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