Data for ST003433
| Metabolite structure | All data | F1 | F2 | F3 | F4 | F5 | F6 | F7 | F8 | F9 | F10 | F11 | F12 | F13 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Acetylcholine 87 | 981963.67 | 704629.38 | 2245257.34 | 682838.36 | 584642.69 | 718149.65 | 566729.76 | 1488389.21 | 1012538.58 | 3326198.42 | 141199.63 | 7654.37 | 16505.74 | |
| Acetyl-CoA 303 | 2836034.24 | 3247972.73 | 3648096.24 | 2978792.58 | 2593868.46 | 2064898.91 | 2291414.87 | 3835037.70 | 3276749.24 | 5506720.77 | 3474356.06 | 102.30 | 470.10 | |
| Acetyl-CoA 428 | 391798.35 | 467154.50 | 499830.52 | 396482.09 | 350402.94 | 289325.71 | 334099.64 | 528540.35 | 458330.79 | 735186.14 | 485161.65 | - | 1009.51 | |
| Adenine 119 | 137217.35 | 189218.21 | 210629.74 | 574373.24 | 784937.86 | 507732.54 | 199159.87 | 312291.81 | 283940.98 | 503743.48 | 141229.52 | 10400.74 | 40866.54 | |
| Adenosylcobalamin 147 | 9659.29 | 7405.21 | 4519.07 | 7124.59 | 6896.56 | 2704.11 | 8482.46 | 11386.14 | 7252.26 | 2896.61 | 10424.11 | 363.05 | 486.47 | |
| Adenosylcobalamin 341 | 367.83 | 304.56 | 151.61 | 481.70 | 522.52 | 79.17 | 372.28 | 668.41 | 640.88 | 220.51 | 574.23 | - | - | |
| ADP 136 | 28200303.62 | 31613659.86 | 26496233.41 | 19726311.20 | 20990995.80 | 12623428.64 | 28528928.97 | 25922047.35 | 24542704.89 | 22990912.39 | 28721656.05 | 9157.07 | 63080.10 | |
| ADP 97 | 1152620.20 | 1253341.38 | 1029352.19 | 794801.48 | 767775.06 | 458542.94 | 1102921.95 | 1026230.49 | 956725.97 | 861992.16 | 1171323.89 | - | - | |
| Alanine 30 | 585400.72 | 516631.32 | 520663.51 | 591552.35 | 565687.94 | 603802.83 | 448085.74 | 561541.25 | 534994.67 | 586269.57 | 506071.11 | 1590.43 | 4943.82 | |
| Alanine PAR POS | 111491232.57 | 101179632.03 | 95631409.92 | 117712923.23 | 111722619.17 | 101274870.48 | 81803788.06 | 109766151.20 | 108136809.43 | 111719625.37 | 88707878.63 | 637148.72 | 4941442.43 | |
| AMP 136 | 11312499.97 | 12354909.08 | 14734538.56 | 26274987.26 | 37048920.60 | 25481766.70 | 14972639.57 | 11845684.82 | 10393539.94 | 19117335.80 | 9969772.69 | 4751.22 | 19710.63 | |
| Asparagine 87 | 9226064.50 | 8033837.72 | 13934967.36 | 17262996.32 | 14959078.29 | 12597136.71 | 15904684.08 | 11553776.41 | 10570693.28 | 17946991.21 | 12324024.09 | 6402794.62 | 942494.35 | |
| ATP 136 | 103299634.03 | 93446116.81 | 62567552.00 | 21497364.52 | 17179351.75 | 8360471.01 | 82190648.22 | 75232741.05 | 68839515.46 | 42791345.59 | 99430309.50 | 4920.68 | 107976.40 | |
| ATP 232 | 3141902.13 | 2680602.92 | 1878821.96 | 595804.19 | 471037.07 | 229855.28 | 2449163.07 | 2174460.71 | 2020791.61 | 1246791.19 | 3012885.76 | - | 815.93 | |
| Beta-Alanine 30 | 127179.29 | 124705.10 | 123922.19 | 73083.54 | 71173.15 | 66950.85 | 108478.74 | 131530.76 | 121815.62 | 100601.32 | 54287.62 | 1414.63 | 4943.82 | |
| Biotin 209 POS | 147881.17 | 138765.15 | 143473.99 | 110126.25 | 102474.30 | 76511.47 | 101239.38 | 166228.84 | 155059.41 | 151484.74 | 138761.52 | 8056.14 | 2144.26 | |
| Biotin 227 | 1728202.67 | 1855957.98 | 1764904.25 | 1417154.21 | 1341311.97 | 978426.58 | 1392983.22 | 1987051.05 | 2002173.34 | 1858218.72 | 1855418.62 | 162148.95 | 6970.10 | |
| Carnitine 102 | 11373823.97 | 18125680.55 | 6824872.04 | 7464962.59 | 9203026.63 | 8254573.94 | 6201371.12 | 12778895.95 | 21364551.20 | 6148725.54 | 9524302.56 | 21713.56 | - | |
| Carnitine 85 | 38706389.08 | 59935262.05 | 23082750.71 | 24874635.82 | 31435561.21 | 27915439.42 | 21305856.30 | 42062920.79 | 68540502.89 | 20559947.54 | 32510411.43 | 126400.49 | 2543.55 | |
| Cerulenin 207 | 62776.04 | 50080.19 | 47972.81 | 51502.09 | 56253.64 | 53520.15 | 76666.77 | 57258.57 | 54772.24 | 60422.43 | 58694.12 | 20804.88 | 513301.29 | |
| Cerulenin 89 | 357902.04 | 347722.23 | 326174.95 | 419990.14 | 488240.14 | 451905.40 | 683603.30 | 418358.88 | 435847.69 | 469355.73 | 449851.47 | 76699.21 | 77614.43 | |
| Choline 60 | 20354742.98 | 26843092.10 | 42270487.91 | 142444030.93 | 128229907.20 | 130086127.57 | 24087799.87 | 54562660.53 | 58611706.80 | 80565883.95 | 18333766.88 | 17761755.03 | 52281918.97 | |
| Citraconic 113 | 191341.53 | 178553.06 | 142352.79 | 185618.24 | 188850.97 | 171865.65 | 176625.49 | 218019.27 | 187282.28 | 166612.67 | 170757.02 | 82694.66 | 12615.61 | |
| Citrulline 113 | 15936.09 | 18040.94 | 25286.51 | 43646.23 | 38073.54 | 31282.36 | 15368.92 | 27215.81 | 26744.14 | 35459.36 | 13295.83 | 5081.69 | 1143.93 | |
| Citrulline 70 | 482533.68 | 528650.93 | 772404.19 | 1303120.98 | 1137139.08 | 910898.20 | 545919.11 | 839149.31 | 863078.57 | 1166424.52 | 388775.81 | 178900.73 | 36302.23 | |
| Cyanocobalamin 147 | 15228.31 | 15882.43 | 20059.02 | 27963.35 | 38576.02 | 41151.42 | 12724.15 | 9721.15 | 18455.49 | 23214.60 | 20266.13 | 14474.12 | 1675102.28 | |
| Cyanocobalamin 457 | 1308.68 | 965.45 | 1494.91 | 2145.19 | 2422.18 | 2923.41 | 1116.04 | 1037.67 | 661.41 | 988.82 | 981.80 | 669.06 | 189363.61 | |
| Cysteine 76 | 20222.36 | 28840.68 | 20817.70 | 23005.55 | 34988.26 | 30507.44 | 21736.31 | 15845.57 | 30189.69 | 17192.27 | 11753.27 | 59025.66 | 10746.52 | |
| Cysteine PAR POS | 176150.22 | 114329.26 | 817921.61 | 334642.51 | 140147.57 | 234077.65 | 405071.35 | 1309877.21 | 1067647.68 | 293513.33 | 74735.44 | 316631.72 | 52904.91 | |
| Cytidine 112 | 2138030.84 | 2873685.96 | 1918089.72 | 6037445.88 | 10388783.66 | 8662466.08 | 1512841.23 | 2444269.51 | 2037808.42 | 2331482.95 | 1752437.24 | 43408.29 | - | |
| Dimethylmalonate 101 | 3630.17 | 4135.28 | 291766.12 | 3298.00 | 5717.76 | 1280856.90 | 187925.80 | 3435.29 | 3874.02 | 674122.26 | 3667.74 | 1957.89 | 7986.05 | |
| Doxycycline 321 | 400.40 | - | - | 1593.49 | 1024.58 | - | 988.27 | 1200.55 | 596.12 | 588.13 | 420.97 | 796.06 | - | |
| Ethanolamine 29 | 5300.55 | 7979.34 | 4605.42 | 11771.94 | 12933.98 | 22938.82 | 6240.42 | 4587.72 | 4221.06 | 5160.62 | 4868.22 | 515.97 | 482.48 | |
| Ethanolamine 44 | 115318.52 | 187487.05 | 101156.16 | 249835.01 | 287598.90 | 545017.77 | 125290.01 | 105936.30 | 96670.77 | 111955.06 | 111119.32 | 18354.63 | 7835.53 | |
| Fasnall 218 | 20196699.92 | 25119463.61 | 23596542.43 | 614935975.40 | 511246839.20 | 558281978.60 | 32989.41 | 151977552.02 | 166494405.17 | 172805733.07 | 24543.52 | 1182.62 | 32097.51 | |
| Folic 295 | 330250.40 | 275159.00 | 285094.63 | 261005.39 | 343492.96 | 350078.90 | 256374.38 | 222885.54 | 272725.56 | 283829.07 | 195838.99 | 746420.85 | 2107106.27 | |
| Formyl-CoA 428 | 17351.29 | 10762.14 | 15037.21 | 10276.77 | 10352.71 | 5600.96 | 9108.08 | 12750.08 | 12204.68 | 16437.98 | 12577.77 | 193.70 | 141.64 | |
| GABA 87 | 9709659.49 | 9326329.66 | 7769978.40 | 3577719.10 | 3324326.44 | 3655847.48 | 4920605.78 | 7858003.12 | 6832555.27 | 7561641.80 | 4442045.45 | 5888.48 | 2012.08 | |
| Glutamine 130 | 47739.34 | 56699.41 | 88500.45 | 138374.93 | 125490.49 | 107814.34 | 59227.69 | 102120.74 | 109002.02 | 137302.18 | 50060.71 | 108616.07 | 113894.58 | |
| Glutamine 84 | 33113345.72 | 40084352.44 | 57791645.88 | 84248637.90 | 78066676.61 | 66028099.94 | 44935319.17 | 61409508.45 | 62444158.65 | 82695965.56 | 32685305.03 | 66709947.39 | 72878163.35 | |
| Glycine PAR POS | 22764769.86 | 18858355.10 | 26873710.27 | 24921643.80 | 23376416.06 | 15570899.69 | 24616326.16 | 24771515.37 | 23144859.31 | 27628051.94 | 18876539.81 | 2155455.83 | 3573739.58 | |
| GSH 290 | 6817667.68 | 6199772.50 | 4315840.27 | 1569957.41 | 1169083.77 | 740985.55 | 5710128.80 | 3912407.97 | 3852267.67 | 2705954.63 | 8449867.64 | - | 220282.00 | |
| GSH 76 | 111155483.70 | 100108225.05 | 73186022.56 | 28823203.88 | 22784409.37 | 14570069.21 | 96898547.91 | 69314696.61 | 67649980.82 | 48977981.43 | 124863442.10 | 3700.11 | 31011.95 | |
| GSK2194069 344 | 949.15 | 12399530.78 | 326.14 | 331.15 | 9633170.86 | 487.84 | 521.17 | 359.12 | 12634345.44 | 399.02 | 229.64 | 514.77 | 999.07 | |
| Guanine 135 | 239408.99 | 113331.75 | 382292.56 | 2464914.17 | 2512987.43 | 3332768.55 | 264268.10 | 588122.36 | 267647.43 | 935013.56 | 235886.49 | 774.66 | 6002.84 | |
| Guanosine 152 | 371007.71 | 440898.08 | 252445.85 | 173482.38 | 183359.68 | 157262.37 | 292467.80 | 416433.23 | 358488.60 | 162210.47 | 315491.50 | 1414.80 | 4607.97 | |
| Histidine 110 POS | 2180958.34 | 4994638.05 | 7960925.97 | 15488080.54 | 19581563.24 | 11188791.03 | 4295386.16 | 8715213.28 | 13443680.57 | 17926523.05 | 1314651.47 | 2658373.64 | 10675910.39 | |
| Histidine 83 | 121675.88 | 273467.44 | 460850.62 | 976157.37 | 1097454.13 | 607913.07 | 251763.02 | 494034.75 | 773892.11 | 1039429.41 | 73874.45 | 149554.36 | 592633.58 | |
| Hypoxanthine 110 | 202820.56 | 296866.05 | 596163.22 | 3759552.89 | 4640333.37 | 6147169.92 | 153576.99 | 403093.45 | 299837.17 | 1926697.49 | 17643.14 | 98346.70 | 2541501.03 | |
| Hypoxanthine 67 | 13629.94 | 46436.33 | 89162.48 | 603413.20 | 725366.29 | 957582.73 | 31189.28 | 60691.25 | 52172.37 | 304411.88 | 2377.50 | 19105.78 | 327585.66 | |
| Inosine 137 | 235458.58 | 272430.09 | 169983.64 | 169187.86 | 167469.43 | 205485.01 | 243815.83 | 213679.87 | 193912.15 | 124029.71 | 342759.67 | 2295.97 | 47675.90 | |
| Isoleucine 69 | 33714231.88 | 33408438.02 | 60449355.96 | 127478958.87 | 115809021.70 | 95786820.51 | 40577635.94 | 66756013.25 | 69029512.98 | 113521487.38 | 42626683.67 | 48247152.58 | 51525051.03 | |
| Kynurenic 144 POS | 88587.68 | 89949.67 | 112288.62 | 166971.04 | 149559.76 | 139181.72 | 63779.40 | 183402.25 | 166157.17 | 202741.19 | 52943.36 | 123869.96 | 214731.51 | |
| Kynurenic 162 | 9390.76 | 11609.47 | 9972.89 | 7157.75 | 7447.12 | 7575.48 | 10690.98 | 9976.91 | 9868.67 | 10269.32 | 7975.78 | 12565.26 | 8439.91 | |
| Leucine 86 | 24144438.17 | 23009001.92 | 42988757.58 | 80595251.30 | 73871099.45 | 60790314.58 | 29304075.65 | 47394153.17 | 49222232.53 | 75786277.10 | 26982570.59 | 31602300.25 | 28160619.77 | |
| LW6 135 | 11110.47 | 3202.68 | 5032.33 | 2210.21 | 10673.03 | 9093.08 | 11194.78 | 13500.97 | 17184.85 | 11035.60 | 9193.49 | 29674.22 | 25518.17 | |
| LW6 180 | 425.46 | - | 420.57 | 548.15 | 781.37 | 1099.74 | 419.84 | 707.64 | 422.56 | 522.50 | - | 672.69 | 1124.41 | |
| Lysine 84 | 9319085.86 | 8587514.07 | 15714546.57 | 43660779.35 | 38085413.27 | 36521449.30 | 9174795.32 | 16539458.47 | 17895603.12 | 34832159.10 | 5279915.07 | 15651127.85 | 39675841.95 | |
| Malonyl-CoA 303 | 96464.50 | 1680912.20 | 110412.64 | 3610.85 | 4859.07 | 10510.28 | 100376.61 | 35776.30 | 97045.13 | 81875.06 | 132324.45 | 96.99 | 277.11 | |
| Malonyl-CoA 428 | 84525.50 | 1406856.99 | 95134.67 | 2745.81 | 3764.54 | 9246.06 | 82163.09 | 28992.34 | 83257.42 | 64711.89 | 96930.29 | - | 60.07 | |
| Methionine 104 | 50902629.67 | 52760917.27 | 83185342.32 | 128853208.10 | 116261768.20 | 97799097.49 | 65289427.07 | 85675891.84 | 86934876.55 | 122220772.20 | 54786169.19 | 45186053.35 | 51486403.22 | |
| Methionine 61 | 22616138.51 | 23611105.75 | 39133430.61 | 65332334.90 | 59020700.78 | 47598000.12 | 29538110.84 | 40129569.44 | 39773427.73 | 62461754.73 | 25084061.34 | 21619310.20 | 23070421.81 | |
| Methotrexate 134 | - | - | - | - | 357.17 | - | - | - | - | - | - | - | - | |
| Methotrexate 308 | 807.71 | 552.90 | 826.29 | 378.52 | 510.87 | 449.29 | 925.84 | 493.71 | 854.83 | 862.83 | 1289.14 | 776.53 | 710.90 | |
| Methylcobalamin 147 | 1869.24 | 2052.55 | 1524.39 | 1138.13 | 1171.82 | 1150.65 | 2256.07 | 1710.11 | 1254.53 | 1901.14 | 1356.55 | 112.51 | 1247.14 | |
| Methylcobalamin 636 | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| Myristoyl-CoA 428 | 128900.47 | 18841.22 | 67460.00 | 37422.82 | 42690.08 | 25780.41 | 98459.07 | 72992.51 | 29058.15 | 57144.51 | 91431.81 | 185.47 | 321.60 | |
| N-Acetyl-L-methionine 133 | 48855.66 | 42188.13 | 32328.03 | 22668.42 | 14593.43 | 11950.30 | 8522.08 | 21265.81 | 16152.60 | 13214.41 | 24103.10 | 5973.05 | 6571.77 | |
| N-Acetyl-L-methionine 144 | 434939.16 | 456973.19 | 220466.97 | 106036.33 | 87692.37 | 52541.81 | 186443.62 | 378610.18 | 316318.97 | 149943.99 | 204736.16 | 2256.41 | 4628.41 | |
| NAD+ 428 | 41645538.29 | 39044749.56 | 39747148.03 | 21547320.64 | 18447882.24 | 12668580.82 | 39946606.31 | 33839332.48 | 29067480.78 | 31895414.63 | 44600513.82 | 312.60 | 12421.43 | |
| NAD+ 524 | 31567176.30 | 28650939.03 | 29172062.48 | 16570972.13 | 13921267.41 | 9457297.70 | 28645576.84 | 26073361.15 | 22484776.83 | 24219849.39 | 32907300.80 | 539.38 | 2963.84 | |
| NADH 348 | 940720.08 | 791063.01 | 358407.60 | 438100.32 | 368202.64 | 134344.45 | 405437.01 | 672942.47 | 803115.29 | 403465.98 | 284054.88 | - | - | |
| NADH 649 | 2355757.13 | 2051249.16 | 833320.45 | 1088209.50 | 902649.79 | 322401.93 | 990001.48 | 1623189.47 | 2135381.50 | 1014276.39 | 654216.22 | 516.34 | 526.94 | |
| Niaciamide 106 | 155415.65 | 173696.59 | 143734.55 | 124801.93 | 162601.65 | 158952.11 | 144900.22 | 143726.53 | 161026.37 | 147480.01 | 105010.30 | 275276.61 | 691124.04 | |
| Niaciamide 80 | 9248842.65 | 12145701.14 | 9464755.87 | 7897424.16 | 10051695.57 | 9985180.71 | 9053737.79 | 9903817.82 | 10885030.28 | 9986639.65 | 6367843.28 | 19344813.01 | 39386027.97 | |
| N,N-Dimethylglycine 58 | 369226.03 | 359676.45 | 413790.32 | 422512.24 | 412931.53 | 582317.11 | 433908.87 | 278447.54 | 274118.03 | 473727.33 | 422137.19 | 78911.15 | 10424.27 | |
| O-Acetyl-L-carnitine 145 | 9342608.72 | 9415772.72 | 13136617.81 | 11814340.88 | 9954689.91 | 9771765.93 | 7960246.13 | 11617090.92 | 8847282.15 | 14007366.19 | 5475587.84 | 1309.56 | 249.65 | |
| O-Acetyl-L-carnitine 85 | 294846364.83 | 299498113.47 | 352217946.93 | 356588538.63 | 317468185.77 | 313732372.07 | 268958016.33 | 338867211.53 | 288926368.07 | 376492858.63 | 216886813.33 | 61465.31 | 2174.41 | |
| O-Acyl(17:1)-L-carnitine 85 | 163903.18 | 40607.59 | 98578.75 | 552863.31 | 517995.58 | 395040.23 | 201351.08 | 167671.86 | 125412.39 | 135434.22 | 177353.13 | 7076.12 | 1366.93 | |
| O-Butyryl-L-carnitine 85 | 186941520.27 | 8475981.27 | 134616390.99 | 33099696.14 | 16023529.04 | 20034394.56 | 221933922.83 | 122410479.49 | 35778771.42 | 63937051.62 | 198202748.37 | 127489.27 | 2599.63 | |
| O-Caproyl-L-carnitine 85 | 3307651.29 | 581614.91 | 2008692.56 | 1208219.89 | 886563.81 | 949669.35 | 3833833.18 | 4662369.39 | 2477170.28 | 1557886.08 | 3479635.53 | 10312.10 | 1760.25 | |
| O-Capryl-L-carnitine 85 | 524104.58 | 83572.08 | 331905.79 | 427196.86 | 293419.09 | 219156.93 | 739275.25 | 640129.70 | 292609.05 | 300387.61 | 671654.59 | 8701.50 | 5578.81 | |
| O-Caprylyl-L-carnitine 85 | 723400.91 | 264841.70 | 475307.02 | 338246.95 | 362745.21 | 245977.15 | 777114.87 | 1339180.20 | 688580.04 | 478820.67 | 750423.88 | 18774.98 | 106593.90 | |
| Octanoyl-CoA 428 | 6113.22 | 2007.32 | 3059.02 | 2110.29 | 2994.31 | 1882.63 | 3636.87 | 7816.50 | 4068.27 | 5548.30 | 3284.93 | 231.59 | 231.69 | |
| O-Enanthyl-L-carnitine 85 | 1170276.31 | 1994211.83 | 1434131.14 | 710124.08 | 756009.59 | 832383.18 | 1277413.32 | 1133831.70 | 1465032.29 | 888132.10 | 904578.46 | 295636.39 | 8509.24 | |
| O-Erucioyl-L-carnitine 85 | 143631.04 | 81238.80 | 139778.48 | 411054.26 | 460133.04 | 311379.46 | 182046.17 | 163484.06 | 144107.14 | 233794.06 | 216554.87 | 11835.98 | 837.89 | |
| O-Formyl-L-carnitine 145 | 24606.82 | 25368.99 | 47392.82 | 83523.61 | 72022.15 | 55336.79 | 34075.37 | 51624.71 | 50715.54 | 81244.14 | 25630.85 | 17239.80 | 27467.09 | |
| O-Lauroleoyl-L-carnitine 85 | 309008.02 | 58153.00 | 170739.62 | 254309.05 | 174579.83 | 158262.19 | 481664.42 | 265626.92 | 121911.37 | 124798.09 | 435650.44 | 7942.30 | 2667.86 | |
| O-Lauroyl-L-carnitine 85 | 889283.87 | 55435.57 | 549437.94 | 1178693.74 | 687854.78 | 527998.36 | 1145013.18 | 1127703.60 | 339684.86 | 443228.03 | 1074971.31 | 14903.75 | 527.66 | |
| O-Margaroyl-L-carnitine 85 | 500466.06 | 68025.49 | 291198.70 | 1717501.82 | 1540019.98 | 1646669.83 | 593766.75 | 567634.22 | 378305.74 | 445917.43 | 570433.06 | 6872.20 | 1691.13 | |
| O-Myristoleoyl-L-carnitine 85 | 1480431.85 | 151917.76 | 725843.84 | 1424761.86 | 896344.23 | 892266.60 | 1657891.25 | 1378348.64 | 613797.46 | 555606.08 | 2142694.50 | 21387.81 | 3162.91 | |
| O-Myristoyl-L-carnitine 85 | 6976908.70 | 185585.73 | 3763813.33 | 5591332.52 | 4060793.54 | 4687151.38 | 6725689.79 | 6251767.51 | 1679445.38 | 3034503.35 | 6212128.37 | 30929.22 | 3711.44 | |
| O-Oleoyl-L-carnitine 85 | 4906193.75 | 554570.09 | 2502769.54 | 19550787.59 | 23441126.20 | 12748436.81 | 4422600.45 | 5405374.46 | 4735065.91 | 4122864.22 | 5187744.27 | 52185.16 | 1526.67 | |
| O-Palmitoleoyl-L-carnitine 85 | 3983610.67 | 261494.86 | 1868205.80 | 8951549.02 | 7625986.37 | 6911096.49 | 3981868.49 | 3438826.84 | 2095326.34 | 2353426.36 | 3950489.58 | 25857.17 | 993.69 | |
| O-Palmitoyl-L-carnitine 85 | 16720969.85 | 652224.01 | 7471327.79 | 28986670.55 | 29807469.99 | 25247405.99 | 14828845.03 | 13022604.74 | 7077517.65 | 9912237.68 | 14221592.04 | 59165.38 | 1322.52 | |
| O-Paullinoyl-L-carnitine 85 | 221149.97 | 88833.10 | 146973.49 | 905519.15 | 901274.20 | 538023.54 | 233907.45 | 242672.43 | 184383.03 | 250331.10 | 317274.19 | 10949.47 | 758.91 | |
| O-Pelargonyl-L-carnitine 85 | 66707.64 | 84818.55 | 45431.35 | 132740.42 | 112375.81 | 47959.23 | 64498.66 | 144346.44 | 123740.66 | 65199.51 | 83613.68 | 7385.08 | 10343.21 | |
| O-Pentadecyloyl-L-carnitine 85 | 424720.67 | 55139.62 | 279427.47 | 780803.39 | 658312.22 | 749178.96 | 599682.93 | 434063.21 | 234761.28 | 331943.79 | 425116.50 | 14215.38 | 1196.48 | |
| O-Propionyl-L-carnitine 85 | 42021872.92 | 48675986.37 | 22693198.98 | 4519851.84 | 4970733.67 | 2275004.68 | 37646236.76 | 14198697.41 | 19005441.34 | 8669664.74 | 51490148.31 | 94258.38 | 1360.96 | |
| Ornithine 70 | 14996804.79 | 16551410.09 | 19547309.56 | 36151074.45 | 32456755.98 | 34874014.71 | 17264218.70 | 22187802.17 | 19502852.18 | 28903859.72 | 12138421.61 | 9196778.18 | 62358.54 | |
| O-Stearoyl-L-carnitine 85 | 2062140.75 | 259037.59 | 1135488.90 | 6045818.08 | 7259692.61 | 4824340.23 | 1991632.54 | 1749587.76 | 1709065.37 | 1715973.73 | 1972046.53 | 27344.26 | 3869.02 | |
| O-Tridecyloyl-L-carnitine 85 | 168029.78 | 82841.86 | 110759.80 | 106256.07 | 74625.00 | 75590.58 | 215086.68 | 149869.37 | 96433.51 | 69454.62 | 202815.65 | 57050.44 | 1776.33 | |
| O-Undecyloyl-L-carnitine 85 | 73048.10 | 47337.60 | 43255.27 | 52250.45 | 38297.68 | 28363.83 | 78126.49 | 78485.45 | 54767.19 | 40989.73 | 86241.57 | 5373.16 | 1418.65 | |
| O-Valeryl-L-carnitine 85 | 69399918.87 | 44574399.54 | 41504990.92 | 6823057.15 | 6263944.58 | 8126357.21 | 73804659.10 | 6189902.56 | 6960633.06 | 6321900.14 | 104993079.60 | 1017452.78 | 34050.94 | |
| pABA 120 | 6125.18 | 15778.49 | 16484.33 | 88673.83 | 127978.19 | 177694.63 | 13213.24 | 20832.18 | 15851.74 | 48184.51 | 4667.74 | 274718.42 | 64420.56 | |
| Pantothenic 202 | 14380937.80 | 14303333.05 | 13631678.43 | 9031126.15 | 8077697.96 | 5926117.76 | 13411651.68 | 13352932.54 | 12910608.12 | 9855628.63 | 16262959.63 | 1172731.54 | 6971049.14 | |
| Penicillin G 289 POS | 16456425.66 | 17573389.02 | 15911046.79 | 13979071.77 | 19336140.23 | 21870611.69 | 16326527.83 | 13531130.35 | 14666523.54 | 13907614.46 | 13389902.88 | 82933138.47 | 2358.12 | |
| Picolinic 78 POS | 112491.97 | 146374.09 | 113299.97 | 95970.83 | 121181.42 | 131421.41 | 104589.06 | 117947.33 | 126601.78 | 121557.17 | 82249.17 | 278946.57 | 556738.73 | |
| Picolinic 96 | 109044.39 | 198387.77 | 98659.04 | 129733.51 | 156393.23 | 185215.39 | 165107.25 | 136613.08 | 204568.17 | 107304.49 | 136233.63 | 353500.31 | 669817.27 | |
| Proline 70 | 18516806.62 | 18024931.94 | 17033439.98 | 25013043.44 | 23666493.47 | 20189248.54 | 12873946.14 | 21606764.48 | 21529410.52 | 23950166.92 | 10384791.40 | 7870287.77 | 7343980.31 | |
| Puro Heavy 121 | 2394.34 | 4289.18 | 1579.29 | 2162.16 | 1757.74 | 2780.62 | 1513.51 | 2827.77 | 2702.90 | 1890.14 | 2354.53 | 1519.79 | 1411.28 | |
| Pyridoxine 134 | 6188606.39 | 6003787.61 | 5347007.39 | 5372709.65 | 5875935.31 | 5599989.00 | 4961571.35 | 5130145.93 | 5738329.82 | 5193195.75 | 4766704.35 | 16232745.47 | 31724714.04 | |
| Pyridoxine 152 | 7838488.86 | 8203173.75 | 6789423.31 | 6949025.55 | 7781511.60 | 7469590.73 | 6637716.88 | 7072493.37 | 7511716.51 | 6834830.72 | 6318372.15 | 21877794.74 | 44249371.92 | |
| Pyroglutamic 84 | 257159331.13 | 270011131.53 | 229252122.13 | 214796405.90 | 214806815.47 | 234428912.77 | 220838277.53 | 210689014.43 | 189127715.07 | 212222339.87 | 268236552.87 | 85684833.35 | 29805423.59 | |
| Rotenone 213 | 2987.55 | 2174.47 | 3625.68 | 1897.87 | 2444.78 | 2991.02 | 3930.93 | 2478.17 | 1993.10 | 3483.65 | 3813.55 | 2188.56 | 1739.25 | |
| Sarcosine 30 | 585400.72 | 516631.32 | 345940.21 | 603147.69 | 565687.94 | 603802.83 | 446259.62 | 377380.00 | 534994.67 | 586269.57 | 506071.11 | 1144.92 | - | |
| Sarcosine 44 | 3909.09 | - | 3267.27 | 4046.80 | 2694.47 | 2634.43 | 253583.81 | - | 3441.17 | 11474.99 | 4615.00 | 19822.84 | 9345.47 | |
| Serine 60 | 15497749.62 | 15279674.92 | 25652294.39 | 35090108.10 | 31307809.07 | 24924071.94 | 25839211.16 | 26105314.19 | 24797820.13 | 41641946.12 | 19494716.95 | 11543244.93 | 10046421.07 | |
| Thiamine 122 | 23758008.55 | 22490777.66 | 26328350.70 | 16101864.91 | 15384013.00 | 18413827.50 | 26511288.70 | 22730652.38 | 21331445.81 | 19581741.94 | 23951108.26 | 12924732.67 | 28598134.61 | |
| Threonine 102 | 3400900.59 | 3557703.87 | 5896530.56 | 9523445.57 | 9032646.68 | 6715404.07 | 4446876.42 | 5707811.35 | 6124472.65 | 9986537.37 | 3062340.81 | 5087290.81 | 12898852.11 | |
| Threonine 74 POS | 5893609.58 | 6113701.35 | 10272282.71 | 16733812.13 | 15208969.33 | 12001472.29 | 7954907.14 | 9782343.28 | 10472233.58 | 17550840.85 | 5484817.85 | 9379569.41 | 22847794.59 | |
| Thymidine 127 | 26713.78 | 25008.25 | 29091.73 | 25249.51 | 25689.96 | 30914.48 | 16398.87 | 22278.63 | 21402.23 | 28157.39 | 12028.82 | 14547.73 | 318842.57 | |
| Thymine 84 | 23011.34 | 24692.33 | 21505.11 | 20361.60 | 15949.47 | 27965.93 | 18558.60 | 14103.64 | 15604.52 | 17714.93 | 12825.04 | 4808.48 | 72812.27 | |
| trans-4-Hydroxyproline 68 | 45221032.80 | 45884083.29 | 55629346.09 | 71445893.50 | 67516864.45 | 55127638.63 | 60631732.71 | 48918689.63 | 51701764.53 | 72696670.22 | 49578503.35 | 49367609.25 | 3888.83 | |
| Tryptophan 118 | 7011238.52 | 7111491.76 | 13314150.40 | 24801740.51 | 21329003.74 | 15520252.95 | 9788584.82 | 14396373.51 | 14154566.80 | 24701221.16 | 7278156.56 | 4701656.11 | 7660978.89 | |
| Tryptophan 146 | 20540626.17 | 20767528.51 | 40017595.44 | 69773886.67 | 60933478.90 | 45233003.92 | 28638806.97 | 42127460.54 | 40345796.50 | 68909467.55 | 21068960.90 | 14012082.55 | 23195916.05 | |
| TVB-2640 386 | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| TVB-2640 412 | 664.12 | 902.78 | 434.56 | 520.69 | 738.75 | 721.72 | 469.04 | 791.12 | 716.27 | 341.47 | 623.57 | 289.92 | 512.12 | |
| TVB-3166 116 | 9678.36 | 8872.43 | 13291.24 | 10186.18 | 17901.22 | 9168.48 | 15185.39 | 9208.34 | 13615.04 | 6262.87 | 8747.83 | 4136.24 | 1235.54 | |
| TVB-3166 342 | 394.22 | 406.78 | - | 863.76 | 211.02 | 320.03 | 657.10 | 461.97 | 616.94 | 722.00 | 769.05 | 840.33 | - | |
| Tyrosine 123 | 17578389.76 | 17247033.16 | 31149292.86 | 57996127.17 | 50990643.13 | 35939490.09 | 21029425.59 | 33580444.11 | 33751894.19 | 57005333.86 | 17456729.54 | 24636280.99 | 38515234.17 | |
| Tyrosine 136 | 22158872.85 | 22327547.86 | 41816629.98 | 73505766.53 | 63637779.47 | 47119886.37 | 28681484.76 | 42148045.04 | 41655156.13 | 69442772.93 | 23046951.34 | 32742143.48 | 55261586.96 | |
| Uracil 70 | 383372.54 | 603496.75 | 550765.67 | 395953.31 | 563997.94 | 607692.34 | 371645.26 | 513578.31 | 557266.42 | 596851.73 | 352183.75 | 120396.63 | 93270.42 | |
| Urea 44 | 3606799.30 | 3533956.30 | 2384114.97 | 2141729.42 | 2447417.26 | 2931478.40 | 3057738.89 | 2057456.32 | 2260001.35 | 1901255.01 | 3960811.09 | 3290505.49 | 56822.89 | |
| Valine 55 | 5093310.25 | 5240851.50 | 10745365.20 | 18665173.28 | 16411057.77 | 12265575.05 | 7024919.81 | 11509814.71 | 11191611.99 | 18384687.42 | 4805759.61 | 7422361.52 | 16749989.99 | |
| Valine 72 | 14677027.16 | 15030196.02 | 30030784.92 | 49594337.12 | 45404564.34 | 34117029.87 | 19777292.11 | 30564880.65 | 31321835.41 | 49253661.71 | 13198653.96 | 20561236.50 | 44798734.16 | |
| VY-3-135 355 | 1564.90 | 801.05 | 2287.03 | 1151.71 | 734.85 | 1139.15 | 16990.26 | 512.85 | 378.50 | 652.61 | 798.10 | 1588.02 | - | |
| VY-3-135 412 | 34903.94 | 32252.01 | 92960.73 | 22755.86 | 33538.74 | 29333.63 | 416540.25 | 22333.32 | 27161.08 | 24182.97 | 33180.66 | 18424.21 | 3404.88 | |
| VY-7-137 233 | 892.79 | 550.44 | 875.35 | 695.17 | 959.29 | 1033.23 | 667.34 | 659.43 | 2732.47 | 616.00 | 646.88 | 337.77 | - | |
| VY-7-137 508 | 51536.39 | 49308.57 | 65042.11 | 103635.91 | 92116.67 | 84598.91 | 60456.33 | 82838.72 | 106807.84 | 103245.64 | 51680.61 | 14106.18 | 1104.03 |
Factors:
| F1 | Sample source:BT-474 breast cancer cells | Sample Type:Intracellular | Drug Treatment:1 uM Fasnall |
| F2 | Sample source:BT-474 breast cancer cells | Sample Type:Intracellular | Drug Treatment:1 uM Fasnall + 1 uM GSK2194069 |
| F3 | Sample source:BT-474 breast cancer cells | Sample Type:Intracellular | Drug Treatment:1 uM Fasnall + 5 mM DMM |
| F4 | Sample source:BT-474 breast cancer cells | Sample Type:Intracellular | Drug Treatment:40 uM Fasnall |
| F5 | Sample source:BT-474 breast cancer cells | Sample Type:Intracellular | Drug Treatment:40 uM Fasnall + 1 uM GSK2194069 |
| F6 | Sample source:BT-474 breast cancer cells | Sample Type:Intracellular | Drug Treatment:40 uM Fasnall + 5 mM DMM |
| F7 | Sample source:BT-474 breast cancer cells | Sample Type:Intracellular | Drug Treatment:5 mM DMM |
| F8 | Sample source:BT-474 breast cancer cells | Sample Type:Intracellular | Drug Treatment:5 uM Fasnall |
| F9 | Sample source:BT-474 breast cancer cells | Sample Type:Intracellular | Drug Treatment:5 uM Fasnall + 1 uM GSK2194069 |
| F10 | Sample source:BT-474 breast cancer cells | Sample Type:Intracellular | Drug Treatment:5 uM Fasnall + 5 mM DMM |
| F11 | Sample source:BT-474 breast cancer cells | Sample Type:Intracellular | Drug Treatment:Control |
| F12 | Sample source:NA | Sample Type:Medium | Drug Treatment:NA |
| F13 | Sample source:NA | Sample Type:QC | Drug Treatment:NA |