Data for ST003867
| Metabolite structure | All data | F1 | F2 | F3 | F4 | F5 | F6 | F7 | F8 |
|---|---|---|---|---|---|---|---|---|---|
| 1,2,4-trimethylbenzene | 15956.67 | 15520.60 | 14568.00 | 16172.00 | 14622.00 | 13796.75 | 17161.00 | 13672.00 | |
| 1-methyladenosine | 46406.00 | 49236.40 | 12980.00 | 58180.00 | 67353.00 | 53311.50 | 65555.00 | 45588.50 | |
| 1-methylguanine | 4919.00 | 5598.80 | 2780.00 | 5258.00 | 9958.00 | 7365.50 | 8232.00 | 7352.50 | |
| 1-methylguanosine | 3724.00 | 3996.40 | 2851.00 | 3426.00 | 10110.00 | 4996.25 | 5343.00 | 5280.50 | |
| 1-methylhistamine | 2950369.67 | 2710004.40 | 137580.00 | 4252944.00 | 1547064.00 | 600528.50 | 900844.00 | 554403.50 | |
| 1-methylhistidine | 42969.33 | 26390.20 | 19505.00 | 29460.00 | 419997.00 | 118258.50 | 50344.00 | 60446.50 | |
| 1-methylnicotinamide | 6496.33 | 8084.00 | 2188.00 | 3468.00 | 9415.00 | 16303.75 | 6637.00 | 7065.00 | |
| 2-aminooctanoic acid | 440900.67 | 396206.20 | 148999.00 | 1173709.00 | 80179.00 | 359561.75 | 299622.00 | 824335.50 | |
| 2^-O-methyladenosine | 1102924.33 | 515574.00 | 238365.00 | 692362.00 | 6463800.00 | 3399787.00 | 4907952.00 | 1196716.50 | |
| 3-methoxytyramine | 900.00 | 738.00 | 91.00 | 388.00 | 40.00 | 9794.50 | 130.00 | 291.50 | |
| 3-methylhistamine | 259188.67 | 257370.00 | 93973.00 | 372120.00 | 1185160.00 | 691098.00 | 309588.00 | 224350.50 | |
| 3-methylhistidine | 40626.33 | 34006.40 | 25130.00 | 57870.00 | 284616.00 | 167483.00 | 71532.00 | 53607.50 | |
| 3-methylxanthine | 20918.33 | 12547.20 | 2584.00 | 27023.00 | 13047.00 | 33565.75 | 94055.00 | 22286.50 | |
| 3-(N-acetyl-L-cystein-S-yl) acetaminophen | 48068.00 | 6436.00 | - | - | 717033.00 | 101908.50 | - | 86475.00 | |
| 4-acetamidobutanoate | 9036.00 | 5024.60 | 3297.00 | 4082.00 | 61167.00 | 21034.75 | 36393.00 | 10455.00 | |
| 4-acetamidophenylglucuronide | 48632825.00 | 9466198.00 | - | - | 570720134.00 | 388664368.50 | - | 127984169.00 | |
| 4-Hydroxy-3-methylacetophenone | 5646.67 | 5251.60 | 4108.00 | 5625.00 | 5201.00 | 4418.50 | 6072.00 | 4095.50 | |
| 4-hydroxyhippurate | 4488.67 | 704.00 | 1919.00 | 130.00 | 31993.00 | 11694.25 | 44515.00 | 12029.00 | |
| 5-acetylamino-6-amino-3-methyluracil | 3045.67 | 2076.20 | 1913.00 | 200.00 | 1539.00 | 13023.50 | 20714.00 | 4502.50 | |
| 5-hydroxymethy4-methyluracil | 3453081.33 | 2539425.00 | 1200393.00 | 3016308.00 | 10539103.00 | 6030635.50 | 6919831.00 | 2557072.00 | |
| 5-hydroxytryptophan | 105.50 | 24.00 | 15.00 | 40.00 | 463.00 | 285.25 | 80.00 | 129.50 | |
| 5-methylcytidine | 3077.67 | 3657.40 | 994.00 | 5415.00 | 4092.00 | 2400.25 | 2990.00 | 2333.50 | |
| 5-methylcytosine | 187.33 | 123.40 | 92.00 | 87.00 | 715.00 | 423.75 | 432.00 | 225.00 | |
| 6,8-dihydroxypurine | 2217.00 | 2358.40 | 774.00 | 1137.00 | 5426.00 | 2164.75 | 2695.00 | 2604.50 | |
| 7-Methylguanine | 28800.67 | 25350.80 | 13044.00 | 24580.00 | 91045.00 | 29068.50 | 33263.00 | 30567.50 | |
| 7-methylxanthine | 11667.33 | 10846.40 | 1645.00 | 23078.00 | 2769.00 | 11018.00 | 24262.00 | 13611.50 | |
| acetaminophen glucuronide | 315874.67 | 41229.33 | 43.00 | - | 3880857.00 | 2608652.50 | 25.00 | 846322.00 | |
| acetylcholine | 2232.33 | 392.20 | 206.00 | 176.00 | 34611.00 | 1909.00 | 4218.00 | 1281.00 | |
| acetyl-galactosamine | 6979.00 | 7917.00 | 2625.00 | 9368.00 | 4405.00 | 5073.75 | 11027.00 | 6221.50 | |
| adenosine | 46420.33 | 11399.20 | 30286.00 | 12633.00 | 37032.00 | 100259.00 | 109532.00 | 62698.00 | |
| ADMA | 19690867.33 | 21994311.00 | 14127245.00 | 24877990.00 | 45343650.00 | 38728226.25 | 28670666.00 | 37058032.00 | |
| adrenochrome | 24708.67 | 61270.00 | 284335.00 | 4694.00 | 38325.00 | 16408.50 | 52575.00 | 41979.50 | |
| alanine | 9319.33 | 7240.80 | 7527.00 | 10866.00 | 11781.00 | 13631.75 | 11436.00 | 17226.50 | |
| allantoin | 4054.33 | 2053.60 | 1329.00 | 821.00 | 19612.00 | 12828.25 | 8881.00 | 4641.50 | |
| alpha-glycerophosphocholine | 139545.67 | 155457.40 | 42929.00 | 204189.00 | 154887.00 | 81084.75 | 157705.00 | 111986.00 | |
| alpha-hydroxymetoprolol | 20147.00 | 60941.00 | - | - | - | 122232.33 | 485822.00 | - | |
| aminoisobutyric acid | 1347720.67 | 1265398.40 | 805919.00 | 2913925.00 | 1919276.00 | 1854551.25 | 579023.00 | 1565159.50 | |
| arginine | 1376614.67 | 1475760.80 | 709901.00 | 1724460.00 | 1250524.00 | 1891676.75 | 1530057.00 | 2408135.50 | |
| asparagine | 7283.67 | 5889.40 | 4364.00 | 11640.00 | 13081.00 | 8117.00 | 5983.00 | 12882.00 | |
| betaine | 816320.67 | 780851.40 | 747294.00 | 627502.00 | 1084728.00 | 1106536.50 | 684451.00 | 1814449.00 | |
| bilirubin | 67405.00 | 72589.00 | 151579.00 | 4923.00 | 94719.00 | 46170.50 | 59621.00 | 58808.00 | |
| biliverdin | 119511.67 | 28828.00 | 266187.00 | - | 30639.00 | 693566.50 | 313265.00 | 783116.00 | |
| butyrobetaine | 25702.00 | 17064.40 | 18277.00 | 13520.00 | 134393.00 | 41282.75 | 25403.00 | 59709.50 | |
| C10 carnitine | 6025.00 | 2163.80 | 4773.00 | 1145.00 | 43622.00 | 11092.00 | 4909.00 | 10591.00 | |
| C12:1 carnitine | 971.00 | 636.00 | 1070.00 | 201.00 | 4927.00 | 2390.75 | 791.00 | 1812.50 | |
| C12 carnitine | 1138.00 | 554.00 | 1537.00 | 234.00 | 2666.00 | 2962.00 | 1470.00 | 3245.50 | |
| C14:1 carnitine | 571.33 | 441.50 | 767.00 | 148.00 | 3790.00 | 1497.75 | 348.00 | 1593.50 | |
| C14:2 carnitine | 92163.00 | 83349.20 | 107835.00 | 21070.00 | 370791.00 | 180606.00 | 76517.00 | 180401.00 | |
| C14 carnitine | 580.33 | 426.00 | 767.00 | 23.00 | 1100.00 | 1091.75 | 524.00 | 1778.50 | |
| C16:0 Ceramide (d18:1) | 151.00 | 3551.67 | - | 23418.00 | 748.00 | 2403.00 | 78.00 | 9630.00 | |
| C16:0 LPC_B | 19851.00 | 17325.00 | 22999.00 | 9971.00 | 74227.00 | 21225.75 | 14159.00 | 28651.50 | |
| C16:0 SM | 15115.67 | 11547.40 | 10997.00 | 841.00 | 24293.00 | 44691.25 | 15171.00 | 72888.00 | |
| C18:0 LPC | 5105.33 | 4935.80 | 6448.00 | 2528.00 | 11887.00 | 5803.75 | 3224.00 | 8839.50 | |
| C18:0 SM | 18589.67 | 12758.80 | 15945.00 | 2152.00 | 34624.00 | 47100.75 | 22084.00 | 67431.00 | |
| C18:1 LPC | 150986.33 | 152695.80 | 181784.00 | 87829.00 | 555346.00 | 153808.50 | 111954.00 | 200331.00 | |
| C18:1 SM | 11143.67 | 7536.80 | 9298.00 | 985.00 | 17174.00 | 26229.25 | 13545.00 | 49904.00 | |
| C18:2 LPC | 76796.00 | 70765.40 | 69199.00 | 57508.00 | 236008.00 | 81628.75 | 79569.00 | 91715.50 | |
| C18:3 LPC | 6701.67 | 6406.60 | 5938.00 | 3946.00 | 26860.00 | 8785.00 | 4730.00 | 11455.00 | |
| C20:0 SM | 6299.33 | 4814.80 | 5884.00 | 244.00 | 9985.00 | 12899.50 | 6198.00 | 21643.00 | |
| C22:0 SM | 275292.33 | 395968.00 | 195098.00 | - | 236174.00 | 620892.00 | 280472.00 | 1229969.50 | |
| C2 carnitine | 1811735.67 | 1331261.40 | 909316.00 | 1131081.00 | 5066574.00 | 2710961.00 | 1533628.00 | 2875655.00 | |
| C30:0 PC | 6080.67 | 4327.60 | 5752.00 | 1552.00 | 7771.00 | 13327.25 | 5927.00 | 25233.00 | |
| C34:3 PC | 8068.00 | 3652.00 | 8200.00 | 3934.00 | 9889.00 | 16875.75 | 6525.00 | 31134.00 | |
| C36:2 PC | 110569.33 | 122413.60 | 75029.00 | 13113.00 | 107718.00 | 170799.75 | 103391.00 | 363460.50 | |
| C36:5 PE plasmalogen | 3265.67 | 2877.50 | 6391.00 | - | 11392.00 | 17891.50 | 4216.00 | 14385.00 | |
| C38:5 PE plasmalogen | 7214.33 | 4263.20 | 6636.00 | - | 14158.00 | 29241.75 | 9341.00 | 38368.50 | |
| C38:6 PE plasmalogen | 3002.33 | 3062.40 | 2957.00 | - | 4585.00 | 12137.00 | 888.00 | 12566.50 | |
| C3 carnitine | 166681.33 | 130116.40 | 68652.00 | 144051.00 | 415248.00 | 230371.50 | 89191.00 | 295947.50 | |
| C3-DC-CH3 carnitine | 4528.00 | 3732.00 | 1030.00 | 4729.00 | 11929.00 | 8565.00 | 9907.00 | 4239.50 | |
| C40:7 PE plasmalogen | 2073.00 | 2571.00 | 1288.00 | 130.00 | 4147.00 | 6099.50 | 1470.00 | 8285.00 | |
| C4 carnitine | 79668.67 | 65552.00 | 24999.00 | 41182.00 | 295041.00 | 149712.50 | 65764.00 | 133992.00 | |
| C4-OH carnitine | 11213.67 | 9374.40 | 6308.00 | 5667.00 | 29652.00 | 23941.00 | 9602.00 | 18793.00 | |
| C5:1 carnitine | 9542.67 | 9543.00 | 2499.00 | 9001.00 | 25210.00 | 13236.50 | 11028.00 | 11953.00 | |
| C5 carnitine | 73285.33 | 57002.80 | 30123.00 | 56475.00 | 156340.00 | 108928.25 | 87370.00 | 176225.00 | |
| C5-DC carnitine | 15146.67 | 10435.80 | 9100.00 | 7538.00 | 86794.00 | 26705.00 | 18641.00 | 21537.00 | |
| C6 carnitine | 4441.00 | 3125.40 | 2122.00 | 1422.00 | 27183.00 | 9694.25 | 3671.00 | 8646.50 | |
| C8 carnitine | 3614.00 | 1259.00 | 2373.00 | 325.00 | 39272.00 | 7313.50 | 2290.00 | 6018.50 | |
| caffeine | 180392.67 | 96270.40 | 30576.00 | 24807.00 | 621.00 | 105165.75 | 1383176.00 | 124829.50 | |
| carnitine | 2761988.00 | 2076612.80 | 1870124.00 | 1875416.00 | 7386108.00 | 3870290.25 | 2511086.00 | 4765898.00 | |
| choline | 412876.00 | 390318.60 | 202239.00 | 403170.00 | 582308.00 | 498669.25 | 686504.00 | 582167.00 | |
| citrulline | 11532.33 | 7830.20 | 8862.00 | 5640.00 | 33818.00 | 29277.00 | 24082.00 | 25699.00 | |
| cortisol | 8732.67 | 11602.80 | 4926.00 | 10122.00 | 15374.00 | 10071.75 | 13528.00 | 4706.50 | |
| cortisone | 2608.67 | 4275.40 | 1513.00 | 4485.00 | 2493.00 | 2076.75 | 2492.00 | 1482.50 | |
| cotinine | 10829.33 | 788.20 | 553707.00 | 418.00 | 667.00 | 10120.75 | 615.00 | 1069.00 | |
| creatine | 921267.67 | 802177.40 | 427520.00 | 1415160.00 | 1007067.00 | 831029.00 | 492547.00 | 948625.50 | |
| creatinine | 2726730.33 | 1901695.20 | 1241587.00 | 1772180.00 | 8148640.00 | 3928398.00 | 4299258.00 | 3491554.00 | |
| cyclohexylamine | 7130.00 | 8382.20 | 5704.00 | 6297.00 | 4126.00 | 5030.75 | 4907.00 | 5303.50 | |
| cytidine | 13080.67 | 17196.80 | 6740.00 | 18438.00 | 15622.00 | 8888.75 | 5993.00 | 9890.50 | |
| cytosine | 1424.67 | 920.20 | 445.00 | 1327.00 | 7189.00 | 4245.25 | 3222.00 | 1734.50 | |
| diacetylspermine | 424.67 | 191.50 | 54.00 | 8.00 | 7074.00 | 471.25 | 540.00 | 280.50 | |
| dimethylglycine | 3125.33 | 2352.80 | 2977.00 | 1332.00 | 12323.00 | 8119.25 | 3917.00 | 9019.50 | |
| DMGV | 4845530.33 | 601626.40 | 2843745.00 | 127268.00 | 43026087.00 | 16162507.25 | 16242788.00 | 6169138.00 | |
| ectoine | 605903.33 | 316920.00 | 384922.00 | 371924.00 | 3307377.00 | 1231748.33 | 1402803.00 | 1388197.00 | |
| GABA | 813.00 | 772.80 | 462.00 | 1852.00 | 1111.00 | 1048.50 | 207.00 | 819.50 | |
| glutamate | 454.33 | 837.00 | 400.00 | 273.00 | 782.00 | 445.50 | 349.00 | 726.00 | |
| glutamine | 602242.33 | 648610.60 | 254885.00 | 779631.00 | 590522.00 | 877218.50 | 660627.00 | 862701.50 | |
| glycine | 462.00 | 257.20 | 715.00 | 263.00 | 1879.00 | 423.00 | 430.00 | 1007.50 | |
| guanidoacetic acid | 199.00 | 157.80 | 313.00 | 107.00 | 436.00 | 249.00 | 119.00 | 751.00 | |
| guanine | 2064.67 | 2110.40 | 1611.00 | 3146.00 | 1761.00 | 3406.50 | 2388.00 | 3935.00 | |
| hippurate | 5639.00 | 2429.20 | 4449.00 | 929.00 | 18240.00 | 21056.00 | 133621.00 | 8643.00 | |
| histamine | 625.67 | 787.80 | 167.00 | 705.00 | 94.00 | 403.50 | 155.00 | 463.00 | |
| histidine | 157814.67 | 163745.40 | 81231.00 | 318619.00 | 257225.00 | 360334.00 | 160483.00 | 433641.50 | |
| homoarginine | 22861.00 | 33770.60 | 11766.00 | 39822.00 | 13694.00 | 28903.75 | 16374.00 | 30605.50 | |
| hydroxycotinine | 382.67 | 80.00 | 20269.00 | - | - | 1327.67 | - | 96.50 | |
| hydroxyproline | 3935.00 | 1811.00 | 4836.00 | 1871.00 | 7587.00 | 7363.25 | 3838.00 | 10203.00 | |
| hypoxanthine | 204278.67 | 239854.80 | 168976.00 | 312825.00 | 177209.00 | 303222.00 | 196595.00 | 295049.50 | |
| imidazoleacetic acid | 174251.33 | 244738.60 | 104968.00 | 121257.00 | 417392.00 | 283141.00 | 316174.00 | 368701.00 | |
| imidazole propionate | 612.33 | 225.60 | 120.00 | 124.00 | 1073.00 | 1612.00 | 929.00 | 817.50 | |
| inosine | 6090.00 | 7593.60 | 2310.00 | 16570.00 | 5123.00 | 9603.00 | 3741.00 | 3989.00 | |
| isoleucine | 37867146.00 | 27212328.80 | 22250390.00 | 73744148.00 | 67014015.00 | 41984766.75 | 29600554.00 | 73064811.00 | |
| kynurenic acid | 1027.00 | 995.80 | 566.00 | 230.00 | 3440.00 | 3145.75 | 807.00 | 902.50 | |
| L-a-glutamyl-L-Lysine | 185565.33 | 279739.20 | 77497.00 | 175977.00 | 357564.00 | 444996.75 | 138242.00 | 387084.50 | |
| leucine | 75854318.33 | 59100583.00 | 45993308.00 | 143445526.00 | 135124949.00 | 78528715.75 | 41951713.00 | 126849921.50 | |
| linoleoyl ethanolamide | 2627.00 | 1164.40 | 1298.00 | 3190.00 | 1688.00 | 920.25 | 2007.00 | 1123.00 | |
| L-threo-Sphingosine | 1399.67 | 1257.00 | 1356.00 | 2033.00 | 1148.00 | 1489.75 | 1493.00 | 1284.00 | |
| lysine | 283055.67 | 331508.00 | 105807.00 | 407995.00 | 344061.00 | 400831.50 | 185630.00 | 439769.00 | |
| methionine | 22352.33 | 18670.60 | 17806.00 | 38650.00 | 26106.00 | 25058.50 | 11928.00 | 48864.00 | |
| methionine sulfoxide | 622737.00 | 663817.20 | 288296.00 | 508603.00 | 1224037.00 | 871169.50 | 697926.00 | 901521.00 | |
| methylguanidine | 409.00 | 122.00 | 61.00 | 76.00 | 5696.00 | 1553.75 | 1622.00 | 411.00 | |
| methylimidazole acetic acid | 25914.33 | 6480.60 | 4398.00 | 4168.00 | 299422.00 | 82091.00 | 94412.00 | 42063.50 | |
| methyl N-methylanthranilate | 789.67 | 979.20 | 848.00 | 534.00 | 1014.00 | 949.75 | 1121.00 | 906.00 | |
| methylthioadenosine | 4649.67 | 2970.80 | 1108.00 | 5757.00 | 13930.00 | 3350.50 | 4641.00 | 1728.00 | |
| metoprolol | 42845.00 | 37200.25 | 41.00 | 161.00 | 18.00 | 121889.67 | 631835.00 | 225.00 | |
| myristoleate | 13418.67 | 15642.20 | 17886.00 | 12515.00 | 13396.00 | 16215.00 | 16093.00 | 13699.00 | |
| N1-acetylspermidine | 6955682.67 | 5501551.60 | 3893206.00 | 7757498.00 | 24536259.00 | 9254950.75 | 6206791.00 | 8192003.50 | |
| N1-Methyl-2-pyridone-5-carboxamide | 140375.00 | 105403.00 | 28737.00 | 116763.00 | 219440.00 | 461824.50 | 163862.00 | 186905.50 | |
| N1,N12-diacetylspermine | 114640.33 | 102623.00 | - | - | 1795610.00 | 119915.75 | 146374.00 | 135911.00 | |
| N2,N2-dimethylguanosine | 4173.67 | 2726.80 | 1711.00 | 2391.00 | 56643.00 | 15038.00 | 8418.00 | 7590.50 | |
| N4-acetylcytidine | 20922.67 | 13296.40 | 4304.00 | 21223.00 | 89739.00 | 37542.50 | 68885.00 | 18710.00 | |
| N6-acetyllysine | 1052.00 | 747.20 | 688.00 | 458.00 | 3828.00 | 1934.50 | 1783.00 | 2090.50 | |
| N-acetyalanine | 5210.67 | 4625.80 | 2543.00 | 4871.00 | 13716.00 | 6640.50 | 8231.00 | 5896.00 | |
| N-acetylaspartic acid | 64557.67 | 64959.00 | 11059.00 | 111215.00 | 40828.00 | 31701.25 | 63423.00 | 34204.00 | |
| N-acetylgalactosamine | 3072901.67 | 3448780.00 | 1212201.00 | 3998134.00 | 3266999.00 | 2531633.75 | 4539619.00 | 2847861.50 | |
| N-acetylhistamine | 107.67 | 100.80 | - | 108.00 | 5.00 | 298.00 | 563.00 | 92.00 | |
| N-acetylhistidine | 4684.67 | 3357.40 | 3813.00 | 2383.00 | 15268.00 | 14320.75 | 10833.00 | 11585.50 | |
| N-acetylmethionine | 1315.33 | 1080.20 | 370.00 | 1404.00 | 4211.00 | 1183.00 | 2425.00 | 889.00 | |
| N-acetylornithine | 1590.67 | 1217.60 | 272.00 | 2958.00 | 6093.00 | 4784.75 | 6502.00 | 1070.50 | |
| N-acetylputrescine | 5250.33 | 5445.60 | 2244.00 | 6059.00 | 10596.00 | 5388.00 | 8079.00 | 4582.00 | |
| N-acetylspermidine | 16055.67 | 12697.60 | 8849.00 | 17750.00 | 57588.00 | 21370.50 | 14078.00 | 18830.50 | |
| N-alpha-acetylarginine | 2930.00 | 2419.00 | 1706.00 | 914.00 | 10928.00 | 6053.25 | 5337.00 | 10207.50 | |
| N-carbamoyl-beta-alanine | 1371.33 | 1178.80 | 589.00 | 1042.00 | 2140.00 | 2135.50 | 1893.00 | 1573.50 | |
| Ne,Ne dimethyllysine | 19844.67 | 13985.60 | 17052.00 | 31414.00 | 38230.00 | 85895.25 | 31499.00 | 51418.50 | |
| N-ethylglycinexylidide | 352.33 | 309.40 | 284.00 | 128.00 | 703.00 | 44.67 | - | 326.00 | |
| NH4_C34:2 DAG | 737.50 | 266.00 | 959.00 | 258.00 | 2435.00 | 1838.50 | 1881.00 | 2095.50 | |
| NH4_C36:3 DAG | 1218.00 | 818.40 | 1457.00 | 58.00 | 4490.00 | 3189.00 | 2425.00 | 5395.50 | |
| NH4_C44:1 TAG | 9360.33 | 9257.40 | 8438.00 | 23592.00 | 9174.00 | 11155.75 | 24417.00 | 15582.00 | |
| NH4_C44:2 TAG | 3238.00 | 3134.40 | 2697.00 | 10464.00 | 3179.00 | 4031.75 | 8616.00 | 5466.50 | |
| NH4_C46:2 TAG | 12026.00 | 11712.60 | 10249.00 | 32940.00 | 12710.00 | 14363.25 | 32325.00 | 20851.50 | |
| NH4_C46:3 TAG | 1804.00 | 1743.40 | 1475.00 | 7090.00 | 1849.00 | 2253.50 | 5633.00 | 3661.00 | |
| niacinamide | 9129.00 | 10672.80 | 5478.00 | 11382.00 | 8663.00 | 14282.00 | 8040.00 | 11596.00 | |
| N-lauroylglycine | 3144.33 | 2124.80 | 3530.00 | 2725.00 | 7747.00 | 2939.00 | 11253.00 | 3532.50 | |
| N-methylproline | 9297235.67 | 5080608.20 | - | 6680829.00 | 38727819.00 | 7915716.75 | 84787911.00 | 18405556.00 | |
| NMMA | 15393.67 | 19600.20 | 7179.00 | 22658.00 | 32411.00 | 27214.00 | 24121.00 | 21167.50 | |
| ornithine | 18343.00 | 19733.40 | 9550.00 | 28605.00 | 22331.00 | 41726.25 | 18259.00 | 54618.00 | |
| Pantothenol | 7637.00 | 3702.80 | 2840.00 | 5536.00 | 2064.00 | 11677.75 | 9375.00 | 2677.00 | |
| phenylacetylglutamine | 1077323.67 | 349262.80 | 526643.00 | 220658.00 | 8936535.00 | 2640874.50 | 3757785.00 | 2430870.00 | |
| phenylalanine | 76851955.67 | 61276266.60 | 60474196.00 | 138830015.00 | 111389941.00 | 86539552.75 | 50991075.00 | 125825173.50 | |
| phenylalanine-d8 | 68037161.00 | 67298270.00 | 69580195.00 | 67834523.00 | 69378179.00 | 68145553.25 | 67422112.00 | 68385426.50 | |
| phosphocholine | 8985.67 | 4786.20 | 6405.00 | 9726.00 | 19246.00 | 17483.25 | 5908.00 | 18243.00 | |
| phytosphingosine | 2754.33 | 3898.60 | 903.00 | 2302.00 | 1543.00 | 3379.00 | 3137.00 | 4187.00 | |
| piperine | 5145.00 | 18865.00 | 1914.00 | 694.00 | 2809.00 | 26940.00 | 584.00 | 15904.00 | |
| proline | 139094.67 | 56245.20 | 167368.00 | 58004.00 | 418194.00 | 221732.50 | 149576.00 | 471399.00 | |
| proline betaine | 1117764.33 | 293034.20 | 20951.00 | 679418.00 | 6295385.00 | 1249379.50 | 5548776.00 | 965510.00 | |
| pseudouridine | 1003845.33 | 608816.20 | 317799.00 | 782691.00 | 3742100.00 | 1683300.75 | 2144669.00 | 1019588.00 | |
| pterin | 370.33 | 301.60 | 43.00 | 124.00 | 1097.00 | 827.00 | 382.00 | 1212.00 | |
| putrescine | 421783.00 | 385201.00 | 268005.00 | 593369.00 | 593725.00 | 345925.75 | 427578.00 | 413314.00 | |
| pyridoxamine | 24614.00 | 35584.20 | 11367.00 | 39197.00 | 35847.00 | 33901.50 | 17144.00 | 36648.50 | |
| pyroglutamic acid | 2444.33 | 2232.20 | 1349.00 | 2848.00 | 2833.00 | 3479.00 | 2397.00 | 2800.50 | |
| SDMA | 39701145.67 | 34204162.20 | 18452264.00 | 34201208.00 | 137655524.00 | 84058000.75 | 77242920.00 | 69592678.00 | |
| serine | 6404.67 | 6956.40 | 3621.00 | 9280.00 | 7344.00 | 8088.50 | 4227.00 | 10227.50 | |
| S-methyl-L-cysteine-S-oxide | 56285.67 | 52745.40 | 50893.00 | 51223.00 | 45392.00 | 33730.25 | 50537.00 | 41108.50 | |
| sphinganine | 568.67 | 831.00 | 1792.00 | 186.00 | 3790.00 | 317.25 | 112.00 | 454.00 | |
| sphingosine_A* | 5381.33 | 26255.00 | 766.00 | 406982.00 | 19785.00 | 22403.75 | 3435.00 | 145198.00 | |
| sphingosine_B* | 4123.00 | 17984.00 | 466.00 | 311563.00 | 15677.00 | 15106.75 | 2183.00 | 102999.50 | |
| sphingosine_D* | 2553.67 | 2359.40 | 2343.00 | 2180.00 | 3144.00 | 2697.75 | 2577.00 | 2281.00 | |
| taurine | 87206.33 | 101503.60 | 32450.00 | 104562.00 | 117331.00 | 96068.00 | 109124.00 | 88610.00 | |
| threonine | 13428.67 | 13287.40 | 12033.00 | 21008.00 | 11529.00 | 15180.75 | 4388.00 | 23076.50 | |
| trigonelline | 31148.33 | 17861.80 | 1515.00 | 8136.00 | 86000.00 | 75637.50 | 206514.00 | 17500.00 | |
| trimethylamine-N-oxide | 60562.67 | 58605.60 | 28043.00 | 31686.00 | 232321.00 | 213477.25 | 125383.00 | 81512.50 | |
| trimethyllysine | 68335.00 | 77524.00 | 55616.00 | 57796.00 | 237043.00 | 153148.50 | 146537.00 | 117978.00 | |
| tryptophan | 16396965.00 | 13384786.00 | 12670287.00 | 23562746.00 | 15249651.00 | 16779654.50 | 6173359.00 | 22431188.50 | |
| tyrosine | 21384107.33 | 19868578.60 | 16002871.00 | 35999110.00 | 19301415.00 | 25489396.75 | 12784109.00 | 27145204.00 | |
| urocanic acid | 44310.00 | 16753.20 | 14530.00 | 32334.00 | 21643.00 | 50885.75 | 166750.00 | 18133.50 | |
| valine | 69329699.00 | 55589394.80 | 42977244.00 | 123852507.00 | 108567879.00 | 75104080.75 | 35902189.00 | 101357181.00 | |
| valine-d8 | 37340121.67 | 37757436.40 | 36535617.00 | 37448830.00 | 36636704.00 | 37281643.75 | 37678445.00 | 37150687.50 | |
| warfarin | 11752.33 | 104965.50 | - | - | - | 204643.00 | - | 398386.00 | |
| xanthine | 11390.67 | 16191.40 | 5743.00 | 10882.00 | 7144.00 | 13036.50 | 7395.00 | 12671.00 | |
| xanthosine | 705789.00 | 537510.80 | 352226.00 | 749044.00 | 901074.00 | 506716.00 | 364326.00 | 1136709.50 |
Factors:
| F1 | Sample source:pooled vitreous QC | Dianosis:NA | Disease Status:NA |
| F2 | Sample source:Vitreous humor | Dianosis:Epiretinal membrane (ERM) | Disease Status:Control |
| F3 | Sample source:Vitreous humor | Dianosis:Proliferative diabetic retinopathy (PDR) | Disease Status:Active with macular edema and pre-retinal hemorrhage |
| F4 | Sample source:Vitreous humor | Dianosis:Proliferative diabetic retinopathy (PDR) | Disease Status:Active with neovascular glaucoma |
| F5 | Sample source:Vitreous humor | Dianosis:Proliferative diabetic retinopathy (PDR) | Disease Status:Active with tractional retinal detachments |
| F6 | Sample source:Vitreous humor | Dianosis:Proliferative diabetic retinopathy (PDR) | Disease Status:Active with vitreous hemorrhage |
| F7 | Sample source:Vitreous humor | Dianosis:Proliferative diabetic retinopathy (PDR) | Disease Status:Active with vitreous hemorrhage and cataract |
| F8 | Sample source:Vitreous humor | Dianosis:Proliferative diabetic retinopathy (PDR) | Disease Status:Active with vitreous hemorrhage and tractional retinal detachments |
