metabolite_name 01 Blank 02 DMEM/F12 no adds 03 BT-474 LW6 Veh cells 04 BT-474 LW6 0.1 uM cells 05 BT-474 LW6 1 uM cells 06 BT-474 LW6 5 uM cells 07 BT-474 LW6 20 uM cells 08 BT-474 LW6 50 uM cells 09 BT-474 LW6 100 uM cells 10 BT-474 LW6 Veh cells 11 BT-474 LW6 0.1 uM cells 12 BT-474 LW6 1 uM cells 13 BT-474 LW6 5 uM cells 14 BT-474 LW6 20 uM cells 15 BT-474 LW6 50 uM cells 16 BT-474 LW6 100 uM cells 17 BT-474 LW6 Veh cells 18 BT-474 LW6 0.1 uM cells 19 BT-474 LW6 1 uM cells 20 BT-474 LW6 5 uM cells 21 BT-474 LW6 20 uM cells 22 BT-474 LW6 50 uM cells 23 BT-474 LW6 100 uM cells 24 RPMI with dFBS 25 BT-474 LW6 Veh med 26 BT-474 LW6 0.1 uM med 27 BT-474 LW6 1 uM med 28 BT-474 LW6 5 uM med 29 BT-474 LW6 20 uM med 30 BT-474 LW6 50 uM med 31 BT-474 LW6 100 uM med 32 RPMI with dFBS 33 BT-474 LW6 Veh med 34 BT-474 LW6 0.1 uM med 35 BT-474 LW6 1 uM med 36 BT-474 LW6 5 uM med 37 BT-474 LW6 20 uM med 38 BT-474 LW6 50 uM med 39 BT-474 LW6 100 uM med 40 RPMI with dFBS 41 BT-474 LW6 Veh med 42 BT-474 LW6 0.1 uM med 43 BT-474 LW6 1 uM med 44 BT-474 LW6 5 uM med 45 BT-474 LW6 20 uM med 46 BT-474 LW6 50 uM med 47 BT-474 LW6 100 uM med 48 RPMI with dFBS 49 DMEM/F12 no adds 50 Blank Urea 44 111667.4122 293424.1027 7668822.467 10161211.4 10289146.01 6475201.653 5768987.108 6749393.637 5639708.003 6811989.016 8563274.147 8347245.804 5867335.074 7896209.751 5819458.141 5220891.067 6560939.472 8098831.984 8690433.548 6414244.561 5382376.277 5774447.24 6482254.031 31570533.32 8925138.205 10203746.32 10984612.55 9345868.089 8771064.528 9334984.312 8316381.419 33758871.39 9623321.553 11196303.86 10644870.75 9761135.339 9114186.641 8642794.984 8585111.551 32086589.07 9235183.384 10752607.49 10827096.3 9404496.209 9023520.993 9807225.64 8195728.393 33069683.66 53167.95655 179955.7605 Ethanolamine 44 9764.991016 23593.91893 235747.9603 207437.439 254384.5551 247104.6165 234709.3438 272458.0325 223280.9865 192301.944 188308.529 182759.7977 219224.1307 285940.6157 222294.5601 198718.5141 158943.5248 181656.4518 201908.2878 231228.2144 221384.1863 205163.855 241510.134 5436.827419 31074.77465 30085.40672 15244.89063 7022.405828 15089.00109 17331.69288 6585.477494 8307.80434 7200.886751 24906.20208 15979.38921 7025.525693 9519.967803 17389.7811 16846.27845 5305.03271 2489.739627 16306.58259 8850.699768 12592.90979 7262.149044 6161.753068 9959.678438 14769.77717 9013.641622 10035.27961 Ethanolamine 29 482.0323468 503.2214049 8358.820464 8628.985097 8505.363116 10536.28046 9819.758458 11040.93642 9211.942064 6677.755239 7510.879008 6588.2601 8562.92274 11181.43499 7483.742301 8162.738681 6103.464516 6963.005776 7926.792101 7936.058132 8509.800418 8812.5522 10022.68285 92.99991702 296.4481767 382.7850496 798.5333815 259.0566726 223.9954802 385.5856532 539.2470713 309.5217147 348.102742 382.3140778 504.5249582 306.0862623 499.4971197 432.4468833 624.5032199 370.4922227 192.7976301 527.2664023 202.67034 653.1011902 536.810388 243.6477424 299.2899607 152.9238258 255.3746573 323.2754607 Glycine PAR POS 79588.43254 4974045.489 28260139.43 27861145.11 28270916.23 32778757.48 28053255.01 28582698.77 29668582.54 32442408.83 27762648.36 26972940.77 32760186.9 27024871.05 26786264.62 28786836.08 29735906.85 26821637.55 26688443.76 33787254.39 26855728.23 26175767.21 31116909.8 2741264.752 2839179.588 2468807.314 2434556.335 3578057.511 3289353.182 3275277.167 3754884.815 2860059.23 3494829.043 2911397.442 2501537.016 3434323.569 3256681.764 3550942.411 3864922.494 2797651.276 3175659.099 2351628.314 2369837.809 3121083.127 3362988.803 3323361.567 3703523.608 2858920.913 5280714.793 21277.8832 Alanine PAR POS 8602143.418 7126305.704 129719319.3 157076968.4 146436826.1 153453964.9 140185472.3 134205907.8 118845223.1 127177227.5 143500783.2 153548384.6 150604057.9 138137625.8 133056775.6 116575612.1 125819562.8 146855938.7 144829493.6 148482682.1 144287853.6 128267109.8 125061536.2 1349211.932 17937281.25 19964665.36 23816108.7 27843538.3 28288408.73 22396001.1 21694500.07 1417953.091 19782303.29 22436710.57 22646992.41 28879361.15 24445380.97 22447738.54 21067659.81 1481356.092 16749035.45 22998163.36 24101073.14 31051233.52 26964920.94 22510090.51 21656280.29 1460363.845 6997168.513 119498.9412 Sarcosine 44 478844.2768 6042.892317 91013066.75 768557.1007 113875293.5 1618.641504 678197.6801 1242.66512 561272.4528 745700.7426 4831.004586 722174.6957 112926609.7 5519.681178 625713.8836 572594.1481 790820.5084 107861012.9 759623.5271 108649921.5 507589.7598 550837.045 659404.2398 50979.4854 62316.99139 52157.86422 48328.42172 60872.10522 45031.61206 56251.39106 65641.82009 36977.30756 71205.47398 55398.28516 43446.78579 56437.7151 21762154.23 51290.48356 58301.74973 43334.64621 70791.78488 63968.26078 62237.04112 62902.78427 57291.54656 52943.24844 60850.86948 24489.83406 19246.99734 8528.688888 Sarcosine 30 142391.8509 934218.1372 11390.58208 3656.676321 11969.76351 932935.4806 1030711.458 5017.457011 11456.17548 4093.080532 8867.66782 1086582.505 9151.935868 9415.924033 6763.227299 8481.423441 14041.8052 13146.46429 1107792.171 930428.4289 937937.9297 9029.627717 698.4385629 4209.346878 3898.149394 1196.144767 2259.689659 2101.106707 913.763717 4117.860967 291.8468826 3175.38077 1279.745318 513.9240687 307.0547916 1670.178708 6553.105215 3313.690152 1156.996121 768.4285392 1051.602207 3393.491284 1774.592008 4053.97275 1977.473612 1395.953911 336.7474996 162.054044 313.3036866 GABA 87 4095.712789 7426.402056 10262119.1 11307894.28 11514353.46 16838550.15 12977396.58 8727115.464 8694195.639 9481198.267 9776037.818 11226736.98 15741748.32 10904858.95 7699660.184 7938245.535 9190260.062 9949419.766 11760593.3 16235816.48 10485537.85 8122360.45 9325960.638 6987.089835 9920.967742 14821.34627 25181.99046 32251.11287 28308.37177 18807.44625 17146.56105 2929.840867 16849.64818 15310.64133 18340.92885 40160.62042 30315.79861 25732.95312 17604.90068 3286.103251 13334.74631 19144.53277 13009.25104 34694.81769 31680.14323 16929.5723 14863.91068 2401.999235 4814.642868 679.6748452 Choline 60 1273.263286 851.6966844 17747349.74 16463869.9 6967420.72 14388738.71 14233736.49 16581439.24 17677878.35 17654442.46 16009706.98 17036210.22 8360499.367 9460810.907 16753881 17918666.92 17734312.08 16311870.24 15798442.69 14143574.03 14220124.75 14488608.03 20402663.97 13033162.95 439729.1702 516469.9055 521854.9075 1110047.121 831566.6683 663106.1781 620176.3931 13635140.68 395517.7843 543106.2417 523411.873 1193209.686 775676.7877 606531.116 628841.83 13229015.2 435535.502 471583.6477 530369.387 931930.7392 995593.4406 516229.0759 659041.1257 12959727.13 33540358.33 1466.270841 Serine 60 70458.20208 18168744.19 30958519.01 36775255.14 38030751.2 27683432.81 25821426.1 27980224.57 23576616.56 28552700.75 38032925.55 38345181.91 26773929.53 27671408.06 27513590.17 24239260.81 30724234.45 37604205.61 36764944.99 28302113.31 28658090.09 29459239.71 26517934.16 13234127.64 5360715.653 6122706.598 4649550.156 7738553.409 7737731.124 5931478.863 6385253.868 16244775.03 7083269.376 5365568.109 5833919.997 8046034.575 6979328.707 6842971.039 7901175.905 16557987.77 6854523.954 5675158.694 6366877.355 7751691.73 6963755.155 5903193.13 8607887.129 14551889.82 12692805.23 14755.01747 Uracil 70 49600.93817 127226.2755 177475.2355 224342.71 280805.1775 150765.0595 189634.856 187558.0705 184942.271 210273.3185 161666.808 236745.9705 242166.4985 315533.999 346438.797 246419.294 388401.874 358994.6765 267855.8655 377629.5215 340873.0795 363217.0599 779798.742 230479.969 166178.5135 143128.1475 303271.5285 276122.4775 358179.3505 337381.048 246100.049 307704.4285 389682.609 259708.4905 256357.124 309361.9675 417419.3095 147894.201 120577.8865 325073.0095 230009.606 290327.2095 294610.759 304897.7075 318536.4 309478.5545 380171.42 182308.1035 404956.567 883184.2845 Proline 70 1767.730436 7533815.023 21051421.5 26485365.9 27668477.87 32741238.02 29241569.78 23736814.31 20329967.48 19521141.03 23697761.28 26227665.15 32346994.95 29017955.42 22344728.69 19381483.95 16074337.27 25221124.23 26981335.29 35549426.8 27711500.92 22316789.06 19876721.24 7557504.046 4473145.092 4827098.38 5333178.57 8192597.959 8981466.187 7250609.824 6979086.866 7260716.235 5309820.154 5257494.827 5201927.877 7706118.651 7991434.09 7266382.415 7216270.703 7436185.507 5612333.764 5070027.615 5462223.163 7702770.566 8807136.21 7122639.714 7027970.436 8035872.338 8166109.607 1354.269246 Valine 72 2371.324032 42850704.19 14066912.72 12403759.48 11889240.42 15369490.02 15174500.8 14110125.94 14314095.82 13159564.28 10199714.96 12566668.52 12453761.9 15698763.41 14593467.09 15754500.09 13580963.74 12382472.21 12646099.61 16073392.72 14182486.98 14580635.2 16188407.81 16884003.2 7679698.771 6377899.521 5979588.72 9621863.807 9921291.795 11730880.57 12718072.16 22897430.41 9259176.872 6721380.436 5927811.363 9284382.853 10563006.04 9258002.668 13523969.03 19834755.58 8131444.067 5559699.884 5553914.667 8659201.746 10979702.14 8872580.253 10055866.36 21579571.91 43910340.52 5726.82239 Valine 55 480.3461433 15385598.15 4595650.499 4158462.711 4095787.029 5023156.469 4914601.761 4639480.767 5772318.318 4800135.477 3715964.009 3850537.932 4615921.89 5089464.503 4937155.516 5418927.998 4786642.871 4159293.696 4076234.686 4957932.561 5101384.817 5130648.296 5480189.05 6230852.798 2468530.986 2258311.148 1791159.699 3235418.793 3508981.614 3583244.364 3913292.141 7179809.433 2950324.773 2118593.782 2121536.503 3344789.968 3239664.787 3669436.9 4198719.364 7173545.88 2747303.907 1950112.951 2114755.769 2920124.122 3412036.31 2959280.644 4207859.439 7114586.25 18518958.69 369.3688537 Threonine 74 POS 68338.26381 35555919.86 9010005.487 8836471.304 9217219.485 8691100.892 9001439.462 8523182.672 8191474.827 8423959.763 8993287.921 8758867.928 8350736.397 7915138.911 8976661.832 8109581.58 8589595.057 8941123.414 8860648.362 8266590.699 8517194.56 8751408.987 8302386.537 11731045.25 7359285.394 6343477.532 5876964.343 5998914.644 6625330.894 6883414.512 7764780.611 11381787.47 7486639.409 5614824.928 5841886.754 6094399.41 6467688.609 7850182.374 8531178.771 13136004.53 8402386.406 5972444.92 6059744.137 6045109.381 6782995.804 7154144.582 7956990.853 11579956.72 38899088.84 28298.40905 Threonine 102 236463.3051 22051441.78 5033659.96 4923285.726 4947964.461 4799096.6 4834831.358 4586162.878 4376603.809 4509558.499 4928973.933 4869760.175 5005341.533 4745349.51 4748604.075 4762874.053 4757595.601 5205714.4 4924280.042 5031081.666 4995459.26 4886967.789 4972982.97 5656459.711 4006249.633 3289280.146 2986256.44 3297420.38 3763575.965 4391608.947 4646805.392 6571382.644 4111515.064 3411702.435 3257407.856 3709609.637 3943391.721 3961543.907 5182760.005 6062227.742 4209957.098 3068654.175 3221537.584 3199743.726 3674352.679 3700022.453 5079879.379 6651069.5 21035947.71 331130.2661 Cysteine PAR POS 30094.01981 1078176.909 603552.4621 500059.152 402983.1735 475169.1979 244976.3205 512360.1192 544665.1196 468940.0265 431513.9642 139446.9121 472787.7089 643003.992 221513.1249 224536.8016 32434.57935 478349.8094 517225.2593 886106.2259 633791.7246 69741.92951 901398.5799 442592.04 230029.0791 319964.4448 197448.9544 295150.8927 253437.4427 339232.5259 248899.7374 408634.8957 473067.3116 265838.7331 247718.4994 110398.637 312331.6037 235546.7277 262340.9596 402200.0029 296802.9675 147516.663 189696.3899 175928.5385 260040.6845 331621.5014 260000.9012 379684.7746 993345.3992 6295.636091 Cysteine 76 1458.632908 162187.5765 63686.92043 60339.42164 74009.28975 133750.6396 141402.2908 163427.007 151491.3839 159389.1442 55613.49463 148614.0977 171915.2721 210203.6158 240412.9899 27227.67081 246369.5836 203759.2085 38927.1966 271467.104 308100.0419 28489.9538 376495.7873 92401.98259 44147.72055 21652.33813 56632.06802 77871.64511 67970.69009 65479.49982 53897.6297 78672.29006 52708.69781 5321.11005 27187.90784 32495.79643 61981.28803 58429.25568 53500.44779 67697.95454 49272.51332 33606.62841 32270.13633 28821.29227 38565.59826 31935.51595 46332.67394 53657.65048 171339.2413 1317.726723 Niaciamide 80 32218.21738 29626623.47 7505805.48 9825427.64 8526981.276 7914993.089 7138107.186 6737241.579 4837950.136 8253753.623 7816759.138 7299650.075 6503214.409 8432467.956 5824072.169 4761786.583 7464654.577 7819276.593 7680797.466 8118928.241 6531207.556 5455213.426 6564827.061 14766211.09 11031029.47 16221955.46 14044961.74 13216590.27 13712284.53 10828343.78 11489754.6 16823400.22 11772851.13 13229002.71 16004743.6 11504637.44 13382282.73 11698395.27 10579054.54 14859780.63 10871088.02 15126452.32 14021301.27 13584453.69 11133880.06 10579457.37 10043675.38 15406632.36 26085772.39 29845.4973 Niaciamide 106 657.7316238 264.6021447 131579.6117 124007.5611 121008.978 121733.4963 80913.26294 87332.55625 73008.94139 110683.2772 111383.1673 90454.49708 98159.37937 122275.3673 90513.10388 65442.54986 118530.468 108139.2655 114056.3544 96975.02458 95064.45331 75378.8175 98156.30214 227424.4685 183.2667458 248221.6656 245828.1998 208628.7757 199283.8279 179.8871607 175513.648 210333.4162 195769.9177 440.5177198 212071.5425 202195.64 92.58242062 163169.6506 190630.9027 244890.5326 183988.7088 217338.4261 222863.3623 209084.7853 187400.9315 815.4151706 162029.0221 224455.0117 515509.3282 1521.672718 Thymine 84 117236.9668 111709.013 8019.554137 7262.491975 26455.78991 12468.52563 23908.9032 11663.95554 10470.35465 6896.635478 12244.03188 9675.838918 10816.99254 15629.94521 9813.051338 11265.16443 15914.54775 6836.856729 6567.027676 12888.79963 6910.103163 7581.170946 18705.22015 12323.03615 8499.081799 14179.2949 5276.779669 9329.927518 12604.70897 13123.02638 13671.44762 9959.868342 30801.03348 10130.90865 4436.447827 22515.08548 12464.89059 10753.59881 8012.161646 7935.577433 13439.41085 5766.233244 5765.9112 16099.71116 15688.07238 18201.57575 12560.74821 11861.76122 95315.40949 13541.05374 Pyroglutamic 84 5048.159993 29624444.76 342555607.5 309588572.2 347398010.2 353657025.4 307306414.8 322113978.8 317562920.8 328154193.3 288212668.6 304203347.7 342656965.5 313723136.7 309901072.5 313017706 313377626 332377161.5 345200251.3 356274530.6 313032083.5 305684511.4 309980873.9 136052729.9 159032561 161903773.9 161340611.8 157282114.9 157252296.4 177695481.3 164331333.9 141315914.4 171891554.2 166818826 174728045.3 172751227.6 161721826.7 168422969.2 176463684.1 143780138.5 166156284.1 180150446.5 154725470.5 153944373.3 156895428.9 168326811.5 171018243.4 148413416.9 26710851.54 12438.36349 Citraconic 113 123597.197 1599.976 64931.396 109914.3885 106689.9215 115229.121 152243.9085 121846.337 131345.265 103632.855 73869.862 86109.1765 90344.29 41191.597 127764.046 122646.7135 73994.2735 100327.409 96444.188 119160.4695 128737.6675 164423.69 94034.66 3673.978 4125.8605 4033.2495 8700.406 14460.437 3963.172 2371.17 7016.7485 2959.0855 4796.9085 3614.9455 2474.298 4751.8895 4416.702 2898.583 3722.006 3001.015 4638.858 5237.2175 2378.52 4717.6145 2900.319 4463.735 5039.803074 2903.156 2455.3565 137235.145 4-Hydroxyproline 68 2690.869108 1797.403633 125440671.1 145616178.5 148647809.3 117788812.2 112530775.5 116698379.1 96926639.78 107004742.5 141518095.9 140678576.6 109952218 113410915.6 110676324.3 97610255.81 115751184.7 143010658.8 144939630.7 111294517.5 115053002 107232134.5 98674556.3 61418922.54 67164932.42 60647560.45 61369533.43 62002073.01 62986755.03 65410684.38 66285115.31 63166483.31 68435380.9 68536014.52 59974446.33 58421356.59 64758684.47 66553634.77 73007668.08 65534888.5 65606829.16 64066817.26 68491925.85 63507843.64 66726036.84 66679458.11 64220185.58 66697403.88 7616.285767 4769.128581 Isoleucine 69 1690.868209 46315383.05 38457973.58 47208012.28 47888158.56 22022344.76 43163859.22 39459138.31 37758622.06 32640680.45 46451877.16 44970158.68 42908661.49 45132221.12 36506997.4 36479993.31 38351181.29 46404023.81 45652045.62 45313084.45 42251688.74 39312793.92 41855646.06 34523325.91 17895511.46 18160257.07 17525024.61 21487139.8 24056866.97 20082591.24 21874742.92 39162540.8 17669494.19 17566657.37 16852173.93 20212763.76 22494847 20893784.65 22742944.03 40676333.12 17871110.81 18287694.53 16600961.36 21095017.61 21732414.08 17756101.84 23948822.18 37411317.05 44024596.73 4382.419309 Leucine 86 537.5510827 29139193.01 17716042.95 81095072.33 77848546.23 23448957.33 22385707.52 67830945.37 25045753.5 21476913.28 20145353.53 72816119.09 25311822.52 70642675.15 18003028.62 29562382.97 21142597.38 73605450.26 19431051.74 26614703.33 64463934.1 64564982.98 70105039.09 17982506.03 8517525.354 10144915.37 7161028.087 9958572.057 11571964.21 10935523.98 12608617.71 19917945.85 9416498.411 8201558.136 7418562.468 12011646.61 11491662.32 9977066.284 13060372.54 21460061.19 7349407.223 7846735.024 10137381.45 10105278.23 12318439.44 9795189.307 12736430.58 23161554.16 22138981.96 923.6480572 Dimethylmalonate 101 693.6055728 19221.64271 2456.539854 3403.406243 4936.95339 1288.588662 1757.855901 212.8271601 4557.104558 1141.444694 2684.013043 1164.4619 1297.248486 1933.720407 3052.346573 2235.168404 3061.826661 356.5548885 4297.955992 1338.581743 2502.90392 2331.424055 1749.667916 997.5423764 616.6346331 2936.493915 1123.88662 632.5480997 1345.101906 654.862812 3276.372145 2710.344397 1557.67046 1365.420774 895.8248902 213.8363925 1335.809548 3711.619424 1563.434129 3732.929067 2953.451949 2564.839981 2355.162065 1269.0904 1757.159675 649.0730233 2372.78913 1715.153589 8613.839632 2006.746241 Asparagine 87 6140.001898 1147957.944 34148880.48 47453424.73 46120802.61 32123439.41 29126627.67 32125033.6 24040234.07 30900560.8 44203675.31 43261373.77 28641920.43 29531386.13 27221797.26 23598589.16 31718887.98 42798767.6 44849015.31 28339902.19 28889701.6 28559425.3 25714855.7 4684495.228 7616881.429 8277789.453 7485737.444 8922593.302 9602535.467 8454747.11 9113021.124 5386562.335 7775256.329 7861861.536 8602898.159 8510757.124 9129339.625 8675575.499 9150656.057 5599494.831 8470675.023 8134183.015 8948354.475 9068295.12 9323925.207 8610010.74 7934414.878 5452376.371 1180267.926 5231.519202 Ornithine 70 70524.57114 55839.08541 30356617.7 50362987.01 49293907.75 41036786.46 29125131.33 29367026.28 19134880.05 27723489.59 45128190.44 45457755.1 34200551.29 27755407.97 21614400.46 18626451.64 27374767.67 43310798.58 46330392.11 35587139.95 23414331.28 17087703.68 14416576.32 60492972.17 13461150 15067305.02 16262398.97 12427842.92 12005207.25 12214042.31 11282113.5 61308794.96 13171145.3 14293889.65 15085051.4 13372905.08 12903070.03 13235527.13 12720504.99 65579120.5 15499354.73 17447918.34 17782794.44 16317398.47 14778470 14714380.73 14738881.01 69714301.85 232632.6917 108953.4724 Adenine 119 6836.783185 6158.485745 246596.3213 216496.7558 207595.7656 191720.1308 212768.4187 268133.5734 208844.6541 227309.338 193414.7376 196199.1321 249201.0259 158042.464 222129.5031 265846.6259 117119.9591 213689.0024 219330.6951 222851.3699 229380.426 246573.9105 298470.4156 72159.89468 31627.36886 12283.16956 27710.99139 38237.55849 40993.92962 53170.28363 30663.32624 20506.26706 25267.19592 46490.51106 33806.39453 14864.03315 34874.58383 20891.91238 7717.529573 3393.70217 22731.54498 30687.54493 40500.42382 17964.26537 20254.16637 20894.80491 35580.99371 8036.341202 5325.713496 15628.79883 pABA 120 3160.37978 271557.2159 52337.82775 43539.01463 39022.68219 58004.76584 74849.00197 50793.22807 47348.73675 30698.26052 45724.14098 43347.19984 39563.11634 58798.74279 56111.04531 37367.9703 39536.33992 38201.09158 46887.63661 71434.99568 52939.69335 55720.1182 57760.37885 281262.7025 130601.4948 119696.9348 166131.865 149495.426 147893.3361 158026.1425 140001.5157 368928.1525 170145.5813 142084.1057 139000.0224 163118.5828 183537.6102 180970.2097 148230.9765 289587.6334 150656.3148 200726.1239 116936.2944 180193.1671 131657.2339 187145.9493 127259.0131 287853.765 77378.11603 3724.925198 Glutamine 84 12363.74417 71593964.29 47836213.48 40648275.34 42758560.09 29606794.46 31190651.81 38518952.82 36836896.93 42240458.24 39202420 37306828.04 28959221.26 34112485.41 36356044.72 35943381 43422175.17 40855517.6 37404263.19 29802496.51 35126540.25 37080834.05 36956989.47 41510072.19 25824338.3 19396825.24 21193061.88 23122250.72 28978248.35 26956356.03 32266260.61 50259700.05 25990017.28 21236851.3 21285847.45 24700863.25 23664674.52 26763388.19 32873225.21 47660804.68 26635292.56 19028881.04 21297942.59 21934901.38 25048153.42 26951341.76 29735075.73 48589800.01 72445326.04 12641.92307 Glutamine 130 2164.731188 109490.1147 94321.74149 61027.06597 57182.53273 44787.83391 41260.69657 66114.46854 55340.70692 68879.79204 60939.72615 54510.87646 46222.20567 44307.15115 80143.92509 61297.54122 82290.5408 62075.63177 68201.18536 51477.05968 53474.26408 59659.41565 66612.76754 87746.97747 37265.24982 27137.83936 26019.81203 33386.24205 42168.88862 38749.72136 43331.08338 70658.82529 41107.67004 32520.51675 29868.62473 49741.9805 37255.55162 40240.6285 39246.83323 86114.26439 45370.02358 24266.03552 37348.75174 28976.35739 41489.63299 34546.20818 41174.44342 72964.54997 118175.0587 Lysine 84 187183.6567 65720425.33 9064386.199 7813488.099 7522714.742 9364195.336 7851859.97 8485072.318 8309357.178 9186175.1 6715953.137 6705903.521 8021056.963 8194574.321 7089844.985 8010506.818 9183518.407 7082236.176 7079221.424 9194404.524 7251913.108 6389857.149 6448269.136 10623651.76 5778743.94 4718700.016 4520967.961 5826717.093 6916026.425 7331075.397 7635906.915 10562511.87 5708541.293 4596465.314 4281078.97 5721563.381 6738690.75 7130890.15 7797071.413 10956278.33 6459150.903 4762245.276 4745200.87 6143088.223 7155287.791 6594940.578 8415420.408 11856255.13 42279553.04 79887.47767 Methionine 104 2309.185351 47821609.59 48683545.19 45327220.95 45315067.08 51746735.16 45959268.72 49641817.88 46035183.85 46468159.75 35889784.98 40662771.21 47906520.38 47826696.6 46728640.99 44986425.41 44800234.27 40573374.17 38348600.12 46729898.2 49036365.47 45854098.65 50591736.68 35235817.57 16211532.26 12151956.92 10682102.89 17352141.11 17532701.34 19972116.94 23009685.6 34532617.35 17655068.3 12069004.77 11994105.11 19553126.92 19262828.95 20665441.97 24027189.08 41323003.96 19538430.58 11126524.04 11093463.14 16686754.74 17472062.23 18955647.6 23037203.24 38457981.5 51281900.5 15024.53744 Methionine 61 605.5802382 21703232.26 19549523.44 17457640.52 17760550.12 21261093.97 19311224.95 20469096.52 18772517.03 19152055.62 16385872.56 17102673.04 18991780.12 19708652.91 19017069.35 18989667.05 19228753.86 17735965.04 17260949.62 20289158.59 20208891.78 20117772.38 19514810.55 14680130.77 6751869.027 4942786.493 4209200.866 7503038.529 7940506.576 7834550.753 9030822.931 15294526.69 7982347.89 5002482.574 5089754.05 7478688.366 8286428.978 8348638.349 9626983.982 17279964.94 7471881.804 4703781.283 4821175.536 6837657.635 8219586.209 7146547.97 10386898.97 17816534.89 21775238.34 2860.499768 Guanine 135 241.9776326 8591.99984 408327.9355 327749.2328 133086.0474 61139.1584 72589.20671 80827.82958 179465.6055 810275.475 198990.3081 184164.1665 51815.59038 1178743.584 89968.52013 107150.2416 753638.8014 226760.9107 252409.1417 70702.72822 86005.25456 114013.0169 443085.3395 3301.564984 115873.2512 57541.46507 65942.50667 73292.67262 67324.83127 93066.87867 137866.3274 626.1797624 168101.691 59636.54191 56453.94046 91827.7436 73304.71936 89440.7561 159708.3144 45.67283257 148218.6267 57493.50146 58557.12768 87199.61512 76673.3371 96141.64123 159821.0381 945.6036032 8156.554334 23.83318109 Histidine 110 POS 178193.2938 241585.7969 135341.37 91835.40159 23344.15995 66496.68084 Histidine 83 4341.796954 1973197.858 750978.5236 1056190.758 568573.0188 548159.9728 486565.8414 444453.0696 454407.6971 630595.3219 787721.7521 720180.0453 700734.1335 634921.2754 608539.1939 620671.9218 814393.0621 875803.5113 1122126.316 889871.9697 842540.0723 829150.8105 716236.153 1302474.163 1097422.358 1096956.072 978001.6958 1190492.23 1177693.826 1199502.36 1279515.971 1432051.132 1209470.891 1165239.842 1034605.41 1202390.925 1227634.655 1244132.902 1257428.446 1534040.761 1191631.048 1061205.916 1109498.658 1020946.764 1211911.68 1121624.959 1269891.651 1401347.172 2301730.056 6133.057803 Carnitine 85 1087.461448 1918.385436 26730384.69 42366131.24 38102409.92 38927737.71 38205711.73 30890325.91 20287851.57 26230674.36 41596664.47 39177133.92 34889332.31 34098936 28203607.57 21120742.92 25050543.67 38876874.33 41163021.82 36198037 33929363.66 29698325.85 25427114.27 237500.3363 429052.9543 304211.1681 317957.0442 289392.2476 358957.314 382005.0613 396848.4638 251568.6293 461262.5515 334461.2287 333037.9771 349596.2449 341166.1408 443258.0905 422505.0688 238674.4127 460287.5243 325635.2369 326447.1336 343091.7486 401900.3548 441695.2467 460352.4062 242868.6769 1801.406882 5011.44314 Carnitine 102 7731400.031 12293829.09 10869296.36 11609361.11 10946569.43 9186205.187 5722060.524 7950286.868 11532828.22 12805302.09 10156782.74 9891103.686 8704509.081 6312401.306 7490429.574 11754520.68 12636093.83 11271903.58 10101979.41 8737701.101 7075450.682 53756.69383 83798.31988 69858.27417 79887.3496 85771.66197 107475.382 120006.1097 103481.6393 63626.81315 99825.53577 106244.5762 80932.55255 64763.24395 109514.0911 106331.7192 109719.0236 68485.91791 121400.4552 73915.38646 74441.18538 99826.44396 99900.6223 119828.7447 95660.96552 67306.26984 Pyridoxine 152 6859.0225 27626161.41 2487389.513 4188725.873 3395677.37 2460055.779 2951846.193 2840520.527 3346218.898 2276074.667 2915380.813 3070823.746 2451573.946 3323970.198 3238437.995 3587673.426 2450993.632 3220125.195 3998889.784 3540479.169 2919362.78 2686873.141 3961497.406 11108238.15 5942847.502 8934853.387 6029117.108 6558027.639 7211367.088 8694874.179 8303668.41 11225689.3 7009615.229 6667033.967 8718189.822 8763536.535 7933793.749 7784880.811 8262608.649 10433562.78 7312614.12 7646793.879 8001875.054 7002035.412 7504884.572 7365426.477 8645036.004 12421546.12 24297690.81 7490.185 Pyridoxine 134 687.36 22201637.07 2690433.008 2662557.511 3082567.748 2131228.379 2387887.181 2343259.562 2595311.298 1918486.327 2373055.278 2521632.348 2064776.404 2922378.219 2700825.024 2623412.174 2313355.156 2585254.471 2540127.134 3293014.118 2444758.746 2259973.437 2158373.163 7494034.417 5866514.279 5086938.064 6266720.878 6172391.671 7474211.932 5062872.207 6772612.612 9356634.505 5329563.095 6176870.765 6395235.629 5608057.468 5412699.542 7096131.914 5209929.386 9493143.254 6558024.756 5918238.743 6430990.768 5862583.02 6912193.107 5549615.986 5812062.37 9301869.133 21801722.48 Citrulline 70 11086.10331 1515.661666 940109.957 1264921.374 1096462.814 900838.93 657387.8843 850636.8791 662938.3387 827024.5538 1041742.651 1038329.057 791813.1913 803243.6999 743366.1736 601384.8385 851965.2703 933978.3722 1109270.354 810966.0019 689959.3579 688330.4483 784589.7907 220622.6636 501088.6244 375650.8103 389106.7241 426644.5828 414553.1863 360581.6494 400102.5044 258017.6059 450788.6249 492632.9094 422820.9465 478025.8173 398009.3875 469137.3132 430629.6813 333310.6102 523437.2297 453214.4018 451620.008 442998.1399 446019.4862 501620.8495 561869.9802 313866.0554 29799.97655 8140.487575 Citrulline 113 1054.688917 3501.11701 28050.89618 40939.90872 33293.31472 28932.92103 20158.56784 25115.30535 19613.47489 22024.3205 32916.31072 35000.55434 26483.56594 23547.57146 26164.81326 20679.36667 25155.53156 31963.34777 37047.49748 25449.92873 20709.5979 29647.61089 25602.67502 8067.124155 16339.21921 12477.29136 12106.60977 17361.71776 19689.88371 16215.30584 12830.28758 8649.108534 15164.08482 15330.96305 12765.18623 18976.46486 18147.5103 14544.20287 17605.68527 8264.865792 12419.62307 16124.53724 17288.03942 17004.81327 14232.93591 15193.68042 14287.92565 12093.32554 1679.277473 443.798273 Tyrosine 136 4207.59546 67818257.07 35483471.93 42171578.71 23918745.6 38775483.27 35368322.67 40487663.35 28721822.18 34775786.95 36799258.06 38945580.81 38422113.15 33962434.62 32224832.82 36585473.47 39044082.68 43203536.7 40416675.46 38331275.78 30836198.97 37873079.67 35895943.25 28570502.69 16004636.29 15505152.9 15775033.59 16087764.36 17785085.56 22354759.21 21303827.56 27537929.72 17485959.61 16139629.21 13590575.81 21381888.96 17952765.84 16477064.96 20862516.82 27076527.98 16652427.1 13379885.72 15644650.84 15596506.11 18842899.41 18492864.29 21920886.86 25301912.2 47790669.09 3670.019797 Tyrosine 123 2308.08008 50562894.94 27555389.61 33330960.53 35982328.02 33412936.4 28327200.17 27259268.99 26017729.44 27616155.91 30655205.27 33459727.12 29294520.6 27179181.9 30684680.76 22993410.05 28016961.99 32750360.27 33217397.12 31670611.96 27026420.58 27871078.04 27370006.14 22789425.26 11840522.97 11788142.22 9449826.136 12699059.26 13891652.51 15985127.58 16042553.22 22592561.68 14525928.59 10897273.79 9982280.932 11783045.74 12787714.18 15704837.19 17355490.99 22996222.86 14122679.73 11970538.3 11482232.76 13675228.33 12600033.87 14169163.36 15837647.01 21979224.2 43576125.23 1111.543843 O-Formyl-L-carnitine 145 2938.061723 34429.62221 27653.56504 26084.3954 30060.75134 34602.71279 34536.14775 28576.00483 30132.88885 27060.40786 21437.24784 25430.07987 33744.89189 28935.70394 33108.73588 30021.06769 27605.20245 25063.79241 24725.73742 34454.3161 26905.30593 28260.4562 29565.43396 12604.72914 8301.270801 5903.9386 6661.282364 9492.861151 8392.43313 11074.66131 11996.42456 19040.378 8071.406535 5014.987271 6049.88084 10167.53175 12286.43771 10712.7752 10353.25278 16240.74643 9714.724857 8093.85552 6550.133613 8160.697636 13556.15405 12544.61371 15190.43158 19011.75239 38970.41478 688.5311194 O-Acetyl-L-carnitine 85 1729.979211 2189.319621 133089746.6 187561671.7 199696193.4 207463859.8 165858022 183026097.3 158715251.2 125781729.3 180228178.8 203151658.9 199127585.2 165734775.6 173848160 148764085.6 131725554.9 182630238.5 203250981.7 214425661.8 174727711 165781650.7 162306560.4 27569.83891 4477110.842 3376522.335 3231920.724 3506079.467 3928971.034 3894385.011 4395904.926 26228.08502 4929282.886 3451550.101 3607255.61 3963716.575 3947026.542 4332153.23 4350505.227 23794.739 4886325.397 3805753.891 3570386.766 3798122.441 4089668.86 5080184.634 4736902.538 27755.8181 1084.538732 1154.343434 O-Acetyl-L-carnitine 145 2678916.734 4670372.825 4938529.237 5366187.013 3866301.097 4097938.682 3472828.064 2590135.126 4388302.328 4758113.403 5105077.423 3868527.313 3834104.882 3406694.917 2724673.895 4402297.041 5018296.947 5496857.884 4061506.587 3642734.457 3549459.648 221.4641261 63948.35663 60076.74091 57169.39416 62244.72183 68617.39849 60998.76259 68784.09949 31.68178429 71418.39076 59550.18463 66880.59457 55684.36622 66226.94071 75828.85645 70702.87406 2291.910034 75154.89663 71106.9463 51925.88977 71719.67724 61694.69896 80560.62163 83100.69856 1340.988654 Tryptophan 146 1651.13275 27062785.16 23839035.22 21445524.88 20440278.8 28149501.06 26983402.59 25848259.33 22048940.09 20720159.88 20235817.44 19547857.16 26051910.9 26221731.89 25345493.66 22080300.43 19801140.72 18993747.92 21473746.34 29635684.4 24889822.54 25355213.22 23957395.72 7510392.207 6427905.576 4907310.82 4403333.675 6824615.185 7113712.333 9191087.053 8313006.133 7440587.924 7244861.895 4118963.613 2524894.173 7925435.655 8053415.188 8709893.813 10564286.77 16523311.01 7605677.536 4237377.596 5958461.934 7761258.178 9007343.731 6836218.619 10435297.59 17643757.2 28606433.95 2589.250611 Tryptophan 118 112.5724601 8920990.636 7405362.727 6654569.7 7094488.101 9017702.361 8321672.445 7953314.585 7443632.324 7166138.55 6128149.444 6034142.26 8325498.837 7676785.862 7849869.008 7659824.578 6571449.581 6418191.454 5782105.576 8662200.13 7715248.571 7975583.114 7460749.354 3496215.057 2183916.989 1504083.924 1418247.768 2290755.173 2251252.514 2578012.28 2861073.213 4176479.106 2311486.007 1581248.99 1576244.817 2354589.503 2772751.61 2796745.26 3262322.159 4720223.695 2350124.329 1504890.317 1584802.741 2332753.231 2589869.001 2621744.09 3227101.521 4906044.871 9373708.387 143.3737098 O-Propionyl-L-carnitine 85 1690.558153 6568.527052 67518604.1 92325008.6 86033617.83 104174338.9 86597813.41 66732269.15 44504596.21 71860322.64 91053432.58 89909216.73 116650353.6 75255968.94 65909990.37 47131990.2 58334625.02 66320974.95 86231656.35 117494009.4 58495240.47 56185084.62 49552847.08 67420.63655 612052.0669 367926.6688 352273.9871 333972.9361 410805.0678 460845.9031 597067.8026 80556.03926 645257.2143 384344.4504 337791.3693 369296.1066 492155.1002 544820.8468 623358.7182 74903.55836 751262.2145 374517.1763 365558.0697 352180.9104 381245.6432 584537.4629 556478.8148 88166.46794 2227.486412 665.4864194 Pantothenic 202 395855.7535 5516360.332 16340749.24 19436007.28 17840358.25 17604444.76 14968145.83 17027627.47 15889447.06 14869753.45 16234148.6 17111692.94 16853730.16 14164305.36 14387882.7 13660166.16 15419782.9 18906786.12 17542518.91 16265775.35 16535655.4 13265062.21 14935737.72 854287.5429 1136819.264 1398380.841 1305244.573 1432388.002 1409557.302 1208061.92 1013025.799 936260.1 1583416.992 1424803.605 1456858.755 1393452.613 1659291.072 1730222.208 1560411.328 1062188.3 1613135.808 1420964.124 1746192.332 1764716.296 1451788.806 1557601.67 1314284.497 972579.8759 6891955.958 480591.6724 Cerulenin 207 114058.9913 388926.6508 248006.8837 173601.5592 229128.5204 147420.6621 167186.1188 168001.6335 148117.3902 192200.7153 164774.5787 121828.4448 110744.5321 187355.1257 144750.9745 151412.3438 164333.2733 181422.172 232744.6999 98798.34649 143893.2619 171431.2446 140049.2012 70726.84045 47195.44408 45790.48624 39069.72507 31675.88771 27200.17644 67271.89769 42813.37826 69647.16164 54667.12631 48154.49749 40162.3475 53836.53298 29078.06155 36830.74883 65245.04603 58011.49575 55143.96663 34547.77832 27748.8775 72728.94524 24473.95968 58738.10878 44057.32252 61615.21268 252934.4779 118447.8155 Cerulenin 89 1089621.329 62420.91948 2754228.978 2806744.53 2536778.743 1436819.4 2026295.81 2256971.753 1847182.703 2403971.501 2392764.748 1776862.21 1341224.884 2040221.062 1743473.182 1773938.898 1859314.418 2163108.269 2800631.903 1538596.814 1801955.414 1760731.603 1700976.954 74840.09584 642197.8359 572293.7732 482102.1373 261736.2448 347137.8442 671491.6085 402019.0834 87899.19891 756720.4036 345199.9884 384590.0124 350600.7121 271234.9142 481500.2391 562839.6698 72542.87943 646909.9569 595539.026 195127.0404 590338.7164 173085.9753 524063.424 498603.9749 87993.99144 79997.94841 1153755.367 O-Butyryl-L-carnitine 85 36438.83139 1663.509493 50030098.83 109553714.4 110213381.1 95328304.86 85328574.59 73767135.34 51568196.98 48040965.15 97694171.36 99876972.01 86117780.59 83787307.71 69573450.18 51207595.69 46691624.3 96262003.3 100027850.7 88377514.12 78407189.46 70956475.72 52614457.04 160624.6843 2660452.505 1406533.416 1734119.917 1156738.046 1329653.064 1933694.997 2593013.492 160442.5564 3186950.464 1613184.009 1404157.093 1325907.595 1500207.891 1824547.16 2440314.533 160174.54 2921012.984 1645158.547 1712086.165 1325562.019 1364086.348 2374988.438 2416949.712 162966.8955 2516.371682 51499.73585 Thymidine 127 2397.384564 415942.6641 23886.58497 25397.74924 23433.66992 31186.4707 36441.6284 32199.63707 32104.06875 23882.41015 18851.99573 17895.83942 26960.8627 32812.23432 29320.74818 31395.37703 22173.07385 18158.65501 16327.51891 18921.93755 25942.2803 25476.97726 31585.60497 7079.587524 10311.67945 7588.627592 9367.381217 11614.48008 6471.617642 11158.08665 12651.39646 6077.151221 12814.07581 6552.575042 9336.417671 17751.9216 11719.42253 10784.9638 13146.44275 7073.859902 20871.31722 7995.866962 7702.438841 9813.009146 9925.381458 14552.11772 10807.0201 9763.997246 422926.0587 2124.182117 Cytidine 112 1001.741035 36896.25702 3564881.129 2971213.529 2428765.613 3463470.338 3285819.317 4096445.316 4874376.608 4199181.553 2112956.378 2310857.928 3727296.477 6422950.14 3836106.538 4639149.009 3954436.092 2163972.483 2426529.127 3173460.982 3632317.987 3978951.852 5045939.098 135515.9735 477862.5852 271236.5549 215853.1136 479696.2655 306729.9087 380993.6182 496563.7589 141634.4863 658164.5904 251950.0319 302770.9141 523190.2919 341020.0825 413939.9097 663605.4694 156487.9365 588131.0042 250896.4247 284495.5176 521501.2309 381738.3535 398890.3965 606578.7456 158924.0139 1589.930802 Biotin 227 36599.61617 88795.76458 11917571.02 14476608.73 14698211.88 14513995.82 9765237.279 9276482.933 10119195.67 11014594.9 12557374.04 13575540.41 11595973.49 8618851.138 9982495.548 9771559.183 10601554.87 13732764.36 14930607.65 11978452.78 10498092.47 10015605.34 9736879.859 2535150.068 2919599.506 3249407.083 3077313.907 2275100.772 3452793.869 3719356.66 3697447.3 2914862.253 3098372.764 4059157.532 4186016.916 3640107.778 4063774.65 3053813.678 3858066.231 2882300.665 4079380.671 4026055.431 4037375.225 3292957.496 4074686.038 4319822.36 3081112.936 2774430.961 64787.29673 25935.83377 O-Valeryl-L-carnitine 85 2361746.605 34196.76587 45257144.27 69905925.38 64916594.79 66795319.54 59042224.37 53562769.12 45223650.6 42803660.43 62386895.48 63324958.05 57741675.47 57222009.06 50102745.59 47092269.89 41652115.79 63378477.72 66013806.66 61547876.64 52503322.98 50438516.52 46275090.92 74141.37897 1255279.245 921649.0602 928275.5841 951320.6116 920393.1294 1010576.061 1052417.714 89306.47522 1309713.388 1134458.58 1090235.089 974460.3679 882472.1539 1133599.661 1090764.638 81253.82235 1455354.886 1154188.299 1227268.787 877242.1561 960542.8921 1241515.571 1053597.885 84866.05764 24843.1933 3423945.268 O-Caproyl-L-carnitine 85 41468.64621 11851.691 2397973.528 4674080.764 4140398.829 3200556.118 2615238.365 2367805.325 1894238.1 1980720.972 3974328.663 3629878.079 2825178.353 2571359.918 2161077.509 1764865.241 2018765.956 3813922.865 3840732.414 3107331.471 2571064.511 2230534.485 1841579.233 266647.4789 442182.3231 488588.9067 394000.7413 365416.4759 387273.9589 436523.6418 398585.6396 307063.6412 560984.6847 514401.462 486083.3979 526064.9459 390318.2217 482878.938 459853.5964 362747.8574 477826.7092 492695.2802 424577.1854 524793.3453 413824.3462 432753.1015 440229.5869 317692.0379 5760.58343 55271.05855 Thiamine 122 222.1944923 1477.395451 13223739.35 15499307.65 14806111.92 7713682.23 12371613.04 13644990.16 12982707.96 13335258.24 15309419.28 15622618.31 14445428.76 13612844.94 13213926.31 13035472.28 14033475.5 15122547.8 16399848.93 15412493.08 13322758.39 13620465.94 13604601.5 823730.5321 6994333.217 6508124.214 6311291.462 3903488.466 6971973.089 6737658.489 6375833.379 829937.6878 6070728.3 6972255.79 6514864.818 7015577.731 6840625.421 6904438.826 6618810.616 888246.3535 4800839.212 6690093.948 6763995.525 6680189.053 6697842.198 6690105.42 7130429.568 861103.8338 15718419.76 3685.165764 Inosine 137 521.1093564 56126.15034 728595.6015 457491.1966 416906.1949 639420.7404 706923.8013 824188.6652 1002144.978 906675.7119 417041.3788 443866.9237 620964.1634 725579.025 732272.9778 1006865.481 777857.8654 417561.1665 470102.2935 625314.1485 645896.584 690903.1233 944275.8425 2499.691753 32899.13307 37486.40707 29079.94598 17146.75293 27437.89706 23713.4443 29067.44366 6857.986797 31175.59617 36867.54171 29908.41747 23486.87583 23127.44251 29879.93685 30994.76568 2568.669062 36961.19733 32460.95298 35000.70723 19527.61685 32943.54543 18369.93021 33820.83852 4542.701819 17686.48458 139.444944 O-Enanthyl-L-carnitine 85 834252.084 7098.293052 1486374.16 800075.6542 918340.972 1237344.661 401124.0288 305523.8039 749797.5596 584731.3434 1347981.402 216812.8712 1275616.072 507723.653 729929.81 752751.9185 347573.5068 662217.3701 1687245.305 367034.7028 339205.3288 1499682.998 494320.5175 10255.51656 314810.4189 121727.8789 157083.2298 222636.879 125361.3 228837.5157 300138.1908 6950.904862 253802.354 167514.4048 253877.9147 238471.2438 131625.0006 315033.8862 99530.08049 7383.549459 366251.0363 329464.3643 366481.6195 238850.9331 184677.8636 309983.7192 248457.3641 6084.612876 2123.701203 1422143.679 Guanosine 152 3063.764044 2960.021455 773091.5195 468541.6995 593173.2831 758918.2629 613745.9157 895002.3689 819881.0195 987579.3405 524519.8288 545752.9082 654258.9196 840849.7712 892785.2878 1015362.945 773969.4889 533568.9076 478476.6877 833559.9915 765592.8234 917076.8986 1026490.925 1619.546594 9179.511022 4019.230891 5601.41758 4952.72486 3261.320579 8485.733563 5397.621676 1968.798957 10916.24004 6589.930685 3796.448986 3808.162847 6224.395905 7677.053763 10059.33263 2801.526343 9357.505107 3204.447383 3406.651446 3901.084091 6704.735851 7392.262297 11135.59863 1403.8758 2530.457991 1222.19021 O-Caprylyl-L-carnitine 85 3160.089 46143.91685 293141.133 511389.9342 531588.638 326387.2179 277551.4108 292117.427 180327.0011 268916.84 513569.2095 389469.7657 295612.4904 287524.2742 287744.3625 163706.2599 154897.8037 514111.7686 344706.015 378342.1385 228835.7029 307304.6803 223676.5426 133467.417 76961.34643 50074.906 65456.97739 34635.047 33508.9265 45486.492 38502.9315 148921.5425 61414.9315 57994.3895 53991.7975 24716.164 33791.101 34550.607 50204.98494 148645.5092 75556.72 61828.67004 42807.88503 28903.1255 31284.9325 52689.5405 57939.079 156124.999 76619.0015 5813.6475 O-Pelargonyl-L-carnitine 85 5690.066696 8973.214722 40078.45103 63012.22028 47310.46239 66968.23118 45734.09445 35218.13156 29360.49616 40284.51425 49135.81848 42519.1886 45685.47676 38183.8183 28489.27175 26680.89564 45822.98645 43179.59378 46912.70706 48613.58298 36725.07538 29040.15356 29387.67784 15199.69515 13240.70214 13562.80867 11722.33347 3332.684097 9574.93837 12081.47449 8657.257965 16228.94483 24301.80125 10073.69963 11051.12982 9337.147181 7483.584477 14709.31625 11110.13245 14046.58556 10435.04143 9834.212105 13745.15865 10389.61059 7286.876036 10984.86961 15023.84149 12842.81615 7503.824737 970.9016598 GSH 76 49749.20117 16185.58217 159250375.3 154851659.7 156428070.7 148093288.4 166045918.7 158547719.6 158537158 149061073.6 144561146.7 151335257.5 154113265.8 155066227.2 161162966.2 168399048.2 169654376.9 155905424.4 155006064.1 151982664.7 156412994.9 157829687.6 172921894.2 770768.9834 261784.0933 235101.2129 171633.0253 80545.70873 85934.91633 96957.30956 115531.5207 63539.81369 47152.87349 34671.26956 22338.69007 21568.34485 69629.26882 46794.17119 48575.6452 63983.64876 63057.97184 42767.08657 27968.69298 17791.46425 35421.03889 26287.52381 31025.57098 55416.16993 58019.22145 24479.48291 GSH 290 10373.8876 39684.29931 12161762.2 12290643.69 11747383.23 12151928.97 13344589.79 13423137.87 13049611.87 12483197.71 11430403.86 11776502.51 10541110.17 11938587.85 13370836.48 13601454.42 14138434.31 12710859.32 12338674.43 11725643.72 12696195.79 12247701.72 14368024.29 66948.17599 25805.66894 7820.185047 12803.373 17666.02404 17944.60262 14797.26476 20284.30184 18453.87243 17872.67815 8162.804543 12106.68629 14970.08808 5611.116889 21258.19991 27484.73345 31797.38121 20283.55652 18405.64546 9605.968669 21095.53736 17773.95249 20134.01105 9023.96072 14794.77209 60476.14431 8480.756575 O-Capryl-L-carnitine 85 2854.200529 3761.248783 205370.3734 461812.147 388908.5368 285288.9015 223946.2678 175637.0496 141759.3014 187677.1518 351811.634 312146.8103 246163.9002 205271.3157 169358.6154 135228.0853 202464.145 348904.2693 335529.7645 242761.813 191334.2391 164654.4411 148795.8615 24397.66613 59855.4461 59286.87189 53127.16548 27853.59469 31213.46274 54017.12407 47634.15629 24822.33251 79649.65768 59428.38968 51625.32417 26102.35341 30105.46522 53053.6336 49213.62084 24062.59828 69082.24786 57539.28167 52294.15707 30486.20586 34359.71331 44298.17513 51550.42184 12420.73898 8586.835449 2072.039709 O-Undecyloyl-L-carnitine 85 2677.444666 699.8960373 39007.19802 47234.02271 49290.79112 41863.4782 37446.33176 37717.53328 32175.60963 33868.74461 55407.97966 42777.68004 41694.04314 29302.06419 28684.21098 26709.51392 37985.50076 49391.13562 41377.95644 43564.10261 39965.89508 30230.37106 37236.6432 2968.524742 8452.813106 13297.8341 10517.67236 7690.603939 7404.573771 8361.27843 9656.501962 2590.111194 9274.062229 15359.45174 11489.03597 8794.520765 6604.269048 9028.412317 6774.550953 3890.584042 11755.56051 16038.279 10241.30584 7304.062944 3523.695441 13719.23903 10016.95348 3081.25497 829.271959 1775.452736 Penicillin G 289 POS 1765.293234 3060.916188 390100.1689 624386.6411 333520.17 325674.2793 289597.9658 354549.1847 370750.3696 368180.4165 390961.4272 327560.4439 313832.0161 522094.8841 359751.1407 336987.7466 286970.8373 391779.7313 308959.2391 317382.7832 307373.9143 363869.3154 420879.8002 25240007.46 167323.3749 353690.6226 360093.4895 234635.3875 444365.5193 420475.707 342714.3242 29733588.59 471310.2083 495491.3587 512307.001 476548.9296 465221.022 533004.8715 344258.0356 32420619.96 371302.0137 605437.5416 467514.0331 635028.0815 670862.7892 432302.7713 440366.0962 35049309.31 1776.490434 1775.121743 Fasnall 218 479.9318322 725.8829624 735.2711882 906.1143625 730.9900843 256.2362389 916.0985817 809.6461483 742.1167484 734.6905736 1126.39477 248.709849 1868.547972 501.4039141 682.7633306 804.5586291 498.3661286 454.8093989 1298.489653 475.5629537 735.5908018 1572.907121 441.8040128 426.0490649 1284.062313 1427.255764 1416.28947 446.9493677 1391.005078 719.460065 939.7293833 1210.95288 691.7214401 1677.463406 246.8904654 945.8078055 731.0293603 896.5845038 1993.062327 494.1107259 430.1420604 1183.450101 475.2228861 1423.440914 228.0883197 1433.088763 500.1387037 431.5197688 721.0571116 O-Lauroleoyl-L-carnitine 85 3664.629437 2148.976011 119315.8923 289680.6247 244018.8196 129097.681 137353.798 154851.0273 95297.45652 95595.4469 255616.9567 247911.4914 141413.6452 152140.6273 110222.5583 91321.03903 102844.1926 278689.4291 227120.3421 121050.4059 119160.2015 103659.1423 101034.5645 3462.674246 18157.04019 14222.34024 14673.18269 6132.865592 6174.153596 9817.933979 12510.95893 6671.010969 19860.40814 16220.66638 12591.81221 4796.459445 14990.4151 10487.07172 14010.23709 4594.726627 19116.1479 11210.72688 11359.00999 7025.7327 5211.989667 13792.94395 11888.16445 7958.59202 1292.843739 900.3016781 O-Lauroyl-L-carnitine 85 841.3742023 1623.579366 381194.9919 729648.6324 741030.7892 538688.3478 426004.8874 330195.0073 273111.8691 272703.7822 628479.4193 637350.868 370303.3681 326093.218 341308.43 221903.1532 284399.6176 603954.1149 563813.1098 381239.6364 365489.696 335179.1109 242032.946 6884.255303 14475.75805 12205.13109 13719.14155 8281.479643 8513.06111 11491.20434 14899.54886 8191.215878 20406.94116 13686.56467 13498.06997 8361.551137 10180.54221 12713.76284 14723.81323 7600.545596 18539.49202 11742.78633 13124.94686 7348.029514 9316.659405 16947.80283 17015.28128 6613.432992 935.5639339 1189.320157 O-Tridecyloyl-L-carnitine 85 2267.395367 1682.573684 53236.59637 93761.49511 85593.23025 71337.46844 64508.40733 66477.13064 45929.24391 48415.89869 94905.67224 106919.3218 53834.18642 59445.12268 49021.84116 47231.27392 54201.93016 85184.0194 97962.57189 57617.24511 65380.41663 65482.48861 44689.90137 4806.718213 15719.39582 14514.30192 9847.211327 4428.881203 3631.965187 8462.714363 26499.29485 3288.947432 5551.98334 25309.89055 5508.19758 5909.014505 18443.5374 8880.416029 10889.37264 8474.776773 7626.992274 6718.47849 9723.804001 6402.650064 6669.809196 7209.101543 12356.81611 6031.386929 641.9207639 1041.698232 O-Myristoleoyl-L-carnitine 85 2064.868 3245.580949 510036.935 1357135.349 1182150.261 464527.4247 502343.1261 526794.5665 359171.7688 437333.0769 1348508.238 1203137.31 424459.7603 436054.4628 397585.9583 331759.1946 402388.7071 1351329.342 1023119.732 368582.1524 409620.852 454526.0696 391998.2612 9322.946365 17740.81984 16417.1832 16693.4548 6719.8501 12324.46501 15429.82485 20019.79563 11835.56274 20911.19989 15138.91914 16609.14496 6548.684847 8205.555746 17025.87931 15253.94329 17529.7973 21348.66856 14130.81338 16290.13947 4559.982015 15143.35547 8191.592313 20057.39311 18165.32031 2388.048344 545.639037 O-Myristoyl-L-carnitine 85 1718.439336 1077.25064 2398619.239 4080091.792 4183480.91 3403819.623 3111190.583 2452718.972 1948880.376 2130169.85 4033398.637 3877742.06 3307677.487 2474136.501 2287905.873 1969881.913 2149456.216 3777133.839 4053359.517 3396782.134 2658082.219 2213487.82 2082334.724 8777.156343 18148.14393 14620.90293 16395.5115 18463.87554 16363.3476 19137.7218 22254.63342 11540.67457 18184.29928 16643.98156 20893.64916 20095.14233 18052.63166 17661.24823 21000.01368 11252.25933 18690.92753 15435.42882 16100.52415 19637.70802 19739.51215 22781.1817 23448.22999 9325.356715 1639.175971 716.5975316 TVB-3166 116 1145.765704 403.2470216 7575.863131 5188.885871 10025.7529 9806.617071 5026.059817 5335.260946 4041.986855 3709.852661 4835.370471 5094.447037 8980.140334 6478.124833 2812.553845 8564.337281 4873.59656 3557.797374 6252.54982 7932.467141 8693.298831 10422.46909 6036.778586 1294.703115 208.5397472 414.5507 238.6765241 1024.022581 1348.432283 205.7899879 407.7352219 450.3661704 1285.950394 425.1638508 460.1534381 672.6709439 827.6610519 681.5020328 237.6195004 1361.458557 807.0891758 449.2979691 902.0213631 697.6475768 236.4547411 817.3990115 431.5183503 1109.407196 TVB-3166 342 441.3912608 233.6803937 413.2372483 234.8933812 210.6226889 222.7124121 247.6671122 224.6538568 480.1364751 664.624919 457.6241729 241.9886317 248.1835118 O-Pentadecyloyl-L-carnitine 85 2224.417536 1268.30287 168024.193 305523.0385 254506.6123 202857.8524 195708.7558 190964.2491 145252.5291 152912.906 285730.0631 286174.7226 185436.155 178581.974 175394.3364 158099.2587 165139.7771 279036.0303 269876.4793 185011.4091 174988.9407 182059.3494 176218.6422 3769.336288 1559.677092 2962.949214 3221.569264 1497.718409 1717.953096 4165.35717 2841.640921 5321.495047 4375.185995 2760.588674 2661.270748 5411.413536 2639.756137 3146.652099 1424.481402 6515.943274 4153.183834 1679.087131 2154.380437 2018.330774 1620.125466 2731.969786 2898.096188 2740.268727 338.5079966 1003.620523 Rotenone 213 1998.995339 1149.537302 1531.419443 714.8856119 2763.186464 2970.129193 3898.206001 1948.062088 2118.124888 231.1980073 2532.996979 1770.275867 3216.965892 4127.131209 1873.612446 2615.080669 1876.991687 1159.827352 1852.80917 7135.866044 3511.669283 1250.427647 3447.959093 626.3680662 1814.879905 960.1785712 1576.739567 1017.180063 686.5480668 1004.015254 406.5699054 1846.867753 1182.329457 616.1088941 1446.917552 1301.300018 1217.603848 1015.217309 815.2909607 1216.807725 1112.679989 759.850117 1059.891011 865.0407391 1124.840462 1061.863619 841.900812 208.0739373 1010.344738 820.8056772 O-Palmitoleoyl-L-carnitine 85 1003.452859 356.9848567 1300696.321 2465706.244 2536777.971 1641641.215 1647504.915 1574942.042 1117454.719 1119096.213 2509388.748 2733219.979 1545990.439 1711098.806 1407119.278 1136903.672 1080114.321 2663494.277 2609839.555 1635996.178 1695843.32 1410724.147 1248730.584 12583.5264 8121.893175 7888.740972 13177.15745 15745.29825 7700.349854 8144.196652 18216.14473 9636.739882 13837.93324 14251.70997 9156.052568 12128.291 11862.31074 11562.63812 17175.59035 11721.40411 16577.79748 11695.55023 10625.94389 12817.81312 6466.876543 13475.69147 17442.53963 13525.39011 408.8232963 609.7190698 O-Palmitoyl-L-carnitine 85 565.9844586 3147.387666 6196795.001 9966165.095 9604830.167 7756920.914 7003862.182 7072253.091 6536744.48 5885204.54 9379804.468 9562151.345 7425984.303 6675091.855 6916576.801 6679879.5 6523907.965 8982604.164 8844052.589 7390198.281 6721281.191 6541899.836 6862571.735 18183.07545 61057.03264 43505.22094 53211.06969 69953.74782 57498.83449 63390.37579 71359.29533 11176.28701 75575.77726 45028.86561 48962.39521 65706.69574 66534.23393 62110.55638 39002.71125 17319.89087 72441.17936 44618.58031 47056.21549 59395.72515 73386.70532 64410.86941 81021.34566 23509.26787 2630.032955 1567.73619 O-Acyl(17:1)-L-carnitine 85 4448.689763 1138.271005 62765.19056 108680.8929 108742.3999 60037.45786 64287.90997 66122.39514 54689.52438 61709.30177 105587.3197 110588.5011 58370.41215 62951.0709 66596.30847 65198.47335 64810.41163 108644.2954 103907.0738 56187.81269 70436.31278 64303.83163 63626.71944 1067.784193 938.3047619 1995.636069 368.2611181 1191.316946 600.1315023 1311.129802 1864.913467 2233.341688 1297.031299 1980.945357 1763.484557 2466.847678 2219.5227 451.4839008 3302.894555 1057.978304 2812.10451 3013.343823 1453.884325 1402.022468 1055.981165 2499.660278 3091.005394 493.6844027 780.9499256 451.7237398 O-Margaroyl-L-carnitine 85 818.784059 1470.559749 206297.5327 356811.7984 323935.9161 182267.5792 185739.978 212148.0759 192784.3306 203395.7127 338119.8885 343419.2303 167174.9848 172506.4313 199309.9563 180534.2073 216266.9389 318611.0449 332635.6923 161415.4246 197251.1333 212783.8688 218166.7977 1122.815602 6888.556451 2594.906337 3116.649667 5478.235618 282.0880634 1591.380318 2754.7011 2570.093972 3977.178568 1192.770992 5722.978828 4140.850111 3347.870417 5358.74917 1004.928925 1770.337997 5511.639846 2510.913614 1440.75396 4168.407444 3475.567893 4441.728936 5208.364726 6536.097542 360.7358791 586.5288557 O-Oleoyl-L-carnitine 85 1433.383555 635.4587261 2433327.8 3721207.652 3648648.535 2625520.416 2633228.615 2575371.803 2181880.583 2284240.481 3737581.333 3916986.128 2455091.739 2548964.024 2328424.107 2246357.236 2312803.364 3938988.78 3579724.838 2586182.352 2428825.33 2269713.009 2400538.611 19965.4965 24299.13949 13656.73012 14822.55775 13191.75054 16548.57524 20348.1417 16220.2479 21446.57806 23822.54204 13650.93351 7180.029269 11546.27082 21291.20875 20343.19077 29118.5154 23068.6306 22965.18857 15135.76391 13556.5425 13243.34021 9620.305579 18980.52576 17084.22441 23566.67777 1036.122912 623.6060781 ADP 136 90637.1443 67939.50046 41284989.88 48753748.41 49225365.8 52146138.84 42375623.32 47516144.63 45295980.22 42654173.75 47260527.02 50756465.37 54881899.58 49407291.38 44963359.04 41792746.87 44053155.68 44889710.06 49382394.23 49466874.79 49492452.14 45948424.71 41574496.58 332589.7092 282760.2391 37911.06826 89140.74602 100287.8047 103565.6443 43829.74412 57986.19485 52948.94594 37356.02186 66819.74756 47531.57218 50592.14794 51421.04224 38444.59337 51313.68867 32995.28291 31390.85996 41801.59284 32952.49023 27367.53547 32265.7067 30669.71424 34755.74621 31310.56606 33837.32745 13368.51796 ADP 97 2284.431884 1666204.099 1669004.119 1737778.697 2193010.561 1774105.633 2045433.147 1876853.125 1828712.855 2002105.024 1943699.823 2189251.097 2022114.406 1812901.479 1715835.197 1680351.942 1792468.914 2005771.529 2116222.785 1958509.651 1868085.235 1643442.323 12388.46658 3910.855466 2379.022409 1133.31564 689.2498723 O-Stearoyl-L-carnitine 85 1252.395907 982.0987855 1101951.489 1500440.053 1230467.47 878443.6188 953330.4759 1005606.535 966701.6363 1215898.643 1495189.906 1318339.805 809014.5417 896470.7303 1063747.468 1176371.784 1300806.339 1306120.983 1185674.258 867363.9659 899257.072 1007633.452 1158879.758 6535.007725 13284.85544 5002.807317 10021.66082 12989.2601 3576.770305 13467.0656 15580.3343 10985.41225 11935.5101 3997.992164 3244.012776 6643.115757 8892.714961 5897.931773 11221.67188 18231.18187 4594.590606 6111.091683 9654.326466 7156.282038 11144.5968 13158.98903 16890.73057 9413.292743 381.6810114 502.204151 GSK2194069 344 202.4927275 241.8305816 412.3736263 655.4351557 494.9610964 498.8203088 233.7704193 605.4975393 470.8325348 431.8811822 471.6648195 490.9455213 201.6975903 410.2516674 246.021047 242.3789712 441.681358 472.6870802 638.6301185 202.0228371 403.4658405 VY-3-135 412 4436.170612 1586.945341 17271.27285 20410.17144 7127.192383 9341.228952 9158.736649 6849.19815 11404.45464 11501.22687 15325.98229 10616.34179 4699.628799 21749.18889 7071.970398 12809.123 8959.059372 14407.15025 7133.369519 17210.68871 11419.01263 32984.01145 4435.774714 5069.461123 7946.385483 3947.814069 3667.151562 6753.767245 7423.045237 5458.764725 5228.818653 4840.299234 2279.646967 5103.474942 3594.618188 3959.896632 4098.103213 5437.865409 1846.243646 2559.696247 7648.22655 7049.625495 3775.270521 2538.327515 5744.222574 3459.927422 1071.771726 5016.488944 3418.113183 1086.907778 VY-3-135 355 450.9687748 1313.533472 629.9106927 214.2880484 208.4891565 220.4233266 896.3680897 215.7349789 460.6411773 450.1886247 227.4046994 443.3216711 230.4140425 693.2300381 247.9845414 923.6840966 243.0774204 214.4826971 229.9326462 484.9928908 243.1959141 202.0963848 439.0498881 447.2200827 232.4274293 687.8674558 440.9349282 891.0506962 214.5768594 405.2587741 TVB-2640 412 1009.406187 223.0919819 435.1655048 628.9275183 1040.457071 1107.132756 411.7746819 677.1035115 220.641174 401.1306904 704.3001308 672.0415494 721.731953 1412.633262 1040.281753 487.1747319 235.3182044 413.9878669 441.7523308 644.7683059 720.4310779 704.33405 202.7187488 222.7049142 203.3526152 205.7899879 619.7568567 202.266203 408.8782066 420.2932861 475.2390008 408.282731 455.3166717 202.2349722 459.0909914 202.6643348 457.1210417 TVB-2640 386 205.5748115 211.2398712 Folic 295 1212.314645 1727166.132 61479.59048 88484.51967 72608.51692 64584.6194 67563.45502 58254.55887 65669.74397 46712.64794 53525.67643 50912.13475 62293.16029 83704.26836 57635.16827 80418.59332 51155.33371 65298.37191 69676.0912 94369.81472 66113.71953 100644.0356 89905.26512 330678.4651 521776.0612 548711.6445 511385.7129 579309.5843 594349.2339 562427.8378 524219.4031 362420.5837 470005.4048 584181.6755 458156.4035 526970.7602 557363.9084 511718.2907 478188.3074 371114.1179 538306.3759 589804.8499 662774.3594 487168.4275 618883.603 509489.6217 562717.8745 389653.4582 1704170.764 1486.490141 Doxycycline 321 1018.611512 518.3253371 514.5880917 245.2405873 519.692094 490.9718016 1037.339676 497.419698 263.0202106 523.6763666 260.4140776 1039.640917 260.7491947 526.2361352 257.0600045 517.0715454 254.2906251 771.4916276 754.1740177 258.9986409 254.0868488 253.6509422 256.293135 517.7817691 260.5749573 508.8996511 506.6872458 515.6815428 257.6427285 775.5670789 255.5713217 O-Paullinoyl-L-carnitine 85 707.5653478 366.6391975 218173.3475 217399.6073 208502.572 213637.6304 200419.201 213839.221 210197.3839 213501.7749 207589.4023 214945.3112 193432.979 209839.6362 231432.5542 215769.6455 230139.1868 199446.7509 180532.3986 207589.5614 185758.7637 227114.2446 239429.8925 5031.699154 1599.107192 1296.020062 2056.121737 3020.554838 2869.593139 2269.8149 2658.767358 5500.654073 3182.576537 2107.948668 1732.022779 2693.997339 5124.863984 5667.263909 4788.817771 5480.093719 4829.954251 1799.549455 3057.552979 5651.009283 2150.265337 4570.118736 4388.497264 8835.131784 351.7922844 303.841864 Methotrexate 308 178.4666449 695.717949 1359.456412 1670.029669 804.2179293 821.2187068 766.8232122 1916.170767 1486.832988 3652.228519 2509.583207 1788.448824 1188.280008 1187.433244 448.0551265 2669.308718 793.9144265 1128.228634 953.2173405 714.4162247 3249.240093 768.796785 964.9116637 893.6467813 1425.272746 711.3050387 941.9411739 1417.516646 557.2893783 1617.455281 834.2620418 1613.241665 869.4902449 859.3974398 1501.703349 1388.117453 706.7518697 1668.316999 890.4150936 1595.145166 926.4687526 891.9284691 977.4568315 1238.22614 894.5910933 894.7544788 519.2786247 1928.518189 898.0016586 701.0966439 Methotrexate 134 546.868975 66.9895448 431.8599508 321.1754311 407.0957257 197.2431602 385.3867163 362.7078852 179.9436361 211.4298736 185.3045292 185.8554823 168.3165575 344.7300133 175.9911505 178.8051809 176.5888333 174.0065124 391.9066824 364.3272238 177.0742979 720.8345504 Puro Heavy 121 239.8192497 1440.841472 1833.927209 1850.881075 1912.008747 2658.598189 2523.474502 2247.387104 1462.883011 741.263182 1123.890356 2103.019599 1482.865083 1392.745354 2482.824434 1923.82234 1382.848756 594.1313078 1452.262719 747.2512921 893.4233297 731.5428004 1861.123321 1076.315737 1412.227891 488.614324 485.1999575 1619.571584 487.6464202 1034.03858 202.268418 904.5689535 724.08538 1233.14921 464.7861732 483.9293944 1721.720576 731.6700788 612.9318782 1434.800547 700.0467075 864.7961929 808.3523918 1433.473032 840.5571571 1946.728578 919.1060234 1028.311925 493.5989605 477.2670687 O-Erucioyl-L-carnitine 85 514.7665277 1432.649858 197268.055 187243.2384 156495.3016 139249.5212 179602.6431 178183.9436 186134.662 232675.851 165520.4377 179089.0638 136796.7559 151777.3101 190101.9991 231642.9414 236601.8014 162241.6336 166406.6283 151814.7651 151893.8556 190556.6784 227569.2551 4196.079198 2740.875787 5544.511883 3116.057983 3086.795548 5084.674604 6937.255563 4560.748613 5041.968816 7961.821516 341.5787829 3476.970679 1792.741172 8250.821475 6399.899653 9277.829592 6872.576735 7243.865759 6636.940618 1392.218286 4888.335385 5062.819214 6337.223031 10378.90008 6032.326728 502.8887134 921.1154642 ATP 136 49403.55485 9830.186209 79666405.86 93894412.54 98243574.15 92551114.79 87096854.57 93378003.88 87573532.52 95274141.46 102295441 101401708 97927871.77 90917154.5 91453006.05 89595116.4 92205067.36 101720338.7 102855439.9 96342837.67 89860422.95 85242700.52 85184383.99 526505.0462 333163.5565 158193.4566 164407.7615 54773.37189 103611.0942 72402.43792 57793.68055 49176.25739 59232.70014 27549.79585 35285.15976 39488.70228 43491.56545 25355.95011 24078.73999 19475.50141 42614.05799 15732.7944 27436.75467 26022.33477 22089.28764 24076.56157 11203.93556 12290.05035 7753.975509 17841.27139 ATP 232 2382828.544 3036724.53 3200343.269 3029314.735 2880875.683 3131339.495 2694604.429 3205812.891 3450209.416 3521468.164 3269142.633 3172973.124 3085733.925 2901221.069 2835402.507 3307284.349 3398990.656 3112644.793 2929090.179 2767150.115 2846968.811 5610.418064 4464.702079 143.0428509 VY-7-137 508 8046.799671 2103.81226 48713.53465 27789.52369 31491.75839 29312.19755 35372.27666 36738.77988 53045.59593 43335.79713 26455.87265 37596.38751 36224.7712 32691.84213 44679.32487 63402.53678 52839.10978 22781.97622 25920.72148 26497.16512 36281.3249 47691.8666 39325.17812 9641.808673 3958.269216 1253.940771 4261.531524 4350.003335 5659.295949 9215.11564 7598.491272 10898.43943 6654.661995 3072.82489 1681.18369 7432.459922 3711.787908 5783.043835 5489.238072 12480.46344 3174.194452 4582.944315 6580.829763 5114.395344 7819.097707 3968.188482 4667.132923 18610.39406 877.2388405 1130.198254 VY-7-137 233 1216.543901 234.8030209 472.2312521 412.5072067 469.292589 1412.251502 474.5930631 696.9382657 495.897145 1679.300267 472.636706 1786.293241 1102.670807 879.861069 496.126678 247.126782 230.4140425 698.4857813 1518.606336 912.7040545 461.8430207 613.9530741 439.7682455 230.5529062 203.0580239 459.1145909 204.3975684 229.4069828 645.4792467 219.9672304 NAD+ 524 445.2168089 2475.862969 34974402.18 39649695.56 37004222.4 36278705.91 34838881.5 36382325.56 35081026.92 37206369.25 36132159.22 40036268.12 33361367.5 34455963.16 32511922.99 35592031.39 39365412.14 35097164.76 38155820.34 32907055.66 31619053.82 33325587.82 30943624.87 6658.572214 7726.396444 5197.126526 4280.039181 4731.960571 2994.129641 2211.442154 2413.52403 2422.484152 4706.425758 3957.233095 2659.730008 1725.8009 985.8823756 1857.902077 1144.265956 959.8234233 1402.598757 1527.310022 1195.048001 2395.145395 2774.035504 4575.499836 1332.96626 711.5532304 767.198429 494.2984766 NAD+ 428 307.1959873 48584084.1 47955500.8 52265896.01 46458285.81 46869869.96 46962856.75 41393144.98 45854736.04 46516079.6 48297245.81 41462793.01 42803243.74 42747106.36 44339125.25 48203499.92 48209456.37 46374430.38 42843557.81 43154929.88 42968388.75 38454592.51 8746.726292 8461.82698 5212.828797 2420.677766 3176.638922 1301.05029 2231.979924 2059.983471 1147.768841 1601.470981 2532.548042 201.4761043 1030.518458 496.6747323 1328.286642 734.4720638 205.1410948 3030.022071 600.845941 420.2120657 320.7974839 1955.559002 1229.604052 106.6830164 169.9635481 194.4086214 NADH 649 815.2530522 595.0316199 1268905.837 1581713.132 1437224.353 1772744.36 1535954.399 1893253.018 1734569.261 1504724.792 1622802.198 1538804.215 1606665.262 1352193.734 1475544.76 1597512.599 1489482.387 1327639.664 1730467.705 1913405.192 1713773.318 1707129.765 1642827.081 312.9114599 515.5590405 482.1717034 315.495046 698.6488393 656.5831295 751.6898512 497.7357696 205.5150444 248.3864799 374.7387704 715.6683552 478.6314412 262.5781865 703.5853943 279.7451307 780.8145375 333.3994218 284.1030095 367.4774309 648.3446608 103.4101539 309.6023855 385.6424344 201.9081436 94.1748508 540.4271646 NADH 348 646268.671 762478.9749 689560.8857 804705.3583 706119.5698 839148.7318 762025.1247 637157.689 769419.1235 674180.9128 630101.7009 771492.6033 708253.3815 708200.498 658014.9131 585653.6192 783539.5366 788061.9667 792601.9613 787711.1204 717479.6204 201.1785645 209.2849026 95.9345392 199.3826549 Methylcobalamin 147 212.0935573 304.1634991 725.6489486 1056.339155 1076.72548 1085.905014 971.9903314 667.8443697 1269.402207 809.1749275 928.7235638 327.4551311 824.6368182 1377.647874 973.0062751 1301.996998 1180.837212 1269.337674 532.0814463 864.4636325 435.3302806 825.0803989 982.9685992 42.21005467 10.17270511 94.37452615 55.04241331 49.2304199 30.03367913 45.31792639 36.54711572 101.4038199 110.4870284 134.3249708 147.8189803 80.11476962 93.1840182 122.9769686 224.4203622 101.4803894 66.5620836 66.53421791 110.6512466 70.75068043 47.67611053 95.11897159 46.62918562 89.38273289 139.5939038 84.03310194 Methylcobalamin 636 Cyanocobalamin 147 320.1631491 1184019.702 6574.566113 3528.710395 7457.807506 5303.709573 3629.734428 3269.325415 2322.394682 5206.616554 4727.374138 4943.869368 3812.707845 4719.172336 4181.424649 5853.874256 6931.530759 2659.133956 1350.805093 5418.461964 6082.890156 4899.621726 6316.532974 5463.088787 4639.101995 7504.60841 3994.525832 6059.234524 4342.240757 5386.501974 5030.368814 5923.610968 2849.292789 6452.174857 7597.041136 5570.727005 4471.091252 4425.133021 5200.142496 7871.528278 7002.436647 2123.396023 4628.180454 3576.123421 6662.569448 2754.699773 7402.168607 6255.476981 1072870.716 229.085786 Cyanocobalamin 457 139836.8265 124.406885 110.5481665 61.74551167 104.2940395 187.6258185 34.41537065 117.9790642 160.2439597 113.1123317 59.23177182 161.8127911 7.524384875 153.4487051 93.04770956 203.1002739 75.38666051 295.9736966 19.4438543 101.5567265 445.8504164 7.164991711 110.0328951 12.92127248 225.9137366 56.20625669 161.3683994 180.3187814 27.94878463 51.40996097 41.10504093 25.06437709 59.28954437 170.8284466 72.16554921 443.6441353 76037.61423 Adenosylcobalamin 147 305.7857277 264.771173 572.9399952 1193.128704 446.9289247 1320.427001 1457.223554 1066.145196 1611.710486 607.1279805 908.8166203 1168.429449 926.0284956 525.7913857 833.8131838 577.7100619 633.8167047 1191.673581 624.3512919 562.3492057 843.5087782 845.5333208 1015.515784 74.07515506 249.1454454 263.9327873 88.25888404 223.1984411 140.3944721 375.6483268 346.1441587 269.6083829 455.4825173 475.2976212 628.6447656 175.9809566 285.8728867 283.275322 271.0434159 872.2184339 342.7016643 260.6234351 76.39271568 75.93122632 136.6397366 409.1521244 57.07380825 125.219055 Adenosylcobalamin 341 67.39850361 75.9146708 76.91384473 223.5153605 Formyl-CoA 428 525.0967173 201.4888186 7404.637538 12850.70478 8111.217795 6295.210478 5620.328731 10927.89924 9367.157837 9965.418001 15280.22428 10798.21428 9139.19152 7137.719939 11536.47484 7371.113108 11412.54223 11356.06591 10017.28277 8848.64878 5586.275978 6956.776659 3575.26544 101.6815681 214.2679878 109.4568561 631.4282366 215.9896277 210.986044 206.1935336 494.1668737 620.346522 419.0174942 273.5745408 648.7451085 410.0228539 511.964299 968.1372151 683.3903152 977.474394 602.9179583 585.8288503 559.2178902 812.7081995 106.6480083 521.649696 107.2057583 Acetyl-CoA 303 163.4164686 181.2654483 4259958.795 5583668.347 5704247.824 5399199.452 5279646.91 5408847.296 6068743.829 6352992.529 6379892.214 5908266.988 4659173.515 4969968.388 5699250.168 5542117.554 6026183.029 6322444.274 5716594.998 5935804.949 5073461.969 5414058.133 5441103.409 2192.185556 1541.299529 277.6966023 755.8394426 566.3333979 675.5007909 745.0948842 497.4957734 590.4188143 766.6880867 1102.583463 659.2773798 952.3005918 566.4639842 636.4520829 469.8220068 499.259785 345.8742102 768.7642446 416.0066835 681.3230731 254.2090136 81.32134298 95.71852664 162.2339196 306.0480908 Acetyl-CoA 428 633097.0448 748019.0784 798938.9974 681110.831 668987.3484 785091.3158 780890.7966 763414.7335 826025.7299 787577.8705 711902.9601 647154.2972 791570.3116 756725.009 923544.3164 854348.4322 882536.8497 632607.8683 648901.7699 792001.5508 651877.9716 422.5324825 175.6599843 171.9599879 87.13774192 191.6172165 90.20779793 95.66459385 171.9415687 85.53690733 85.4865153 346.3761478 157.5367991 94.83506122 169.6486573 375.4444397 427.2778856 84.64848131 250.3469394 85.60117691 Malonyl-CoA 303 123.0888583 232.7953354 101248.8584 108849.6537 107348.0552 111747.2338 111063.3599 111204.4175 102543.4468 113618.4986 112529.7017 115374.2048 104763.7503 103840.1062 119459.4455 116854.1402 113507.6641 119952.7994 116787.9486 93818.47189 97445.19663 124335.729 107051.8189 220.6332487 73.37780707 164.1364399 170.2146671 252.126916 271.9887864 172.9672949 317.1885962 200.596944 345.4114816 261.8113026 443.9868124 390.6819393 610.3330486 393.4706961 445.3945317 610.5891476 376.216441 797.3868832 676.0373362 82.4127941 80.55930936 40.01097609 41.19976726 114.584106 34.18032408 Malonyl-CoA 428 73355.86446 98795.78744 91169.15917 92909.58398 88766.43941 94207.31199 94191.83786 101917.8257 93482.24455 93667.43628 90028.34571 93062.69653 93632.58437 87493.86285 89720.92652 85549.11003 101166.4782 82942.54148 83001.01773 100818.3457 81240.57405 44.1106291 37.58309502 41.45798356 78.69803166 37.78164485 37.89936371 149.0766445 200.4263427 237.4536848 120.5943588 81.79829074 234.3370328 155.6504849 308.9979972 543.3878111 Myristoyl-CoA 428 101.3558409 106724.5112 155590.0811 139436.4925 186320.6728 150279.2973 117338.4612 57428.77039 136238.5467 149902.2704 165152.8811 151557.7877 131462.3474 128332.4742 108676.8799 141572.5683 171030.4503 151263.7533 163588.8363 151439.8677 106453.9508 98211.01514 104.9400842 105.5550976 102.55475 654.0102747 101.2107817 103.7125988 103.4103296 107.6108058 103.3760151 102.001791 203.4529468 103.3261659 Alanine 44 300705.4899 5691401.806 88753440.37 107353621.6 111188710.2 114635022.4 101428871.1 95151540.01 82260994.51 82235608.22 106549052.3 108169001.1 112581582.3 99927272.67 89173968.24 79019951.57 86360966.74 104560283.5 108025669.9 106446096.9 96762346.79 87682512.9 83366481.18 986269.887 15485195.08 16970566.99 18260757.39 25385400 21855855.56 19058503.36 17440619.63 1065300.866 15153730.95 18316992.64 19016426.33 24074522.7 21591579.09 20179113.68 16836792.04 1061230.981 14480709.14 17983681.83 20696413.45 23994534.89 23243573.83 18332346.38 18073669.35 998687.9895 6387106.164 9827.31518 Alanine 30 76479.46709 19283.92383 934218.1372 992825.3853 939205.4068 1134155.396 932935.4806 1030711.458 868630.8645 920040.4729 901390.8476 975527.5915 1086582.505 960782.1703 918008.4561 892252.2272 963846.5093 943060.3279 988197.205 1107792.171 930428.4289 937937.9297 1012814.02 1023.345005 45031.74931 45933.99365 48442.42284 56563.05872 49381.41824 50493.24206 50539.84664 6049.118915 40324.39768 44215.12543 44825.96716 60345.04367 58375.16703 54122.52478 42876.6956 8348.451314 36434.55924 33425.7028 52388.42843 61223.1886 59663.3717 56255.68385 49138.50945 4682.192209 18616.30098 313.3036866 Beta-Alanine 30 76479.46709 19283.92383 239165.3275 314488.1405 278552.9655 322900.3834 292679.5259 236675.5387 193211.2686 251061.8525 256625.9099 267535.7634 325171.2537 283140.8877 220122.5509 202974.1345 199280.2903 287512.1919 287851.2669 279859.9948 273059.1706 245190.9484 215551.9893 1023.345005 2316.414891 5396.337381 5172.502203 9405.017365 6476.348996 5282.464412 4511.711476 116.4284713 3101.176509 5004.682819 6534.704628 5540.026307 2723.551965 7735.5239 3833.491635 8348.451314 4285.155412 2980.004582 3025.645377 4210.86085 8729.793109 2401.973291 4998.377054 4682.192209 18616.30098 metabolite_name compound group name expected retention time retention time transition pubchem id kegg id regno Urea 44 Urea 4.13 4.09 61.0 / 44.0 1176 C00086 37188 Ethanolamine 44 Ethanolamine 11.84 11.73 62.1 / 44.0 700 C00189 37102 Ethanolamine 29 Ethanolamine 11.84 11.71 62.1 / 29.0 700 C00189 37102 Glycine PAR POS Glycine 6.98 6.93 76.0 / 76.0 750 C00037 37085 Alanine PAR POS Alanine 6.42 6.38 90.1 / 90.1 5950 C00041 37109 Sarcosine 44 Sarcosine 5.9 5.95 90.1 / 44.0 1088 C00213 37173 Sarcosine 30 Sarcosine 5.9 5.95 90.1 / 30.0 1088 C00213 37173 GABA 87 GABA 6.75 6.73 104.1 / 87.0 119 C00334 1864 Choline 60 Choline 9.8 10.13 104.1 / 60.1 305 C00114 37073 Serine 60 Serine 7 6.99 106.1 / 60.0 5951 C00065 37123 Uracil 70 Uracil 2.8 2.54 113.0 / 70.0 1174 C00106 37192 Proline 70 Proline 5.22 5.2 116.1 / 70.1 145742 C00148 37110 Valine 72 Valine 5.06 5.02 118.1 / 72.0 6287 C00183 37484 Valine 55 Valine 5.06 5.03 118.1 / 55.0 6287 C00183 37484 Threonine 74 POS Threonine 6.25 6.17 120.1 / 74.1 6288 C00188 37113 Threonine 102 Threonine 6.25 6.17 120.1 / 102.1 6288 C00188 37113 Cysteine PAR POS Cysteine 6.22 6.14 122.0 / 122.0 5862 C00097 37316 Cysteine 76 Cysteine 6.22 6.15 122.0 / 76.0 5862 C00097 37316 Niaciamide 80 Niaciamide 2.7 2.55 123.1 / 80.0 936 C00153 37778 Niaciamide 106 Niaciamide 2.7 2.75 123.1 / 106.0 936 C00153 37778 Thymine 84 Thymine 2.48 2.77 127.1 / 84.0 1135 C00178 37168 Pyroglutamic 84 Pyroglutamic 3.7 3.7 130.0 / 84.0 7405 C01879 37171 Citraconic 113 Citraconic 3.15 2.86 131.0 / 113.0 643798 C02226 2018 4-Hydroxyproline 68 4-Hydroxyproline 6.18 6.22 132.1 / 68.0 5810 C01157 38814 Isoleucine 69 Isoleucine 4.44 4.4 132.1 / 69.1 6306 C00407 1871 Leucine 86 Leucine 4.1 4.17 132.1 / 86.1 6106 C00123 42493 Dimethylmalonate 101 Dimethylmalonate 1.58 1.58 133.0 / 101.0 7943 125983 Asparagine 87 Asparagine 6.68 6.72 133.1 / 87.1 6267 C00152 37114 Ornithine 70 Ornithine 11.6 11.62 133.1 / 70.1 6262 C00077 37139 Adenine 119 Adenine 3.3 3.32 136.1 / 119.0 190 C00147 37038 pABA 120 pABA 3.88 3.54 138.1 / 120.0 978 C00568 37770 Glutamine 84 Glutamine 6.58 6.59 147.1 / 84.0 5961 C00064 37346 Glutamine 130 Glutamine 6.58 6.59 147.1 / 130.1 5961 C00064 37346 Lysine 84 Lysine 12.12 12.3 147.1 / 84.1 5962 C00047 37121 Methionine 104 Methionine 4.61 4.59 150.1 / 104.0 6137 C00073 37371 Methionine 61 Methionine 4.61 4.6 150.1 / 61.0 6137 C00073 37371 Guanine 135 Guanine 4.96 4.99 152.1 / 135.0 135398634 C00242 37093 Histidine 110 POS Histidine 8 8.37 156.1 / 110.1 6274 C00135 37119 Histidine 83 Histidine 8 6.93 156.1 / 83.1 6274 C00135 37119 Carnitine 85 Carnitine 5.46 5.42 162.1 / 85.0 10917 C00318 42914 Carnitine 102 Carnitine 5.46 5.42 162.1 / 102.0 10917 C00318 42914 Pyridoxine 152 Pyridoxine 2.72 2.69 170.1 / 152.1 1054 C00314 37154 Pyridoxine 134 Pyridoxine 2.72 2.68 170.1 / 134.1 1054 C00314 37154 Citrulline 70 Citrulline 7.05 7.06 176.1 / 70.1 9750 C00327 37494 Citrulline 113 Citrulline 7.05 7.06 176.1 / 113.1 9750 C00327 37494 Tyrosine 136 Tyrosine 5.63 5.54 182.1 / 136.1 6057 C00082 37107 Tyrosine 123 Tyrosine 5.63 5.54 182.1 / 91.1 6057 C00082 37107 O-Formyl-L-carnitine 145 O-Formyl-L-carnitine 4.7 4.71 190.1 / 145.0 O-Acetyl-L-carnitine 85 O-Acetyl-L-carnitine 4.19 4.13 204.1 / 85.0 7045767 C02571 49952 O-Acetyl-L-carnitine 145 O-Acetyl-L-carnitine 4.19 4.13 204.1 / 145.0 7045767 C02571 49952 Tryptophan 146 Tryptophan 4.69 4.71 205.1 / 146.1 6305 C00078 37505 Tryptophan 118 Tryptophan 4.69 4.71 205.1 / 118.1 6305 C00078 37505 O-Propionyl-L-carnitine 85 O-Propionyl-L-carnitine 3.6 3.48 218.1 / 85.0 188824 4485 Pantothenic 202 Pantothenic 2.8 2.71 220.1 / 202.1 6613 C00864 49832 Cerulenin 207 Cerulenin (contaminated signal) 1.55 1.56 224.1 / 207.0 5282054 C12058 43276 Cerulenin 89 Cerulenin (contaminated signal) 1.55 1.56 224.1 / 89.0 5282054 C12058 43276 O-Butyryl-L-carnitine 85 O-Butyryl-L-carnitine 3 2.92 232.2 / 85.0 213144 C02862 4483 Thymidine 127 Thymidine 2.83 2.56 243.1 / 127.0 5789 C00214 37175 Cytidine 112 Cytidine 4.8 4.81 244.1 / 112.0 6175 C00475 37069 Biotin 227 Biotin 2.86 2.83 245.1 / 227.1 171548 C00120 37035 O-Valeryl-L-carnitine 85 O-Valeryl-L-carnitine 2.9 2.63 246.2 / 85.0 16226475 42216 O-Caproyl-L-carnitine 85 O-Caproyl-L-carnitine 3.7 3.68 260.2 / 85.0 3246938 4481 Thiamine 122 Thiamine 10.22 10.32 265.1 / 122.1 1130 C00378 37152 Inosine 137 Inosine 4.29 4.32 269.1 / 137.0 135398641 C00294 37130 O-Enanthyl-L-carnitine 85 O-Enanthyl-L-carnitine 2.25 2.17 274.2 / 85.0 129661765 Guanosine 152 Guanosine 5.26 5.28 284.1 / 152.0 135398635 C00387 37094 O-Caprylyl-L-carnitine 85 O-Caprylyl-L-carnitine 2 1.67 288.2 / 85.0 11953814 C02838 4482 O-Pelargonyl-L-carnitine 85 O-Pelargonyl-L-carnitine 1.51 1.67 302.2 / 85.0 145722200 GSH 76 L-Glutathione reduced 6.15 6.14 308.1 / 76.0 124886 C00051 37087 GSH 290 L-Glutathione reduced 6.15 6.16 308.1 / 290.0 124886 C00051 37087 O-Capryl-L-carnitine 85 O-Capryl-L-carnitine 1.56 1.66 316.2 / 85.0 11953821 C03299 4486 O-Undecyloyl-L-carnitine 85 O-Undecyloyl-L-carnitine 1.55 1.7 330.3 / 85.0 129884376 Penicillin G 289 POS Penicillin G 2.7 2.58 335.1 / 289.0 5904 C05551 43291 Fasnall 218 Fasnall 1.98 1.79 339.2 / 218.1 16230362 O-Lauroleoyl-L-carnitine 85 O-Lauroleoyl-L-carnitine 2 1.65 342.3 / 85.0 88861956 O-Lauroyl-L-carnitine 85 O-Lauroyl-L-carnitine 2 1.66 344.3 / 85.0 168381 38095 O-Tridecyloyl-L-carnitine 85 O-Tridecyloyl-L-carnitine 2 1.64 358.3 / 85.0 3072472 O-Myristoleoyl-L-carnitine 85 O-Myristoleoyl-L-carnitine 2 1.61 370.3 / 85.0 129691961 O-Myristoyl-L-carnitine 85 O-Myristoyl-L-carnitine 2 1.61 372.3 / 85.0 53477791 38728 TVB-3166 116 TVB-3166 1.5 1.65 385.2 / 116.0 72947731 TVB-3166 342 TVB-3166 1.5 1.61 385.2 / 342.0 72947731 O-Pentadecyloyl-L-carnitine 85 O-Pentadecyloyl-L-carnitine 2 1.61 386.3 / 85.0 88333694 Rotenone 213 Rotenone 1.4 1.49 395.1 / 213.0 6758 C07593 22653 O-Palmitoleoyl-L-carnitine 85 O-Palmitoleoyl-L-carnitine 2 1.58 398.3 / 85.0 156908005 O-Palmitoyl-L-carnitine 85 O-Palmitoyl-L-carnitine 2 1.58 400.3 / 85.0 11953816 C02990 4484 O-Acyl(17:1)-L-carnitine 85 O-Acyl(17:1)-L-carnitine 2 1.58 412.3 / 85.0 O-Margaroyl-L-carnitine 85 O-Margaroyl-L-carnitine 2 1.58 414.4 / 85.0 168310572 O-Oleoyl-L-carnitine 85 O-Oleoyl-L-carnitine 2 1.55 426.4 / 85.0 46907933 38727 ADP 136 ADP 7.42 7.37 428.0 / 136.0 6022 C00008 37737 ADP 97 ADP 7.42 7.37 428.0 / 97.0 6022 C00008 37737 O-Stearoyl-L-carnitine 85 O-Stearoyl-L-carnitine 2 1.55 428.4 / 85.0 52922056 4488 GSK2194069 344 GSK2194069 1.58 1.58 429.2 / 344.1 67376285 VY-3-135 412 VY-3-135 1.56 1.53 430.2 / 412.0 VY-3-135 355 VY-3-135 1.56 1.58 430.2 / 355.0 TVB-2640 412 TVB-2640 1.45 1.49 440.2 / 412.0 66548316 TVB-2640 386 TVB-2640 1.45 1.44 440.2 / 386.0 66548316 Folic 295 Folic 7.88 7.78 442.1 / 295.0 135398658 C00504 37083 Doxycycline 321 Doxycycline 2.57 2.56 445.2 / 321.0 54671203 C06973 21328 O-Paullinoyl-L-carnitine 85 O-Paullinoyl-L-carnitine 2 1.56 454.4 / 85.0 71464507 66262 Methotrexate 308 Methotrexate 4.77 4.7 455.2 / 308.0 126941 C01937 42898 Methotrexate 134 Methotrexate 4.77 4.69 455.2 / 134.0 126941 C01937 42898 Puro Heavy 121 Puro Heavy 1.69 1.47 472.2 / 121.1 439530 C01610 51097 O-Erucioyl-L-carnitine 85 O-Erucioyl-L-carnitine 2 1.54 482.4 / 85.0 6441570 ATP 136 ATP 8.16 8.16 508.0 / 136.0 5957 C00002 37298 ATP 232 ATP 8.16 8.12 508.0 / 232.0 5957 C00002 37298 VY-7-137 508 VY-7-137 1.45 1.56 526.2 / 508.0 VY-7-137 233 VY-7-137 1.45 1.65 526.2 / 233.0 NAD+ 524 NAD+ 6.2 6.12 664.1 / 524.0 5892 C00006 71883 NAD+ 428 NAD+ 6.2 6.12 664.1 / 428.0 5892 C00006 71883 NADH 649 NADH 6.12 5.98 666.1 / 649.0 439153 C00004 42581 NADH 348 NADH 6.12 5.97 666.1 / 348.0 439153 C00004 42581 Methylcobalamin 147 Methylcobalamin (Vitamin B12) charge 2 8.9 9.04 672.8 / 147.1 123134034 C06410 49959 Methylcobalamin 636 Methylcobalamin (Vitamin B12) charge 2 8.9 672.8 / 635.8 123134034 C06410 49959 Cyanocobalamin 147 Cyanocobalamin (Vitamin B12) charge 2 4.2 4.34 678.3 / 147.1 5311498 C02823 49959 Cyanocobalamin 457 Cyanocobalamin (Vitamin B12) charge 2 4.2 4.35 678.3 / 456.8 5311498 C02823 49959 Adenosylcobalamin 147 Adenosylcobalamin (Vitamin B12) charge 2 5 4.84 790.3 / 147.1 70678541 C00194 121148 Adenosylcobalamin 341 Adenosylcobalamin (Vitamin B12) charge 2 5 4.83 790.3 / 341.1 70678541 C00194 121148 Formyl-CoA 428 Formyl-CoA 6.22 6.23 796.1 / 428.0 3082032 C00798 50136 Acetyl-CoA 303 Acetyl-CoA 5.75 5.56 810.1 / 303.0 444493 C00024 50043 Acetyl-CoA 428 Acetyl-CoA 5.75 5.58 810.1 / 428.0 444493 C00024 50043 Malonyl-CoA 303 Malonyl-CoA 8.1 7.9 854.1 / 303.0 644066 C00083 50143 Malonyl-CoA 428 Malonyl-CoA 8.1 7.89 854.1 / 428.0 644066 C00083 50143 Myristoyl-CoA 428 Myristoyl-CoA 2.76 2.79 978.3 / 428.0 11966124 C02593 37846 Alanine 44 Alanine 6.42 6.37 90.1 / 44.0 5950 C00041 37109 Alanine 30 Alanine 6.42 6.34 90.1 / 30.0 5950 C00041 37109 Beta-Alanine 30 Beta-Alanine 6.65 6.72 90.1 / 30.0 239 C00099 37049