAPECITABINE ME058148 - - - 170297.00 14450.00 112991.00
CAPECITABINE ME059000 - - - - 28456.00 39116.00
CAPECITABINE ME059001 - - 16374.00 28642.33 17860.33 -
CARNOSINE ME058149 - - 41533.00 - - -
C-GLYCOSYLTRYPTOPHAN (*) ME058141 453328.00 468130.50 602218.93 682226.29 652503.57 659769.29
C-GLYCOSYLTRYPTOPHAN (*) ME058142 466724.50 486794.25 630148.86 698983.57 676637.00 675256.21
CHOLIC ACID ME058150 - 335864.00 220628.00 468442.50 265073.80 308068.00
CINNAMOYLGLYCINE (*) ME058151 1550052.25 1400945.75 1435646.14 1407861.21 1410918.14 1204279.50
CINNAMOYLGLYCINE (*) ME058152 942124.00 760440.00 651569.86 692325.33 653763.00 664746.50
CIS-4-DECENOYL CARNITINE (*) ME058153 7140089.75 3669746.50 8228283.00 6095530.21 8760282.50 5530110.36
CIS-4-DECENOYL CARNITINE (*) ME058154 1162614.00 471973.00 1138112.09 730532.62 610195.75 371754.92
CIS-7,10,13,16-DOCOSATETRAENOIC ACID ME058155 128755.00 56094.75 95439.40 74826.00 86376.78 62238.89
CIS-ACONITATE ME058156 42930.00 - 45363.29 54512.11 45433.33 58490.25
CITRAMALATE ME058158 32289.33 36217.00 35081.67 51424.14 36793.44 42051.78
CITRATE ME058159 - - 84828.14 83805.67 90291.00 23816.00
CITRATE ME058160 1586608.75 1645072.50 1496844.64 1707664.71 1656031.64 1802112.21
CITRULLINE ME058161 292756.33 272362.33 216683.90 185247.00 253518.08 212715.60
CORTICOSTERONE ME058162 - - 166179.75 172242.29 187927.00 113041.43
CORTICOSTERONE ME058163 - - 35803.67 - 63579.50 85592.00
CORTICOSTERONE ME059002 53817.50 42661.00 78305.64 79545.29 39310.43 64680.70
CORTISOL ME058164 69132.00 42463.00 39066.80 127547.71 45120.25 27780.50
CORTISOL ME058165 1510055.50 1371917.25 1152472.62 1121011.15 1203138.31 838728.21
CORTISOL ME058166 520937.33 331530.50 364055.67 452054.29 433693.50 339281.30
CORTISOL 21-ACETATE ME058167 159348.75 159922.50 185836.91 199824.90 183122.08 161826.67
CORTISOL 21-ACETATE ME058168 103377.33 100311.00 146372.60 94469.40 130905.43 81958.14
CORTISOL 21-ACETATE ME058169 - 21833.00 - - 31333.00 28985.50
CORTISONE ME058170 - - - - 29764.00 701350.00
CORTISONE ME058171 146499.00 344364.00 352873.00 360504.17 321955.88 274713.25
CORTISONE ME058172 56290.50 281326.00 237373.50 138061.80 180235.00 122392.33
COTININE (*) ME058173 - - 153937.33 264984.00 341370.00 275484.00
COTININE (*) ME058174 - - - - 8808218.00 7880969.00
CREATINE ME058175 4588842.25 4844405.75 6661576.21 6926018.86 6263873.00 6546126.23
CREATININE ME058176 10775412.00 10789994.25 8692739.86 8745389.64 9914358.50 9192700.50
CREATININE FROM COMPLEX ME058177 2735817.50 2583468.00 1894249.86 1856854.29 2458630.77 2064059.57
CYCLOHEX-1-ENECARBOXYLIC ACID ME058178 - - 42214.00 49389.00 37391.00 -
CYCLOHEXANE-1,3-DIONE ME058179 74534.00 82044.00 63981.75 73205.00 72368.40 77129.83
CYCLOHEXANE-1,3-DIONE ME058180 108015.33 141176.50 184273.00 159565.86 139318.00 168622.80
CYSTEINE ME058182 33822.00 37909.50 55611.40 61972.14 42656.00 60694.67
CYSTINE ME058183 - 734166.00 723550.33 957698.67 611385.40 646328.25
CYSTINE ME058184 21989.00 22377.00 41293.30 38676.73 30330.45 33612.78
CYTIDINE ME058185 - - 32445.00 36627.50 - 25858.00
CYTIDINE 5`-DIPHOSPHOCHOLINE ME058186 - 20292.00 30959.00 22179.00 24598.00 18545.50
CYTOSINE ME058187 61818.00 62739.75 65079.23 83626.43 57569.92 65518.15
DECANOYLCARNITINE (*) ME058190 12455219.75 3491489.00 9933113.07 6562195.29 12075938.50 6645896.00
DEOXYCHOLATE ME058191 454904.25 416577.50 715664.08 761032.50 779386.31 760604.38
DEOXYCHOLATE ME058192 17981714.00 11424985.75 13291463.92 13501716.00 18474754.33 14371728.23
DEOXYCORTICOSTERONE ME058193 57898.00 - 63651.67 50931.00 - 33732.50
DEOXYCORTICOSTERONE ME058194 79433.00 58246.00 143844.75 91957.80 113763.67 155086.14
DEOXYCORTICOSTERONE ME058195 37265.00 212213.50 129017.67 131082.40 105644.67 120674.50
DEOXYRIBOSE ME058196 - - 279782.00 - - -
DETHIOBIOTIN ME058201 - - - - 189613.00 -
DETHIOBIOTIN ME059003 - - 71507.00 - - -
D-GLUCONO-1,5-LACTONE ME058189 - - 25616.00 28099.00 - 24689.00
DIACYL-GLYCEROPHOSPHOCHOLINE (C50H82NO8P... ME058205 241983.67 171396.33 202520.50 150610.70 234893.46 176671.57
DIACYLGLYCEROPHOSPHOGLYCEROL (*) ME058207 574697.00 - - 1851460.00 - -
DIACYL-PHOSPHATIDYLCHOLINE ME058206 8779061.00 - 3541332.00 - 4115844.67 5786628.00
DIETHANOLAMINE ME058208 32581.50 51837.50 30063.00 38682.71 37504.25 59533.00
DIETHYL AMINOMALONATE ME058209 - 25327.00 15574.50 - 13689.00 -
DIETHYL AMINOMALONATE ME058210 - - - 22522.50 26370.00 29552.00
DIHEXOSE ME058211 71119.50 248548.50 166493.71 356969.21 146847.00 267870.86
DIHYDROFOLATE ME058212 23130.00 - - - 34350.00 34087.00
DIHYDROFOLATE ME059004 - - - - 22469.00 43108.00
DIHYDROOROTATE ME058213 49692.00 69670.00 47693.00 42079.89 69720.40 54838.75
DIHYDROOROTATE ME058214 49673.50 77470.00 46593.75 43555.78 67837.33 56516.00
DIHYDROOROTATE ME058215 - 102882.00 40159.71 32577.60 34524.50 43742.88
DIHYDROOROTATE ME058216 - 21556.00 38885.62 31093.00 33785.00 43075.50
DIHYDROXYBENZOIC ACID ME058217 - - 305719.00 341404.00 156029.00 451629.50
DI-LINOLEOYL-3-SN-PHOSPHATIDYLCHOLINE (P... ME058202 5892347.50 3943973.75 6127869.50 6793831.21 6693583.57 7746986.64
DI-LINOLEOYL-3-SN-PHOSPHATIDYLCHOLINE (P... ME058203 40902749.00 133563145.00 70598249.00 134673552.50 135806186.00 150378320.25
DIMETHYLARGININE (*) ME058220 2562940.25 2732431.75 1772369.00 1980643.50 2355813.00 2379161.64
DIMETHYLBENZIMIDAZOLE ME058221 - - - 279111.00 342834.00 289770.00
DIMETHYLBENZIMIDAZOLE ME058222 - - 43746.50 27466.60 - 37209.67
DIMETHYLGUANOSINE (*) ME058223 265683.00 307264.25 316608.71 382541.21 304135.21 350594.86
DIMETHYL MALEATE ME058218 121148.00 67995.00 69308.78 71439.50 51746.70 70075.29
DIMETHYL MALEATE ME058219 103918.25 158161.50 228609.50 235541.57 131304.85 102514.54
DIMETHYLXANTHINE ME058224 10101000.75 12455915.33 7570466.71 7403330.14 11621109.77 9970384.92
DIMETHYLXANTHINE (*) ME058225 10330243.75 9489342.00 7204306.36 8278243.57 10072009.86 9489525.57
DIOLEOYLPHOSPHATIDYLCHOLINE ME058226 223413671.25 100314313.00 218584620.21 155254708.93 199018510.57 148634290.14
DIPALMITOYLGLYCEROL (*) ME058227 121828.00 80259.50 37235.12 91388.60 93289.75 281825.75
DI-TERT-BUTYL DICARBONATE ME058204 16302.00 18533.00 43142.00 21136.50 38615.50 47657.00
DOCOSAHEXAENOIC ACID ME058228 66292.25 57967.00 81399.62 73975.12 55520.00 38825.89
DOCOSAHEXAENOIC ACID ME058229 47199.50 28005.50 77290.29 70493.57 77617.75 68807.78
DOCOSAHEXAENOIC ACID ME058230 392127.00 178306.67 453909.92 326834.38 286576.33 194070.80
DOCOSAHEXAENOYLGLYCEROPHOSPHOCHOLINE (*) ME058231 942319.25 780502.75 1136905.29 727785.79 1099467.79 897055.64
DOCOSAHEXAENOYLGLYCEROPHOSPHOCHOLINE (*) ME058232 2907273.25 2168936.50 2220524.86 1928637.14 2166139.50 1826792.00
DOCOSAHEXAENOYLGLYCEROPHOSPHOETHANOLAMIN... ME058233 425659.25 377883.33 701711.00 651288.21 397933.15 468655.27
DOCOSAPENTAENOYLGLYCEROPHOSPHOCHOLINE ME058234 277512.25 188436.00 218635.43 154772.07 219621.71 233345.38
EDTA ME058236 6673818.50 9437059.50 6913702.43 4932639.57 5294857.50 4098986.54
EDTA (*) ME058237 498521.75 541580.50 585861.42 338532.27 473430.00 484090.46
EDTA (*) ME058239 4277342.25 9443849.75 6920386.64 4620870.43 6071066.64 4876654.23
EICOSATRIENOYLGLYCEROPHOSPHOCHOLINE (*) ME058241 16338492.50 16190697.33 16158086.60 19337866.17 11878660.57 16285835.20
ENKEPHALINE, (D-ALA)2-LEU ME058242 - - 143335.00 - 143797.33 113972.00
EPINEPHRINE ME058243 1056742.75 1039626.25 1228004.71 1474455.21 1045898.57 1091491.50
ERYTHRITOL ME058244 450756.50 465359.50 453942.60 610586.40 689141.57 854579.00
ESTRADIOL 17 ALPHA ME058245 316366.50 294806.00 357901.78 484362.30 401446.27 308421.80
ESTRONE ME058246 359890.50 502841.00 362260.17 487272.43 389429.00 484828.40
ETHANOLAMINE ME058247 - 21456.00 30898.00 31408.50 31672.00 29598.50
ETHYL 3-INDOLE ACETATE ME058248 212738.33 195288.00 273517.70 250126.00 265025.56 119798.22
ETHYL 4-OXOCYCLOHEXANECARBOXYLATE ME058249 1629344.50 1510234.75 1697629.29 1209808.07 1495427.43 1690413.14
ETHYL 4-OXOCYCLOHEXANECARBOXYLATE ME058250 512132.00 563525.25 398082.93 485702.43 438036.25 539470.46
ETHYLMALONIC ACID ME058251 329771.25 222448.50 235720.14 178688.00 224620.79 168736.08
FERULATE ME058252 613694.00 1102262.00 1100898.86 1170015.86 1062827.93 1094523.93
FERULATE ME058253 259216.00 297094.25 457193.85 409164.14 505824.00 439570.93
FLAVIN ADENINE DINUCLEOTIDE ME058254 107072.50 124127.33 105129.67 124030.25 103755.50 127196.00
FOLIC ACID ME058255 - - 56585.00 - - -
FOLIC ACID ME059005 - - - 21349.00 29493.00 31497.00
FORMYL-L-METHIONINE ME058256 - - 29616.50 18656.00 - 20555.50
FORMYL-L-METHIONINE ME058257 45176.00 51428.50 57424.36 61944.83 58843.00 62062.00
GAMMA-BUTYROLACTONE ME058258 204855.75 60146.00 121194.86 67246.00 139986.46 59166.14
GAMMA-GLUTAMYLISOLEUCINE (*) ME058259 2007829.75 2612439.75 2454568.67 3000181.75 2646652.43 3167351.15
GAMMA-GLUTAMYLMETHIONINE (*) ME058260 280769.25 563562.00 378417.00 499051.93 394823.43 489103.36
GAMMA-GLUTAMYLPHENYLALANINE (*) ME058261 700825.50 822934.75 835614.92 974642.00 887103.62 924265.21
GAMMA-GLUTAMYLTYROSINE (*) ME058262 406302.00 558202.00 541472.07 651868.64 542051.36 601464.14
GLUCARIC/GULARIC/SACCHARIC ACID ME059006 29804.00 - 38065.00 51231.50 33007.00 37269.00
GLUCOSAMINE 6-PHOSPHATE ME058263 42509.50 28663.00 46730.00 48073.60 35389.33 44920.62
GLUCOSAMINE 6-SULFATE ME059007 - - - - - 73771.00
GLUCOSE-6-PHOSPHATE ME059008 27416.00 - 32304.00 26546.00 - -
GLUTAMIC ACID ME058264 52193.50 - 38959.00 59703.00 1605964.00 410975.67
GLUTAMINE ME058265 1648698.00 1837353.75 1669858.00 1849543.43 1763779.29 1869484.14
GLUTAMINE ME058266 785601.75 926316.00 783981.64 876226.64 817945.43 883804.00
GLUTARATE ME058267 94030.00 89297.00 93926.25 91053.75 71386.00 61632.70
GLUTARATE ME058268 - - 40092.00 - - 32804.00
GLUTAROYL CARNITINE (*) ME058269 1632038.33 1743386.00 1834322.08 1897199.38 2034688.50 1974174.14
GLUTATHIONE ME058270 - - 28733.00 24728.67 27995.00 30580.50
GLYCERALDEHYDE 3-PHOSPHATE DIETHYL ACETA... ME058271 - - 47262.00 - - -
GLYCERALDEHYDE 3-PHOSPHATE DIETHYL ACETA... ME058272 - - - - - 28477.00
GLYCERIC ACID ME058273 92826.00 107475.00 146856.75 148974.33 110970.50 127913.80
GLYCEROPHOSPHORYLCHOLINE (*) ME058274 24798.00 42340.50 26039.00 34547.50 163352.33 41808.50
GLYCINE ME058275 70036.75 55313.00 48925.93 45723.33 64288.14 59379.07
GLYCOCHOLATE ME058276 - - - 132306.00 - -
GLYCOCHOLATE ME058277 218328.00 370423.50 229900.36 564290.14 187806.62 285540.31
GLYCOLITHOCHOLIC ACID ETHYL ESTER ME058278 - - - - - 36623.00
GLYCOLITHOCHOLIC ACID ETHYL ESTER ME058279 - - 26567.00 50811.00 20520.00 17239.00
GLYCOLITHOCHOLIC ACID ETHYL ESTER ME059009 - 16647.00 - - - -
GUANINE ME058280 931563.00 1100742.00 771263.36 799224.85 797353.33 852753.91
GUANOSINE ME058281 35242.67 34753.67 33701.09 40209.55 44230.75 38692.67
GUANOSINE 5`-DIPHOSPHATE ME058282 - - - 24270.50 34780.00 -
GUANOSINE 5`-DIPHOSPHATE ME059010 - - 22281.00 29013.00 - -
GULONO-1,4-LACTONE ME058283 - - 39126.00 - 40663.50 -
HEPTADECANOYLGLYCEROPHOSPHOCHOLINE (*) ME058284 599468.25 422976.00 473878.86 321467.14 555643.07 455690.54
HEXOSE ME058286 33061265.50 37209143.75 40618127.79 53640761.57 34097686.07 39470852.14
HEXOSE (*) ME058287 8604121.50 9285162.50 10323310.00 12499817.86 8772632.64 9861818.36
HEXURONIC ACID ME059011 - - - - - 48067.00
HIPPURATE ME058288 7684582.25 5308922.25 2552622.43 2244791.00 4205606.86 4179414.43
HIPPURATE ME058289 8401808.00 5451005.75 2576559.07 2320343.93 3969628.50 4134118.86
HISTIDINE ME058290 172638.67 262832.50 228816.21 207648.75 248027.36 234146.92
HISTIDINE (*) ME058291 1105432.00 965760.25 801437.79 998780.29 1482538.71 1362191.57
HOMOCYSTINE ME059012 - 228913.00 31148.50 28569.33 31930.00 50872.00
HOMOGENTISATE ME058293 - - - - 2408558.00 -
HOMOGENTISATE ME058294 - 33435.00 - - 63149.00 33276.00
HOMOSERINE ME058295 181552.25 245298.50 202285.25 215374.00 236824.89 260147.36
HOMOSTACHYDRINE (*) ME058296 467814.50 493597.50 392770.79 389796.71 624578.86 622288.50
HOMOVANILLATE ME058297 - 148500.50 110873.00 131628.71 119327.75 115208.80
HOMOVANILLATE ME058298 45366.00 - 190919.50 182955.50 191922.00 59747.50
HYDROQUINONE ME058299 - - - - - 44313.00
HYDROXYBENZALDEHYDE ME058300 - 27559.00 - 22199.00 - 42160.67
HYDROXYBENZOIC ACID ME058301 37340.50 26898.00 24375.75 24019.33 26377.00 25803.67
HYDROXYBENZOIC ACID ME058302 29378.67 36618.50 48993.86 40505.38 63188.90 41602.14
HYDROXYPHENYLACETIC / MANDELIC ACID ME059013 - 5564104.00 4912776.78 5475487.20 5009889.67 4993501.80
HYPOXANTHINE ME058303 1173520.00 587781.00 1006002.14 682135.43 1265641.00 539844.50
HYPOXANTHINE ME058304 - - - - 58896.00 -
INDOLE-3-ACETALDEHYDE ME058305 - - - 122794.00 34137.00 34959.00
INDOLE-3-ACETALDEHYDE ME058307 71852.00 23496.00 31077.50 77804.67 46632.00 27611.00
INDOLE-3-ACETAMIDE ME058308 - - - - 50697.00 -
INDOLE-3-ACETAMIDE ME058309 36741.00 - 91869.00 32737.00 64873.00 67027.00
INDOLE-3-ACETAMIDE ME059014 - - - - - 298982.00
INDOLE-3-ACETIC ACID ME058310 1118968.75 1210316.75 1298957.21 1365717.64 1155748.79 1104465.29
INDOLE-3-ACETIC ACID ME058311 1145155.50 1354299.50 1454095.21 1877704.14 1282132.21 1285474.86
INDOLE-3-ETHANOL ME058312 40348.50 - 72799.50 51977.33 141643.00 65769.50
INDOXYL ME058313 - - - 153025.00 - -
INOSINE ME058314 38661.00 93888.33 116934.00 97624.58 233326.50 148749.00
INOSINE ME058315 78145.50 294147.00 162123.29 199071.75 439356.62 213902.17
INOSINE 5`-DIPHOSPHATE ME058317 45729.00 38053.00 41218.75 31339.71 33183.44 37293.29
INOSINE 5`-MONOPHOSPHATE ME058318 - - - - 132648.00 -
INOSINE 5`-MONOPHOSPHATE ME059015 27466.00 - 28251.00 - - 30290.50
ISOCITRIC ACID ME058319 - - 40110.67 27380.67 34932.75 15077.00
ISOLEUCINE ME059016 - - - - - 69900.00
ISOVALERYLCARNITINE (*) ME058320 9801230.00 11235956.75 9064359.29 11314159.57 8298629.50 8368167.79
ITACONATE ME059017 - - - - - 45237.00
KYNURENIC ACID ME058321 209759.75 256536.00 251197.15 281903.36 218160.29 226450.69
KYNURENIC ACID ME058322 - 17425.00 19733.00 29561.50 - 26026.50
KYNURENINE ME058323 6784987.25 8116425.75 7324499.36 8904299.07 7255440.43 7640445.50
LAUROYLCARNITINE ME058324 3272634.75 846882.25 1980854.14 1441439.93 1879299.79 1314940.00
LEUCENOL ME058325 24804.00 34427.00 44745.25 54036.88 54240.00 41708.43
LEUCINE ME058326 349173549.50 463038534.00 405022687.93 499118811.79 394726025.00 432265551.79
LEUCYLPHENYLALANINE (*) ME058327 529289.75 552784.25 513386.62 538833.57 674951.25 573276.08
LINOLEOYLGLYCEROPHOSPHOCHOLINE (*) ME058328 245321.75 180700.50 377862.54 416766.46 251306.10 232562.92
LINOLEOYLGLYCEROPHOSPHOCHOLINE (*) ME058330 16201384.75 13295879.25 11049158.93 9237636.79 11093209.36 10118152.64
LL-2,6-DIAMINOHEPTANEDIOATE ME058332 53918.67 43631.00 39120.50 51202.50 25665.50 46314.75
LUMICHROME ME058333 - 34320.00 21092.00 51329.60 53605.00 64551.33
LUMICHROME ME058334 98358.00 55277.00 166211.00 15448.00 160950.00 39890.50
LUMICHROME ME058335 45171.00 - 77685.00 41304.00 39817.00 49351.00
LYSINE ME058336 245657.75 334521.25 309926.21 343569.07 300087.00 342279.14
MALATE ME058337 106036.75 144754.75 112634.57 134406.07 124236.83 142497.43
MANNOSE-6-PHOSPHATE ME059018 - - - 32343.00 - -
MANNOSE-6-PHOSPHATE ME059019 - - - 53911.00 - 54678.00
MELATONIN ME058338 - 43338.00 62097.80 43671.00 - 34689.75
MELATONIN ME058339 510794.00 - - 31605.00 - -
MELATONIN ME058340 - - 28946.00 - - 86299.00
MELATONIN ME058341 - - 1930094.00 52140413.00 - -
METHIONINE ME058343 11534470.50 17144214.25 11550709.00 13907590.21 12168457.71 14160405.29
METHIONYLALANINE (*) ME058344 365354.00 425190.25 410364.79 425037.36 399752.86 383697.86
METHYL ACETOACETATE ME058345 42569.00 49224.00 51973.89 32311.71 30144.57 48247.00
METHYL ACETOACETATE ME058346 603387.00 334869.00 506130.86 453215.78 462921.40 234514.40
METHYLGLUTAROYLCARNITINE (*) ME058353 745838.75 942727.25 2052866.50 2260797.62 1026419.57 1174414.21
METHYLGUANIDINE ME058354 21096.00 - 24081.00 - 25615.00 26740.00
METHYL INDOLE-3-ACETATE ME058348 461377.25 501323.50 264334.75 192490.86 190423.79 173174.75
METHYL JASMONATE ME058349 7845830.50 10874770.75 10276963.85 10134045.14 8644724.07 8579148.50
METHYL JASMONATE ME058350 7191742.00 8591692.50 8041501.71 7812373.36 6629700.00 6144148.07
METHYLMALONATE ME058355 - - 16966.00 21497.00 39221.00 22833.50
METHYL PARABEN ME058351 - 5541245.00 4761823.38 5528682.80 5250772.20 4454062.25
METHYLXANTHINE (*) ME058357 365473.00 570874.25 447887.23 474815.00 933683.00 890393.08
MEVALOLACTONE ME058358 - - 796806.00 836662.00 - -
MONO-ETHYL MALONATE ME058359 - - - 16075.50 15082.00 40081.33
MONO-METHYL GLUTARATE ME058360 - - - 33996.00 145387.00 115789.50
MYRISTOYLGLYCEROPHOSPHOCHOLINE (*) ME058361 3626738.00 2449075.25 4046400.14 3211284.07 3645461.36 2816128.71
MYRISTOYLGLYCEROPHOSPHOCHOLINE (*) ME058362 625115.25 476470.75 732207.36 539494.36 630052.14 438365.43
N1-METHYL-2-PYRIDONE-5-CARBOXAMIDE (*) ME058403 4138833.25 3479344.75 5087292.07 6958076.62 4485391.79 4935759.79
N1-METHYL-2-PYRIDONE-5-CARBOXAMIDE (*) ME058404 548126.50 875496.67 1328343.54 741162.08 916782.50 548483.29
N1-METHYL-2-PYRIDONE-5-CARBOXAMIDE (*) ME058405 6607677.50 8344269.75 9971006.43 11616939.86 9609856.14 9665202.93
N4-ACETYLCYTIDINE (*) ME058406 78365.00 84996.25 294776.36 224174.79 142028.29 149393.85
N6-(DELTA2-ISOPENTENYL)-ADENINE ME058407 56117.00 123460.00 116316.56 158176.00 91634.20 109070.78
N6-(DELTA2-ISOPENTENYL)-ADENINE ME058408 - 123539.00 74073.50 62404.75 45610.00 58526.40
N6-(DELTA2-ISOPENTENYL)-ADENINE ME058409 65239.00 32766.00 70667.00 93429.00 68139.50 28705.00
N-ACETYL-D-GALACTOSAMINE ME058365 101738.00 124877.00 115665.11 128860.45 129780.40 115277.80
N-ACETYL-D-HEXOSAMINE ME058366 - - 30617.25 31151.91 31109.75 30715.29
N-ACETYL-D-HEXOSAMINE ME058367 - - - 39029.00 - -
N-ACETYL-DL-GLUTAMIC ACID ME058369 - - - - 31785.00 -
N-ACETYL-DL-METHIONINE ME058371 81563.00 77444.00 107897.25 128724.22 102985.11 85316.20
N-ACETYL-DL-METHIONINE ME058372 120882.50 103344.50 202112.00 124506.33 130553.50 115264.00
N-ACETYL-DL-METHIONINE ME058373 - - - 20028.00 30498.00 -
N-ACETYL-D-TRYPTOPHAN ME058368 91409.00 73657.00 142498.83 120164.67 79808.67 76635.50
N-ACETYL-D-TRYPTOPHAN ME059020 34987.00 - 19622.60 47619.00 31211.33 32454.25
N-ACETYLGLYCINE ME058385 - - - - - 63072.00
N-ACETYL-L-ALANINE ME058374 249213.00 173480.50 284310.92 239658.23 268105.17 236546.07
N-ACETYL-L-ASPARTIC ACID ME058375 78067.75 85618.00 73055.57 68189.07 79443.79 75075.21
N-ACETYL-L-ASPARTIC ACID ME058376 58069.00 54031.67 46681.33 44489.60 53248.30 55820.33
N-ACETYL-L-CYSTEINE ME058377 - 41602.00 - 85954.00 - 56820.25
N-ACETYL-L-CYSTEINE ME058379 135481.25 150244.75 216347.93 161222.71 152702.64 200003.21
N-ACETYL-L-LEUCINE ME058380 508144.33 1036864.50 591012.50 302962.50 497434.78 269129.00
N-ACETYL-L-PHENYLALANINE ME058382 136194.25 151543.33 138926.22 151351.73 165347.89 159584.57
N-ACETYL-L-PHENYLALANINE ME058383 153355.50 132950.33 103048.91 123052.11 123398.20 131818.64
N-ACETYL-L-PHENYLALANINE ME058384 - - 22461.00 - - -
N-ACETYLPUTRESCINE ME058387 119890.50 123314.75 117218.80 84261.00 112512.83 135160.50
N-ACETYLSEROTONIN ME058388 - - 178200.00 257425.50 166912.67 87514.50
N-ACETYLSEROTONIN ME058389 - - 73931.00 19291.00 27899.00 -
N-ACETYLSEROTONIN ME058390 333087.25 353407.00 266139.00 319593.50 431192.30 318666.40
N-ACETYLSEROTONIN ME059021 - - - 2351885.00 - -
N-ALPHA-ACETYL-L-ASPARAGINE ME058391 - - 60906.00 - - -
N-ALPHA-ACETYL-L-LYSINE ME058392 165192.00 - 291584.00 223178.00 459843.00 -
N-BENZYLOXYCARBONYLGLYCINE ME058393 - - - 126409.00 36040.00 110380.50
N-BENZYLOXYCARBONYLGLYCINE ME059022 - - - 41571.00 - -
N-BOC-D-GLUCOSAMINE ME058394 - - 80907.33 149002.00 115923.00 42377.00
N-CYCLOHEXYLFORMAMIDE ME058395 20635.50 48920.00 42342.75 37858.50 29436.75 24170.00
N-CYCLOHEXYLFORMAMIDE ME058396 68688.75 83062.00 60487.07 75427.43 80948.79 85022.00
N-CYCLOHEXYLFORMAMIDE ME058397 - - 30923.00 - 30311.00 -
N-CYCLOHEXYLFORMAMIDE ME058398 68729.50 69046.67 67710.00 74503.14 76961.50 83006.23
N-CYCLOHEXYLSULFAMIC ACID ME058399 7664532.50 5300961.50 2535829.64 2226741.14 4480234.33 4301041.62
N-CYCLOHEXYLSULFAMIC ACID ME058400 - - 28353.00 - 68777.00 139976.00
N-ETHYLMALEIMIDE ME058401 155551.25 236343.50 121638.00 120947.14 157409.77 146910.79
N-FORMYLGLYCINE ME059023 - - - 17405.00 - -
NICOTINAMIDE ME058410 315191.00 184415.00 255816.44 253840.33 307076.10 227107.38
NICOTINAMIDE ADENINE DINUCLEOTIDE ME059024 98010.00 71421.00 108323.00 84402.75 87264.33 88088.71
NICOTINAMIDE HYPOXANTHINE DINUCLEOTIDE ME059025 28422.00 - 42722.57 32044.43 44489.00 36891.17
NICOTINIC ACID ADENINE DINUCLEOTIDE PHOS... ME059026 44870.25 55979.00 51687.73 45435.78 55514.20 43235.18
N-NITROSODIETHANOLAMINE ME058402 - 40931.00 83448.33 152141.50 102834.50 160851.00
N,N,N-TRIMETHYLLYSINE ME058364 45400.25 33076.00 57259.83 41205.58 47111.85 42779.29
NORMETANEPHRINE ME058411 515635.33 376939.50 734966.00 1198022.75 466247.14 313155.08
N(PAI)-METHYL-L-HISTIDINE ME058363 160411.67 172520.00 171790.14 148611.82 152548.29 174681.23
O-ACETYL-L-CARNITINE ME058412 160531.00 52707.33 102733.31 91238.00 51483.50 49481.85
O-ACETYL-L-CARNITINE ME058413 47457041.25 35799544.50 46295584.00 39924245.43 40523887.21 34402918.71
OCTANOYLCARNITINE (*) ME058417 6581803.75 2406758.00 5120748.36 3596811.21 5574944.36 3173557.21
OLEAMIDE ME058418 - - 23313.00 64917.50 - 32633.00
OLEAMIDE ME058420 - - 32958.50 60801.00 25587.00 25192.00
OLEOYLCARNITINE (*) ME058421 998683.75 487984.00 932943.07 682330.00 836827.21 618602.79
OLEOYLCARNITINE (*) ME058422 1892617.50 739750.50 1796242.86 1155809.43 1676859.93 1017865.00
OLEOYLGLYCEROPHOSPHOCHOLINE (*) ME058423 7234482.50 4866460.00 5348668.43 3832364.36 6012976.64 5091336.31
OLEOYLGLYCEROPHOSPHOCHOLINE (*) ME058424 2922158.00 1289919.50 1715273.08 1197147.55 1881824.92 1874925.91
OLEOYLGLYCEROPHOSPHOCHOLINE (*) ME058425 1014702.50 484023.00 631945.50 439233.50 411588.67 556359.60
O-PHOSPHO-DL-SERINE ME058414 - - 17412.00 - 29046.50 -
O-PHOSPHO-DL-SERINE ME059027 - - - - 49247.00 -
O-PHOSPHONOHEXOPYRANOSE ME058415 - - 137354.00 - - 242919.00
OPHTHALMIC ACID ME058426 53951.50 34072.33 56110.75 46409.14 49042.83 45460.20
ORNITHINE ME058427 88639.25 40832.75 39962.00 41689.29 50328.50 44764.69
ORNITHINE ME058428 114585.75 127024.75 110826.42 115358.79 134617.77 126507.54
OXOMALONATE ME058430 - 65740.00 41946.00 215189.75 74787.50 56560.62
PALMITOLEOYLGLYCEROPHOSPHOCHOLINE (*) ME058434 1183715.25 877915.50 1610940.86 1245285.64 1626624.36 1251238.31
PALMITOYLCARNITINE (*) ME058436 1221208.50 667700.00 1446097.57 1170501.86 1199589.50 849425.93
PALMITOYLGLYCEROPHOSPHOCHOLINE (*) ME058440 22792828.25 17845488.50 21740662.86 17487732.29 22055776.93 19515890.21
PALMITOYL SPHINGOMYELIN (*) ME058435 17890154.75 15412760.50 15386152.93 11821504.21 15786172.14 11461297.64
PANTOLACTONE ME058441 294865.00 191215.00 301755.45 251108.40 326755.00 236067.33
PANTOLACTONE ME058442 110544.50 118998.33 165252.14 200382.15 115132.92 143962.00
PANTOTHENIC ACID ME058443 729009.50 866003.25 1121853.23 1139431.21 1184722.57 1157901.29
PANTOTHENIC ACID ME058444 661156.75 735314.25 848204.92 990633.64 1021162.21 1021287.71
PARAOXON-METHYL ME058445 85780.00 90901.67 75155.62 97082.50 69474.09 90582.12
P-BENZOQUINONE ME058431 - 69205.00 67297.50 27066.00 - 48362.50
P-BROMO-DL-PHENYLALANINE ME058432 115107.67 87534.50 76386.86 86191.25 92537.70 88854.36
PENICILLAMINE ME058447 - - - 20238.00 - 28376.00
PENTADECANOYLGLYCEROPHOSPHOCHOLINE/STEAR... ME058448 346798.75 276089.25 367127.00 278234.29 385065.36 301346.93
PENTITOL ME058449 106472.50 118129.75 118313.36 117869.50 120335.50 115648.21
PENTOPYRANOSE ME058450 126754.00 107544.67 98204.00 96256.50 91215.20 94217.75
PHENETHYLAMINE ME058451 - - - 99349.00 - -
PHENYLACETIC ACID ME058452 31712.75 - 43081.20 49207.00 46951.50 40942.88
PHENYLACETIC ACID ME058453 33137.67 29280.33 22216.71 27441.00 26754.83 34364.50
PHENYLACETYLGLUTAMINE (*) ME058454 5167665.00 4134777.50 8834704.46 8998317.64 8672639.43 8072102.71
PHENYLALANINE ME058455 4913492.75 5243023.00 6008767.29 5560046.00 5184991.21 4926274.00
PHENYLALANINE ME058456 226528278.50 287763933.75 251787715.00 301344894.29 259518604.79 278595417.21
PHENYLETHANOLAMINE ME058457 - 19838.00 - - - -
PHENYLPYRUVATE ME059028 - - - - - 15530.00
PHOSPHATE ME058458 42925.00 41196.00 40000.90 36036.00 38690.60 44355.43
PHOSPHOCHOLINE ME058460 - - - 29149.00 17328.00 31443.00
PHOSPHO(ENOL)PYRUVIC ACID ME059029 - 19781.00 26720.40 29441.50 22535.00 25746.00
PHOSPHOETHANOLAMINE ME059030 - - - 21781.00 - -
PHOSPHOGLYCERIC ACID ME059031 - - 20120.67 - - -
PHOSPHONOACETATE ME058461 - 32692.00 48447.00 36288.00 35147.00 -
PHOSPHONOACETATE ME058462 46148.75 51156.75 58267.17 73373.36 56305.14 66444.42
PHTHALATE ME058463 66922.75 67398.75 75775.14 69565.08 64474.93 79947.17
PIMELIC ACID ME058464 164822.00 113082.33 141154.08 123943.69 85822.86 95406.31
PIPECOLIC ACID ME058465 5920106.25 6030177.25 4694655.60 4552022.80 4927180.54 4827861.69
PIPERINE (*) ME058466 4232676.00 7571749.25 4858724.79 4677144.29 4720126.21 4917905.79
POSSIBLE L-LEUCYL-L-LEUCINE ME058467 483914.00 429160.75 401913.07 439544.00 655157.62 438195.29
PREGNENOLONE ME058468 214089.00 251840.50 298652.56 374584.89 435496.00 364444.88
PROGESTERONE ME058471 - - - - - 94311.00
PROGESTERONE ME059032 - - - 53012.00 - -
PRO-HYDROXY-PRO (*) ME058470 440912.00 356325.25 276479.79 259689.36 452455.50 437242.07
PROLINE ME058472 13226794.50 20882356.50 16778189.14 22353403.43 18309949.07 22362199.36
PROMETRYN ME058473 56315.33 174008.00 132118.17 111427.14 77492.00 90080.17
PROMETRYN ME058474 105205.00 101062.00 106820.10 97752.33 96534.44 96474.00
PROPIONYLCARNITINE (*) ME058475 14184040.75 14690422.50 16184614.64 17220576.86 13796549.86 13839563.57
PTERIN ME058478 7084838.25 7391486.00 9075146.93 9282017.36 7898645.57 7989153.21
PTERIN ME058479 - - - - - 4241219.00
PYRIDINE-2,3-DICARBOXYLATE ME059033 - - 21740.00 - - -
PYRIDINE CARBOXYLIC ACID ME058480 38651.00 43069.75 45700.62 52006.64 42774.90 42577.64
PYRIDOXAL ME058482 - - 78845.00 122462.00 179995.00 39295.25
PYRIDOXAMINE ME058483 81985.25 102651.67 100022.69 119042.86 94872.71 113901.64
PYRIDOXINE ME058484 - - 106753.00 - - -
PYROGLUTAMINE (*) ME058485 1203307.50 1222825.75 939929.23 904073.69 1316680.14 1328174.85
QUINATE ME058486 47901.00 41034.00 30672.75 56003.50 40320.67 44385.89
QUINOLIN-2-OL ME058487 - - 19752.00 35395.00 37099.00 27671.00
QUINOLIN-2-OL ME058488 149316.00 161717.33 137264.00 110323.67 417598.57 381522.14
RAFFINOSE ME058489 92777.25 75105.00 127449.07 155441.93 89611.71 127261.43
RETINAL ME058490 - - - - 25409.00 -
RETINAL ME058491 - - - 57037.00 - -
RETINOATE ME058493 305844.00 52804.00 309146.36 136292.93 168595.64 117855.36
RETINOATE ME058494 612817.00 120455.50 651252.92 302389.85 370500.21 269014.50
RETINOL ME058495 49384.00 55981.00 67305.93 55639.10 38714.55 50625.67
RIBOFLAVIN ME058496 129551.33 149609.33 897797.40 1029241.91 1854793.33 2565674.50
RIBOSE 5-PHOSPHATE ME058498 14750.00 14142.00 - - - -
ROSMARINIC ACID ME058499 147118.50 156539.00 161304.71 166614.56 141106.29 146716.78
S-ADENOSYL-L-HOMOCYSTEINE ME058501 27123.50 20603.00 31383.12 30435.00 28116.62 27588.43
S-ADENOSYL-L-HOMOCYSTEINE ME058502 83111.33 68562.67 90656.00 116695.00 90193.44 79142.30
S-ADENOSYL METHIONINE ME058500 62758.75 67819.50 50357.23 43062.20 47952.00 59602.10
SALICYLIC ACID ME058505 29443.00 36563.00 48393.00 37068.38 84217.00 82486.00
SALSOLINOL ME058506 - - 21390.25 29552.71 30072.00 41974.00
SALSOLINOL ME058507 268223.50 232445.00 247275.92 288104.58 272786.91 260936.60
SELENOCYSTAMINE ME058508 175339.67 162043.33 171562.75 174862.91 174977.11 169723.75
SEROTONIN ME058509 1984496.00 - 2379453.00 922902.00 1496712.00 -
S-HEXYL-GLUTATHIONE ME058503 - - 44727.00 - 26031.00 22647.00
S-HEXYL-GLUTATHIONE ME058504 34790.50 - 36578.75 50236.50 246651.33 94563.00
SHIKIMATE ME058510 31618.33 44060.50 38847.50 30734.86 41902.00 40117.50
SN-GLYCERO-3-PHOSPHOCHOLINE ME058511 24610.00 42181.50 23017.00 41029.00 161602.67 53353.50
SORBIC ACID ME058512 - - - - 64282.00 -
SPERMIDINE ME058513 - - 20573.00 - - -
SPERMINE ME058514 380120.25 428434.50 507767.07 742523.14 401151.36 498388.86
SPHINGANINE ME058515 21924.00 - 29477.00 32408.00 137958.67 63038.67
SPHINGANINE ME058516 - - 47875.00 32379.25 57472.00 47130.67
SPHINGOMYELIN ME058517 1882403.50 2446370.75 1567388.14 1878857.29 2538668.73 2326128.62
SPHINGOMYELIN (CATION) ME058518 303265.00 - - 239436.00 278455.50 -
SQUALENE ME058519 94811.50 - 66401.20 81765.33 80838.80 108242.29
STACHYOSE ME058520 97549.00 42930.00 64260.43 87120.14 49652.50 64040.00
STEARAMIDE (*) ME058521 - - 32754.00 39953.00 116845.00 23351.50
STEAROYLCARNITINE (*) ME058524 380919.25 248324.00 354001.57 293971.79 341318.00 269912.21
STEAROYLGLYCEROPHOSPHOCHOLINE (*) ME058525 16855512.25 14456763.75 17242981.79 11615635.29 12802760.21 15572376.43
STEAROYL SPHINGOMYELIN (*) ME058522 1628526.25 1399211.75 1577898.21 1277796.57 1523392.07 1125060.14
STEAROYL SPHINGOMYELIN (*) ME058523 1890980.00 2626322.75 1697954.79 1966611.29 2497004.93 2119173.71
SUBERIC ACID ME058526 47124.50 140276.00 133923.42 131300.08 138113.45 118162.78
SUBERIC ACID ME058527 - - 28908.25 67542.00 15647.00 -
SUCCINATE (*) ME058529 287940.25 267386.75 250906.86 339626.21 335879.93 265348.29
TAURINE ME058530 43153.00 38525.50 46336.27 46855.00 50631.83 46773.92
TAURINE ME058531 43738.67 47294.50 39691.50 47791.10 85264.14 46322.33
TAURINE ME059034 - - 21814.00 - - -
TESTOSTERONE ME058532 799808.50 859037.75 925384.50 948108.80 975557.30 828066.67
TESTOSTERONE ME058533 56015.00 - 36533.00 32626.00 35077.50 26431.00
THEOPHYLLINE ME058534 - 28019.00 100921.75 68210.33 56755.00 31913.50
THIOPURINE S-METHYLETHER ME058535 - 48874.00 67532.00 87687.67 78639.00 48244.00
THREONINE (*) ME058537 320212.00 599338.00 457461.83 507997.64 410970.75 563937.15
THYMIDINE ME058538 35326.00 - 36690.38 41446.50 39412.40 32962.00
THYMIDINE ME058539 115677.67 131393.33 137132.50 117010.11 148189.83 137312.55
THYROXINE ME058540 84646.50 89631.75 100952.50 108854.71 87502.93 74493.43
THYROXINE ME059035 32392.00 17273.00 30569.14 28547.57 22242.57 25835.67
TIGLYL CARNITINE (*) ME058541 874839.50 940236.75 716828.50 858615.86 722879.43 736737.50
TRANS-CYCLOHEXANE-1,2-DIOL ME058542 27903438.75 16865718.25 22917286.43 23056481.21 14231134.21 19232328.00
TRIGONELLINE ME058543 3076743.50 3722587.00 2392150.08 3259636.15 2797286.15 3186625.69
TRIGONELLINE ME058544 - - - 37138.00 - -
TRIMETHYLAMINE ME058545 45960.00 51006.25 32992.08 32607.00 37742.93 32523.67
TRYPTAMINE ME058546 - 15321.00 15965.00 45012.00 25763.00 -
TRYPTOPHAN ME058547 9699054.50 10957171.25 9029964.00 9014104.64 8729840.86 8630860.86
TRYPTOPHAN ME058548 155946342.00 188102760.00 147798794.50 178832400.57 154319163.57 166083920.79
TRYPTOPHANAMIDE ME058553 - 99419.00 112818.50 75244.00 110065.50 93563.00
TRYPTOPHANAMIDE ME058554 22096.00 40377.00 42795.50 30482.25 40560.67 95914.50
TRYPTOPHAN BETAINE (*) ME058549 5010229.25 4588539.25 5257629.29 4846904.43 5974831.50 5411661.38
TRYPTOPHAN BETAINE (*) ME058550 9468486.00 10927159.50 10284535.00 11756015.43 14375245.92 14501082.25
TRYPTOPHAN BETAINE (*) ME058551 2432636.25 2138526.25 3586169.64 2777325.36 3329800.08 2522791.23
TRYPTOPHAN BETAINE (*) ME058552 3718267.75 4590324.67 4492682.85 4463339.15 5476546.00 5119628.00
TYROSINE ME058555 43842772.50 56326712.75 55183711.86 63009859.29 50065116.57 53845515.50
TYROSINE (*) ME058556 2041613.75 2631717.25 2613335.21 2976982.07 2376717.07 2560213.29
URATE ME059036 7411253.00 7026825.00 7879688.69 7391395.07 6855336.14 6502749.64
URATE (*) ME059037 2608697.67 2736842.25 3419652.64 3345099.93 2830327.64 2565082.43
URDINE 5`-DIPHOSPHO-N-ACETYLGALACTOSAMIN... ME059038 28138.00 - 39287.00 32459.00 23306.50 32689.00
UREA ME059039 5272354.50 4627828.75 5420974.67 5121417.86 4877960.43 4782013.67
UREA ME059040 1844572.25 2237592.33 2695335.57 2765163.88 1981046.50 2181750.17
URIDINE ME059041 196219.50 145286.25 171551.71 131654.07 162437.57 127738.57
URIDINE ME059042 320172.75 248023.25 321582.93 298438.29 305792.50 255823.07
URIDINE ME059043 359146.67 284628.50 360793.17 281889.36 365549.31 262663.93
URIDINE 5`-DIPHOSPHATE ME059044 - - - 47673.00 - -
UROCANATE ME059045 356292.25 386626.25 373323.79 396225.86 442802.36 433584.21
URSODIOL ME059046 193118.00 219036.75 310166.54 347077.64 343523.79 347024.92
VALINE ME059047 70422890.50 82446368.00 80833899.36 88737929.14 79272885.79 84729512.86
VALINE ME059048 11118222.75 10758033.75 6873014.36 20042332.79 9655382.43 9067547.57
VALINE (*) ME059049 11887836.25 14139991.75 12752832.93 14253128.36 13323705.93 13553029.00
VALINE (*) ME059050 2322098.00 2277632.25 2011776.29 2415565.43 2299891.50 2282078.57
VITAMIN D2 ME059051 - - - - - 37733.00
VITAMIN D3 ME059052 - - 26438.00 65359.00 58804.00 53902.33
XANTHINE ME059053 183719.50 147234.00 394969.17 363351.25 560980.54 664937.00
XANTHOSINE ME059054 55991.00 62849.00 161766.60 137115.29 191209.60 141673.00
XANTHURENIC ACID ME059055 71417.50 127387.00 109100.58 122044.77 107093.75 111987.91

Factors:

F1Constitution:Lean | Visit:1 | Sampling time:0 min
F2Constitution:Lean | Visit:1 | Sampling time:60 min
F3Constitution:Obese | Visit:1 | Sampling time:0 min
F4Constitution:Obese | Visit:1 | Sampling time:60 min
F5Constitution:Obese | Visit:2 | Sampling time:0 min
F6Constitution:Obese | Visit:2 | Sampling time:60 min
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