Data for ST002976
| Metabolite structure | All data | F1 | F2 | F3 | F4 |
|---|---|---|---|---|---|
| 11a-Hydroxyprogesterone | 411.78 | 463.33 | 372.89 | 286.89 | |
| 1,3,7-Trimethyluric acid | 688.00 | 803.17 | 241.50 | 591.56 | |
| 17-Hydroxyprogesterone | 15870.80 | 13864.00 | 16150.80 | 16305.00 | |
| 1-Methyladenosine | 966.40 | 1253.83 | 672.86 | 934.00 | |
| 2,2-Dimethylsuccinic acid | 1307.33 | 1455.83 | 1190.80 | 1167.17 | |
| 2,3-Butanediol | 1738.80 | 1648.50 | 1603.20 | 1470.83 | |
| 2,3-Diaminopropionic acid | 1126.00 | 1084.80 | 1057.00 | 878.36 | |
| 2^-Deoxyguanosine 5^-monophosphate | 358.29 | 275.00 | 574.60 | 1643.33 | |
| 2-Ethyl-2-hydroxybutyric acid | 507.11 | 426.00 | 492.00 | 505.60 | |
| 2-Hydroxyadenine | 40723.40 | 48222.33 | 7828.40 | 33763.50 | |
| 2-Methyl-3-ketovaleric acid | 549.33 | 598.89 | 678.25 | 549.00 | |
| 2-Phenylbutyric acid | 1505.00 | 1488.00 | 1446.80 | 1373.33 | |
| 2-Pyrrolidinone | 3781.60 | 2264.50 | 6402.80 | 3734.83 | |
| 3a,6b,7b-Trihydroxy-5b-cholanoic acid | 322.00 | 356.18 | 521.75 | 372.17 | |
| 3b-Hydroxy-5-cholenoic acid | 466.80 | 452.00 | 502.60 | 485.50 | |
| 3-Hexenedioic acid | 7546.80 | 7097.83 | 4893.80 | 8285.67 | |
| 3-Methylhistamine | 429.50 | 466.55 | 699.00 | 338.83 | |
| 3-Methylindole | 1164.40 | 652.55 | 2426.40 | 868.33 | |
| 3-Nitrotyrosine | 1442.20 | 1811.27 | 345.33 | 572.25 | |
| 3-Phenylbutyric acid | 31037.60 | 31594.17 | 31189.00 | 31402.00 | |
| 4-Guanidinobutanoic acid | 1663.80 | 1230.00 | 2013.14 | 1348.67 | |
| 5-Aminolevulinic acid | 794.20 | 854.83 | 501.00 | 870.67 | |
| 5-Hydroxytryptophol | 630.80 | 499.67 | 805.40 | 424.50 | |
| 5-Methoxytryptophan | 585.71 | 636.33 | 595.67 | 402.22 | |
| 5-Methoxytryptophol | 392.80 | 414.50 | 397.25 | 302.00 | |
| 5^-Methylthioadenosine | 36278.60 | 34773.58 | 59320.40 | 44791.50 | |
| 5-Phenylvaleric acid | 469.80 | 448.73 | 335.56 | 517.00 | |
| 6-(Methylamino) purine | 613.20 | 544.75 | 657.20 | 402.00 | |
| 7-Methylguanine | 8155.60 | 3960.91 | 1406.86 | 4076.91 | |
| 7-Methylxanthine | 9318.60 | 10709.17 | 9458.40 | 9276.33 | |
| 8,11,14-Eicosatrienoic acid | 586.60 | 520.50 | 557.80 | 517.00 | |
| Acetoin | 37611.40 | 43014.67 | 37394.20 | 33771.67 | |
| Acetone | 1338.80 | 1184.83 | 1285.20 | 1278.50 | |
| Acrylamide | 312.00 | 357.09 | 530.22 | 351.50 | |
| Adenine | 5528.20 | 12210.50 | 37700.80 | 5442.00 | |
| Adenosine | 11403.60 | 27338.00 | 82217.20 | 10681.67 | |
| Adenosine monophosphate | 12761.33 | 16019.83 | 63970.40 | 34578.00 | |
| Adenylsuccinic acid | 3946.75 | 3733.80 | 17436.20 | 4580.18 | |
| ADP | 370.00 | 465.45 | 411.00 | 455.80 | |
| All-trans-retinoic acid | 451.78 | 550.73 | 484.40 | 472.33 | |
| Alpha-hydroxyhippuric acid | 491.25 | 617.33 | 1035.60 | 675.00 | |
| Aminoadipic acid | 1340.00 | 1039.33 | 3860.20 | 1206.50 | |
| Androstenedione | 803.80 | 787.50 | 828.40 | 881.33 | |
| Androsterone | 40989.20 | 41641.00 | 41285.40 | 41635.64 | |
| Aniline | 478.60 | 406.18 | 591.20 | 529.20 | |
| Aspartame | 1973.00 | 1094.00 | 673.60 | 1036.73 | |
| Asymmetric dimethylarginine | 1303.80 | 1251.50 | 840.80 | 1118.83 | |
| Atenolol | 1704.40 | 836.91 | 5849.20 | 1626.55 | |
| Benzaldehyde | 9285.80 | 6352.00 | 7077.60 | 9180.17 | |
| Benzoic acid | 2779.11 | 2370.44 | 1867.40 | 2409.78 | |
| Beta-Alanine | 1673.00 | 1128.33 | 867.20 | 1277.00 | |
| Butanone | 332.50 | 401.82 | 428.75 | 625.20 | |
| Cis-Aconitic acid | 327.00 | 510.67 | 363.60 | 253.50 | |
| Cortexolone | 1756.80 | 325.25 | 417.43 | 264.00 | |
| Cortisol | 1183.25 | 792.60 | 704.33 | 793.40 | |
| Creatine | 975.00 | 878.20 | 401.33 | 728.83 | |
| Creatinine | 475.20 | 333.20 | 616.89 | 528.86 | |
| Cyclic AMP | 2977.78 | 2725.60 | 614.86 | 3858.17 | |
| Cytidine | 957.50 | 956.33 | 722.40 | 1051.33 | |
| Cytidine monophosphate | 2098.00 | 3438.00 | 459.60 | 3084.50 | |
| Cytosine | 6142.60 | 9777.00 | 384.00 | 8081.82 | |
| Daidzein | 380.40 | 486.67 | 248.50 | 374.40 | |
| D-Arginine | 1545.25 | 712.44 | 839.50 | 738.50 | |
| DCMP | 535.67 | 537.60 | 580.00 | 424.25 | |
| Deoxyadenosine | 362.80 | 455.60 | 1823.25 | 282.40 | |
| Deoxyadenosine monophosphate | 483.20 | 506.55 | 498.67 | 500.00 | |
| Deoxycytidine | 1828.60 | 1507.17 | 1165.80 | 1384.83 | |
| Deoxyinosine | 438.22 | 554.89 | 202.00 | 472.40 | |
| DGTP | 497.20 | 520.36 | 457.80 | 433.50 | |
| Diacetyl | 15671.00 | 15800.00 | 15391.00 | 15585.00 | |
| Digoxin | 1004.00 | 1298.33 | 887.33 | 781.00 | |
| DL-2-aminooctanoic acid | 6993.80 | 6904.00 | 6467.78 | 10859.67 | |
| D-Serine | 1160.22 | 553.78 | 286.25 | 1123.82 | |
| Elaidic acid | 382.40 | 361.67 | 421.80 | 391.00 | |
| Epicatechin | 563.43 | 674.60 | 412.29 | 318.00 | |
| Estriol | 365.00 | 566.50 | 451.43 | 526.00 | |
| Ethanolamine | 439.56 | 392.00 | 461.20 | 478.73 | |
| Flavin mononucleotide | 242.00 | 246.80 | 467.80 | 313.75 | |
| Galactitol | 967.43 | 1042.33 | 773.71 | 557.50 | |
| Glucaric acid | 417.20 | 527.00 | 303.80 | 350.00 | |
| Glucosamine | 705.40 | 1097.33 | 473.56 | 917.64 | |
| Glutathione | 43195.80 | 34256.83 | 12771.40 | 41297.17 | |
| Glycerophosphocholine | 12695.20 | 8682.33 | 13518.20 | 10106.50 | |
| Glycocholic acid | 843.56 | 747.82 | 570.00 | 685.14 | |
| Guanosine | 22033.40 | 24405.17 | 4282.40 | 16191.00 | |
| Guanosine 5^-diphosphate | 432.67 | 317.11 | 482.80 | 410.89 | |
| Guanosine monophosphate | 11178.80 | 14606.17 | 17423.00 | 17726.73 | |
| Hippuric acid | 372.00 | 460.50 | - | 319.50 | |
| Histamine | 564.25 | 443.09 | 592.50 | 300.00 | |
| Homocitrulline | 770.00 | 675.80 | 759.40 | 603.09 | |
| Hydrocinnamic acid | 495.78 | 448.67 | 268.57 | 477.78 | |
| Hydroxyoctanoic acid | 820.40 | 881.83 | 829.00 | 833.50 | |
| Hypoxanthine | 157540.20 | 157674.17 | 121450.60 | 151893.50 | |
| Ibuprofen | 433.80 | 397.50 | 471.40 | 475.83 | |
| Indole | 1901.00 | 1285.40 | 1060.44 | 1358.33 | |
| Indole-3-carbinol | 781.33 | 680.91 | 751.40 | 548.00 | |
| Indoleacrylic acid | 738.20 | 433.60 | 325.71 | 727.60 | |
| Inosine | 57384.40 | 57070.33 | 41728.80 | 55435.67 | |
| Isocaproic acid | 2545.40 | 2590.33 | 2520.60 | 2332.17 | |
| Isopropyl alcohol | 1165.20 | 1165.75 | 1038.50 | 1221.80 | |
| Isovalerylcarnitine | 12582.80 | 11588.67 | 12077.00 | 12242.67 | |
| Isovalerylglycine | 2472.80 | 2626.17 | 1361.00 | 1816.83 | |
| L-Acetylcarnitine | 114145.60 | 113536.00 | 78049.20 | 130490.00 | |
| L-Alanine | 753.33 | 500.20 | 292.67 | 600.36 | |
| L-Aspartic acid | 707.33 | 682.33 | 701.80 | 612.86 | |
| L-Aspartyl-L-phenylalanine | 1852.60 | 1001.50 | 1382.40 | 1312.17 | |
| L-Carnitine | 6073.20 | 8370.00 | 4831.00 | 5988.00 | |
| Leucinic acid | 533.75 | 428.36 | 589.43 | 449.82 | |
| L-Fucose | 926.80 | 1075.50 | 908.20 | 810.60 | |
| L-Glutamic acid | 3732.20 | 3572.00 | 2441.80 | 2106.33 | |
| L-Isoleucine | 3977.40 | 3433.33 | 2136.20 | 4016.83 | |
| L-Kynurenine | 641.33 | 601.56 | 474.00 | 479.67 | |
| L-Leucine | 6876.22 | 5459.09 | 3646.44 | 3932.50 | |
| L-Malic acid | 2584.00 | 3081.17 | 793.00 | 2017.83 | |
| L-Methionine | 2585.80 | 2201.67 | 1113.56 | 2346.17 | |
| L(-)-Nicotine pestanal | 949.80 | 814.67 | 2302.20 | 1086.17 | |
| L-Norleucine | 759.60 | 923.67 | 718.00 | 819.67 | |
| L-Phenylalanine | 29588.60 | 19268.50 | 16804.40 | 19576.50 | |
| L-Proline | 9804.00 | 8999.83 | 11117.00 | 9285.50 | |
| L-Valine | 2129.60 | 1505.17 | 1293.20 | 1984.67 | |
| Maltitol | 8699.20 | 11199.17 | 6448.60 | 5435.67 | |
| m-Coumaric acid | 5947.20 | 4729.27 | 4520.67 | 4182.40 | |
| Medroxyprogesterone | 889.60 | 878.00 | 978.40 | 944.17 | |
| Melatonin | 811.33 | 1111.67 | 1323.00 | 853.33 | |
| Methylglutaric acid | 753.20 | 820.33 | 554.20 | 804.83 | |
| Methylmalonic acid | 355.40 | 331.50 | 499.78 | 454.55 | |
| Methylsuccinic acid | 522.44 | 515.67 | 504.00 | 467.45 | |
| Metoprolol | 645.60 | 849.33 | 646.40 | 573.83 | |
| N1-Acetylspermine | 453.50 | 437.75 | - | 455.33 | |
| N6-Acetyl-L-lysine | 467.00 | 412.33 | 423.20 | 367.83 | |
| N-Acetylglutamic acid | 877.00 | 921.78 | 516.00 | 655.78 | |
| N-Acetyllactosamine | 378.00 | 634.00 | 2462.80 | 476.00 | |
| N-Acetyl-L-alanine | 2306.00 | 2355.33 | 1905.56 | 2081.00 | |
| N-Acetyl-L-phenylalanine | 340.00 | 393.67 | 602.00 | 336.60 | |
| N-Acetylneuraminic acid | 356.44 | 332.67 | 490.00 | 454.83 | |
| N-Acetylserotonin | 1893.20 | 1814.67 | 1724.60 | 1858.17 | |
| NADPH | 1008.40 | 638.40 | 721.00 | 815.50 | |
| Naringenin | 409.80 | 415.33 | 481.60 | 370.33 | |
| Niacinamide | 1762.89 | 1030.17 | 383.80 | 994.18 | |
| N-Methyl-a-aminoisobutyric acid | 631.33 | 361.67 | 426.80 | 439.50 | |
| N-Methyl-D-aspartic acid | 3774.40 | 6563.50 | 18193.80 | 3113.33 | |
| N-Methylnicotinamide | 858.40 | 894.73 | 1159.33 | 1003.00 | |
| N,N-Dimethylformamide | 372.20 | 419.00 | 496.40 | 361.78 | |
| Normetanephrine | 1838.75 | 1670.86 | 1252.00 | 1973.64 | |
| Nutriacholic acid | 431.40 | 451.67 | 412.80 | 454.00 | |
| Oleic acid | 449.14 | 449.75 | 470.50 | 471.50 | |
| O-Phosphoethanolamine | 360.67 | 353.33 | 296.20 | 299.17 | |
| o-Tyrosine | 7841.40 | 6872.17 | 5274.60 | 3783.67 | |
| Pantothenic acid | 384.00 | 384.50 | 480.44 | 366.67 | |
| PC(16:0/16:0) | 6125.60 | 8360.00 | 12438.00 | 13124.00 | |
| PC(18:1(9Z)/18:1(9Z)) | 1788.80 | 2691.67 | 2259.20 | 2230.33 | |
| Perillic acid | 2476.80 | 2620.83 | 2541.40 | 2489.50 | |
| Phenol | 2479.80 | 1870.00 | 2444.44 | 2904.33 | |
| Phenylacetaldehyde | 333.20 | 292.50 | 351.00 | 493.67 | |
| Phenylacetic acid | 482.25 | 430.33 | 454.40 | 410.67 | |
| Phenylacetylglycine | 1732.00 | 1703.17 | 3418.60 | 1449.67 | |
| Phenylpropanolamine | 443.00 | 515.67 | 469.00 | 413.17 | |
| Phosphoric acid | 374.00 | 360.50 | 371.00 | 320.00 | |
| Pipecolic acid | 3875.20 | 3976.33 | 4551.40 | 3854.17 | |
| p-Octopamine | 438.44 | 401.33 | 479.80 | 401.64 | |
| Pregnenolone | 6911.80 | 6842.17 | 6831.00 | 6879.67 | |
| Pregnenolone sulfate | 388.67 | 409.60 | 403.75 | 328.91 | |
| Pterin | 7180.00 | 8638.00 | 3084.80 | 6829.17 | |
| Putrescine | 322.00 | 502.00 | 286.00 | 332.00 | |
| Pyridine | 6278.60 | 5019.50 | 2409.20 | 6782.33 | |
| Pyridoxine | 1085.25 | 1475.67 | 914.22 | 1056.75 | |
| Pyrocatechol | 334.29 | 384.73 | 198.50 | 347.50 | |
| Pyroglutamic acid | 4014.00 | 4279.33 | 5594.89 | 5106.22 | |
| Pyrrolidonecarboxylic acid | 3822.20 | 2955.33 | 3361.40 | 4775.50 | |
| Pyruvaldehyde | 3016.00 | 3077.67 | 2966.00 | 3020.67 | |
| Quinic acid | 456.00 | 482.64 | 333.14 | 386.80 | |
| Riboflavin | 3207.40 | 3437.50 | 2130.80 | 4257.00 | |
| Saccharopine | 508.60 | 465.83 | 540.00 | 458.33 | |
| Salbutamol | 258.33 | 361.20 | 568.00 | 241.45 | |
| Sebacic acid | 5683.20 | 5399.00 | 5304.60 | 5383.83 | |
| Sorbitol | 688.75 | 354.80 | 432.57 | 583.11 | |
| Spermine | 8212.60 | 11799.17 | 374.33 | 6011.83 | |
| Sphinganine | 38747.25 | 73038.50 | 35038.00 | 35922.36 | |
| Sphingosine | 3064.22 | 2378.33 | 2925.20 | 2560.17 | |
| Stearic acid | 1051.20 | 1058.00 | 949.33 | 833.14 | |
| Succinic acid semialdehyde | 401.33 | 290.00 | 427.20 | 389.00 | |
| Succinylacetone | 521.75 | 373.11 | 775.25 | 538.67 | |
| Sulfolithocholic acid | 2128.00 | 2627.50 | 1975.00 | 1761.43 | |
| Taurodeoxycholic acid | 808.86 | 806.75 | 703.11 | 667.78 | |
| Testosterone | 419.80 | 462.00 | 523.80 | 344.00 | |
| Thiamine | 350.44 | 272.67 | 656.20 | 580.00 | |
| Thymine | 440.60 | 528.17 | 281.00 | 493.82 | |
| Thymol | 489.71 | 388.00 | 596.00 | 357.71 | |
| Tiglylglycine | 332.20 | 342.33 | 441.00 | 390.40 | |
| Tolnaftate | 576.67 | 689.17 | 743.60 | 640.00 | |
| Traumatic acid | 448.67 | 882.00 | 426.50 | 712.80 | |
| Triamterene | 624.50 | 426.50 | 758.20 | 459.67 | |
| Triethylamine | 1547.78 | 2225.00 | 3862.80 | 2734.73 | |
| Trimethylamine | 14375.40 | 13203.83 | 10327.80 | 16617.00 | |
| Tryptophanol | 457.80 | 534.83 | 680.00 | 427.67 | |
| Tyramine | 534.20 | 517.17 | 597.00 | 581.00 | |
| Uracil | 4781.80 | 7025.09 | 2589.11 | 1940.83 | |
| Urea | 1364.60 | 1076.50 | 857.80 | 1173.17 | |
| Ureidopropionic acid | 540.40 | 473.56 | - | 388.20 | |
| Uric acid | 906.67 | 1006.67 | 513.00 | 1594.40 | |
| Uridine | 961.00 | 712.83 | 917.60 | 650.17 | |
| Uridine 5^-monophosphate | 1943.00 | 1939.33 | 1048.67 | 392.86 | |
| Urocanic acid | 11888.20 | 707.17 | 6310.60 | 2174.83 | |
| Xanthine | 1442.22 | 1693.09 | 1343.40 | 1950.50 | |
| Xanthurenic acid | 493.67 | 469.00 | 491.71 | 571.00 |
Factors:
| F1 | Treatment:5-fluorouracil |
| F2 | Treatment:Doxorubicin |
| F3 | Treatment:Doxorubicin + 5-fluorouracil |
| F4 | Treatment:Positive Control |
