Data for ST003435
Metabolite structure | All data | F1 | F2 | F3 | F4 | F5 | F6 | F7 | F8 | F9 | F10 | F11 | F12 | F13 | F14 | F15 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
2-Hydroxybutyric 17 | 114.66 | - | - | 169.60 | 112.83 | - | - | - | - | 660.36 | 169.16 | 1011.96 | - | 111.97 | 112.37 | |
2-Hydroxybutyric 57 | 7367.66 | 11041.32 | 10671.91 | 8506.88 | 4718.30 | 5578.30 | 5479.33 | 5438.61 | 2674.89 | 3555.39 | 2061.42 | 1496.32 | 1631.31 | 3368.34 | 2631.87 | |
3-Hydroxybutyric 17 | 236.04 | 278.47 | - | 172.05 | - | 110.65 | 113.72 | - | 778.62 | 908.77 | 829.93 | 619.01 | 824.26 | 1207.63 | 410.46 | |
3-Hydroxybutyric 59 | 44317.46 | 9993.95 | 6476.59 | 32602.04 | 21818.12 | 9576.76 | 22326.97 | 21334.29 | 42066.14 | 24613.90 | 35416.59 | 20173.24 | 24312.06 | 56993.31 | 9113.35 | |
3-Hydroxyisobutyric 73 | 1963.57 | 1377.40 | 594.61 | 672.47 | 934.88 | 1399.18 | 634.73 | 1106.78 | 532040.61 | 435008.92 | 580235.13 | 287000.64 | 336052.34 | 778802.78 | 303121.24 | |
3PGA 97 | 8552.32 | 5930.07 | 8592.00 | 6135.92 | 6657.82 | 6468.00 | 6835.34 | 6750.24 | 550921.75 | 572165.92 | 545435.22 | 475525.78 | 836889.18 | 295595.56 | 567835.62 | |
Acetic PAR | 2017005.54 | 921090.93 | 799474.23 | 620068.84 | 810230.22 | 1090851.91 | 575528.89 | 481731.74 | 434493.19 | 441831.76 | 313262.60 | 521433.52 | 571058.32 | 425455.19 | 504872.04 | |
Acetic PAR ATTN | 304763.22 | 69930.09 | 41328.89 | 93485.74 | 67226.64 | 129236.04 | 100312.89 | 105081.40 | 44415.69 | 54529.79 | 40529.60 | 55099.66 | 55536.18 | 78395.72 | 86657.80 | |
Acetyl-CoA 408 | - | - | - | - | - | - | - | - | 16182.86 | 18725.83 | 15565.83 | 9460.49 | 15636.22 | 18742.86 | 15095.60 | |
Acetyl-CoA 461 | - | - | - | - | - | - | - | - | 12553.13 | 11846.95 | 13924.99 | 6945.79 | 9380.58 | 13950.58 | 12299.33 | |
Acetyl-CoA 79 | 407.08 | 238.52 | 198.05 | 131.71 | 101.44 | 159.61 | 165.84 | 407.60 | 31305.35 | 35092.88 | 29328.18 | 17478.29 | 24822.24 | 28792.23 | 27188.79 | |
alpha-Cyclodextrin 101 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
alpha-Cyclodextrin 161 | - | - | - | 684.10 | 706.39 | - | 722.86 | - | 661.90 | - | - | 408.18 | - | 542.83 | - | |
AMP 193 | - | - | - | - | - | - | - | - | 109091.06 | 168755.74 | 210708.90 | 24359.55 | 80618.62 | 130117.22 | 106146.11 | |
AMP 79 | 2188.74 | 3580.48 | 2380.78 | 1636.98 | 3829.87 | 3556.35 | 1579.30 | 3734.77 | 2152672.23 | 3233729.22 | 4059571.21 | 579975.47 | 1519997.19 | 2650526.56 | 2114624.75 | |
Ascorbic 157 | 60021.74 | 36893.37 | 28029.92 | 19630.82 | 50915.01 | 34261.79 | 28957.92 | 42375.31 | 14384.64 | 9226.99 | 4099.94 | 8268.66 | 9259.77 | 9007.86 | 10580.96 | |
Ascorbic 79 | 15926.45 | 11912.35 | 8047.58 | 5009.92 | 14891.77 | 9910.36 | 9404.61 | 16310.98 | 73355.51 | 105557.92 | 85497.37 | 62370.25 | 93818.88 | 82302.65 | 88063.61 | |
Asparagine 113 | 1144899.47 | 2180.20 | 3231.15 | 2545.69 | 3610.76 | 3798.62 | 3836.86 | 4345.80 | 1141490.66 | 1216610.89 | 1228800.93 | 1174740.25 | 1386192.39 | 1120605.67 | 1280966.02 | |
Aspartic 115 | 1459565.05 | 70.19 | 3461.33 | 614.26 | 577.01 | 871.56 | 617.59 | 1575.94 | 1199928.62 | 1413033.06 | 1313652.32 | 1640737.27 | 1754627.17 | 560061.93 | 1580747.12 | |
Aspartic 88 | 6137064.18 | 5276.02 | 20776.64 | 9245.61 | 7466.08 | 11839.97 | 11052.94 | 9514.94 | 4778836.16 | 5504128.48 | 5225686.02 | 6504071.91 | 6797578.91 | 2160592.23 | 6218883.63 | |
Benzoic 77 | 49260.34 | 32159.17 | 37509.66 | 53042.74 | 39092.50 | 48213.11 | 36897.60 | 24929.99 | 92957.94 | 81882.39 | 100303.69 | 94603.42 | 68277.38 | 89005.67 | 84518.04 | |
Butyric PAR | 1412650.96 | 36784.47 | 28005.29 | 54766.15 | 31256.72 | 60294.37 | 37665.60 | 50742.19 | 25722.34 | 26821.06 | - | 7910.79 | 14236.73 | 22012.28 | 18845.17 | |
Butyryl-CoA 408 | - | - | - | - | - | - | - | - | 127.54 | 106.37 | 134.06 | 185.46 | 194.88 | 64.07 | 582.88 | |
Butyryl-CoA 79 | 232.23 | 132.47 | 123.14 | 57.25 | 158.37 | 108.31 | 88.30 | 99.49 | 845.51 | 760.13 | 1338.20 | 941.26 | 1662.79 | 692.12 | 1823.50 | |
C75 209 | 3152.03 | 4117.40 | 5408.52 | 7589.85 | 8225.07 | 3847.18 | 9179.06 | 4514.46 | 12853.99 | 13592.93 | 19308.11 | 23594.92 | 14757.70 | 15103.08 | 16260.50 | |
CDP | 3906.90 | 1022.12 | 865.11 | 709.74 | 1691.65 | 1472.08 | 1321.64 | 2597.45 | 123895.20 | 159773.36 | 163255.46 | 86933.27 | 153309.62 | 108520.79 | 169456.58 | |
Cellobiose 161 | 156220.88 | 4610.18 | 2257.60 | 3736.71 | 32378.43 | 4653.45 | 2506.29 | 2312.46 | 161408.97 | 256740.52 | 321449.61 | 152221.89 | 72482.54 | 167577.06 | 129640.38 | |
Cholic 343 | 200.85 | 160.29 | 131.69 | 199.85 | 321.60 | 204.33 | 220.88 | 361.32 | 357.04 | 496.58 | 287.32 | 381.65 | 384.61 | 190.93 | 224.71 | |
cis-Aconitic 111 | 1560.99 | 1217.06 | 1495.45 | 1661.73 | 2327.30 | 1736.93 | 1758.59 | 1570.99 | 1162909.86 | 1164660.73 | 1232731.97 | 926734.09 | 1087784.01 | 975586.71 | 1109381.72 | |
cis-Aconitic 85 | 9653.55 | 12994.46 | 10847.71 | 15331.25 | 13509.59 | 14110.82 | 13765.61 | 12497.57 | 422489.84 | 458218.25 | 460976.52 | 351312.15 | 398809.87 | 384012.52 | 441975.01 | |
Citraconic 85 | 31059.82 | 5203.73 | 10053.72 | 7949.61 | 7765.15 | 10053.35 | 7958.30 | 16979.41 | 26161.45 | 24343.45 | 22539.26 | 21589.07 | 24421.27 | 23410.78 | 27642.84 | |
Citric 87 | 22168.56 | 10643.49 | 6671.78 | 7251.27 | 26585.01 | 12123.10 | 9670.37 | 56984.19 | 26618149.71 | 27027537.63 | 29346741.80 | 22503247.77 | 28566784.96 | 23159370.66 | 28835243.14 | |
Citric/Isocitric 111 | 63286.81 | 28892.35 | 21735.08 | 21126.47 | 75936.83 | 43373.10 | 26117.39 | 210206.93 | 93659249.89 | 88343652.51 | 103336897.00 | 75807111.43 | 92249850.51 | 85626868.47 | 86435475.13 | |
Citric/Isocitric 173 | 9138.42 | 11257.60 | 7594.90 | 5743.83 | 4474.07 | 4877.91 | 9980.69 | 17157.59 | 4966465.29 | 5280935.29 | 5787592.15 | 3968579.96 | 5175085.34 | 4586222.48 | 4989765.62 | |
Citrulline 131 | 11073.77 | 5792.73 | 15109.85 | 11223.45 | 6070.23 | 19314.99 | 8578.58 | 12230.96 | 722391.84 | 712843.93 | 674632.89 | 807706.05 | 853446.33 | 566363.20 | 727964.12 | |
Coenzyme A 408 | - | - | - | - | - | - | - | 98.04 | 3865.43 | 3232.50 | 2607.94 | 1645.12 | 5865.44 | 947.78 | 4368.80 | |
Coenzyme A 79 | 354.75 | 196.24 | 263.06 | 165.69 | 415.57 | 294.47 | 163.11 | 361.94 | 8156.21 | 9090.86 | 6887.58 | 5043.09 | 8831.67 | 3625.39 | 7945.00 | |
Cystine 120 | 4215116.33 | 2769.09 | 2319.99 | 2203.82 | 3258.56 | 1962.38 | 2829.68 | 3395.21 | 226547.60 | 208314.54 | 247152.28 | 215281.22 | 177663.17 | 241849.43 | 183477.95 | |
Cystine 74 | 1095397.14 | 206.98 | 151.60 | 273.96 | 471.45 | 275.09 | 229.01 | 490.41 | 61127.94 | 50484.09 | 65353.18 | 52267.07 | 42240.84 | 66913.56 | 51871.55 | |
[D3] Acetic PAR | 9149286.58 | 5052773.93 | 6008235.75 | 6358518.47 | 3227441.57 | 5764617.26 | 4947790.70 | 6001812.62 | 9364031.76 | 6955914.75 | 8857397.09 | 9502200.67 | 7783772.78 | 12103038.73 | 9527580.50 | |
Deoxyuridine 111 | 127.52 | 363.07 | 774.72 | 325.15 | 365.45 | 690.72 | 122.00 | 405.66 | 20074.82 | 21132.43 | 25702.25 | 20295.17 | 20726.30 | 31852.14 | 16598.49 | |
dGDP 79 | 5074.35 | 7554.70 | 5693.20 | 5281.20 | 9771.03 | 7748.38 | 5922.37 | 31050.94 | 2464428.19 | 2631045.31 | 3040620.98 | 1674825.57 | 2612643.90 | 3121258.85 | 2664907.31 | |
DHAP 79 | 733.55 | 2210.83 | 1425.84 | 2695.03 | 1897.83 | 2669.61 | 1703.19 | 4922.37 | 309594.34 | 314348.37 | 386868.11 | 186639.55 | 471206.58 | 146553.69 | 208774.05 | |
DHAP 97 | - | - | - | - | 330.77 | - | - | 166.26 | 256979.01 | 303609.37 | 430458.42 | 176197.89 | 543232.19 | 171657.36 | 244749.85 | |
EDTA 273 | 1591.79 | 11136.13 | 8482.31 | 12084.93 | 10263.04 | 7323.15 | 4706.22 | 4487.22 | 4062.41 | 4257.68 | 2323.57 | 4467.23 | 3145.51 | 4933.44 | 3269.93 | |
Ethanolamine phosphate 63 | - | 142.99 | - | - | 480.48 | 118.84 | - | 1754.68 | 217006.60 | 193958.26 | 208399.68 | 194666.12 | 258192.79 | 186887.96 | 247135.62 | |
Ethanolamine phosphate 79 | 1303.54 | 3575.92 | 952.99 | 1904.49 | 4349.19 | 2690.87 | 2443.21 | 13950.76 | 2949594.13 | 2742912.11 | 2954378.47 | 2613482.47 | 3361856.14 | 2456299.54 | 3108804.56 | |
Ethyl sulfate 80 | - | - | - | - | - | - | - | - | 2648.42 | 699.99 | 706.13 | 1630.04 | 526.56 | 996.69 | 961.35 | |
Ethyl sulfate 97 | 2520.67 | 2114.99 | 4088.35 | 1657.70 | 1036.01 | 2968.92 | 1562.75 | 2201.30 | 19548.75 | 13465.61 | 13599.54 | 11765.02 | 10993.02 | 14969.50 | 12106.22 | |
FAD 517 | - | - | - | - | - | - | - | - | 1149.24 | 1169.17 | 1896.56 | 598.42 | 2337.61 | 1529.90 | 1240.38 | |
FAD 79 | 90.87 | 193.11 | 392.95 | 201.36 | 361.11 | 291.39 | 224.26 | 276.14 | 28078.00 | 32326.90 | 28286.24 | 17137.67 | 29220.75 | 23950.50 | 27753.42 | |
FAICAR 79 | 1840.12 | 1140.38 | 934.18 | 632.49 | 1441.93 | 2025.70 | 854.36 | 2979.50 | 4677.08 | 8494.00 | 11214.70 | 4885.33 | 14557.50 | 11175.17 | 7828.64 | |
Fasnall 178 | 108.89 | 344.70 | 388400.77 | 784790.74 | 442.97 | 2089.56 | 174.55 | 193.57 | 11305.34 | 87949.71 | 165276.29 | 286.05 | 1000.66 | 654.95 | 685.43 | |
fMet 128 | 1244.32 | - | 209.07 | 348.11 | 137.53 | 101.85 | 206.71 | 332.66 | 5519.05 | 4840.42 | 6135.50 | 2777.65 | 5042.43 | 11074.13 | 5698.03 | |
Folic 311 | 1366608.38 | 732.49 | 912.03 | 744.00 | 746.50 | 563.16 | 638.32 | 823.01 | - | 273.21 | 502.89 | 278.10 | 338.78 | 556.30 | - | |
Formic PAR | 7299092.27 | 2336091.25 | 2818533.48 | 2653959.88 | 2128001.25 | 2133702.12 | 3351259.16 | 2205915.53 | 2501348.13 | 1833282.97 | 3450041.40 | 2802417.93 | 2330521.04 | 2400981.72 | 2058093.98 | |
Formyl-CoA 408 | 152.64 | - | 95.76 | - | 93.21 | 96.12 | 162.38 | - | 350.96 | 298.32 | 178.08 | 237.38 | 198.80 | 292.96 | 171.42 | |
Formyl-CoA 79 | 596.64 | 140.82 | 92.56 | 239.16 | 190.15 | 261.76 | 101.17 | 339.61 | 1249.22 | 2146.30 | 1905.10 | 1257.71 | 1529.17 | 1646.50 | 1347.05 | |
Fructose-1,6-bisphosphate 177 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
Fructose-1,6-bisphosphate 97 | 617.81 | 548.00 | 650.91 | 547.50 | 136.12 | 602.39 | 469.42 | 211.15 | 4954.62 | 7190.04 | 7127.17 | 2623.10 | 16867.37 | 1633.65 | 3553.06 | |
Fructose 89 | 49324.74 | 1413.47 | 5818.60 | 4217.72 | 2867.22 | 3689.87 | 2927.26 | 5743.62 | 7416.11 | 6199.25 | 11277.08 | 5553.20 | 7375.91 | 18655.81 | 4756.86 | |
Fumaric 71 | 11438.38 | 8662.63 | 19686.38 | 13791.08 | 13602.62 | 13547.26 | 26892.56 | 20637.58 | 686158.39 | 795624.33 | 1089190.83 | 654130.63 | 736870.85 | 532816.67 | 587038.81 | |
Glucono-1,5-lactone 129 | 29829.61 | 398.65 | 237.28 | 377.68 | 841.41 | 633.75 | 306.53 | 582.73 | 1967.64 | 2209.83 | 2471.47 | 1953.82 | 1574.51 | 3197.89 | 2552.74 | |
Glucose 1-phosphate 151 | 539.32 | - | - | - | 188.77 | 276.65 | - | 141.02 | 4349.42 | 5190.43 | 4951.27 | 4193.03 | 4302.22 | 4622.26 | 4445.83 | |
Glucose 1-phosphate 79 | - | 1095.87 | 322.22 | 1793.55 | 1652.50 | 618.76 | 774.10 | 3727.29 | 497815.07 | 700075.96 | 707859.34 | 353342.13 | 400816.10 | 575087.35 | 315618.59 | |
Glucose 59 | 118534257.60 | 3900.55 | 5345.89 | 5250.67 | 8720.84 | 8029.66 | 1804.74 | 6213.85 | 1362987.83 | 1493538.64 | 1389789.74 | 1678870.98 | 1965510.72 | 1320041.53 | 1762935.55 | |
Glucose 6-phosphate 139 | - | - | - | - | - | - | - | - | 73968.06 | 155195.36 | - | 53489.46 | 124865.13 | - | 113598.16 | |
Glucose 6-phosphate 97 | 1723.59 | 1502.01 | 1160.41 | 685.24 | 1671.12 | 1693.52 | 1489.12 | 2344.81 | 1629962.15 | - | - | 1081300.77 | 2181002.28 | - | 1878626.93 | |
Glucose 71 | 49502994.49 | - | - | - | - | - | - | - | 495450.69 | 557974.02 | 538292.10 | 609127.80 | 717563.64 | 488634.19 | 613819.13 | |
Glucose 89 | 158691828.40 | 5329.78 | 7932.24 | 5107.07 | 9268.73 | 11228.88 | 3758.60 | 8456.34 | 1922594.52 | 2059158.12 | 1912279.95 | 2308543.37 | 2721564.62 | 1848771.05 | 2422275.99 | |
Glutamic 102 | 7517162.97 | 9322.68 | 11862.20 | 23759.51 | 14620.88 | 15822.58 | 16179.75 | 13734.90 | 14659102.28 | 16125798.57 | 16199861.12 | 14443004.49 | 17878359.80 | 11154968.38 | 15831274.06 | |
Glutamic 128 | 1551124.68 | 2024.94 | 3478.78 | 2410.93 | 2328.87 | 2265.55 | 2501.17 | 1537.22 | 3011189.19 | 3445447.57 | 3366241.79 | 3017503.57 | 3648837.17 | 2232642.44 | 3283420.62 | |
Glycerol 1-phosphate 79 | 430.90 | 416.40 | 871.77 | 505.67 | 2593.17 | 1369.52 | 2325.10 | 4309.15 | 120528.74 | 112652.37 | 127723.77 | 93139.60 | 103501.23 | 176741.50 | 103675.54 | |
Glycerol 2-phosphate 79 | 327.26 | 1310.17 | 1275.94 | 579.59 | 1345.91 | 1383.94 | 1595.75 | 5536.75 | - | - | - | - | - | - | - | |
Glycerol 3-phosphate 79 | 2066.67 | 2451.47 | 1827.19 | 2637.16 | 2511.15 | 4390.45 | 3038.10 | 5061.18 | 5835848.15 | 3084288.67 | 3713657.00 | 2066470.68 | 2923751.59 | 6025036.56 | 2060639.80 | |
Glyoxylic 45 | 10851.17 | 3894.72 | 4889.00 | 4043.29 | 5680.83 | 3585.46 | 3240.40 | 3342.02 | 18708.48 | 19350.05 | 21908.04 | 24161.81 | 17547.85 | 21756.80 | 21038.69 | |
GMP 79 | 6300.29 | 2380.25 | 2327.29 | 1779.73 | 3303.83 | 2914.86 | 1799.06 | 2142.08 | 406153.54 | 572063.27 | 667795.54 | 138366.81 | 347337.16 | 421932.80 | 317214.43 | |
GSSG 179 | 58.44 | - | - | - | - | - | - | - | 18097.01 | 23564.30 | 20408.34 | 20344.42 | 14834.79 | 18137.66 | 15142.59 | |
GSSG 306 | 2275.30 | 1252.19 | 1765.05 | 1369.69 | 2054.19 | 1689.11 | 1455.85 | 2936.03 | 204340.37 | 252383.32 | 203716.85 | 226021.00 | 156225.31 | 180903.66 | 153659.74 | |
HEPES 107 | 708988.75 | - | 242.68 | 457.76 | - | 1151.60 | 467.73 | 235.76 | - | 408.99 | 328.94 | 341.31 | 731.71 | 284.40 | - | |
HEPES 80 | 24304402.26 | 309.18 | 444.84 | 323.86 | 1354.97 | 582.27 | 1172.71 | 240.80 | 410.34 | 290.74 | 283.06 | 391.91 | 271.67 | 821.67 | 283.87 | |
Hippuric 134 | 2451.72 | 2221.93 | 2770.17 | 1442.76 | 1973.51 | 3085.55 | 1959.92 | 3024.38 | 40411.98 | 46663.82 | 54831.47 | 44284.79 | 52021.73 | 41892.98 | 48667.49 | |
HMG-CoA 408 | 109.97 | - | 138.51 | - | - | 213.60 | 180.15 | 94.52 | 699.79 | 555.55 | 213.09 | 278.67 | 394.14 | 522.50 | 315.80 | |
HMG-CoA 426 | - | - | - | - | - | - | - | - | - | 88.84 | - | 424.43 | 138.55 | 169.50 | 206.17 | |
Homocysteic 80 | 5258.20 | 1295.61 | 1332.14 | 1185.98 | 1646.09 | 1006.29 | 826.58 | 2069.02 | 18102.89 | 16801.71 | 15843.43 | 18451.64 | 18727.86 | 15086.71 | 14291.76 | |
IMP 79 | 393.80 | 622.13 | 392.47 | 456.28 | 807.39 | 627.72 | 795.09 | 1107.26 | 244895.15 | 371248.50 | 477194.91 | 66268.46 | 175231.38 | 299585.95 | 242537.08 | |
Indole-3-carboxylic 116 | 50027.29 | 3530.52 | 4154.35 | 3144.88 | 2235.66 | 3183.45 | 2163.03 | 3978.09 | 94709.48 | 96343.46 | 99163.65 | 73954.03 | 99524.51 | 94973.05 | 91193.06 | |
Isocitric 117 | - | - | - | - | - | - | - | - | 491918.01 | 368681.15 | 441809.41 | 304996.23 | 453290.86 | 421279.68 | 503955.86 | |
Isocitric 73 | 1055.98 | 889.13 | 1717.78 | 1085.22 | 2395.69 | 1267.03 | 1587.49 | 2361.38 | 1021204.22 | 790391.28 | 957761.73 | 682698.18 | 987146.22 | 912022.11 | 1060362.51 | |
Itaconic 41 | 941.07 | 1473.16 | 1942.31 | 1616.27 | 1445.34 | 1787.16 | 1164.63 | 1679.34 | 1685.95 | 2342.63 | 1374.87 | 1203.00 | 1130.02 | 1014.95 | 1925.74 | |
Itaconic 85 | 12386.32 | 11944.61 | 8739.72 | 9151.77 | 10062.74 | 15591.03 | 11173.23 | 8225.21 | 25804.51 | 26582.85 | 24479.86 | 21843.89 | 16918.83 | 26086.78 | 16581.92 | |
Ketoglutaric 101 | 210665.07 | 111352.73 | 103554.93 | 78901.55 | 68938.87 | 84625.62 | 170128.61 | 158038.14 | 1105228.48 | 1396481.87 | 1086663.52 | 1275988.78 | 1259672.70 | 567140.48 | 1342233.88 | |
Ketoglutaric 57 | 123760.55 | 59597.95 | 19483.15 | 65289.34 | 125858.82 | 58423.64 | 44315.67 | 106898.27 | 242542.75 | 275667.68 | 222468.08 | 217527.74 | 262862.50 | 220843.68 | 282427.21 | |
Lactic 71 | 1994.30 | 7890.26 | 14358.46 | 13526.58 | 17312.26 | 8572.29 | 12978.00 | 7714.42 | 102064.18 | 59895.56 | 95531.89 | 47967.17 | 45094.03 | 435244.45 | 30005.17 | |
Lactic 87 | 204758.60 | 838503.06 | 1683815.43 | 1400610.46 | 1679604.65 | 919780.75 | 1210592.90 | 699101.17 | 10670964.12 | 6565976.19 | 9927891.88 | 4603014.65 | 4683378.00 | 44083199.49 | 3252766.40 | |
Lauroyl-CoA 408 | - | 226.02 | 168.93 | 190.91 | 229.47 | 229.21 | 112.92 | - | 155.17 | 428.73 | 801.45 | 746.19 | 865.87 | 368.59 | 530.59 | |
Lipoic 137 | 351.40 | - | - | - | - | - | - | - | 268.96 | - | - | - | - | - | - | |
Lipoic 171 | 64644.27 | 276.59 | 122.98 | 70.31 | - | 260.60 | 68.51 | 115.37 | 334.38 | 144.63 | 310.20 | 146.07 | 149.34 | 149.02 | 241.73 | |
Maleic 27 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
Maleic 71 | 38883.98 | 12344.20 | 13763.68 | 11628.29 | 10343.65 | 9223.09 | 10395.23 | 5711.46 | 84657.81 | 85345.40 | 74516.92 | 60575.60 | 71740.02 | 75816.75 | 59341.61 | |
Malic 115 | 131201.70 | 125904.50 | 145775.03 | 135209.43 | 122986.39 | 153145.29 | 88346.09 | 175496.93 | 11578595.37 | 12630251.04 | 18567257.54 | 11104931.25 | 12584747.74 | 8470605.40 | 9555318.78 | |
Malic 71 | 22665.81 | 17465.93 | 34259.80 | 11463.02 | 22362.95 | 16197.16 | 14537.78 | 34505.92 | 3664480.97 | 4069347.19 | 5868390.10 | 3390672.74 | 3818950.33 | 2723916.52 | 3001768.26 | |
Malonic 59 | 25720.55 | 21112.53 | 31062.13 | 26681.55 | 18305.55 | 25979.34 | 27135.13 | 7450.29 | 122496.75 | 158086.17 | 59416.41 | 6511.77 | 124753.67 | 9224.48 | 144322.43 | |
Malonyl-CoA 408 | 73.40 | 89.02 | 318.97 | 116.60 | 125.38 | 181.39 | 61.73 | 134.58 | 796.46 | 785.96 | 483.34 | 478.98 | 363.39 | 199.29 | 717.21 | |
Malonyl-CoA 426 | - | - | - | - | - | - | - | - | 390.66 | 43.35 | - | 62.00 | - | - | 150.61 | |
Mannitol 89 | 275708.10 | 12316.28 | 3111.70 | 32159.32 | 1708.68 | 1680.77 | 3162.32 | 1829.34 | 23035.02 | 26019.78 | 32404.00 | 25133.19 | 33701.85 | 36411.04 | 21597.33 | |
Mannose 59 | 61257688.81 | 4564.24 | 1815.58 | 2086.57 | 2051.10 | 4576.83 | 2234.06 | 2118.39 | 1020373.67 | 1148376.82 | 1053411.40 | 1259213.45 | 1325272.05 | 961127.81 | 1229147.97 | |
Mannose 95 | 1937238.70 | - | - | - | - | - | - | - | 27770.72 | 50874.28 | 26304.34 | 16293.61 | 39913.55 | 20952.13 | 7606.43 | |
Methylcrotonyl-CoA 408 | - | - | - | - | - | - | - | - | 1780.36 | 1250.66 | 2146.17 | 1635.14 | 2201.49 | 1792.38 | 1354.79 | |
Methylcrotonyl-CoA 79 | 209.42 | 162.54 | 192.07 | 137.33 | 192.23 | 262.72 | 390.99 | 648.51 | 12739.02 | 11224.83 | 12466.46 | 10299.01 | 16014.23 | 11311.68 | 13213.17 | |
Methylmalonic 55 | 501.91 | 376.13 | 625.31 | 382.25 | 246.35 | 254.55 | 418.03 | 624.05 | 224.78 | - | - | 311.65 | 465.50 | 452.19 | 299.42 | |
Methylmalonic 73 | 6366.83 | 14539.19 | 12377.13 | 16824.74 | 9138.45 | 11407.35 | 12728.94 | 16345.96 | 7512.03 | 3802.02 | - | 4521.17 | 4252.09 | 6449.82 | 7148.80 | |
Mevalonate pyrophosphate 79 | 1409.30 | 1350.02 | 742.42 | 979.53 | 634.85 | 1430.39 | 1468.86 | 1725.76 | 3716.13 | 4860.57 | 3242.68 | 3874.17 | 5805.10 | 4479.48 | 4513.11 | |
myo-Inositol 161 | 1618619.67 | 39948.05 | 45820.00 | 31166.93 | 24821.82 | 30326.25 | 63865.14 | 70955.52 | 68102.49 | 73928.51 | 65533.17 | 73925.55 | 62182.83 | 76170.90 | 48074.52 | |
Myristic PAR | 50167.24 | 25994.54 | 72215.85 | 46040.75 | 37410.79 | 47964.18 | 28614.52 | 77721.97 | 938527.22 | 989538.63 | 1113851.52 | 1009341.96 | 894580.86 | 939090.91 | 925162.00 | |
Myristoyl-CoA 408 | 333.16 | 226.78 | 334.88 | 111.77 | 168.83 | 226.49 | - | - | 417.36 | 376.17 | 374.22 | 280.17 | 267.81 | 455.19 | 304.27 | |
N-Acetylcysteine 120 | - | - | - | - | - | - | - | - | - | 288.26 | - | 712.31 | 119.77 | - | 232.43 | |
N-Acetylcysteine 84 | 634.83 | 793.44 | 503.88 | 563.74 | 219.55 | 637.77 | 445.57 | 386.49 | 1915.77 | 1460.40 | 840.74 | 1170.49 | 1803.31 | 2725.24 | 1437.24 | |
N-Acetylglycine 74 | 2965.78 | 3643.75 | 3765.57 | 2970.45 | 2448.46 | 6911.15 | 3488.42 | 2845.02 | 26568.03 | 24884.25 | 28612.78 | 23064.46 | 24787.91 | 24930.41 | 27152.50 | |
N-Acetyl-L-aspartic 156 | - | - | - | - | - | - | - | - | 4224600.66 | 4354103.20 | 4597264.29 | 4087742.90 | 4667548.45 | 4120503.45 | 4306970.40 | |
N-Acetyl-L-aspartic 88 | 833.81 | 615.54 | 689.84 | 653.88 | 699.25 | 931.03 | 2601.08 | 1237.50 | 37125795.55 | 39581155.27 | 42511407.27 | 36357101.77 | 42862210.18 | 37105955.82 | 37786849.16 | |
N-Acetylleucine 130 | 11226.94 | 3248.49 | 2417.35 | 4507.95 | 2130.31 | 1795.16 | 2426.56 | 2557.10 | 55354.88 | 45997.14 | 44632.07 | 32273.36 | 42703.63 | 74502.29 | 40617.92 | |
NAD+ 273 | - | - | - | - | - | - | - | - | 225577.26 | 213050.00 | 235168.12 | 192590.99 | 220485.37 | 223308.92 | 231090.27 | |
NAD+ 540 | 205.63 | 371.89 | 203.55 | 195.61 | 632.52 | 611.95 | 338.07 | 885.01 | 1264229.07 | 1240618.31 | 1316825.64 | 1088592.22 | 1294804.52 | 1242187.19 | 1240578.52 | |
NADH 335 | - | - | - | - | - | - | - | - | - | - | 183.76 | - | 9688.83 | 528.91 | - | |
NADH 408 | 100.78 | 180.74 | 85.26 | 352.14 | 121.01 | 175.88 | 188.29 | 397.90 | 9655.96 | 6913.74 | 8494.95 | 6138.95 | 19350.22 | 7500.61 | 5573.39 | |
NADP+ 134 | - | - | - | - | - | - | - | - | 4834.97 | 5623.66 | 6132.64 | 4407.71 | 3493.85 | 3228.65 | 4919.98 | |
NADP+ 408 | - | - | - | - | - | - | - | 90.76 | 69623.57 | 77334.76 | 77208.40 | 49991.77 | 49500.24 | 40089.10 | 59717.38 | |
NADP+ 620 | 412.81 | 553.29 | 339.57 | 205.75 | 1030.09 | 657.90 | 341.50 | 1707.73 | 222544.40 | 260331.94 | 260493.59 | 168742.56 | 199406.15 | 125669.21 | 195315.56 | |
NADPH 328 | - | - | - | - | - | - | - | - | 3855.66 | 3165.12 | 1442.07 | 3521.20 | 7054.85 | 2471.57 | 5505.09 | |
NADPH 408 | 184.63 | 64.29 | 263.15 | 110.86 | 122.78 | 169.12 | 184.81 | 236.32 | 23086.56 | 17258.24 | 6047.91 | 23203.10 | 42534.80 | 16821.69 | 33065.40 | |
N-Formylleucine 114 | 3807.99 | 2056.09 | 1500.33 | 2794.43 | 2363.17 | 2022.99 | 3799.55 | 1800.80 | 5316.04 | 5494.16 | 4951.08 | 6375.16 | 4697.50 | 6070.26 | 5116.17 | |
O-Acetylserine 116 | 1666.44 | 3216.94 | 6497.46 | 5367.61 | 2042.71 | 2862.75 | 4935.50 | 3835.56 | 532380.07 | 529648.94 | 552845.37 | 404304.96 | 552928.41 | 627274.98 | 477326.49 | |
Octanoic PAR | 311754.34 | 548764.21 | 478265.64 | 704096.52 | 590172.69 | 633714.36 | 818259.91 | 395447.85 | 1454242.89 | 1293688.85 | 1358214.23 | 1467096.56 | 1352815.36 | 1267818.49 | 1197849.95 | |
Oleoyl-CoA (18:1) 79 | 117.82 | 113.52 | 113.53 | 223.61 | 110.16 | 224.52 | 110.11 | 107.50 | 536.21 | 799.10 | 733.21 | 805.65 | 571.92 | 375.26 | 346.00 | |
O-Phospho-L-serine 79 | - | - | - | - | - | - | - | - | 52742.90 | 30438.77 | 18039.39 | 48800.54 | 44491.92 | 9547.32 | 63505.40 | |
O-Phospho-L-serine 97 | 1042.10 | 816.89 | 860.20 | 883.59 | 1513.03 | 933.62 | 870.58 | 1415.63 | 138373.22 | 115573.45 | 77448.59 | 130281.36 | 155876.28 | 46316.23 | 146427.18 | |
Orotic 111 | 3403.13 | 5637.61 | 7012.15 | 5030.92 | 7458.90 | 3930.12 | 4868.47 | 6742.34 | 118068.48 | 173086.45 | 158735.56 | 118801.12 | 124004.92 | 29411.23 | 90431.08 | |
Orotic 67 | 518.66 | 815.61 | 648.59 | 795.44 | 1033.41 | 717.67 | 892.89 | 1018.98 | 9308.88 | 9242.99 | 9922.25 | 7086.85 | 11520.36 | 7636.48 | 9902.11 | |
Oxalic 61 | 73948.04 | 70147.76 | 77628.56 | 57812.53 | 87213.79 | 74468.34 | 65767.01 | 73664.91 | 319113.75 | 364723.91 | 361693.49 | 234299.11 | 304433.64 | 311722.02 | 305126.32 | |
Oxaloacetic 87 | 3137.07 | 6994.62 | 4269.11 | 5881.34 | 4052.81 | 3983.60 | 3890.53 | 4295.56 | 3435.79 | 3175.03 | 3776.64 | 4034.00 | 6346.64 | 3914.60 | 7906.49 | |
Palmitic PAR | 300894.50 | 183162.90 | 331171.50 | 274208.60 | 169877.69 | 226102.23 | 201541.64 | 301649.13 | 3105701.47 | 3190353.43 | 3436785.68 | 3535180.17 | 3176749.09 | 2938350.19 | 2943693.04 | |
Palmitoleic PAR | 17371.77 | 65684.07 | 94374.80 | 116433.52 | 88351.38 | 96264.39 | 96623.44 | 158875.40 | 396074.25 | 440059.56 | 435384.53 | 421486.71 | 380768.02 | 414173.45 | 375621.83 | |
Palmitoleyl-CoA (16:1) 79 | 169.00 | 114.32 | 167.39 | 117.17 | - | 229.95 | - | 109.80 | 495.90 | 383.08 | 600.77 | 260.82 | 456.35 | 658.60 | 725.27 | |
Palmitoyl-CoA (16:0) 79 | 231.35 | - | 229.52 | 154.69 | 113.03 | 114.79 | - | 114.00 | 760.87 | 769.59 | 571.65 | 766.94 | 342.52 | 421.59 | 270.06 | |
Pemetrexed 297 | 664.65 | 430.51 | 596.99 | 690.66 | 795.34 | 1493.68 | 928.99 | 1251.18 | - | - | - | - | 752.27 | 714.53 | 588.86 | |
Pemetrexed 321 | - | - | - | - | - | - | - | 567.56 | - | - | - | - | - | - | - | |
Penicillin G 289 | 1644.93 | 2425.89 | 1424.00 | 721.16 | 1440.85 | 2451.98 | 2085.60 | 798.80 | 992.57 | 1620.31 | 3174.63 | 2735.10 | 1786.84 | 749.24 | 1471.49 | |
PEP 79 | 914.99 | 656.36 | 518.71 | 372.33 | 505.59 | 609.57 | 619.45 | 927.61 | 458640.72 | 493092.08 | 357400.08 | 426876.00 | 607288.85 | 251973.82 | 519924.67 | |
Phenol Red 195 | 3738475.87 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
Phenol Red 93 | 4147999.31 | - | - | - | - | 340.47 | 303.32 | 522.66 | 1376.54 | 1523.73 | 3166.81 | 2919.32 | 1446.36 | 2927.70 | 2645.80 | |
Phenylalanine 147 | 12105701.84 | 2385.75 | 5339.33 | 2238.88 | 1938.79 | 2333.43 | 4253.18 | 3351.03 | 16246331.39 | 16249945.44 | 18054460.54 | 13880423.07 | 18206103.27 | 16125807.19 | 16346714.40 | |
Phenylalanine 72 | 4774894.97 | - | - | - | - | 262.10 | - | 321.52 | 6344054.63 | 6609320.15 | 7031965.58 | 5447672.83 | 7249500.44 | 6401337.94 | 6444969.57 | |
Phenyllactic 147 | 10679.29 | 4688.38 | 4905.39 | 2781.71 | 4157.57 | 4358.54 | 3558.10 | 3421.19 | 7041.42 | 4169.08 | 5615.10 | 6098.10 | 4756.33 | 4617.48 | 3410.06 | |
Phosphocreatine 79 | 2182.88 | 1223.47 | 782.01 | 781.50 | 1900.18 | 678.98 | 530.05 | 2532.08 | 5510333.57 | 6104394.25 | 2137126.33 | 8913359.70 | 12684586.06 | 2196838.91 | 10446862.08 | |
Propionic PAR | 59698.55 | 18010.31 | 27873.34 | 25930.73 | 33693.53 | 32571.84 | 23928.76 | 30637.85 | - | - | - | - | - | - | - | |
Propionyl-CoA 408 | 133.31 | 58.00 | - | 62.66 | 148.73 | 90.94 | 125.68 | 55.72 | 1323.47 | 1132.55 | 461.44 | 907.23 | 1495.33 | 983.28 | 1529.98 | |
Pyroglutamic 82 | 1829431.30 | 3656.83 | 11997.53 | 9680.77 | 4160.71 | 7082.59 | 7013.53 | 6811.21 | 40811.54 | 39487.83 | 29246.77 | 28619.05 | 33162.35 | 35729.44 | 35883.22 | |
Pyruvic 32 | 1377763.71 | 1695.02 | 1658.74 | 1298.77 | 1779.00 | 2821.56 | 1843.15 | 2128.45 | 20080.09 | 18746.70 | 22303.99 | 10394.23 | 14170.19 | 28273.83 | 11049.01 | |
Riboflavin 243 | 1259.36 | 124.19 | 333.28 | 252.08 | 380.87 | 187.33 | 125.83 | 251.27 | 128.29 | 454.35 | 766.15 | 330.17 | 387.97 | 450.17 | 454.88 | |
S-2-hydroxyisocaproic 113 | - | - | - | - | - | - | - | - | - | 1309.48 | - | - | - | - | - | |
S-2-hydroxyisocaproic 85 | 6475.70 | 4188.86 | 3557.34 | 2814.96 | 3492.34 | 3631.29 | 3187.36 | 4826.49 | 19552.55 | 23372.86 | 22613.69 | 17318.15 | 19587.81 | 20446.49 | 15878.85 | |
Saccharin 42 | 5292.41 | 3802.79 | 5424.02 | 3645.84 | 2785.25 | 2987.30 | 1947.75 | 2291.44 | 2333.15 | 2698.02 | 4120.37 | 4686.21 | 1840.71 | 1952.93 | 2910.76 | |
Sorbitol 71 | 219013.88 | 7185.24 | 2298.59 | 25409.40 | 1566.16 | 1677.59 | 1526.95 | 1776.34 | 21523.00 | 17271.07 | 26252.54 | 22119.74 | 19816.12 | 29873.97 | 20117.39 | |
Stearic PAR | 46133.47 | 18770.48 | 71120.12 | 44607.28 | 34532.24 | 39658.09 | 57317.78 | 51439.86 | 858275.62 | 890320.51 | 983813.41 | 1041682.28 | 759996.38 | 891170.99 | 917349.95 | |
Succinic 73 | 43279.45 | 15593.56 | 10590.42 | 24609.23 | 12914.12 | 20082.58 | 16809.89 | 7154.72 | 403990.40 | 360413.79 | 374366.09 | 357854.56 | 451716.20 | 276222.49 | 392856.77 | |
Succinic 99 | 5802.84 | 3733.44 | 12651.20 | 3736.68 | 6253.98 | 8028.56 | 6036.37 | 6602.67 | 52342.06 | 51623.75 | 49874.40 | 43758.56 | 55924.97 | 38506.64 | 56678.94 | |
Succinyl-CoA 408 | 128.53 | 87.50 | 133.27 | 242.44 | 384.68 | 75.36 | 82.93 | 255.17 | 1270.88 | 1381.82 | 588.13 | 845.18 | 2035.32 | 226.82 | 1695.89 | |
Sucrose 89 | 1795.99 | 7106.76 | 8419.00 | 7451.32 | 19619.31 | 8438.20 | 8422.22 | 5338.03 | 30039.65 | 38199.79 | 37612.45 | 23124.47 | 37376.96 | 39240.08 | 16668.28 | |
Sunset Yellow 2- 171 | 1296.82 | 481.22 | 431.60 | 325.21 | 546.28 | 223.85 | 768.84 | 636.01 | 5504.23 | 6642.76 | 7950.65 | 5342.79 | 6886.62 | 6637.81 | 7294.20 | |
Tartrazine 2- 211 | 5955.99 | 2614.98 | 3344.31 | 3522.57 | 1859.71 | 2824.17 | 2568.25 | 1499.37 | 551.81 | 394.38 | 701.63 | 1090.91 | 389.80 | 643.31 | 384.89 | |
Taurine 80 | 38195.89 | 15965.02 | 9060.69 | 12745.03 | 2628.49 | 5487.65 | 3558.17 | 3050.49 | 8490165.32 | 9670924.18 | 9824459.08 | 7972387.15 | 10109264.27 | 8085515.17 | 8910064.21 | |
Trehalose 59 | 36218.46 | 2182.69 | 2913.36 | 4378.83 | 4446.13 | 2538.32 | 912.46 | 2512.30 | 50482.42 | 75206.85 | 67399.71 | 49005.95 | 20090.11 | 38849.36 | 39206.97 | |
UDP 111 | 859.54 | 457.63 | 494.30 | 158.62 | 529.67 | 389.71 | 358.24 | 977.84 | 52196.78 | 60309.97 | 65343.69 | 35501.64 | 55846.39 | 41629.71 | 73166.52 | |
UDP 79 | 6013.09 | 1891.26 | 2287.27 | 1925.60 | 3688.04 | 4465.48 | 3516.42 | 5601.74 | 418689.65 | 481075.25 | 520907.85 | 290134.63 | 499229.85 | 341962.81 | 586501.11 | |
UDP-glucose 273 | - | - | - | - | - | - | - | - | 74956.67 | 88691.82 | 88565.33 | 80541.36 | 88027.76 | 49718.47 | 85736.10 | |
UDP-glucose 323 | 244.42 | 91.03 | 235.57 | - | 302.86 | 143.51 | 216.47 | 95.63 | 1314488.92 | 1372197.87 | 1436766.52 | 1303275.97 | 1479472.96 | 851336.53 | 1410436.05 | |
UDP-N-acetyl-D-glucosamine 79 | 427.20 | 236.18 | 206.66 | 322.39 | 635.54 | 408.82 | 264.83 | 713.70 | 1493449.38 | 1565203.54 | 1537930.57 | 1529455.23 | 1792227.86 | 1275969.46 | 1670304.00 | |
Uric 124 | 814.13 | 2686.46 | 7136.79 | 3984.61 | 3890.65 | 3290.50 | 4891.79 | 3424.04 | 7030424.27 | 8456024.82 | 7340740.51 | 5004861.15 | 7876930.75 | 5538780.00 | 8385281.51 | |
Uric 96 | - | - | 1129.89 | - | - | 323.76 | - | - | 2589629.37 | 3067732.00 | 2731114.55 | 1897951.05 | 2834886.43 | 2037404.60 | 2958276.05 | |
Uridine 111 | 1193.45 | 1310.34 | 2154.96 | 1478.42 | 1130.80 | 1879.68 | 1950.08 | 1514.45 | 307215.13 | 203715.08 | 242473.39 | 131788.28 | 317178.39 | 836019.05 | 138340.13 | |
UTP 79 | 2953.86 | 2601.24 | 1978.45 | 1935.54 | 3276.89 | 5480.84 | 1762.82 | 8299.20 | 1007046.69 | 1004196.09 | 673820.10 | 847590.88 | 1151746.85 | 361172.36 | 1043544.72 | |
Valeric PAR | 303011.47 | 215037.23 | 242044.67 | 179786.53 | 179266.92 | 241576.37 | 189625.05 | 197132.26 | 177909.62 | 194148.94 | 164957.83 | 182172.18 | 210906.01 | 188019.08 | 173713.51 | |
Xanthine 108 | 1509.43 | 1932.25 | 5550.97 | 4650.91 | 1744.89 | 4054.13 | 4122.10 | 2168.59 | 163032.20 | 210691.73 | 234858.70 | 187669.43 | 220420.79 | 159349.10 | 215070.82 | |
Xanthosine 151 | 615.23 | 522.02 | 755.46 | 583.63 | 677.50 | 802.43 | 476.37 | 387.72 | 32337.31 | 14926.97 | 19176.00 | 16603.84 | 18356.47 | 13066.84 | 42647.88 |
Factors:
F1 | Sample source:NA | Sample Type:QC | Drug Treatment:NA |
F2 | Sample source:Zebrafish medium | Sample Type:Zebrafish medium | Drug Treatment:1 nM rotenone |
F3 | Sample source:Zebrafish medium | Sample Type:Zebrafish medium | Drug Treatment:20 uM Fasnall |
F4 | Sample source:Zebrafish medium | Sample Type:Zebrafish medium | Drug Treatment:40 uM Fasnall |
F5 | Sample source:Zebrafish medium | Sample Type:Zebrafish medium | Drug Treatment:40 uM GSK2194069 |
F6 | Sample source:Zebrafish medium | Sample Type:Zebrafish medium | Drug Treatment:40 uM TVB-2640 |
F7 | Sample source:Zebrafish medium | Sample Type:Zebrafish medium | Drug Treatment:5 nM rotenone |
F8 | Sample source:Zebrafish medium | Sample Type:Zebrafish medium | Drug Treatment:Vehicle |
F9 | Sample source:Zebrafish | Sample Type:Zebrafish embryo metabolite extract | Drug Treatment:1 nM rotenone |
F10 | Sample source:Zebrafish | Sample Type:Zebrafish embryo metabolite extract | Drug Treatment:20 uM Fasnall |
F11 | Sample source:Zebrafish | Sample Type:Zebrafish embryo metabolite extract | Drug Treatment:40 uM Fasnall |
F12 | Sample source:Zebrafish | Sample Type:Zebrafish embryo metabolite extract | Drug Treatment:40 uM GSK2194069 |
F13 | Sample source:Zebrafish | Sample Type:Zebrafish embryo metabolite extract | Drug Treatment:40 uM TVB-2640 |
F14 | Sample source:Zebrafish | Sample Type:Zebrafish embryo metabolite extract | Drug Treatment:5 nM rotenone |
F15 | Sample source:Zebrafish | Sample Type:Zebrafish embryo metabolite extract | Drug Treatment:Vehicle |