Data for ST001658
| Metabolite structure | All data | F1 | F2 | F3 |
|---|---|---|---|---|
| 11-Aminoundecanoic acid | 209400260.60 | 101518773.80 | 45155298.82 | |
| [(1,2-Dioxo-1,2-ethanediyl)bis(oxy)]diammonium | 23346820.17 | 2870914.81 | 6016700.91 | |
| 1-{[(3S,4S,5R)-2,3,4-Trihydroxy-5-(hydroxymethyl)tetrahydro-... | 378305.82 | 23047244.39 | 196261633.90 | |
| 1-(beta-D-Ribofuranosyl)-1,2-dihydropyrimidine | 3686062.60 | 16190548.94 | 169919.39 | |
| 1-(beta-D-Ribofuranosyl)-1,4-dihydronicotinamide | 7463786.91 | 13080200.23 | 1181902.78 | |
| 2,2,6,6-Tetramethyl-1-piperidinol (TEMPO) | 48760586.55 | 928390.36 | 858410.08 | |
| 2-[(2-Methylimidazo[1,2-a]pyridin-3-yl)carbonyl]hydrazine-1-... | 451867.05 | 25109645.15 | 5869938315.00 | |
| 2-[(2-Methylimidazo[1,2-a]pyridin-3-yl)carbonyl]hydrazine-1-... | 176234.36 | 136304351.00 | 13616533.58 | |
| 2,4,6-triaminotoluene | 42194744.30 | 173831.96 | 3879205.59 | |
| 2,4-Dimethyloxazole | 134877.37 | 621030.35 | 17964074.02 | |
| 2-Acetamido-2-deoxyglucose | 215648.34 | 175904.69 | 28923228.97 | |
| 2-Acetamido-2-deoxyglucose (2) | 158904.85 | 322428.50 | 8805355.63 | |
| 2-Amino-1H-benzimidazole | 4833567.87 | 4858541.63 | 7927757.53 | |
| 2-Amino-2-deoxy-4-O-beta-D-galactopyranosyl-D-glucose | 425674.28 | 122937532.70 | 1861201.37 | |
| 2-Amino-3-(1H-imidazol-4-yl)propan-1-ol | 1011287.25 | 214303.23 | 16814382.03 | |
| 2^-deamino-2^-hydroxy-6^-dehydroparomamine | 370951.71 | 476842.64 | 333957976.80 | |
| 2^-Deoxyadenosine | 898400.85 | 30000679.17 | 39581207.15 | |
| 2^-deoxymugineic acid | 712698.90 | 4274494.25 | 3883600715.00 | |
| 2^-deoxymugineic acid (2) | 241705.70 | 486358.02 | 905494491.90 | |
| 2-(Diethylamino)ethanol | 1477986928.00 | 420252212.70 | 345840275.00 | |
| 2-(Diethylamino)ethanol (2) | 626909457.70 | 311840745.50 | 206059047.00 | |
| 2-Hydroxyfelbamate | 413570.99 | 74617138.91 | 3548415.89 | |
| 2-Oxo-4-pentenoic acid | 455312.09 | 600812.51 | 109790083.50 | |
| (2S)-2-Piperazinecarboxamide | 579026.29 | 534543.92 | 443920988.10 | |
| (2S)-2-Piperazinecarboxamide (2) | 42264159.25 | 14664078.73 | 81414723.20 | |
| (2S)-3-Hydroxy-2-({[(3S,4S,5R)-2,3,4-trihydroxy-5-(hydroxyme... | 909103.42 | 1134365.57 | 1056314630.00 | |
| (2S)-3-Hydroxy-2-({[(3S,4S,5R)-2,3,4-trihydroxy-5-(hydroxyme... | 368303.58 | 855290.68 | 618968769.00 | |
| (2S)-3-Hydroxy-2-({[(3S,4S,5R)-2,3,4-trihydroxy-5-(hydroxyme... | 377014.19 | 375194.89 | 186308372.50 | |
| (2S)-3-Methyl-2-({[(3S,4S,5R)-2,3,4-trihydroxy-5-(hydroxymet... | 230986.25 | 2710078.00 | 20865079.44 | |
| (2Z)-2-Aminobut-2-enoate | 1531470.45 | 2190933.69 | 227069785.20 | |
| 3,4-Diaminopyridine | 187869.33 | 163601.81 | 243293768.00 | |
| 3-Methyl-6,7,8-trihydropyrrolo[1,2-a]pyrimidin-2-one | 3465525.04 | 28989133.24 | 422578.20 | |
| 4-(2-Carboxy-1-azetidinyl)-N-(3-carboxy-3-hydroxypropyl)thre... | 808018.22 | 853569.61 | 277511859.20 | |
| 4,6-Dimethyl-2(1H)-pyrimidinone | 79911359.52 | 31783330.56 | 23444398.94 | |
| 4,6-Dimethyl-2(1H)-pyrimidinone (2) | 26291180.11 | 10175015.44 | 13095557.33 | |
| 4-ACETAMIDOBUTYRIC ACID | 436752385.50 | 4777906436.00 | 36484692.23 | |
| 4-Aminopyridine | 54123804.83 | 155861.54 | 1617548.29 | |
| 4-Aminopyridine (2) | 2107087.84 | 3393092.47 | 43335198.88 | |
| 4-Imidazolemethanol | 87928563.79 | 2500673.61 | 28534316.11 | |
| 4-methylthio-2-oxobutanoic acid | 330182.38 | 220019.86 | 424255710.40 | |
| 4-Morpholinylacetic acid | 201579757.30 | 4651829169.00 | 34526634.96 | |
| 4-Nitroaniline | 128710495.50 | 1853248.74 | 2907489.69 | |
| 4-Nitroaniline (2) | 2286780.48 | 23073702.16 | 26749183.07 | |
| (4R)-4-{[(4R)-4-Hydroxy-1-methyl-L-prolyl]oxy}-1-methyl-L-pr... | 16256893.92 | 92632875.51 | 52887756.14 | |
| 5-(N,N-Dimethylcarbamimidamido)-2-oxopentanoic acid | 177984.56 | 2228200.13 | 41047748.85 | |
| 6-Oxolysine | 344344.88 | 2872699.34 | 54029444.74 | |
| 6-Oxolysine (2) | 159251.67 | 6302313.93 | 40937430.45 | |
| 6-Oxo-pipecolinic acid | 578920.63 | 55650484.70 | 3197165.77 | |
| (±)-Abscisic acid | 65175333.46 | 719505.22 | 6046618.00 | |
| ACPC | 1549455.24 | 2482432.47 | 1890000255.00 | |
| ACPC (2) | 730482.74 | 1368555.69 | 1740956638.00 | |
| agmatine | 221605.88 | 450386.59 | 29669411.32 | |
| agmatine (2) | 120658.22 | 159507.47 | 7827827.51 | |
| ala-ser | 169110.83 | 205038.19 | 14518806.44 | |
| Aminolevulinic acid | 1149307.63 | 4061235.86 | 228583394.30 | |
| Aminolevulinic acid (2) | 929831.64 | 3407161.61 | 99127515.11 | |
| Aminolevulinic acid (3) | 3582459.78 | 72069386.93 | 7928072.55 | |
| Aminolevulinic acid (4) | 308643.17 | 1513861.98 | 47929973.12 | |
| Aminolevulinic acid (5) | 523297.25 | 2365154.10 | 33330646.17 | |
| Aminolevulinic acid (6) | 287663.37 | 410136.53 | 14325229.29 | |
| APM | 170028.82 | 36275076.46 | 444997.34 | |
| arg-ala | 184036.06 | 213238.41 | 36144213.39 | |
| Arg-pro | 276159.75 | 23136946.05 | 589948.38 | |
| Arg-pro (2) | 113117.10 | 153458.56 | 10309598.31 | |
| Betaine | 31666871.22 | 1017550874.00 | 21910031.43 | |
| Betaine (2) | 481655678.70 | 19978137.80 | 34294000.78 | |
| Boc-Asn-Oh | 1325461.72 | 1948748.57 | 79033027.34 | |
| Butabarbital | 18522218.75 | 30816640.44 | 1680542.73 | |
| butalbital | 20044071.15 | 4098379.40 | 743718.42 | |
| Butoctamide semisuccinate | 70395915.20 | 41100692.26 | 16578209.78 | |
| Caprolactam | 4722492473.00 | 406127862.90 | 16354785.50 | |
| Caprolactam (2) | 818702361.20 | 1012476704.00 | 19680653.24 | |
| Caprolactam (3) | 20348223.42 | 37453599.61 | 6422425.44 | |
| Carbofuran | 209912.40 | 4034941.97 | 20053677.23 | |
| Choline | 79486273.50 | 9420361.19 | 10925870.45 | |
| Choline Alfoscerate | 376720.70 | 5153862.57 | 962194118.80 | |
| Coprine | 4745804.57 | 22221069.75 | 193705072.10 | |
| Cyclohexylamine | 267151089.20 | 154914674.60 | 162546876.70 | |
| Cyprodenate | 84363086.17 | 11556532.58 | 21456819.24 | |
| Cyprodenate (2) | 7962776.96 | 8858045.95 | 7094156.67 | |
| Daminozide | 255467.13 | 2309020.33 | 48956676.78 | |
| Desoxymycin | 74013079.10 | 15974158.38 | 8829712.20 | |
| D-Glucosamine | 438965.62 | 1690979.41 | 3584308790.00 | |
| D-Glucosamine (2) | 2181939.43 | 122564335.50 | 13712783.82 | |
| D-Glucosamine (3) | 240450.12 | 38259261.08 | 9649924.87 | |
| D-(-)-Glutamine | 652700.78 | 514071.89 | 20058629155.00 | |
| Dibutyl phthalate | 4151309.51 | 6707372.11 | 5435145.99 | |
| DL-Arginine | 1353914.42 | 1242737.23 | 39646928501.00 | |
| DL-Arginine (2) | 150767.47 | 102818.31 | 7132408411.00 | |
| DL-Arginine (3) | 104620.82 | 203512.79 | 1038076005.00 | |
| DL-Carnitine | 29641241.36 | 6991453.39 | 442289.69 | |
| DL-Glutamine | 205152.98 | 228079.52 | 17665414.44 | |
| DL-Histidine | 146418.39 | 395280.57 | 1071240223.00 | |
| DL-Histidine (2) | 172619.77 | 176145.11 | 66583096.15 | |
| D-Serine | 339327.18 | 359367.41 | 105685274.50 | |
| Dulcin | 6802755.75 | 20404178.61 | 857262.03 | |
| Ethephon | 37375570.86 | 10050928.77 | 10735772.94 | |
| (+)-Eudesmin | 158964747.10 | 36782994.48 | 46686351.74 | |
| Fucosamine | 114361694.90 | 51369222.17 | 13101529.64 | |
| Gabapentin | 16928274.31 | 5384818.17 | 7838828.89 | |
| gaboxadol | 11739192.71 | 20606051.80 | 1519385.48 | |
| Galactosamine | 876332.54 | 1546643.20 | 13955874326.00 | |
| gamma-Aminobutyric acid | 34666473.30 | 115702700.40 | 4254629.85 | |
| g-Butyrobetaine | 25442572.78 | 709866.63 | 1711215.90 | |
| g-Guanidinobutyrate | 24523687.36 | 1500424.03 | 17297914.24 | |
| glu-pro | 1324308.92 | 30109102.21 | 144496613.40 | |
| glu-thr | 577911.94 | 647293.04 | 20602957.81 | |
| glyceraldehyde 3-phosphate | 46008734.88 | 10715634.48 | 11953333.62 | |
| Glycine | 499972.34 | 809888.33 | 12491106.74 | |
| Glycyl-4-hydroxyproline | 360767.42 | 532720.11 | 37808015.14 | |
| Gly-l-pro | 11681948.46 | 114413644.30 | 1049213031.00 | |
| Gly-Lys | 48978337.01 | 334420.52 | 260675.29 | |
| Guvacine | 666046.93 | 28825734.32 | 2713401.07 | |
| HEPES | 216280.03 | 228081.46 | 51475387.65 | |
| Hexaconazole | 326771.22 | 41211363.46 | 3200601.02 | |
| Hexaconazole (2) | 468788.82 | 39205127.69 | 4718634.22 | |
| Histamine | 134462.78 | 162171.03 | 23394716.92 | |
| Homoanserine | 133248.92 | 111307.94 | 12506207.79 | |
| Homocitrulline | 33799363.29 | 2964652.60 | 553189.01 | |
| Homo-L-arginine | 144661.21 | 120244.25 | 36676529.11 | |
| Homo-L-arginine (2) | 157342.88 | 190770.16 | 17411756.03 | |
| Imidazolepropionic acid | 1285960.74 | 42750123.83 | 1250665758.00 | |
| Kanosamine | 2308528.32 | 3798042.00 | 17485098952.00 | |
| Kanosamine (2) | 1462243.50 | 2401009.94 | 6251175858.00 | |
| Kanosamine (3) | 5648668.61 | 403870833.20 | 21898939.63 | |
| L-(+)-Alanine | 264766.31 | 145870.77 | 10091939.89 | |
| L-Alanyl-L-proline | 473719661.40 | 4383471912.00 | 29346948.21 | |
| L-Alanyl-L-proline (2) | 353715874.90 | 874149006.10 | 170539615.40 | |
| L-Alanyl-L-proline (3) | 366155172.20 | 91180246.83 | 816465.68 | |
| L-(-)-Asparagine | 506189.19 | 382687.34 | 836740693.50 | |
| L-(+)-Aspartic acid | 175800.40 | 10452218.41 | 901738.21 | |
| L-Aspartic acid | 2053563.48 | 276410.85 | 1991700019.00 | |
| Lauramide | 11819031.85 | 14152949.71 | 14203506.68 | |
| lentiginosine | 52237640.41 | 2760668.71 | 2273708.43 | |
| L-Glutamic acid | 903116.87 | 2114555.97 | 26894123120.00 | |
| L-Glutamic acid (2) | 433807.13 | 1123692.58 | 8157580873.00 | |
| L-Glutamic acid (3) | 140308.26 | 172494.52 | 6462095532.00 | |
| L-Glutamic acid (4) | 91226684.64 | 15594910.39 | 1240432458.00 | |
| L-Glutamic acid (5) | 44303.04 | 38616.09 | 16183840.44 | |
| Linamarin | 192473.97 | 958957.49 | 15961659.23 | |
| L-Proline | 4617776.50 | 79308096.47 | 309329836.10 | |
| L-Pyroglutamic acid | 732908.90 | 1456313.05 | 27920167574.00 | |
| L-Pyroglutamic acid (2) | 14735276.27 | 2672588.25 | 4700252869.00 | |
| L-Pyroglutamic acid (3) | 280481.27 | 1455768.00 | 2864482262.00 | |
| L-Pyroglutamic acid (4) | 235591.56 | 278497.03 | 1950015778.00 | |
| L-(-)-Serine | 265371.02 | 553382.91 | 2005240228.00 | |
| L-Theanine | 149546.09 | 198841.17 | 23963699.14 | |
| LU3453000 | 1605642.48 | 6017551.08 | 782870417.10 | |
| LU3453000 (2) | 389651.20 | 661869.01 | 190676494.10 | |
| Lysylvaline | 152670.06 | 241955.24 | 42048150.71 | |
| MA4000000 | 47394346.47 | 55064300.41 | 19380141.71 | |
| MA4000000 (2) | 680838.83 | 837819.10 | 26435674.37 | |
| metharbital | 640751.62 | 5378731.37 | 81798886.10 | |
| MFCD00037215 | 399063.82 | 301011.65 | 377374173.40 | |
| MFCD00041932 | 44878702.79 | 2288133.77 | 193581.03 | |
| MFCD00055782 | 485899.18 | 1845545.12 | 11185552.48 | |
| MFCD01664827 | 169885.56 | 26725161.68 | 956068.09 | |
| Midodrine | 1748505.20 | 24114520.60 | 1148263.78 | |
| Miglitol | 4333489.05 | 2235048.81 | 72095932.22 | |
| Muramic acid | 540866.65 | 26892511.43 | 20422243194.00 | |
| muramic acid (2) | 351091.05 | 11233521.73 | 2110117199.00 | |
| muramic acid (3) | 289824.24 | 4318247.71 | 1760900213.00 | |
| Muramic acid (4) | 1221023.45 | 611023851.70 | 22822056.23 | |
| Muramic acid (5) | 293708.67 | 90215712.71 | 31767842.63 | |
| N~1~-Isopropyl-2-methylpropan-1,2-diamin | 20032146.62 | 39011294.69 | 901876.98 | |
| N-((4-AMINO-2-METHYL-5-PYRIMIDINYL)METHYL)FORMAMIDE | 371922915.40 | 282451.89 | 1088345.78 | |
| N6-METHYLLYSINE | 189081.90 | 190397.78 | 89175319.22 | |
| N6-METHYLLYSINE (2) | 150339.29 | 174194.73 | 63390708.68 | |
| N~6~,N~6~-Dimethyllysine | 157802.59 | 196366.96 | 256015731.10 | |
| N-Acetyl-D-mannosaminolactone | 106115.46 | 330527.46 | 9338902.57 | |
| N-acetyl-LL-2,6-diaminopimelic acid | 148423.11 | 772592.45 | 14711410.24 | |
| N-Acetylneuraminic acid | 1454729.12 | 3869665.89 | 975622665.20 | |
| N-Acetylputrescine | 3173753968.00 | 796666955.20 | 2198130.69 | |
| NI3400000 | 12279731.54 | 1768028.14 | 28740942.51 | |
| nicotianamine | 355172.31 | 416965.49 | 108762114.00 | |
| NJ5000000 | 186426.11 | 233711.25 | 121347613.00 | |
| NJ5000000 (2) | 167634.13 | 139339.64 | 57523230.23 | |
| N-methylethanolamine phosphate | 360701126.80 | 7720643.59 | 315853.06 | |
| N-Methylglutamate | 43715902.14 | 1754548.41 | 2242557.67 | |
| N,N-diacetyllegionaminic acid | 242489.45 | 315588.87 | 600965048.50 | |
| N,N-diacetyllegionaminic acid (2) | 201828.50 | 244706.68 | 113773097.10 | |
| N,N-diacetyllegionaminic acid (3) | 182092.17 | 167713.01 | 110404877.20 | |
| N,N-dimethylarginine | 150182.69 | 195455.88 | 113530843.60 | |
| N,N-Dimethylglycine | 621047.04 | 73316836.03 | 1158038.84 | |
| N-Nitrosoguvacoline | 384852.82 | 372157.45 | 412492167.10 | |
| NPYR | 23775602.82 | 14121484.14 | 26302081.74 | |
| NPYR (2) | 25792467.39 | 18401693.77 | 25254816.04 | |
| N-succinyl-LL-2,6-diaminopimelic acid | 408600.91 | 399930.68 | 38264496.40 | |
| N-tetracosanoylsphinganine-1-phosphocholine | 10356545.42 | 36967.41 | 432612.17 | |
| N-Undecanoylglycine | 35429253.45 | 9698416.97 | 5013010.47 | |
| nylon cyclic dimer | 14116315.60 | 6387831.41 | 6240335.61 | |
| Oryzalin metabolite | 1197743607.00 | 1030349828.00 | 12741365.75 | |
| Paracetamol | 34878708.47 | 1680959.75 | 35931934.63 | |
| PEG-4 | 136129656.80 | 43366840.81 | 39865334.93 | |
| pentetrazol | 150801.45 | 125348.10 | 18635734.76 | |
| pentobarbital | 284127285.00 | 117089195.70 | 941713.03 | |
| Phenylhydrazine | 793256.65 | 14013564.30 | 1964492.53 | |
| Phenylisocyanate | 11527632.05 | 112505.66 | 176968.01 | |
| Picolinamide | 2908983.89 | 89675539.69 | 178205422.90 | |
| Proacacipetalin | 163050.26 | 5040954.44 | 38597367.18 | |
| pro-gln | 320742.95 | 3555738.01 | 78723908.23 | |
| Proline | 1040340.66 | 8374289644.00 | 80806937.84 | |
| Proline (2) | 239571479.90 | 131067851.50 | 22608036.63 | |
| Pulcherriminic acid | 14267476.84 | 17810751.54 | 667122.87 | |
| PYRIDOXAMINE | 146424246.80 | 451792244.00 | 1890100.52 | |
| Pyrogallol | 183639.02 | 238997.75 | 57089875.55 | |
| Reduced Glutathione | 153700.15 | 134629.95 | 23412344.89 | |
| RG8841500 | 8876211.94 | 16104420.08 | 516924.19 | |
| S-Allyl propanethioate | 138442.99 | 99446.18 | 230033128.40 | |
| spinacine | 191544.83 | 123329.74 | 102714293.70 | |
| Streptamine | 448428.84 | 693192.10 | 221490547.30 | |
| Streptamine (2) | 231138.87 | 1368849.22 | 122258227.30 | |
| tert-Butyl 3-amino-1-methyl-2,3-dioxopropylcarbamate | 907439.23 | 5034903.52 | 20412539.78 | |
| Tetraacetylethylenediamine | 733157.28 | 34846167.01 | 242417039.90 | |
| THP(A) | 2539434.31 | 5100437.48 | 2573542874.00 | |
| Threonine | 1988325.39 | 11143311.03 | 26839802722.00 | |
| Threonylserine | 183207.58 | 189680.23 | 11686971.33 | |
| Tiformin | 75572326.82 | 847365.47 | 349550.87 | |
| tin(ii) hydride | 163288918.70 | 296074427.80 | 13140728.45 | |
| Triethanolamine | 59438906.76 | 36727006.18 | 6663634.07 | |
| Triethylamine | 45274353.62 | 1748997.01 | 17284600.27 | |
| Triethylamine (2) | 13375653.29 | 1333271.22 | 1771494.41 | |
| trimethadione | 1601120.98 | 1775869.61 | 2038884700.00 | |
| trimethadione (2) | 892134.60 | 945445.02 | 702224323.50 | |
| trimethadione (3) | 1577475.70 | 2779330.89 | 716102886.80 | |
| trimethadione (4) | 55497190.51 | 2615913.65 | 4492577.17 | |
| trimethylglycine | 437303126.60 | 109476467.00 | 39479416.15 | |
| Tris(hydroxymethyl)aminomethane | 312937.29 | 399549.24 | 41301629.25 | |
| UB6600000 | 837828444.70 | 13909529.98 | 13181440.19 | |
| val-arg | 163436.96 | 299577.05 | 106138127.40 | |
| Val-lys | 164276.58 | 217169.97 | 31514471.82 | |
| Veronal | 135049416.90 | 8306220.78 | 859878.00 | |
| Veronal (2) | 7834142.97 | 1802088.75 | 16119564.66 | |
| YU0650000 | 1293817.08 | 1238442.11 | 20776850.54 | |
| ZV4 | 776703456.20 | 11794276.02 | 26647662.35 | |
| β-Alanine | 8619658.28 | 62818299.60 | 2396410660.00 | |
| β-Alanine (2) | 5708691.06 | 32905884.20 | 584682535.10 | |
| β-Alanine (3) | 2749406.51 | 31553350.21 | 141874585.30 |
Factors:
| F1 | Treatment:HPLC fraction 4 |
| F2 | Treatment:HPLC fraction 5 |
| F3 | Treatment:HPLC fraction 6 |
