metabolite_name	DS1-27-02	DS1-27-05	DS1-27-08	DS1-27-11	DS1-27-14	DS1-27-17	DS1-27-20	DS1-27-26	DS1-27-29	DS1-27-35	DS1-27-38	DS1-27-43	DS1-27-46	DS1-27-49	DS1-27-41	DS1-27-52	DS1-27-54	DS1-27-56	DS1-27-03	DS1-27-06	DS1-27-09	DS1-27-12	DS1-27-15	DS1-27-18	DS1-27-21	DS1-27-27	DS1-27-30	DS1-27-36	DS1-27-39	DS1-27-44	DS1-27-47	DS1-27-50	DS1-27-01	DS1-27-04	DS1-27-07	DS1-27-10	DS1-27-13	DS1-27-16	DS1-27-19	DS1-27-25	DS1-27-28	DS1-27-34	DS1-27-37	DS1-27-42	DS1-27-45	DS1-27-48	DS1-27-40	DS1-27-51	DS1-27-53	DS1-27-55
L-cystine	865833.5	1332479	819181.7	800328.1	1850714	1598902	1322524	956851.2	1300778	497131.6	1380377	950432.8	632874.1	1234907	704660.5	839786	894290.2	1066812	796654.2	1270156	737046	1029332	2305428	2211642	980514.7	1297654	966565.2	685291.2	1628869	1132841	1095645	1036984	680501.7	1041140	801783.8	670915.2	1256099	1048907	536879.4	918120.2	1251203	598247.4	2266840	930832.9	862273.6	532107.4	770737.1	744265.2	1270760	1169062
ADP	1020.535	24705.37	28788.45	0	1862.992	705.4448	1735.71	22749.33	55920.38	181580.4	174687.5	24847.47	2521.754	5769.335	27653.04	15374.31	12928.25	53331.49	17451.09	149204.4	76013.32	152772.4	28317.28	38776.16	31133.23	99154.01	91916.98	155958.8	181394.9	31301.81	66019.53	142759.2	17981.59	28799.77	56698.14	41538.69	26302.18	740.6837	3149.271	55782.69	17699.2	168760	57758.5	0	19402.07	58603.25	30843.22	20748.56	1592.304	3248.476
AMP	0	15753.08	785.1799	1340.406	1173.386	981.2939	1895.966	30301.14	25667.15	51596.45	107000.9	29515.71	34465.83	29660.71	65872.16	22971.23	2396.702	34244.61	42676.69	178178.9	58878.62	30782.87	11206.12	36069.77	28488.65	40345.57	60559.9	44674.12	91315.18	10195.55	117186.8	37805.5	1787.38	3031.628	6370.412	34378.36	1909.665	529.1445	13761.41	45223.41	1588.81	86357.07	47269.44	1123.579	8393.885	22875.14	22339.73	11245.71	9606.227	20221.32
Uracil	231690.9	243351	280958.3	235355.5	259226.8	224097.9	226649.7	249073.1	264294.8	259792.8	267670.4	256993.5	174773.2	222335.8	253648	195506.1	244978.9	240432.4	241593.2	278046	249399.9	266614.2	315878.9	325994.9	244193	208995.6	259361.2	241081.6	263615.3	209476.2	242445.6	242760.1	264010.5	251183	266822.1	214614.2	282568.7	253741.2	200313	267547.5	258485.3	268897	238959.7	244167.5	232018.8	250074	0	248230	241591.4	202718.3
IDP	1546696	1292192	1338450	929746.8	1691849	1713045	1361853	1621128	1612060	1069656	1176723	1545449	965458.8	1285463	1294222	1201255	1103839	976541.9	1317122	1054995	1688765	1571556	1860967	2621035	1331169	1331382	1155226	1424553	1585098	1404237	1653587	1061307	1543801	1074852	2006964	1148357	1410522	1386755	1208652	884562.7	1471326	1026073	1533806	1277096	1127956	796477.7	1527120	1323507	1519734	871282.1
Inosine	18048.92	34026.36	21672.57	13039.09	21208.82	12783.48	24661.93	25632.81	17005.2	17558.22	27461.43	19771.87	13074.36	28216.58	21832.29	26494.1	19129.03	26018.02	22829.67	22145.21	27575.71	22244.94	19241.52	47722.58	25323.66	25092.42	16196.27	25228.74	50610.03	15242.8	28905.37	20365.11	21908.69	30719.49	6367.107	22398.98	21979.7	20467	16942.51	16468.84	13729.46	18232.58	15655	12196.39	22905.7	20822.84	20138.09	19761.44	23252.98	13005.24
Hypoxanthine	730648.6	659349.7	1081189	658264.7	743775.2	667815.8	881313.1	602419.2	683714.1	598950.6	798100.5	586245.2	252821.9	421792.1	669453.3	517144.9	1011504	610332.8	1682556	1435939	1669585	1234192	643875.8	2305700	762107.1	1021972	813214.4	1541186	1665039	985142	813136.3	1647915	1268404	988760.5	1210887	964731.2	863643	708671.2	680992.2	971037.3	1320258	842539.6	488195.4	1009846	821112.7	940114.3	587055.7	1087232	1116526	626450.7
Xanthine	137619.4	166660.6	61320.55	95204.31	166875.4	82958.27	117517.8	154559	144019.7	136004.9	223207.5	158246.3	48272.61	128502.1	162283	84672.52	120532.9	81898.79	115304.4	181360	169383.8	239975.3	347420	256324.4	151016.6	169875.3	148730.4	194830.8	190165.3	149610.4	109127.9	140404.8	109633.4	154101.3	124068.3	192130.4	162661.4	114889.9	83144.34	139613	166234.7	134043	144877.4	138072.2	121701.7	158222.2	138401	161068.9	128052.1	119846.9
(S)(+)-Allantoin	59814.68	79865.34	163600.5	49572.57	70334.77	56779.08	48646.52	53610.57	47091.17	47012.36	28695.3	46472.39	14858.42	27785.89	57697.73	63788.98	58921.18	52291.91	86035.82	76087.32	105330.6	56665.08	120272.9	95839.06	83990.72	42920.88	36760.22	66792.34	54575.33	64594.52	57079	60594.25	64070.42	118512.3	111084.1	47410.47	98761.55	80004	61200.18	48711.86	47740.6	41757.48	56083.5	41337.13	50258.43	65279.49	51505.55	83175.48	49819.5	29495.01
Urate	27706170	39848830	28721320	38650730	55355670	32917760	42009920	49134520	30973660	32249380	32692700	41833040	27825910	33478100	39469350	37936790	49955840	34920210	30791430	48423500	43667390	42274220	56211150	63960470	27562870	44242560	22585820	36627260	45011830	53866460	48123310	26265450	25677560	45208220	38098130	48996720	37833830	43635320	27720390	46585810	40492130	41821700	40592050	32412610	35845750	28304450	34227120	53746930	39222160	40125280
3',5'-Cyclic IMP	50713800	62214890	53889590	55847060	72393860	57318520	65244320	74526710	59912980	54229490	55110070	65547890	58253080	65557660	45407560	77701350	53225700	53414020	65326030	83513080	55844130	55235650	53096080	72981280	61069840	63901320	49838160	53198640	53638980	65778720	90318550	55739770	58799320	49419200	53507650	57145610	48265390	56956910	66118130	61157170	69780140	71862850	65616460	60402600	72403690	61817530	60165280	53612900	52289620	74480440
4-Pyridoxate	58062.93	63369.07	36207.51	14805.61	15108.5	90202.48	35324.62	22568.43	27362.6	55333.29	16235.21	19217.8	15936.94	36350.16	37105.04	19086.73	11882.28	19707.21	73680.55	25990.76	18263.05	23357.41	31789.79	154202.8	38242.25	17439.39	29109.96	37445.73	13559.9	10941.18	8535.345	14655.61	27745.19	27863.78	27962.64	18369.51	11783.79	45790.75	13156.11	24092.79	24310.01	36331.45	18214.01	11555.93	12629.02	21873.98	29133.58	26889.22	33390.71	27902.63
Pyridoxamine 5'-phosphate	1800.441	44428.36	85989.56	23191.89	56421.11	67560.37	130425.4	8230.296	115703.9	110833.4	11178.23	55990.86	29930.35	51204.66	5760.542	46769.57	35300.29	98945.15	8994.652	33398.14	32061.41	86651.23	71689.91	172391.5	30101.18	4673.25	40156.81	35421.27	40523.19	40862.63	53611	25934.81	90823.62	21652.4	51028.3	8543.745	11992.14	71759.28	37235.93	5890.799	26419.31	17916.61	16558.57	35409.8	6251.206	18823.43	1845.422	13993.12	8389.16	22125.73
Adenylosuccinic acid	47319.92	41399.41	97866.19	49301.46	90726.81	104590.9	64879.5	64534.73	128423.5	67210.68	154296.1	107098.9	29791.26	122344.2	17936.79	33565.33	29336.07	41487.2	47787.73	31693.36	97629.69	37577.91	24278.33	32426.65	55404.11	85070.59	38663.96	18267.74	61499.61	78797.57	66761.16	64684.25	55190.75	24912.26	82064	100981.2	66770.43	90085.49	60220.91	58217.56	136949.5	87936.27	43173.43	87168.41	65589.46	112755	63124.55	37291.5	32018.7	51919.4
Phosphate	13090280	13719450	11657410	8984535	19353090	14181600	14045440	17124510	15050510	12167490	13248140	13415440	12612320	13696650	16656080	12278780	11273090	12972260	11656930	12066690	17832480	17560040	19072830	28933490	18191370	15122260	11332180	13265200	16976650	12733980	14612340	13565090	14628070	13882130	18197870	11191240	13595740	13600420	11521480	14465270	14387610	10612910	12336220	13768230	12140710	10226490	13720840	15314550	14994300	9125345
Diphosphate	144561.7	128629.5	125277.1	88027.13	176683.3	188951.8	125827.9	196263.3	144471.8	155553	103030.4	202610.4	133726	142037	172163.4	99436.72	92949.84	135261.1	129007.5	115429.9	249654.1	197614.2	218396	320082	196667.1	124325.8	116989.9	116429.2	204125.2	120865.8	217700.3	138892.9	159510	110004.7	251368.1	65638.97	163517.5	147972.7	157912.7	81611.98	150114.2	105181.2	143933.9	95855.68	135575.9	78438.9	189284.3	157448.3	183822.8	62492.96
D-Glucose	33177150	34252480	30468330	25904440	30283410	32082490	34258220	28225000	33620640	32189650	28782470	26328580	17588500	35819900	29106200	32366090	29242570	31696330	31868390	26086940	29868160	31810250	32677900	36383200	26474210	35956280	23234190	26847590	40886220	29522910	32241500	29594450	40753140	33246920	26111130	39193200	30039560	33065950	21735120	34656590	25385600	34412770	31425690	24518900	29169200	28710140	32284590	29635040	34908520	26543990
D-Glyceraldehyde 3-phosphate/Glycerone phosphate	38696.96	35451.78	43581.67	40902.27	32123.99	40980.61	45096.77	44286.68	31057.6	45644.85	49304.73	27824.56	17340.07	44845.45	49660.92	50348.23	44275.28	41845.82	61164.47	31900.84	47573.14	47487.51	57317.46	34190.49	39544.84	45229.53	49506.77	21395.11	30244.79	38440.93	50072.14	47184.61	30998.18	55518.84	52118.75	38232.14	52964.46	46084.08	27400.26	37103.29	48468.06	43156.62	39726.19	35628.3	45549.12	36462.49	49929.52	50452.64	34107.31	41035.97
1-3-Bisphosphoglycerate	25967.63	19804.67	12581.88	17830.09	33902.86	44708.52	22355.66	23648.8	20107.24	17762.93	166620.2	14306.37	29885.43	31420.61	23954.4	21613.77	27550.51	21034.25	3611.342	206628.6	113257.8	660020.2	197801.6	24933.3	16801.34	246662.6	185536.7	202486.9	120253.8	31634.77	28519.94	146746.9	8873.983	224185.4	20140.43	55269.62	15779.25	20336.08	24331.79	15632.91	16750.5	6510.051	46681.72	19388.73	13873.28	15696.26	9448.976	19335.01	20954.69	22758.78
Pyruvate	5115206	4607832	4261068	2450536	2193221	3034779	3173268	4117576	2814710	3135722	6878572	4449394	1583958	3279237	3631830	2898498	3362518	2691342	5050591	3054437	2702723	2830459	1561266	12507970	6955050	1257955	3034597	1569755	1793738	3383385	2770015	1578104	3203291	3485835	3244835	3359155	2461172	2378646	1873529	6033994	3242513	3651076	3767773	3786517	2445671	3112275	3999424	3778568	4763116	3435631
Lactate	63205820	62393430	68107480	32457210	30817570	30655230	35297600	40155870	32836430	41690720	127387400	64308380	26555740	45585080	46046060	38262850	40416620	30142440	99628120	105292700	53208530	68768060	53515540	154514500	90277300	38237550	54052760	49456480	71186760	50531070	51798240	34840730	54895580	46103500	38665020	45187970	30662130	30679360	22865220	92032680	61266520	62174830	75870460	53580130	41824780	52601820	53642320	51413710	69712230	49276190
Maltose	39565.46	50356.07	109691.5	26830.21	36295.66	45834.5	34531.24	38437.78	38674.32	64463.64	33209.17	180033.3	17607.17	35761.94	52159.67	23436.47	31170.62	33054.41	46861.11	48394.04	30645.6	29838.47	38856.69	46796.14	113898.3	42084.84	35971.94	38658.25	27705.72	25564.3	18507.34	30076.29	33814.63	41136.19	36146.43	39580.65	49286.06	28858.54	26375.28	53927.69	33639.98	96142.62	10584.84	27361.54	55086.96	29040.74	37539.98	32545.72	49960.02	59720.11
Mannitol	449164	316856.9	890674	285028.5	438189.8	432291.7	672119.2	464945	408469.2	405715.6	491594.7	348889.9	252302	375080.9	407016	402595.2	297411.2	578460.1	634607	345697.8	448543	431419	826095.3	675136.2	624105.6	1203794	497962.4	580695.8	536020.2	295392.2	385734.5	482873.9	344656.7	409995.9	414840.5	428438.7	747543.5	486449.3	375211.8	620504.5	511191.7	421447.1	525928.1	349867.2	668780.8	417490.4	428084.9	651755.9	349850.9	354427.5
D-Ribose	910585.8	964091.2	877697.7	739848.5	891650.1	857468.6	1026236	753138.8	860620.2	861745	747612.2	785978.8	468918.1	981226.3	836370.4	895107.4	820936.8	875127.8	884893.8	765184.2	808421.2	924569.7	793379.1	987111.7	706033	1023896	574483.6	757148.5	1170609	779145.8	903359.3	866378.3	1142818	903102.2	783196.6	1094548	865030	921886.4	652516.8	950388	735761.5	962069.3	919785.8	700306.8	837290.8	840990.8	926729.6	972610.8	931019	716240
D-Rhamnose	1655301	1462262	2635865	877217.7	3573846	1775711	1403382	1324949	1611184	2069689	1484092	2019140	475104.4	1095802	2017347	1370552	2495140	963096.2	1568925	1169490	2489134	1202537	3956443	2316175	1306793	1001146	1580702	2661497	1413586	1560053	465891.3	1900892	1693707	1516598	2546788	1241486	3288350	1646579	843074.8	1833997	1842375	2559826	1465797	1637166	883478.1	1546005	2145943	3296375	2146917	851839.9
D-Arabitol	110814	105112.7	105595.3	86412.94	80800.7	75190.99	140917.3	76531.96	128596.5	71879.1	84698.58	121523.5	38875.92	66918.32	117091.6	75909.98	93553.98	108185.1	87397.29	82104.62	102336.7	94428.77	108981.4	133381.8	92021.98	114617.5	75224.94	90319.16	79965.55	82736.51	67655.38	97434.85	111561.5	97265.09	123320.2	89701.79	128454.4	87519.29	73838.02	274072.4	118159	76244.19	123969.9	87773.32	70268.32	82945.11	110372.2	102359.6	117619.3	90980.1
Citrate	20973030	14609560	12936820	10454930	11863080	10545550	10960660	9652495	12895990	11175330	16246330	11793700	4178381	5799534	11413340	8134904	10661220	12776350	15891050	10779040	11613220	12945190	15777330	22074680	9463216	10442320	8820039	6760342	13338340	9381389	7742856	6483370	14597000	12147010	11636620	14541150	12557180	7744702	4688549	9912044	10498220	7794870	12672350	11934440	6336940	8708797	11952670	9995319	17138190	7801060
2-Oxoglutarate	458688.1	445829.5	372164.7	343282.4	306688.8	318256.3	423658.2	352967.5	384043.2	316245.5	373993.3	610706.3	203049.5	407663.8	370432.5	269762.8	340634.6	410836.5	404584.1	446002.8	411171.9	512338.2	263610.3	828307	440555.3	395777.1	264806.4	241819.8	329495	547326.3	482909.3	318714.5	458703.1	338857.9	445100.3	359903.8	226044.4	294494.4	217851.4	330716.1	401104	308316	302805.3	542320.3	293068.9	499826.8	330071.8	266635.5	391688.7	352472.7
2-Oxoglutaramate	106935.7	55756.38	112482.4	65648.03	97357.62	107828.6	114124	81526.01	147407.2	91858.34	129311	128600.5	45026.39	93722.52	79576.28	44633.57	93859.85	96750.79	132843.2	81404.16	77656.12	54190	95228.85	211930.4	105235.1	81276.4	91854.38	95710.65	119008.5	94702.21	74027.03	101650.8	118175.2	49880.47	84383.91	58286.06	92923.53	91814.87	69166.73	113594.6	91229.59	105366.5	115671.2	85330.42	75610.2	78067.85	102041.9	101590.6	86303.91	91927.02
Succinate	468529.3	325011.2	319240.7	230917.2	267734.6	268583	407943.2	384258.4	349723.4	437149.5	465865.8	336173.7	144206.8	407211.7	445218.9	274781	197094.4	433825.9	510134.3	289213.2	275866.5	251285.2	222674	467188.4	325587.6	300021	314601.9	250253.4	391455.2	291222.5	312801.6	231309.5	387602.6	268034.8	506971.5	395858.5	266788.4	297338.3	256633.4	353446	457277.1	380146.9	400108.2	411911	227840.8	295281.9	485650.5	291990.6	408894.7	381428.8
Fumarate	84733.4	113794	40926.27	71645.16	85222.82	56364.61	70030.54	61467.64	58920.94	67061.52	91765.85	60487.39	39212.2	73492.55	47992.64	47525.61	70942.9	67883.55	99282.81	56597.56	87377.31	92290.71	68108.91	73522.12	72610.32	58647.67	33716.46	46714.46	58346.72	32713.77	56264.45	45176.52	93435.69	58155.81	61208.61	82465.12	52903.08	54085.18	51980.48	77231.59	70200.66	76352.71	55979.54	47884.69	49203.57	67588.86	54473.34	60547.83	111022.6	40694.1
Malate	557289.9	636898.8	533100.1	331306.2	288722.1	455505.5	302675.2	326535.4	306788.9	425278.8	687179.7	441749.4	199312.5	264743.9	335744.4	246976.7	321685.1	298256.2	507035.8	453034.1	378547.7	489744.2	310018.5	748924.3	351534	318397.8	337782.1	226267	349623	382303	210559.5	180093.9	466885.3	487523.2	471420.2	560338.5	268193.1	297050.5	162280.9	379644.5	351285.5	391476.6	485448.7	401161.2	302592	320963	385461.2	315985.2	499346	302784
Oxaloacetate	129641.2	124321.7	151590.9	115792.9	128694.4	123642.4	162943.7	142721.3	149880.2	96368.71	86915.41	111934.8	74635.01	119595.3	145426.3	117340.2	118600.5	97300.84	119533.4	135869.4	131956.2	135485.5	170013.9	182009.1	116307.7	123639.1	126529.9	137843	87042.02	147504	113666.6	113322.8	164623.8	54614.61	142724.8	142156.5	140498	98371.54	93593.23	118047.1	119563.3	119191.2	131894.2	129521.5	115863.2	165344.6	114148.4	117248.1	142358.4	102467.5
2-Hydroxyglutarate/Citramalate	412009.9	318852.2	434889	338771.8	252373.2	175011.1	462535.6	359208.7	362537.6	459485.7	178660.3	376756.6	263081.5	245703.4	161428.6	190555.8	312126	139635.9	162183.5	188440.8	190766.9	376697.3	96367.72	176282.9	198684.5	167844	181400	170016.5	143185	178569.7	195656.8	83278.11	206837.8	179292.6	320534.2	223369.2	182494	144812	142655.6	308386.6	145417.7	168390.1	111340.1	192004.3	221322.2	99534.44	158096.1	307489.2	248778.4	179960.8
D-Glucono-1-5-lactone 6-phosphate	117589.6	80654.87	153132.3	115589.9	89823.06	58588.67	102662.9	74568.55	92401.19	162585.4	153363.3	106358.9	37360.06	82941.95	119545.5	65609.12	174956.6	72634.29	85292.78	61339.72	41779.97	124492.8	51298.83	117747.2	92928.45	116897	101024.4	101732.6	114369.8	90985.6	32997.52	52265.94	137992.2	148497.7	40268.5	65210	113116.4	130908.8	54624.88	74400.48	97853.46	60563.91	145055.3	129942.5	86183.93	65844.15	94315.74	160740.2	54864.58	57459.32
Ascorbate	277341.4	267223.2	297120.2	243014	255485	264812.6	283956.9	271091.1	220964.4	259670.8	255733.9	234063.9	125454.5	342304	245060.1	300301.5	196850.2	270555.1	272823	222887.4	244275.1	272417.1	241366	349511.2	212239.4	319505.7	190317.6	216684.5	361629.7	239981.5	325406.9	244039.1	350231.8	285691.4	240685.7	336896.4	326233.8	252223.4	173039.7	265538.5	236769.2	263795.4	299972.7	202060.5	267912.7	251000.9	238136.8	257541.3	353651.5	196160.8
N-Acetylneuraminate	46884.62	58957.82	34554.75	32573.26	31569.12	47302.11	27923.56	39599.54	36497.65	54503.05	18076.35	42746.77	13472.02	13616.88	42508.29	30711.66	41200.12	29504.28	52947.88	48819.83	60947.17	42662.89	54316.81	82439.45	31773.95	30353.24	33781.52	34407.59	50702.55	44548.48	36138.26	27305.53	37829.26	30645.51	43645.43	54634.78	54669.02	39824.03	22572.71	28591.28	15940.87	45443.19	18874.01	22399.24	14394.4	37057.25	43147.15	67233.2	63920.11	32171.13
Pantothenate	113754.9	46927.83	44639.26	38459.51	50786.9	71642.2	49760.46	53960.12	50688.46	103517	65627.3	49697.84	32234.95	45541.25	60642.96	39992.58	51061.61	59914.11	114445	53288.44	53436.56	52430.49	65176.03	218353.5	28410.07	61416.78	40667.96	105778.7	90855.27	52686.45	58301.14	67237.94	138517.7	41104.86	38672.68	37688.36	62030.72	93939.87	25448.2	61961.62	69734.45	95059.16	72328.98	31234.12	37177.19	59128.73	74521.9	33151.79	41244.56	49068.61
Taurine	5869730	3977448	5242860	5317580	4887112	7428396	5419642	4957954	4680934	6150660	4797160	5428596	2120552	6563238	3415370	3397174	4327189	5067158	6501238	7470120	5852258	7099684	6204258	14433140	4233306	5534039	4184130	4538688	6869540	6546762	3886527	6097378	6022102	5285146	5608048	4441792	5336624	5129546	4032342	5343974	4051385	5764308	3996787	6335964	3408543	5900664	3123270	5237915	7090006	4713176
Hypotaurine	16863.81	22444.96	6842.318	12621.82	13772.26	11419.46	7726.5	22581.49	17752.5	18657.45	12314.69	11831.63	6982.992	14376.42	11051.84	8887.25	10910.02	26037.98	16161.12	27777.22	22131.43	4414.232	14471.83	32115.43	15892.68	13594.87	6099.475	11913.01	25825.74	16102.5	18996.03	14715.94	11389.1	16869.43	4837.458	4236.558	8793.878	11667.17	5302.96	17120.09	12889.32	14011.56	20512.81	6468.369	4737.42	10350.64	10250.32	4428.218	9039.382	18376.21
3-Sulfino-L-alanine	49868.43	45475.2	39714.83	36841.85	62315.86	61924.89	51753.77	63687.86	85158.12	54436.79	59880.98	72524.78	43138.59	66781.08	73241.74	46159.71	69513.96	73156.25	36987.21	46755.19	36111.14	41908.81	83854.45	91621.47	49377.93	59949.37	51967.77	47056.8	88249.82	70114.3	54037.38	81477.32	48414.86	42474.18	44691.97	36617.3	58405.29	51742.11	52431.68	42305.4	103625.7	49401.14	85473.65	76475.84	25427.97	84239.8	62106.93	82539	89248.24	47788.17
Thiocysteine	11578.66	19783.52	17215.96	9360.865	28627.21	29305.94	21785.87	16339.18	24376.12	8312.402	18546.72	15373.72	7424.144	19224.1	9314.797	14118.22	12569.1	17516.06	6986.041	25781.03	14039.12	16084.05	30742.38	29581.5	17905.42	25478.91	16416.65	10315.26	22199.85	16932.51	17050.79	14425.26	13596.33	18673.45	13557.22	11919.83	23788.13	17810.47	10163.21	11952.86	24481.63	10330.44	31265.18	15766	5901.311	5732.406	16761.13	14158.84	17405.18	20711.51
3-Sulfocatechol	330112.8	1404096	1933287	449137.2	482989.6	515304.8	2309080	395923.6	2290988	703776.5	140017.8	1253789	236720.2	2992712	953010.4	675855.7	541808.4	773652.3	854285.5	623637.1	487296.2	312905.5	569753.7	888732	981194.9	1120976	184971.4	434060.3	108903.7	791992.2	442255	2294835	320486.2	351399.1	781271.8	1192396	769852.3	546962.8	1684237	737923.2	2769451	963010.7	84632.2	1213557	400650.3	2431216	596150.8	1190501	301155	530195.2
L-Methionine S-oxide	22110.88	34700.19	58506.84	18417.03	20834.08	28747.23	31526.79	21185.67	18937.91	19831.52	23588.22	21291.88	8709.979	21953.27	26588.07	21378.28	18400.15	29240.24	30325.83	32934.52	32638.69	24348.02	30261.15	31042.19	27232.45	16936.93	18935.97	23329.28	21268.38	28079.71	20734.91	25909.52	33461.32	28178.21	24868.09	31814.41	28196.15	28508.88	17135.92	32828.77	23485.55	19970.51	31950.06	25606.05	26285.69	20895.44	24691.53	14016.9	23171.3	26956.25
5-Hydroxyindoleacetate	6253.457	11765.78	7647.854	4140.61	8528.542	8870.493	16687.67	12642.56	19114.78	3450.903	11906.11	3548.472	7938.41	9709.925	6104.559	4765.752	6911.453	11573.48	6609.065	9040.363	7135.816	11659.79	15381.84	22986.11	6941.328	4692.822	6708.993	3209.698	10302.4	6891.314	7115.833	6357.051	1885.599	9728.796	6777.691	3794.827	9761.375	9221	6815.99	1055.733	23283.38	2070.679	4246.693	9778.245	5528.086	9567.884	9088.999	7719.263	5438.701	9406.476
Indole	43942.68	47372.05	62205.12	42842.64	59129.21	61812.5	85857.58	62152.47	79752.1	56744.17	53493.11	66883.26	54566.77	65471.95	62218.19	52699.07	36585.92	61371.16	59648.71	70553.98	51799.83	46605.14	86343.61	78830.04	66036.18	52813.61	54696.75	66341.22	49345	52029.03	42479.29	51052.36	62811.55	51164.89	42126.49	53726.64	77151.4	67333.88	72417.66	68534.2	65921.84	63681.14	47611.07	58242.81	54815.2	61892.73	59490.67	67974.73	56219.59	53712.88
quinolinic acid	249671.2	309399.7	261110.8	340884.3	465519.8	289429	345789.8	380632.9	275491.7	272235	274404.4	356121.5	222947.8	260017.4	274543.3	282822.2	417986	317675.9	274468.5	393350.2	385867.9	400547.2	514195.8	478920.2	248611.6	370779.9	179727	306813.3	332473.8	460390.6	379734.7	206426.5	220060.1	420847.9	354078	413808.6	360601.5	372487.3	227840.7	400125.5	295937	338019.3	371351.1	305475	328596.8	283564.9	300805.8	398562.1	344107.8	345856.5
Serotonin	162242.4	63883.23	105542.7	88358.44	113501.1	93917	92960.24	92010.4	101755.3	73111.83	79507.39	85010.8	68346.1	127324.4	92810.72	97268.09	70406.37	102424.2	114263.2	98841.16	150840.8	80261.35	109297.2	188663.1	112771.1	118331.1	94044.63	71577.01	92209.55	87295.19	135109.5	101315.1	183060.1	115060	126903.2	107722.8	132735	139753.9	90199.52	124978.5	83962.45	80048.49	93913.66	79427.13	122102.2	120574.1	104435.8	98152.82	102461.3	108456.6
3D-(3-5/4)-Trihydroxycyclohexane-1-2-dione	339877.2	282859.8	321742.3	255124.1	299192.8	321560.9	315029.7	308795.6	302347.5	310725.3	272423.5	281679.1	154395.3	322058	268609.4	341653.8	225865.5	328680	262301.6	223108.1	301397	279520.7	239823.9	369366.1	290520.1	391388.2	184288.5	275533.2	442325.4	269099.2	373484.3	288464.5	377935.6	333126.2	275922.3	348046.4	316511.9	286315.2	205192.6	364530	256655.4	319849.2	310988.4	279468	258048.5	292960.8	311339.9	268400	350129.1	216496.6
Ethanolamine phosphate	86610.56	37601	34004.24	75173.51	95958.47	30755.94	37552.67	44290.71	63841.16	109645.9	114576.8	43809.57	33972.2	47831.16	41951.27	44533.25	46899.82	74979.91	80638.31	50860.07	48088.2	121581	63486.47	121375.4	60872.35	39489.92	46080.07	24077.58	99597.49	98471.4	59029.8	85813.55	40468.43	104934.5	95207.74	43362.32	126638.2	100082.7	40710.04	51450.3	34006.94	95570.45	40575.64	54351.89	41617	58017.73	33111.23	47873.77	73187.09	101744
Nonanoic acid (pelargonate)	9798524	10372450	8675928	9834726	8458856	11261800	9808593	6322762	8188692	9717958	10050790	10205900	5434852	4781460	9899537	6869172	9498561	10313530	9822540	6531148	9755481	9085209	9617844	6911984	9980468	8387310	8684740	8237120	9881772	7026116	4076615	9661961	8869575	9758851	8352930	9087975	10268480	8610404	7940868	9867292	8553091	9352677	11180780	9600308	7893192	8637384	9237845	9412408	9868563	7123372
Decanoic acid (caprate)	10379890	7838702	13253070	6549246	8416135	7884798	13186570	4899476	8045780	10377640	8150616	7569108	3899957	3705339	7652914	5972784	7194082	7939836	9606843	5642194	9610963	10571730	8297940	8761021	9610849	6910214	7801544	7016544	8122978	6958582	3254037	9012052	9637784	9152555	8176478	6943962	8363442	6617012	8519054	8202416	7476482	8012742	9006505	8670389	5584488	7660878	7361370	8601453	9044456	5878002
Dodecanoic acid	22498930	7995122	8571157	4421216	7010502	3850705	11807340	3258720	6882834	9914401	4779034	4442740	2329202	2925901	5017742	4672270	6889442	5362705	13534670	5041146	8745981	18600250	10060320	8020192	8260266	5381862	7471690	4019551	7309518	4969080	2553640	6006150	21861090	5961202	9418416	5999332	4751304	3754382	6701782	5668906	7242038	12598220	7794482	5048034	3023387	7071890	7834362	6916368	9741487	9629636
Tetradecanoic acid	29665990	18300150	11391200	7105148	16085730	6357682	21568490	8610482	18795500	17718100	12995170	10900120	4119685	5613298	7720374	7772406	16061870	11221020	15929310	13027670	23362860	32854280	20242720	31358560	18184280	11723500	13808480	8404585	20280980	16298710	4972984	14170580	25087400	12900930	13471120	10401940	11128520	8908109	11905000	12898990	13951180	11423980	19731400	10066280	5635348	18154120	13090240	12834360	13911890	12154610
Octadecanoic acid	32270610	36153200	42307290	21522910	24604570	23544670	38369110	20331710	30753010	44776690	25837720	26296880	6602076	9858561	22261090	14034560	41342380	30791300	21233400	22120220	35729200	52514940	32507330	51173480	33209190	29521890	25808420	33699040	39164310	29441300	10306660	24180310	25777990	32325880	31464680	25096940	29574220	19569870	16915160	29455690	22102080	19338540	46483320	25460920	17073220	25569660	41562920	28616080	44149620	20820870
Tetradecenoic acid	5660856	3047729	849226.2	894748.7	3751952	556186.4	4221514	1028696	2275340	3037484	2155175	1786059	439519.4	921747.4	973305.8	850853.2	3438570	1250373	3339816	2950953	4698420	3886452	5902326	4954086	3566629	2182692	1939557	547262.2	2601131	3027614	605084.3	2432443	3669539	1994767	2558050	1404551	1668853	1067030	1818939	2722045	2275611	765306.8	2256264	1681620	534433.2	3294949	1823423	2153694	1500538	2086274
Hexadecenoic acid	41837280	32843110	2518655	6745854	31646610	4292322	34577850	12796310	18783330	21459180	17005220	12728480	3295759	7821158	9570473	4672692	35475000	12625880	18798910	30231050	38168740	38436150	39128690	60545360	35826960	18963550	16207950	5468246	34644750	34126110	8419691	18016310	31304850	17905180	19825570	8526183	11848780	13110040	9508179	19674080	18249650	6729850	30260230	9656001	6897314	26891610	18683070	16720300	13853160	16109930
Octadecenoic acid	253821300	213086300	68929980	87765130	190824900	58883110	212938400	85348180	160373600	264278600	120484400	97498340	32729060	56989660	84733590	58659840	177252200	146967800	126216500	144078800	226613400	385824600	218493700	384718600	269526300	163455200	119914800	100112400	281566000	238178400	115698800	165044400	170583400	140798800	131188700	86026260	99861250	106765800	99471080	106129100	141462800	70053430	185299000	87185740	55310660	167781300	163973200	123770500	144430900	118111100
Linoleate	132792500	129791400	27833830	57968060	108508800	36032700	158470300	40979920	84398570	170625500	88029050	49083480	23842740	35949860	46303970	54545160	123846600	68648970	87887440	123492500	133203000	238457400	110552600	285420100	204792000	93137340	62884510	58903750	178340400	135504100	59345920	85070120	109920800	88723520	111249700	64366680	49175270	66979870	70724890	84424760	82836750	43693270	119672000	45750580	40318830	99787460	70226020	66699550	116980700	63244640
Octadecatrienoic acid	13522110	12315290	2731154	4348536	11035410	5348766	16699760	3589063	8784037	19154710	7517708	6071448	2688669	4398268	2784248	7152738	12540210	5368780	7607770	10877020	11739520	27353940	13025180	29249260	14172600	5716550	7485494	7283112	14776360	11309820	5858528	7502454	12297790	7952914	9873033	7323894	5723974	6997794	5140700	8748765	10212950	4969792	12219380	5327236	5212922	9944348	4480200	7172086	14496020	7572198
Eicosatetraenoic acid	6854032	5618190	2620274	4097773	7662292	3051498	6898378	3519944	5308766	5855780	6062632	2873439	1273608	2457556	3523608	3992685	7054984	3970801	5119246	8574037	5850222	13116770	9591831	13639110	4001058	7952390	4417158	4493272	13411580	6396798	3555755	4402172	7185906	5372950	8441828	6038522	3892483	4392152	4027779	6726430	4754921	3777862	8445455	3446544	3554774	4925868	3673602	3573400	5232816	4279776
Eicosapentaenoic acid	1440271	294598.2	451647.3	321225.9	463799.4	261541.9	519820.3	217963.1	519661.8	1277406	377862.3	221356.6	201191.5	256600	1419166	716170.4	548770.8	297283.6	1334700	395366.2	567108.8	1364333	688838.1	776143.5	380763.2	465585.4	453624.3	834164.2	612894.2	421246.8	1027264	324212.2	1301600	336893.6	470190.7	362588.4	356224.4	364333.4	314620.5	899589.6	468774.7	695091.1	762599.2	392047.7	1309084	514905.9	323378.5	342257	549617.1	561664.9
Docosahexaenoic acid	7990368	1396014	2648161	3688464	3187116	1467132	4700754	1273309	2563535	7072530	2988157	3090870	1480359	1418245	3242565	3646860	5536828	1896295	7386134	2074519	3656052	8484167	4324194	4812784	3882898	2347236	2646341	4093998	3919904	9146630	4038436	2299110	6732830	1281345	3747519	3740096	1855425	1088994	2697774	5356754	3106027	2898316	2861897	5144962	4902420	2774374	1693585	2443696	3216602	2972675
(8Z-11Z-14Z)-Icosatrienoic acid	1346190	1384137	430738.2	591338.9	1686481	490841.9	1577874	527669.9	1001022	1632775	1045317	780207.6	209644	703022.6	600269.9	529577.2	1152195	819929.9	885966.6	1292326	1315140	2053386	2529945	2559570	1274245	1172551	812005.9	863139	2124083	1565808	682385	1614104	1212279	948833.3	1939874	735081.5	1463559	775873.2	1034542	888305.2	1068908	838683.1	1246639	1170435	546228.6	1479484	950167.4	880601.2	990740.4	951958.1
(7Z-10Z-13Z-16Z-19Z)-Docosa-7-10-13-16-19-pentaenoic acid	1709730	703020.2	485889.5	484619.3	1301107	340044.3	1195665	410917.2	740622	1572766	789501.1	361218.9	267296.3	392374.9	586815.1	655029.5	1277374	384534.3	1040791	1022844	829285.4	1967610	1590772	2441195	892465.5	740475.1	577943.8	722533.2	1623269	1097835	907161.5	648523.5	1243933	734933.6	1179720	588663.6	668576.1	452378.2	620047.9	1120850	875022.5	498935.7	1008496	468926.8	771833.8	896519.7	418982	577160.9	912260.2	699480.5

metabolite_name	KEGG ID	m/z	r.t.
L-cystine	C00491	239.0161	0.6727108
ADP	C00008	426.0229	0.529745
AMP	C00020	346.0558	0.596176
Uracil	C00106	111.0186	0.6327525
IDP	C00104	427.0072	0.5374111
Inosine	C00294	267.0731	0.6666611
Hypoxanthine	C00262	135.0293	0.645717
Xanthine	C00385	151.0252	0.6727985
(S)(+)-Allantoin	C02350	157.0357	0.6525851
Urate	C00366	167.0199	0.5981045
3',5'-Cyclic IMP	C00943	329.031	0.5110469
4-Pyridoxate	C00847	182.0448	0.6444873
Pyridoxamine 5'-phosphate	C00647	247.0454	1.75921
Adenylosuccinic acid	C03794	462.0687	0.5206904
Phosphate	C00009	96.96807	0.5564038
Diphosphate	C00013	176.9353	0.5558867
D-Glucose	C00031	179.0555	0.6499174
D-Glyceraldehyde 3-phosphate/Glycerone phosphate	C00118	168.9891	0.5962392
1-3-Bisphosphoglycerate	C00236	264.952	0.5340121
Pyruvate	C00022	87.00718	0.5958806
Lactate	C01432	89.02288	0.6008169
Maltose	C00208	341.1094	0.6516944
Mannitol	C00392	181.0706	0.6873482
D-Ribose	C00121	149.0451	0.6397812
D-Rhamnose	C01684	163.061	0.6793561
D-Arabitol	C01904	151.0607	0.653662
Citrate	C00158	191.0191	0.5463701
2-Oxoglutarate	C00026	145.0134	0.5321081
2-Oxoglutaramate	C00940	144.0292	0.565667
Succinate	C00042	117.0178	0.5421044
Fumarate	C00122	115.0032	0.555649
Malate	C00149	133.0129	0.5476584
Oxaloacetate	C00036	131.0001	0.5511208
2-Hydroxyglutarate/Citramalate	C02630	147.0293	0.5476246
D-Glucono-1-5-lactone 6-phosphate	C01236	257.0078	0.50971
Ascorbate	C00072	175.0246	0.6492282
N-Acetylneuraminate	C00270	308.0989	0.5848171
Pantothenate	C00864	218.1034	0.6203189
Taurine	C00245	124.006	0.6337236
Hypotaurine	C00519	108.011	0.6410049
3-Sulfino-L-alanine	C00606	152.0013	0.5813473
Thiocysteine	C01962	151.9835	0.6168046
3-Sulfocatechol	C06336	188.9859	0.6647344
L-Methionine S-oxide	C02989	164.0377	0.6529588
5-Hydroxyindoleacetate	C05635	190.0529	0.6184006
Indole	C00463	116.0491	1.747505
quinolinic acid	C03722	166.0137	0.5977488
Serotonin	C00780	175.091	0.6439143
3D-(3-5/4)-Trihydroxycyclohexane-1-2-dione	C04287	159.0293	0.6410278
Ethanolamine phosphate	C00346	140.0104	0.5940118
Nonanoic acid (pelargonate)	C01601	157.1225	2.162166
Decanoic acid (caprate)	C01571	171.1383	2.242214
Dodecanoic acid	C02679	199.1699	2.412265
Tetradecanoic acid	C06424	227.2012	2.640204
Octadecanoic acid	C01530	283.2643	3.474477
Tetradecenoic acid	C08322	225.1856	2.447868
Hexadecenoic acid	C08362	253.2172	2.670429
Octadecenoic acid	C00712	281.2487	3.00905
Linoleate	C01595	279.233	2.718016
Octadecatrienoic acid	C06427	277.2173	2.537418
Eicosatetraenoic acid	C00219	303.2332	2.627687
Eicosapentaenoic acid	C06428	301.2175	2.487296
Docosahexaenoic acid	C06429	327.2332	2.545464
(8Z-11Z-14Z)-Icosatrienoic acid	C03242	305.2488	2.786512
(7Z-10Z-13Z-16Z-19Z)-Docosa-7-10-13-16-19-pentaenoic acid	C16513	329.2491	2.649376