metabolite_name HeLa-veh-20min-01 HeLa-veh-20min-02 HeLa-veh-20min-03 HeLa-veh-60min-01 HeLa-veh-60min-02 HeLa-veh-60min-03 HeLa-wnt-20min-01 HeLa-wnt-20min-02 HeLa-wnt-20min-03 HeLa-wnt-60min-01 HeLa-wnt-60min-02 HeLa-wnt-60min-03 triflate 740000000.00 805000000.00 831000000.00 812000000.00 910000000.00 892000000.00 770000000.00 901000000.00 762000000.00 841000000.00 914000000.00 921000000.00 lactate 465471684.50 349942922.10 328189913.30 475612867.90 568416161.30 413571261.60 641570260.80 632609947.10 519300318.50 862498044.30 748949225.60 736625318.10 fumarate 24629725.88 20331506.88 24865391.20 20630026.81 22945642.06 20852399.05 21487294.58 27471617.33 24124864.97 22011334.55 25497366.03 24419215.41 succinate 130747846.60 97217647.54 92682634.18 101729533.70 173989117.10 151815362.20 127570449.00 125460533.40 123345534.10 114932577.10 182406194.70 177110035.50 taurine 1360896715.00 1502464711.00 1567806074.00 1513374766.00 1622229947.00 1600479234.00 1082215455.00 1567806074.00 1437133262.00 1317417595.00 1567813510.00 1709356722.00 L-aspartic acid 990743687.50 1078233244.00 1119481492.00 675423925.40 700715877.20 688486272.90 856165464.50 1099379779.00 1020833631.00 538504030.60 651481918.50 672474931.20 malate 383206489.90 383263569.20 404208962.10 314789741.80 368699431.10 330111181.30 351751952.90 467779006.30 424853546.60 349746225.80 390266988.80 420396338.30 phosphorylethanolamine 254062.34 0.00 202187.80 337189.74 434398.32 0.00 0.00 312894.15 254053.16 0.00 316472.43 430953.71 L-glutamine 7952017809.00 7705355281.00 7780151300.00 8230255514.00 9184237561.00 8177202660.00 8294744527.00 9817027957.00 8659332452.00 10438598525.00 10449178560.00 11146143176.00 L-glutamic acid 1990484737.00 2150743537.00 2236545608.00 2022523974.00 2150898811.00 2043757491.00 1776237224.00 2354101619.00 2172210544.00 1808384462.00 2086850961.00 2236363576.00 hydroxyglutaric acid 267009905.00 231827574.00 167711830.60 235036869.30 394176033.90 258491442.50 892916969.30 605649188.40 442235634.00 928292858.80 618532992.10 629200776.40 L-methionine 539642664.40 494753120.50 493628057.30 544080147.20 654060157.50 559824755.80 555224070.40 674185755.70 572062357.20 758389743.30 747057509.50 800916174.30 L-histidine 472586051.40 447668013.10 456314802.50 483407142.20 583187330.30 527901095.50 495315383.70 589652615.90 512853841.30 664399528.50 661289325.10 690440729.10 uric acid 5207647.46 5336144.04 5855744.39 6582196.89 10308648.80 6833687.47 9592052.54 11510121.86 9863786.90 17211397.18 14306973.90 12585834.19 fructose 86213604.17 75077616.09 54019029.99 85048116.65 102875257.20 62047365.55 111456358.10 90108051.71 118948545.00 147193782.20 124965400.80 141579393.80 glucose 1893878316.00 1414664675.00 911642452.20 1668181732.00 2157122336.00 1467065997.00 2299881360.00 1666992885.00 2266179440.00 2685140358.00 2647655800.00 2739989474.00 L-tyrosine 1013709129.00 976676585.70 960323275.90 1032415496.00 1203033967.00 1052081070.00 1093693621.00 1281179572.00 1125156745.00 1381888265.00 1381678187.00 1425729975.00 sorbitol / mannitol 603058604.80 555585970.40 521731053.00 605973221.50 756149805.10 634986462.60 769542839.20 859701709.40 691718415.90 1046100448.00 938061615.70 983158051.80 L-homocysteic acid 2279495.80 2126437.09 1615921.22 1788351.78 2540470.48 2514127.06 1907229.12 2572506.36 2329962.26 3099108.58 2256823.77 2513987.01 phospho-serine 1445496.20 2134612.65 2181988.53 1086470.97 3099509.94 3225953.63 817097.37 2481345.76 1911422.60 1419301.57 3642341.97 3952373.07 3-phosphogylcerate/2-phosphogylcerate 1106903.42 1235810.87 1696807.23 2159545.67 1733450.82 1358932.49 1149342.47 1492051.49 1530212.04 1903012.67 2095766.55 2547902.15 citrate/isocitrate 60107763.09 52198995.61 50120819.22 62099004.60 71467926.55 57236074.87 80742943.41 83420744.88 69827494.23 109695994.70 92512834.62 92124191.02 L-tryptophan 435148922.10 414615796.50 418138470.90 436366129.80 525405552.80 454567585.60 464858270.30 564065801.60 481652477.00 602752793.00 581302726.50 647209240.30 phosphocreatine 42865666.36 47440728.30 49674791.41 48660448.68 51284748.28 56510839.17 34821640.40 50236743.39 48413688.39 42201814.40 56344951.02 58343429.40 hexose-phosphate 26981932.67 28069199.16 30303621.99 22457414.64 26091447.64 27734477.78 25193448.20 33721791.51 31731912.78 25686460.39 25740437.59 27434879.92 6-phosphogluconic-acid 29870869.29 32183725.87 34713340.77 28065942.24 30887825.49 30479783.29 24475320.84 36545997.07 31363338.21 24632886.42 33187328.27 32287842.42 stearic-acid 967922517.20 1095968292.00 866606029.90 848457975.40 916034550.90 875745055.60 1418110853.00 985739337.80 1217293922.00 1132728865.00 1234208329.00 1122359161.00 sedoheptulose-7-phosphate 4343106.93 4115131.29 4551810.71 3590984.56 4703504.18 4526368.90 2268079.01 3261800.03 4460505.93 3486980.66 5201243.32 5003516.91 AMP 3714878.89 4582435.46 5956481.05 2828924.90 3041572.52 3966032.75 4005831.69 5210837.74 5019212.60 3115494.37 3868421.07 5052141.50 CDP 1780291.43 2043537.84 2540928.19 3350232.09 2154660.03 1050258.41 1992878.87 4078107.19 3682196.48 2745215.33 1270664.57 4281497.64 ADP 29385384.68 31862779.46 38442741.70 39657453.70 28986836.13 30011666.53 26080832.45 49762819.88 40052150.95 38949993.08 32720946.52 52722763.56 folic acid 6832099.66 3589660.54 3307636.19 4068147.80 7785078.43 3355414.76 11467511.80 10756566.60 9239413.69 13646616.85 10423897.59 12784013.32 CTP 6049157.27 6894897.98 6627646.11 7045479.55 7576682.04 7346781.51 5035903.13 5791218.74 6272548.68 5073465.14 6939643.78 7418419.54 UTP 9166883.26 9696403.64 10312794.51 8457644.17 10900548.18 7875746.36 5759762.57 10055171.21 9260827.38 7993299.96 9410444.97 9026463.42 UDP-N-acetyl-glucosamine 27886945.89 29671839.71 32805995.53 21706971.12 24371328.20 22516273.17 18835555.14 33090221.70 29158122.58 20817167.18 24852112.12 27766513.03 dihydroxyacetone-phosphate 0.00 639526.80 972524.86 0.00 539834.31 401060.05 315081.95 327083.91 353518.14 391157.42 1276032.27 1444649.63 ribose-5-phosphate 0.00 0.00 0.00 766178.21 347083.41 0.00 0.00 0.00 1105984.89 0.00 0.00 272091.73 glycine 46174901.40 42562094.19 42562094.19 45756827.65 47714890.10 43798765.21 39367360.73 48546337.06 45251896.75 46383490.08 49276689.39 57724765.70 choline 160470702.20 142428964.10 139258317.90 153050489.60 222098888.40 173265523.80 223212325.70 238065819.70 183901258.60 310386215.40 288002052.00 271074467.70 L-serine 106203698.00 107651476.80 105933420.40 114983549.40 126181325.50 116424903.70 108346063.40 134168990.00 110756498.00 135841901.90 143487957.80 150139701.90 hypotaurine 29534180.22 31272257.06 31381403.63 29751845.61 34962690.20 29321534.07 19324629.30 29968031.00 26820258.77 21495935.96 30297068.96 33003861.27 creatinine 502895524.90 468988271.10 639507602.40 416075933.90 614078315.10 488048705.20 739069512.40 1001614336.00 624688457.90 929632339.70 429856665.60 658531136.00 L-proline 413265059.00 435646745.20 471930084.40 437806072.90 474042811.30 460141158.40 342939259.70 475040923.90 446291931.30 401557684.30 452659237.70 522973386.70 L-valine 1000463511.00 926078255.60 915206544.20 989961002.30 1171998406.00 1031746208.00 1065533849.00 1182845132.00 1065522398.00 1321287375.00 1299997808.00 1342888878.00 L-threonine 435248082.80 418339062.00 426793572.40 454261366.40 499678606.30 446884740.80 447873659.00 512374419.30 456360946.60 550363526.70 551464823.80 579935583.30 hydroxyproline 36304301.53 38435651.36 38751168.86 38205422.59 43009572.02 41201110.26 36732531.52 43882724.61 43444770.41 45467740.33 47936009.50 52422727.16 L-leucine/ L-isoleucine 3892796517.00 3391050644.00 3448852388.00 4053481791.00 4585452180.00 3945297773.00 4000974474.00 4206182929.00 4217409169.00 4847339257.00 4967824156.00 5126420746.00 L-asparagine 6361748.00 6954437.29 6851964.07 5245569.29 5314450.40 4042257.06 5456829.43 6600288.47 5928564.34 4359436.29 4938826.17 5149827.08 ornithine 3670117.80 3255465.02 3120761.71 3634626.72 4771862.99 3334829.00 4876080.94 5442148.94 4008931.09 6324322.92 6016833.40 5653037.63 L-lysine 187990470.20 149966322.30 134403920.40 171108840.20 239135306.40 188342315.10 264457520.70 262766021.30 213816837.60 343633693.80 321427504.80 290825552.50 carnitine 399489951.90 431003734.50 452918768.60 375412704.80 416826469.70 384165246.90 333967195.50 480208157.40 432195786.20 356805624.20 352462493.50 446429639.00 pyridoxine 310859602.90 233533779.20 234852160.90 288804055.20 392466102.70 297686624.00 496940372.80 464095530.10 394586973.20 639494077.20 444836801.80 528160770.40 methyl-histidine 22785417.59 20479129.09 23561733.88 24413974.17 27985830.50 25651648.42 25832840.85 32172177.07 26943341.32 32286146.53 32555297.15 36719644.89 L-arginine 274400622.60 216663039.00 204690502.30 260171683.80 350588165.90 278731062.20 379999174.50 375639556.50 327683758.60 511755434.20 462722497.40 445429917.30 citrulline 10469193.99 8658708.02 9151001.18 9844937.44 12128741.41 9673183.57 10970427.58 14312543.30 11709556.61 13668902.58 14012387.12 15846774.96 phospho-choline 621891689.90 670214485.40 687526125.70 686232541.80 702295529.40 646770659.30 524517554.40 759041005.50 653129350.20 591004120.70 701331931.00 754808488.90 acetyl-carnitine 146270532.40 131345697.70 164981397.20 158320140.90 172338609.80 156682146.30 135852759.70 181846108.00 154082559.40 163202675.30 157671854.20 190003697.60 propionyl-carnitine 33840549.90 31830220.21 36967729.43 47019377.92 54390586.81 48136227.75 32276960.14 44785678.25 37191099.40 53720476.91 54613956.77 61538425.73 cystathionine 1829054.05 1609927.24 1957928.29 1873970.46 1833861.36 1430320.76 879180.99 2005968.54 1625765.21 1060959.00 1891581.26 1437281.37 glycero-phospho-choline 359753369.50 364415315.40 387705860.40 388826466.80 399996796.90 380982213.10 295545895.60 403303950.10 373265245.00 341075466.60 418824386.00 434347796.30 5'-methylthioadenosine 18004265.48 16775607.04 22978711.08 18654036.57 26418322.03 27948172.40 14700951.17 27328495.25 19765587.28 25308578.36 16167127.70 24425841.28 GSH 302516159.40 395984358.30 486214872.70 386165541.50 446578339.70 495617688.40 205163095.00 459875851.30 400969227.80 274489586.10 332022780.30 440552144.50 S-adenosyl-methionine 18439033.78 22078758.66 23985061.35 29612989.87 32340080.35 34607324.16 15125417.51 21930681.61 22775554.66 24161141.26 30445306.63 34033752.78 GSSH 36502651.07 43034608.97 34151311.26 32732475.21 40896970.61 35736392.04 32391986.18 40182159.49 32191008.62 34585322.49 45285156.39 42755133.19 NAD+ 7364831.73 8323590.10 10406770.91 8559778.25 9472385.52 9504469.36 6230515.72 10065498.94 7895140.88 7669624.00 8924050.56 10206750.63 L-kynurenine 0.00 0.00 0.00 674648.52 262362.18 0.00 0.00 0.00 619963.03 0.00 0.00 880997.69 metabolite_name formula quantitated m/z retention times (min) polarity lactate C3H6O3 89.0244 10.5 -1 fumarate C4H4O4 115.0037 18 -1 succinate C4H6O4 117.0193 18 -1 taurine C2H7NO3S 124.0074 8.17 -1 L-aspartic acid C4H7NO4 132.0302 14.34 -1 malate C4H6O5 133.0142 18 -1 L-glutamine C5H10N2O3 145.0619 8.15 -1 L-glutamic acid C5H9NO4 146.0459 14.63 -1 hydroxyglutaric acid C5H8O5 147.0299 17.9 -1 L-methionine C5H11NO2S 148.0438 6.53 -1 L-histidine C6H9N3O2 154.0622 8.67 -1 uric acid C5H4N4O3 167.0211 15.88 -1 dihydroxyacetone-phosphate C3H7O6P 168.9908 24.55 -1 glucose C6H12O6 179.0561 4.91 -1 fructose C6H12O6 179.0561 4.36 -1 L-tyrosine C9H11NO3 180.0666 8.22 -1 sorbitol / mannitol C6H14O6 181.0718 4.69 -1 L-homocysteic acid C4H9NO5S 182.0129 8.29 -1 phospho-serine C3H8NO6P 184.0017 14.3 -1 3-phosphogylcerate/2-phosphogylcerate C3H7O7P 184.9857 21.7 -1 citrate/isocitrate C6H8O7 191.0197 21.5 -1 L-tryptophan C11H12N2O2 203.0826 6.66 -1 ribose-5-phosphate C5H11O8P 229.0119 18.2 -1 hexose-phosphate C6H13O9P 259.0224 17.99 -1 6-phosphogluconic-acid C6H13O10P 275.0174 18.69 -1 stearic-acid C18H36O2 283.2643 5.47 -1 sedoheptulose-7-phosphate C7H15O10P 289.033 16.09 -1 AMP C10H14N5O7P 346.0558 16.62 -1 CDP C9H15N3O11P2 402.0109 19.58 -1 ADP C10H15N5O10P2 426.0221 23.5 -1 folic acid C19H19N7O6 440.1324 25.45 -1 CTP C9H16N3O14P3 481.9772 22.86 -1 UTP C9H15N2O15P3 482.9613 26.72 -1 UDP-N-acetyl-glucosamine C17H27N3O17P2 606.0743 18.93 -1 phosphorylethanolamine C2H8NO4P 140.0118 15.4 -1 phosphocreatine C4H10N3O5P 210.0285 16.6 -1 L-serine C3H7NO3 106.0499 8.58 1 hypotaurine C2H7NO2S 110.027 7.48 1 creatinine C4H7N3O 114.0662 3 1 L-proline C5H9NO2 116.0706 6.08 1 L-valine C5H11NO2 118.0863 6.42 1 L-threonine C4H9NO3 120.0655 8.24 1 hydroxyproline C5H9NO3 132.0655 6.6 1 L-leucine/ L-isoleucine C6H13NO2 132.1019 5.47 1 L-asparagine C4H8N2O3 133.0608 8.86 1 ornithine C5H12N2O2 133.0972 9.2 1 L-lysine C6H14N2O2 147.1128 9.53 1 carnitine C7H16NO3 162.1125 5.76 1 pyridoxine C8H11NO3 170.0812 5.31 1 methyl-histidine C7H11N3O2 170.0924 7.08 1 L-arginine C6H14N4O2 175.119 8.67 1 citrulline C6H13N3O3 176.103 7.94 1 acetyl-carnitine C9H17NO4 204.123 4.55 1 L-kynurenine C10H12N2O3 209.0921 6.52 1 propionyl-carnitine C10H19NO4 218.1387 4.12 1 cystathionine C7H14N2O4S 223.0747 13.8 1 glycero-phospho-choline C8H20NO6P 258.1101 5.85 1 5'-methylthioadenosine C11H15N5O3S 298.0968 2.72 1 GSH C10H17N3O6S 308.0911 17.15 1 S-adenosyl-methionine C15H22N6O5S 399.1445 6.9 1 GSSH C20H32N6O12S2 613.1592 20.4 1 NAD+ C21H27N7O14P2 664.1164 13.55 1 choline C5H13NO 104.1075 7.15 1 phospho-choline C5H14NO4P 184.0733 13.7 1 triflate CHF3O3S 148.9526 4.5 -1 glycine C2H5NO2 76.0393 7.72 1