Data for ST004282
| Metabolite structure | All data | F1 | F2 | F3 | F4 |
|---|---|---|---|---|---|
| 11a-Hydroxyprogesterone | 19656.50 | 19608.50 | 20643.75 | 21289.75 | |
| 17-Epiestriol | 429.75 | 502.40 | 1081.25 | 392.00 | |
| 17-Hydroxyprogesterone | 14344.00 | 10997.75 | 10847.75 | 10610.00 | |
| 2,3-Butanediol | 4114.00 | 4456.25 | 4273.25 | 4004.25 | |
| 2,3-Diaminopropionic acid | 593.00 | 686.00 | 761.50 | 591.75 | |
| 2,4-Diaminobutyric acid | 159811.75 | 146813.75 | 141898.25 | 143007.50 | |
| 2^-Deoxyguanosine 5^-monophosphate | 1891.25 | 1496.50 | 1412.75 | 780.75 | |
| 2-Ethyl-2-hydroxybutyric acid | 92167.25 | 89547.50 | 87075.25 | 84773.50 | |
| 2-Hydroxy-3-methylbutyric acid | 314.80 | 314.50 | 675.50 | 295.00 | |
| 2-Hydroxyadenine | 2831.25 | 1822.50 | 4645.75 | 2648.50 | |
| 2-Methyl-3-ketovaleric acid | 1480.75 | 1509.14 | 1711.25 | 1150.50 | |
| 2-Phenylbutyric acid | 41266.25 | 40751.75 | 41613.50 | 41272.00 | |
| 2-Pyrrolidinone | 713.00 | 764.25 | 769.00 | 405.75 | |
| 3a,6b,7b-Trihydroxy-5b-cholanoic acid | 566.25 | 507.71 | 492.00 | 532.57 | |
| 3-Hexenedioic acid | 980.00 | 982.75 | 964.75 | 1010.50 | |
| 4-Aminophenol | 1272.00 | 1639.50 | 931.00 | 1654.50 | |
| 4-Ethylphenol | 395.50 | 390.00 | 391.14 | 390.80 | |
| 4-Guanidinobutanoic acid | 459.67 | 384.00 | 367.75 | 422.50 | |
| 4-Hydroxyproline | 11241.50 | 11468.75 | 12445.00 | 4360.25 | |
| 5-Aminolevulinic acid | 922.00 | 1095.14 | 1673.75 | 1365.00 | |
| 5-Hydroxylysine | 1461.25 | 1493.25 | 1453.25 | 1374.00 | |
| 5-Methoxysalicylic acid | 21182.00 | 16784.00 | 19783.50 | 17734.25 | |
| 5-Methoxytryptophol | 706.75 | 603.75 | 2176.25 | 841.75 | |
| 5^-Methylthioadenosine | 19570.50 | 17286.00 | 15857.75 | 13679.25 | |
| 5-Phenylvaleric acid | 593.43 | 746.00 | 584.67 | 576.29 | |
| Acetaminophen | 4017.50 | 5402.00 | 2458.25 | 4710.50 | |
| Acetic acid | 623.00 | 478.25 | 483.00 | 471.00 | |
| Acetoin | 406957.50 | 399929.50 | 426354.75 | 400315.75 | |
| Acetone | 1309.75 | 1465.71 | 1417.25 | 1503.50 | |
| Acrylamide | 4999.50 | 4939.00 | 5988.50 | 5272.25 | |
| Adenine | 6733.75 | 5424.00 | 6125.00 | 5576.50 | |
| Adenosine | 191597.75 | 160090.00 | 80058.75 | 164379.75 | |
| Adenosine monophosphate | 2543.75 | 2412.00 | 950.75 | 779.75 | |
| ADP | 4842.75 | 4291.71 | 1214.86 | 2013.71 | |
| Aldosterone | 3996.50 | 3706.50 | 3548.25 | 3501.50 | |
| Androsterone | 52445.50 | 52701.75 | 52931.75 | 51947.50 | |
| Anserine | 181901.00 | 173097.75 | 134936.75 | 179360.75 | |
| Aspartame | - | 605.00 | 3731.25 | - | |
| Aspartyl-lysine | 323.50 | 384.25 | 326.00 | 405.75 | |
| Asymmetric dimethylarginine | 483.50 | 468.86 | 388.29 | 392.50 | |
| Azythromycin | 767.00 | 761.00 | 854.00 | 862.00 | |
| Benzaldehyde | 2007.50 | 2053.50 | 2144.75 | 1755.50 | |
| Benzene | 643.50 | 590.00 | 645.75 | 532.25 | |
| Benzenebutanoic acid | 14550.25 | 13890.75 | 14096.25 | 13913.25 | |
| Benzocaine | 232.50 | 228.86 | 3085.50 | 220.33 | |
| Benzoic acid | 462.33 | 485.71 | 369.33 | 464.00 | |
| Berberine | 457.00 | 796.25 | 498.86 | 1016.29 | |
| Biotin | 872.75 | 818.00 | 811.14 | 1000.40 | |
| Butanone | 18688.25 | 16998.75 | 19875.50 | 17734.75 | |
| Caffeine | 1091.75 | 1171.50 | 1272.75 | 1081.50 | |
| Cinnamaldehyde | 6853.14 | 5112.50 | 4738.50 | 4886.50 | |
| Citramalic acid | 436.00 | 394.75 | 489.25 | 446.75 | |
| Citrulline | 497.67 | 756.57 | 682.57 | 591.75 | |
| Cortexolone | 818.50 | 514.75 | 496.00 | 459.25 | |
| Cortisol | 135265.25 | 128363.00 | 132169.25 | 128766.25 | |
| Cotinine | - | 3996.00 | 32630.00 | - | |
| Cytosine | 733.25 | 545.00 | 550.50 | 3012.50 | |
| Deoxyguanosine | 1373.50 | 1112.25 | 508.80 | 430.00 | |
| Deoxyuridine | 7868.57 | 8978.80 | 7523.43 | 7646.57 | |
| Dextromethorphan | 911.14 | 906.67 | 640.80 | 556.57 | |
| DGTP | 2276.25 | 1684.67 | 1815.00 | 1771.75 | |
| Diacetyl | 31843.00 | 30977.50 | 31004.75 | 29215.75 | |
| Diaminopimelic acid | 5162.50 | 5278.50 | 5094.00 | 5184.00 | |
| Dihydrothymine | 962.00 | 1191.25 | 1168.50 | 1340.00 | |
| Diphenhydramine | 456.25 | 539.25 | 482.75 | 502.75 | |
| D-Lysine | 544.57 | 466.00 | 432.25 | 466.00 | |
| D-Threitol | 872.67 | 938.00 | 550.86 | 299.33 | |
| Elaidic acid | 706.40 | 704.57 | 632.25 | 712.67 | |
| Epicatechin | 497.71 | 398.33 | 521.33 | 397.00 | |
| Estrone | 1833.75 | 1795.00 | 1857.75 | 1766.00 | |
| Ethanolamine | 1167.25 | 773.25 | 835.25 | 750.25 | |
| Gamma-Caprolactone | 4367.43 | 4720.29 | 5035.00 | 4506.57 | |
| Gluconolactone | 454.50 | 397.20 | 390.67 | 443.33 | |
| Glycerol | 416.00 | 407.00 | 549.00 | 479.75 | |
| Glycerophosphocholine | 572.75 | 545.14 | 485.25 | 426.29 | |
| Glycine | 1094.75 | 729.67 | 676.00 | 1109.00 | |
| Glycocholic acid | 819.75 | 566.75 | 552.75 | 631.25 | |
| Glycyl-L-leucine | 276.00 | 11451.50 | 392228.50 | 646.40 | |
| Glycylproline | 1234.50 | 1226.00 | 1201.50 | 1139.75 | |
| Guanidinosuccinic acid | - | - | 1075.43 | - | |
| Guanosine | 664.00 | 575.14 | 342.67 | 399.00 | |
| Hippuric acid | 1236.00 | 887.00 | 1363.43 | 1043.14 | |
| Hydrocinnamic acid | 1007.00 | 1057.75 | 777.25 | 963.25 | |
| Hydroxyisocaproic acid | 8268.25 | 8497.75 | 9472.50 | 8383.75 | |
| Hydroxykynurenine | 529.20 | 492.00 | 474.00 | 519.14 | |
| Hydroxyoctanoic acid | 1793.00 | 2185.50 | 2147.50 | 1864.75 | |
| Hydroxypropionic acid | 499.00 | 379.20 | 419.71 | 493.50 | |
| Hyodeoxycholic acid | 11117.00 | 6871.75 | 6108.50 | 6778.50 | |
| Ibuprofen | 2192.50 | 2086.25 | 2009.75 | 1901.75 | |
| Indole | 3986.75 | 3206.25 | 4192.00 | 4219.71 | |
| Indole-3-carbinol | 742.29 | 631.71 | 592.00 | 606.86 | |
| Indoleacetic acid | 4792.29 | 3432.29 | 3312.25 | 1376.00 | |
| Indoleacrylic acid | 24510.25 | 20520.75 | 30363.25 | 25744.50 | |
| Isocaproic acid | 7485.25 | 6845.00 | 7798.50 | 7253.25 | |
| Isopropyl alcohol | 486.25 | 487.43 | 521.14 | 501.25 | |
| Iso-Valeraldehyde | 394.50 | 386.00 | 436.75 | 458.00 | |
| Isovalerylcarnitine | 1995.50 | 1221.50 | 1485.25 | 938.50 | |
| Isovanillic acid | 4016.50 | 3955.50 | 4211.00 | 4708.00 | |
| L-Acetylcarnitine | 3077.25 | 2108.00 | 2519.00 | 1729.00 | |
| L-Alanine | 482.80 | 473.33 | 512.33 | 516.33 | |
| L-Alpha-aminobutyric acid | 474.00 | 403.00 | 644.33 | 420.75 | |
| L-Arginine | 621.43 | 511.43 | 869.00 | 675.00 | |
| L-Aspartic acid | 1098.00 | 1105.75 | 1205.50 | 526.33 | |
| L-Carnitine | 570.75 | 373.50 | 448.50 | 331.00 | |
| L-Cystine | 575.33 | 610.33 | 972.00 | 677.00 | |
| L-Dopa | 1449.00 | 1300.50 | 1324.00 | 1206.75 | |
| Leucinic acid | 163747.50 | 157527.71 | 161144.25 | 133064.86 | |
| L-Fucose | 6692.75 | 7223.75 | 6775.75 | 7649.43 | |
| L-Glutamic acid | 23594.75 | 25485.00 | 14297.14 | 28388.75 | |
| L-Glutamine | 4388.50 | 4350.25 | 4445.25 | 4161.00 | |
| L-Leucine | 267.33 | 970.25 | 14020.25 | 200.50 | |
| L-Malic acid | 710.75 | 622.75 | 555.75 | 653.25 | |
| L-Norleucine | 950.00 | 4330.00 | 35435.75 | 440.00 | |
| L-Phenylalanine | 272.67 | 2830.50 | 50994.25 | 237.14 | |
| L-Proline | 542.25 | 538.00 | 356.75 | 550.00 | |
| L-Threonine | 1105.00 | 1010.00 | 2341.75 | 833.00 | |
| L-Tryptophan | 917.67 | 952.00 | 8044.75 | 1239.20 | |
| L-Valine | 711.75 | 538.86 | 1394.25 | 751.25 | |
| Maltitol | 1809.25 | 1715.25 | 2194.00 | 3735.75 | |
| Mannitol | 3000.00 | 2792.25 | 3740.75 | 8485.00 | |
| Medroxyprogesterone | 442.00 | 364.00 | 306.25 | 352.50 | |
| Melatonin | 1718.00 | 1554.50 | 1630.57 | 1869.75 | |
| Methylglutaric acid | 2482.00 | 2226.00 | 1868.50 | 1994.75 | |
| Methylguanidine | 472.50 | 460.25 | 421.00 | 495.00 | |
| Methylhippuric acid | 409.50 | 384.25 | 613.00 | 507.75 | |
| Methylmalonic acid | 1889.75 | 1272.75 | 1572.00 | 1497.50 | |
| Metoprolol | 3196.75 | 2845.25 | 2604.00 | 2394.00 | |
| Mevalonic acid | 4764.75 | 4711.25 | 6205.75 | 5316.00 | |
| N6-Acetyl-L-lysine | - | 260.00 | 5094.00 | 164.00 | |
| N-Acetyl-L-aspartic acid | 460.00 | 507.14 | 456.67 | 539.14 | |
| N-Acetyl-L-tyrosine | 3531.25 | 3175.75 | 3765.00 | 3422.25 | |
| N-Acetylneuraminic acid | 1208.50 | 1177.71 | 1106.29 | 1382.75 | |
| Naproxen | 1444.75 | 1825.00 | 1726.00 | 2285.00 | |
| Naringenin | 2145.00 | 1419.75 | 1639.75 | 1309.25 | |
| Niacinamide | 9176.75 | 7099.00 | 2996.00 | 3603.25 | |
| Nicotinic acid | 353.25 | 345.20 | 571.14 | 725.50 | |
| N-Methyl-a-aminoisobutyric acid | - | 497.00 | 4580.25 | - | |
| N-Methylhydantoin | 739.67 | 617.00 | 567.43 | 633.75 | |
| N,N-Dimethylformamide | 208.67 | 1708.75 | 49582.25 | - | |
| Normetanephrine | 1147.00 | 952.00 | 894.75 | 845.75 | |
| Nutriacholic acid | 200235.75 | 177850.50 | 175062.75 | 170367.00 | |
| Oleanolic acid | 951.50 | 1040.25 | 1303.00 | 1072.25 | |
| O-Phosphoethanolamine | 970.86 | 673.67 | 801.50 | 950.00 | |
| Ornithine | 831.00 | 905.50 | 534.50 | 871.50 | |
| Oxalacetic acid | 288.80 | 361.25 | 422.00 | 476.50 | |
| Pantothenic acid | 10201.25 | 7558.50 | 9981.25 | 7803.75 | |
| PC(16:0/16:0) | 733.25 | 927.71 | 713.75 | 839.50 | |
| Perillic acid | 3177.14 | 3395.50 | 3330.75 | 3328.57 | |
| Phenol | 1100.50 | 1263.71 | 1021.25 | 984.50 | |
| Phenylacetaldehyde | 26281.00 | 25730.25 | 25785.50 | 25447.25 | |
| Phenylglyoxylic acid | 489.14 | 463.00 | 476.57 | 529.00 | |
| Phosphocreatine | 23039.50 | 22599.71 | 18224.75 | 21411.75 | |
| Phosphonoacetate | 746.75 | 781.00 | 685.00 | 718.25 | |
| Phosphorylcholine | 685.00 | 742.75 | 658.25 | 850.50 | |
| Pipecolic acid | 748.25 | 816.33 | 516.57 | 777.75 | |
| Pregnenolone | 9990.50 | 10147.25 | 10436.50 | 9793.50 | |
| Pregnenolone sulfate | 33283.25 | 30729.00 | 29315.25 | 30494.00 | |
| Propionic acid | 4995.25 | 5228.50 | 4126.00 | 6028.25 | |
| Pyridine | 1103.00 | 942.00 | 1467.71 | 929.50 | |
| Pyridoxine | 901.50 | 745.75 | 722.00 | 1028.50 | |
| Pyrocatechol | 1428.50 | 1171.00 | 1229.75 | 1378.50 | |
| Pyrrole-2-carboxylic acid | 925.75 | 1087.00 | 519.50 | 1250.57 | |
| Pyrrolidonecarboxylic acid | 1916.50 | 1693.00 | 1439.00 | 876.50 | |
| Pyruvaldehyde | 13096.75 | 11925.50 | 12556.75 | 12386.25 | |
| Quinaldic acid | 301.50 | 324.40 | 641.14 | 505.50 | |
| Ranitidine | 484.33 | 662.25 | 512.33 | 497.67 | |
| Ribothymidine | 458.25 | 450.86 | 447.67 | 519.33 | |
| Saccharopine | 3173.43 | 2857.50 | 3076.50 | 2930.75 | |
| Salbutamol | 1222.00 | 1246.50 | 1240.50 | 1259.00 | |
| Salicylic acid | 654.57 | 501.00 | 556.75 | 517.43 | |
| Scopolamine | 921.50 | 753.00 | 722.00 | 681.00 | |
| Sebacic acid | 21955.75 | 21732.50 | 23102.00 | 20965.71 | |
| Sorbitol | 569.14 | 442.00 | 483.50 | 467.50 | |
| Spermine | 12012.50 | 8688.75 | 12253.25 | 7210.25 | |
| Sphinganine | 39085.00 | 40382.25 | 15197.25 | 22094.50 | |
| Sphingosine | 570.25 | 596.50 | 872.50 | 515.43 | |
| Stearic acid | 916.25 | 861.75 | 651.50 | 704.57 | |
| Succinic acid semialdehyde | 566.50 | 605.25 | 590.00 | 673.75 | |
| Succinylacetone | 5279.25 | 4044.00 | 3640.75 | 3953.25 | |
| Taurocholic acid | 1328.00 | 1385.75 | 1182.50 | 1341.25 | |
| Terephthalic acid | 4688.00 | 3726.25 | 4517.50 | 2753.25 | |
| Testosterone | 732.75 | 611.75 | 587.14 | 658.50 | |
| TG(10:0/10:0/10:0)[iso] | 729.50 | 666.25 | 629.50 | 599.75 | |
| Thymidine | 571.14 | 541.50 | 596.75 | 523.50 | |
| Tiglylglycine | 1148.25 | 1196.25 | 1375.00 | 1139.25 | |
| Trans-Cinnamic acid | 1583.50 | 1374.25 | 945.50 | 1520.50 | |
| Traumatic acid | 823.75 | 901.50 | 766.75 | 920.00 | |
| Tryptophanol | 13789.50 | 9991.75 | 10711.75 | 9201.00 | |
| Uracil | 1945.00 | 1606.25 | 1072.33 | 2698.40 | |
| Urea | 1750.75 | 1662.75 | 1445.75 | 1596.50 | |
| Uric acid | 911.25 | 980.00 | 900.25 | 954.25 | |
| Uridine | 6160.00 | 5619.25 | 5165.50 | 5990.50 | |
| Urocanic acid | 354.33 | 618.75 | 589.67 | 516.67 | |
| Xanthosine | 547.75 | 426.50 | 376.00 | 567.25 |
Factors:
| F1 | Treatment:Control | Sample source:breast cancer cell line (MDA-MB 231) |
| F2 | Treatment:peptide solution | Sample source:breast cancer cell line (MDA-MB 231) |
| F3 | Treatment:ZnOPs | Sample source:breast cancer cell line (MDA-MB 231) |
| F4 | Treatment:ZnO | Sample source:breast cancer cell line (MDA-MB 231) |
