metabolite_name	SUMJUV20_1	SUMJUV20_2	SUMJUV20_3	SUMJUV20_4	SUMJUV20_5	FALLJUV20_1	FALLJUV20_2	FALLJUV20_3	FALLJUV20_4	WINTERJUV21_1	WINTERJUV21_2	WINTERJUV21_3	WINTERJUV21_4	WINTERJUV21_5	SPRINGAD21_1	SPRINGAD21_2	SPRINGAD21_3	SPRINGAD21_4	SPRINGAD21_5	SUMAD21_1	SUMAD21_2	SUMAD21_3	SUMAD21_4	SUMAD21_5
1-Methyl Adenosine	8220852.068	5525759.302	5374067.016	5114529.695	6376723.348	7229121.781	2860482.685	9256408.661	3761181.871	1629969.85	3150350.54	2435106.657	3644245.138	2938978.38	4492832.288	3988807.089	5436277.838	3413229.295	3665767.342	6424803.34	3536240.223	3427241.057	4539777.702	2680448.128
3-Hydroxy-2-methyl-4-pyrone	1711823.068	813262.5625	360996.8402	454903.2961	1044458.164	327827.8221	445812.8582	723122.3558	493528.9925	111444.6161	244234.0791	290249.7153	211637.4778	491138.7921	240658.808	211476.2736	498666.3611	63985.05826	207794.9104	684265.9159	181690.4411	236483.386	875215.3266	92030.37898
3-Methylhistidine	118948835.6	126305595.8	82629473.39	89395191.05	58066904.84	152061416.2	87925789.19	140830172.4	67321847.08	75843430.74	119580631.7	136690280.6	91101568.05	58370587.37	114833995.2	138437642.6	120382607.3	88835569.01	104763310.8	112926889.7	176308327.6	133676365.6	107374178.4	86919851.2
4-Hydroxyproline	3027212.837	3578912.015	3161369.043	2548758.943	2307952.772	5923207.653	2667953.181	3617112.088	2355887.513	2458125.369	2220157.371	16580573.66	2643989.004	1733865.208	2426707.973	3594413.484	2436170.826	2905826.801	6571368.313	3196081.97	4993209.154	2839306.352	2171037.347	1971405.778
7-Methylguanine	6101954.126	5174771.715	3456814.963	4972253.712	4375475.811	4868750.166	2460089.885	5482797.368	2984328.711	1689196.481	4660111.214	2738219.741	2809551.83	1867017.784	4174875.701	3268058.634	4621670.571	3419721.581	3965997.976	3644422.736	3042268.776	2643305.413	3058233.426	2557603.611
Allantoin	32228364.82	16023568.65	14422209.27	18520366.32	13388438.77	19069403.43	13541267.36	19767754.15	18046126.86	10521928.22	15660737.55	17053320.99	10636313	6281827.017	14029577.7	13900453.02	13086879.78	13774261.15	15429042.59	17045905	16351161.33	12874357.11	9415934.177	13086306.68
Allopurinol	122541.1753	127559.4354	93148.96561	74135.50156	60228.1311	186262.3341	143025.2834	152092.9138	143572.7363	73068.80204	158269.6027	178203.293	109620.946	67107.34208	141715.5464	142501.9269	149688.7821	98246.55898	153537.2476	209769.8792	160044.7832	93173.63562	110284.9213	99335.75586
Camphor	855222.3441	674589.0678	1980114.41	2454936.816	1652176.137	1858998.234	2076090.643	350630.7383	2629460.174	639243.2194	717215.2683	275635.177	365431.2711	237530.9656	2045151.299	396694.9642	581255.8454	243767.0464	251883.0126	402538.2891	307051.1209	136532.9193	1470350.235	449449.6229
Carnitine	697038929.2	800007894.9	1007246426	961230047	857056858.3	1402482088	1189692071	1038381145	1420456361	1050359461	916551750	1052688712	765930210.5	591010058.7	1498728717	1631150520	1273058412	1141886389	1324755366	1380010593	1320879699	954532884.5	1097229579	1000930151
Citrulline	3036640.587	746746.2821	1042856.554	1426275.622	1018051.795	1406159.112	1198012.198	652808.3642	1796749.383	1529070.252	1166961.333	1737104.58	817414.9065	713492.7425	1102561.199	956274.6233	751810.0646	1056669.095	798665.508	1231900.728	1078694.884	1278645.861	590802.2663	951530.6518
Cortisone	322674.3257	510803.0049	2382936.179	1195780.205	578638.9607	122295.1156	204790.3546	304114.6777	25554.40386	66957.15669	166141.8263	206996.4496	231847.4841	247165.0451	254938.4471	163323.5674	201944.7102	23936.89444	106091.9293	95799.32398	182133.1563	291182.3475	24614.4316	21759.08115
Cotinine	27550179.17	63773959.9	92619814.54	81264092.64	72274457.94	90223481	103520471.7	153209729.1	76617698.28	4082008.824	103459582	109424453.4	114460515.9	128158047	65895147.54	64520903.44	64185820.66	128405843.1	83565785.76	153342995.2	94176388.09	93086686.66	152721798	161467071.4
Glutathione disulfide	20192067.7	30982418.88	17299820.92	20252487.32	25030398.28	19574869.84	7042536.345	6664268.145	16393274.39	16615726.61	445599.3286	1624670.248	285936.24	556018.7103	5135361.183	1530532.684	2149082.425	1637117.418	1281408.229	2586286.229	656052.3398	2105426.04	122155.6431	179599.9042
Histidine	8331801.965	12593223.03	16761760.1	16671136.97	13629175.68	20044490.36	19878607.92	4749939.276	27433932.35	9006863.276	15969217.08	15113337.61	16842283.47	12494817.99	10675546.55	24057663.2	7922836.311	19852302.18	21000753.21	8233317.276	9279069.518	13909613.87	11637144.37	15940633.81
Inosine	10497402.49	11327025.02	8840601.727	5686634.98	4945857.911	17757202.96	12653583.82	14176641.49	12340760.37	6987029.851	15391575.82	16124298.54	10011573.21	5360351.188	13152168.17	13358494.68	13723801.14	8260899.247	12748233.61	19477607.27	14516966.22	8985300.731	10043627.9	9413128.472
Isoleucine	8773542.963	4049701.504	7562201.136	6267949.508	3643700.591	10543931.81	10128483.61	7712779.556	15192978.43	4515054.2	7062774.883	10368832.5	5076523.076	4909144.116	5809961.301	6233739.877	6653133.565	7449455.739	6823447.545	8719727.979	10146211.85	5664184.567	4112605.208	6533463.857
Leucine	15297914.87	7214929.562	13541433.96	11531988.61	6849340.23	19911913.97	17939786.87	13327911.41	29636813.61	8290004.437	13007489.89	20213248.13	8501820.195	8828395.517	10072279.69	11312695.74	11124129.09	12782498.76	11268484.93	15404218.72	17738093.31	10214640.56	7653025.206	11302589.7
Linoleic acid	13142129.5	9295278.522	8195486.069	9913783.628	6807137.264	2521912.345	4478754.96	2495569.135	13800856.33	492132.5558	4426105.847	4004334.536	4695794.272	7848207.896	6019880.617	2241636.194	8227068.886	3383931.129	4012091.765	3235366.959	2886819.452	8293152.223	2963844.598	2078772.506
Methionine	5628140.06	4932249.376	7041015.122	9120753.984	6188658.783	10106100.18	8597282.918	7073745.052	12337817.93	7529727.716	7514810.092	10344515.22	6484736.18	4702695.435	7492169.645	4827532.359	5194327.921	5164120.328	5856604.158	6982635.829	10354737.31	5341500.053	3588631.291	4669479.251
Myristoylcarnitine	4425020.785	11403886.12	5146093.144	4264258.962	3032536.852	3541730.542	1570270.108	4102084.045	4141386.315	361601.5799	1114815.144	1555161.578	719513.7423	834449.3101	2369762.693	2089369.824	1917371.306	1849599.329	1155813.464	1937908.09	1206564.341	8203667.578	3448262.454	759323.2364
N8-Acetylspermidine	19270630.05	8610023	6406899.047	8503129.386	5305214.661	6697502.497	4362674.016	12230881.31	10194990.57	602734.7502	1496498.92	1000902.232	6617934.733	5794798.83	592797.7647	1975482.776	2772754.317	1142776.466	1249366.064	3078289.532	8557798.241	1916985.848	4127839.268	2317455.067
N-Acetyl-glycine	203141.6794	186511.9785	111503.1649	249875.2915	124301.5878	186142.679	127556.8167	285590.3473	174914.8268	107345.9466	144174.9723	126390.3275	107636.8489	121691.4773	144160.5352	133706.5176	297896.934	139090.1701	106182.7841	215327.9622	159214.3214	178942.3088	164429.9175	122229.3122
N-Acetyl-ornithine	763038.2133	627475.0293	369854.3345	416659.4979	412892.8349	619130.3267	355611.1358	370471.7253	286068.6286	385543.2959	354225.0972	919485.2509	240678.5406	160168.5189	492363.6538	366054.5945	550192.6804	499498.1425	830756.4124	659177.8531	1414919.107	1457982.361	1411494.745	1421128.455
Nicotine amide	458215502.8	408436559	258749942.8	163583011.1	319838120	308131570.5	180170481.3	236000165.6	387987350.6	101111415.6	174755708.2	91429409.81	122723171.8	190313712.9	159787341.8	245593142	129009000	184438907.4	109850558	271681608.2	174994962.7	152479578.1	244742685.8	154447937
Nicotinic acid	20418296.07	1774546.932	10815528.02	12515179.02	3566324.273	7602186.646	9657907.912	1800751.297	7883009.954	4408350.211	6704606.717	21654844.97	3709588.094	1035618.366	4601038.511	4282866.081	2480458.608	8059999.219	10198573.37	3398092.15	34720683.76	4413959.281	1939044.51	9542102.663
Pantothenic acid	7718069.051	5892683.296	7247456.96	6450598.819	8876134.712	12325949.41	8264963.17	6086009.037	10110266.63	4207907.204	6725045.764	3856602.525	6240698.776	3991781.648	6772821.052	4249210.797	6768913.769	5478240.458	5987974.343	5941292.802	5423108.292	4164415.579	6213748.496	6266612.766
Phenylalanine	35319533.54	23113565.34	33737576.01	31201698.11	23000187.19	42147410.66	34492545.39	30313719.24	46153106.41	19586641.05	31044738.02	36952195.5	23777619.79	21370194.65	31512714.85	29921339.43	30375146.85	33826114.44	33445090.07	34375763.73	47873235.9	30952390.77	24300156.28	33983117.94
Pipecolinic acid	14969023.81	24828706.86	15966308.18	23948143.54	15218042.5	31832998.7	25017955.91	16134499.13	22688140.38	14226284.8	42973217.98	32991522	25319500.27	26143288.39	24413950.36	30091794.34	14775249.9	45247714.49	21098269.9	44508769.91	14440980.98	32177778.35	24633381.96	30188057.87
Thiamine	9963919.617	13354344.75	5679564.327	7553280.359	6586017.655	14615617.09	6243540.382	7799903.462	8933381.06	5310536.901	10183174.34	6832858.108	5851901.243	6310444.054	11401529.61	6315433.018	7818563.455	7139351.898	6217937.283	5213171.068	5305866.104	3934647.666	8037505.138	2644358.912
Trimethylamine N-Oxide	3615440.672	1041537.865	425403.5025	1118377.047	608676.1545	1757249.803	527944.869	782201.8788	372242.8597	1850943.432	1905525.437	3127999.66	2637151.189	532927.8747	2045380.128	1848572.249	546357.4485	66827857.94	7581299.553	1330420.191	1539261.487	7207881.515	2438112.778	6939901.925
Tyrosine	12132652.04	5727788.252	13932813.88	16292701.37	8427150.735	22662807.06	22425129.79	11163691.16	40620104.69	14302957.29	11458690.41	18181696.96	9589275.258	8793545.867	9310220.844	7912597.144	9490457.901	11948794.3	11672840.15	12030528.67	29227041.94	16583202.16	7441187.967	10566628.37
Uridine	15415270.85	13292919.39	8725392.88	7841152.385	7710618.463	12324200.58	8544880.332	13564208.06	6585996.193	5709168.672	7467436.356	8652713.693	7980938.194	4579014.707	9330980.941	7044903.543	9898730.369	5080561.176	7391207.688	12222631.62	8763204.043	5016969.95	7867949.019	9945856.093
Urocanic acid	249397.1891	333258.3917	207773.066	450495.5187	269289.4854	300114.1523	140494.159	119767.4583	326484.0321	291041.8246	308214.9206	296111.1167	129335.2637	113236.4699	159770.3726	335818.4519	218689.1711	299930.1136	239919.1595	141407.816	526622.4131	214692.5454	520687.4261	518213.2511
Valine	8554167.982	3867809.205	7457974.026	8623287.575	4936309.499	13771808.59	10979386.39	7068951.267	18984079.26	5938272.349	7730878.417	11793646.91	5828578.411	5253880.856	6716112.466	6553554.658	6944403.55	8037724.092	6848215.496	8703306.876	10531088.96	8328821.715	3962910.828	7229948.243
Xanthine	10623799.83	7714187.812	5119191.713	8332807.323	5425177.145	7147293.703	4844122.041	10067848.73	3720063.455	4302873.917	6799832.39	3905488.318	3874834.222	2216833.734	6617105.965	4458012.786	5722962.212	3927181.694	6200009.086	7753480.413	6812554.967	4010035.077	5000084.496	5323617.427
α-aminobutyric acid	2346169.741	2815328.175	2491975.413	2903847.977	2956317.306	3756297.747	3209803.035	1639216.812	3561483.333	2549285.795	2981273.597	2230358.161	2184267.095	2313591.097	4057679.694	2300525.878	3494065.739	3133193.087	2722062.975	2101107.351	2671431.512	2177869.846	1630347.003	2509054.66
12(S)-HETE	7332549.092	22727765.95	1583553.599	635392.798	1842067.176	2743874.226	3198673.118	1833605.09	4681277.123	932924.6815	1700991.157	1363470.66	446880.474	321936.2271	2759951.652	1231815.357	3440032.335	730889.3222	758215.9204	3177750.474	1489734.952	3631796.507	1436460.233	525408.7246
2'-Deoxyuridine	589699.107	801106.5637	326647.5445	276596.7257	361692.1153	431925.8825	180927.5315	678338.4532	228660.3542	107461.5763	164275.1113	362777.7926	149826.6566	69861.08011	257406.1379	155825.5874	139438.0531	122706.3866	145987.0225	378564.9664	310319.7837	209548.5809	176105.2088	156330.8096
2-Ethylhexyl sulfate	2430883.645	317434.4715	522181.8808	202972.1191	649036.3899	79905.41548	61419.2061	147786.2947	43256.43844	68104.10929	64769.21563	58576.18696	94058.68669	68718.86591	79782.86039	90372.0398	97199.00627	170111.3322	828045.8134	203762.2219	201512.0456	440299.7468	973808.2429	517462.3948
2-Ethylhydracrylic/2-(hydroxymethyl)butanoi acid	4992676.239	4521654.236	401239.8104	977013.1672	597298.7521	1712054.135	1507431.759	2788919.867	1388375.22	960173.4887	944521.5772	2147860.652	1113167.32	927612.8035	1061363.354	863705.8609	1943220.869	379857.5941	806984.1283	1826646.628	915023.7709	1116416.698	2543915.267	1040935.821
2-Hydroxyphenylacetic acid	362017.1041	212377.1595	257144.2763	188011.4634	190569.9096	428535.0427	148881.8298	162881.5487	202084.3641	206094.1118	175559.4412	201294.9622	158879.2233	138990.8829	178103.0242	199741.6785	166975.5215	151905.8022	159197.8541	167528.6137	215198.7238	167381.7697	238321.0476	154534.0764
2-Oxoglutaric acid	1847685.618	1682637.335	1186338.317	3076510.468	989061.686	1276653.517	3433481.715	1321354.295	4233060.664	792881.5082	2484858.864	2090505.724	2161265.865	2385232.743	4134569.704	1374293.641	3187080.26	1643929.135	2268384.851	1971492.37	2485264.692	1137364.97	1923157.54	905553.1391
3-Methyl-2-oxovaleric acid	4617172.776	4122812.87	2397354.329	3101905.738	2554734.128	9286951.016	2184548.904	2822383.543	1748446.433	3677528.885	1886455.436	3140438.435	1931390.407	1819536.615	2299634.839	1994887.058	1666322.705	1903119.122	1374658.336	3556194.611	2561278.782	2747904.589	2408629.305	2620744.424
3-Methyladipic/pimelic acid	3739452.488	1939487.316	859955.0291	977319.3928	577494.6147	2663826.089	575154.8034	1885590.821	542687.8349	721679.2546	409781.9185	866225.6109	368298.8494	524837.3008	491004.6945	536701.5565	798688.4403	451707.0789	442280.8755	1324510.131	837594.6303	693860.1358	1183550.73	796925.2646
3-Phenyllactic acid	124781.2864	141250.7856	147476.9532	284666.5619	67900.77867	245231.1484	101232.2557	91941.11146	183350.9397	167885.6161	207061.4798	206963.646	96830.19168	73079.00189	220468.6284	173356.2589	172414.0752	141368.2242	241948.6986	118386.5598	295933.1406	203525.2283	163866.5281	190343.8158
3-Ureidopropionic acid	8909820.69	9241945.875	7559243.713	7794395.619	8930804.151	8983615.598	6970791.598	10061525.24	8311905.309	5321027.821	8454174.596	8515523.079	5979924.029	2519342.553	10380393.06	7430686.122	8562224.51	7079526.432	15290424.87	6775582.348	15508491.45	7041309.079	14897843.94	10893770.01
5-Hydroxyindole-3-acetic acid	144125.0538	430434.3941	134924.6267	180985.0067	118770.2267	278208.138	144055.3469	305261.4486	204029.7982	14128.19621	251087.8031	286140.5271	135753.7885	146520.5722	449099.1016	168278.1858	327237.345	150324.2018	185211.8803	254751.4472	389702.0036	118929.4242	208952.1021	191982.9032
5-Methylcytosine	337842.4877	746532.7137	46567.42323	528074.3948	758774.2553	1461895.245	553683.3463	594328.476	460128.2905	286557.6423	1349081.035	286478.0768	501675.724	641704.7509	626946.3443	719614.4811	858068.7717	1270792.56	1014544.16	650905.4829	334513.0029	668081.5066	533633.8058	672201.1974
8-Aminooctanoic acid	13638731.9	11429495.84	7109843.803	9831339.68	6517893.379	11662731.92	14307773.19	11353755.42	24399845.74	11679350.57	10553166.87	11693183.76	6578870.789	10664481.17	18613699.55	7347939.017	11441664.07	4339484.851	3860320.277	10636484.5	15915059.43	11263172.58	3878592.267	9018251.279
Acetylcholine	974586.357	871974.842	777327.5475	1268583.966	843778.7203	1911573.008	1082422.049	1166085.506	1035076.942	2092364.964	844440.4015	1068355.243	710543.336	994582.7727	1560405.795	1490048.003	3051078.4	783762.1678	2045329.759	2081335.771	11490316.54	771960.5832	2296607.845	4561075.863
Alanine	17907679.56	24787665.76	28452179.61	28306400.45	25424948.73	51340650.65	38320787.39	18239455.91	33973290.45	31141212.6	29506117	40636051.75	36013623.56	21664490.57	41537213.42	28612590.39	25499900.97	46417012.28	38807747.19	21990122.94	43328884.41	37971489.26	27346905.67	34331346.2
alpha-Linolenic acid	10379973.87	11307555.9	3384997.438	1744451.753	3101966.441	828555.1442	579063.5099	1812832.277	2288769.314	378017.1886	1119341.742	1152193.458	614278.1811	1518011.273	809926.9652	833178.7547	2884913.813	560135.5709	879612.1472	1750527.225	1487913.761	3260829.965	2174183.591	710818.7029
AMP	2415722.63	2879354.87	4362408.31	1277600.392	6148333.154	6802010.968	7038265.299	2843544.152	3244694.098	7217039.804	190359.6385	488734.5464	506284.5618	136616.5547	181393.8232	1557557.767	119623.8308	2279132.794	738224.0372	2791961.827	201016.3687	7233950.088	8732465.562	5435635.716
Anserine	856.871504	1186.764158	60.41045384	1273.268931	1830.239394	1991.802678	1026.47383	1229.96631	2279.708327	1638.70639	5516.503755	1601.925681	581.9330195	1459.784868	217422.2596	1118.953795	23831.03622	1726.58578	1455.926435	1316.134921	360967.5636	229.1237409	229.9823498	632.348241
Anthranilic acid	1191202.615	484994.0293	702408.0291	737453.4304	522441.0401	733584.7664	491838.4989	1713431.211	843026.1897	478685.2932	509726.4555	447398.5246	445626.2707	510578.4981	494953.0752	295680.0736	478142.983	226565.239	301274.28	334861.1244	476301.8104	402476.8909	282088.0402	402259.395
Arachidonic acid	94875057.76	141810481.5	156923591.6	64475230.67	110400701.9	32614968.93	25062593.74	42283878.2	59475030.86	29270336.65	27469591.61	30458019.96	17200178.57	27114087.23	39167783.36	33414877.83	94373831.38	19053455.02	24223115.15	48094549.62	91920952.3	42461263.72	63374822.11	28959217.37
cis-Aconitic acid	4965011.752	4344711.593	5916995.941	5748044.617	4282423.899	6386556.544	5842169.799	4610546.013	8685909.09	988591.7777	4082646.53	4063192.111	5897159.493	6288524.455	3287150.012	3399135.43	8296841.689	2886655.853	6786077.82	7241539.639	6233922.254	4950233.485	4690150.831	5500646.999
Creatinine	309341.5099	338035.661	126392.2381	112647.564	201882.3882	338243.2048	234138.0926	196976.3922	286368.4796	125997.5752	144485.5986	148813.6261	116072.8349	104248.7531	338788.1044	233923.8131	293323.7504	133934.6259	184938.9363	438780.5661	226134.0493	150745.0753	94696.2607	155519.3541
Cytidine	1677819.666	181480.1743	649308.2665	1331321.53	825775.0963	1151426.945	738706.4358	18362.71647	1009913.04	27900.28027	402531.4548	49578.25329	979573.6787	758488.1302	55710.39769	301925.5524	984583.9809	274280.6329	674811.7794	75541.31727	18483.82432	40096.04709	224181.4166	28191.32146
Deoxyinosine	864236.5387	3007555.854	1456118.546	1075442.911	1695874.853	1317229.856	806296.1566	2000372.42	881512.5504	558911.6747	818274.8982	1267295.282	993542.7432	481245.3581	1018788.703	541656.3237	878483.9644	289539.8486	739227.5607	923347.7866	681367.4169	395329.2416	536252.6563	504195.435
Diaminopimelic acid	121514.3875	221087.3674	62479.08568	97465.395	72769.78001	148060.1604	82790.91465	106846.4145	139842.6991	60496.89381	69478.02974	77743.59078	56140.25103	47990.00212	101169.1947	56451.88541	91586.58642	82669.82194	94505.82848	63170.50082	74756.8044	69696.8912	48661.03494	52675.81979
Docosahexanoic acid	159670790	123536595.2	218146696.8	119419907.7	145202025.5	38560837.25	18373664.29	70242990.6	52772822.62	14446567.6	30815267.93	27029631.39	34442499.99	49984086.69	49953398.76	49724876.42	152123755.2	18434995.12	37601516.49	65667030.98	83670782.84	38382022.85	43110492.75	35951309.86
Dulcitol/Mannitol/Sorbitol	4964213.664	1319126.856	2100549.993	1696180.769	1607458.6	1754974.784	1238617.813	1208919.292	1803295.025	3527439.134	1517648.503	1359365.649	1948770.738	731631.3061	1310581.435	1380214.561	1838984.138	1319291.893	2352229.998	1648763.94	2481919.203	1785638.993	1847035.507	1524308.016
Eicosapentaenoic acid	8331163.953	13144757.63	7915828.366	2539881.215	6308947.953	1338593.455	982001.58	6347981.441	2618642.471	3270873.025	571447.1921	3772227.639	395849.5993	836210.5557	1663845.412	1445819.715	11441094.77	953568.0087	1664969.517	2979852.071	6980862.567	4782439.925	5161267.955	2091718.079
Epinephrine	12105368.74	5496332.321	14645143.1	11263570.29	17657240.49	6649559.171	3362156.968	6933404.229	15750453.2	893050.1689	17382813.45	6825952.938	13727433.2	4877656.418	3661078.409	11015961.93	18853734.52	8583226.059	2280633.885	1883853.921	8415814.945	7853787.577	25027978.31	5890423.24
Ethyl vanillin	3138912.109	2179353.028	4057540.165	2706983.055	3720848.011	4193098.912	2242690.342	2462629.895	2841371.072	3093116.381	2587227.529	4350717.294	3132051.931	2762570.616	2924017.185	3067926.293	2495737.971	2938509.355	2117566.457	2898916.241	3401152.357	3120662.092	3378514.398	3556549.952
GMP	470309.4502	511699.7554	744425.9129	550627.17	854199.0599	1304255.288	986270.7537	874181.2272	695746.111	624597.3565	199263.3901	364363.8623	451650.0964	287282.5764	307826.14	529600.3314	283860.1873	790974.6958	418890.4182	862979.4699	398289.5044	1143194.124	1897406.482	789714.6185
Hexose	513860467.5	265736178.5	331808176.2	289802986.2	255195845.2	394232708.2	356989555.1	255639601.1	352479867.4	236684281.9	334639178.9	315849092.6	372845040.9	390670327.4	288503323.9	336312415.3	403926843.7	321712763.6	397165551.6	532683069.5	325475944.5	364092670	413817606.4	359528197.1
Hexose dimer	3050307.897	2702986.772	719232.799	1298556.31	975709.9722	1953528.177	685389.0659	759302.0791	819445.9652	1441267.821	2337365.44	885592.8338	874651.7629	643728.9841	1949064.59	1822445.886	908626.8046	2293583.941	1767315.713	2417693.883	1034578.471	2739533.958	1442485.564	1059485.419
Indole-3-acetic acid	1127212.968	1529726.162	1435095.166	1182333.772	727565.5961	593115.6143	675486.261	356043.2389	1432754.961	419078.0359	1427024.431	2659697.296	960657.6556	381725.2229	1118311.292	537362.881	416016.0757	467867.984	648762.2972	456575.6719	1073178.572	1074039.376	414840.3052	489981.3663
Indole-3-lactic acid	190219.1868	136846.5075	163586.001	199819.2402	98262.97487	127613.9637	193632.3577	141171.0705	571540.4824	214809.2533	167758.2115	379546.7916	157653.8922	131330.3538	223622.5421	144708.4592	182934.8245	143330.1904	208286.3676	231653.334	499270.982	333604.8183	246694.1584	122734.0983
Isethionic acid	13627102.98	1752763.399	2846384.566	1882562.864	1439326.819	3493984.701	2520717.495	5756257.426	1566656.212	2361333.852	1691610.558	1000619.543	1624360.289	1462927.886	1092869.28	1960376.228	2322117.111	930564.9768	2464397.49	6348313.285	3646886.297	1183813.387	5131165.645	913841.6033
Kynurenic acid	1130807.552	1594801.104	1794412.287	1775263.72	1845890.775	541349.8414	238578.1708	497540.2244	261173.0033	328536.998	254270.4401	471332.6495	578053.7302	405350.3588	377567.0019	422701.5217	729041.6576	885234.4201	974296.8399	295448.4224	443817.4684	716019.0808	321672.3004	772483.7272
Methionine sulfoxide	1240091.022	854048.552	2606624.275	3263031.691	2599201.133	3470847.115	1405480.331	1532085.487	1674631.087	2765488.843	1132364.023	2032650.675	687716.3975	576486.3024	872916.4392	1563122.243	804382.6502	1368535.679	1515608.665	1334700.591	1328882.024	621755.7029	546592.7483	872188.1334
N-Acetyl-alanine	12111533.74	16438157.68	10338846.64	10644249.05	16292979.41	11697181.6	10260878.22	8873171.533	8216992.784	5940267.918	7875995.734	6109872.487	7467745.006	7495341.24	6212444.961	6716786.737	16144809.03	7105047.979	6405748.954	7759294.765	10858970.16	5529094.253	9306704.15	3542189.416
N-Acetyl-glutamine	633548.9932	333232.9098	218274.3625	257432.2918	287725.5884	644417.1313	530156.6629	1244123.235	761561.603	398781.619	441249.9651	274420.7453	350317.3436	363312.2402	758182.1835	521425.0862	405238.9418	551860.8197	673466.1026	232762.289	292637.0702	474819.0177	161368.1093	368022.3286
N-Acetyl-methionine	529360.2855	328069.2518	839448.5124	1530471.524	630261.4537	1122478.233	814608.7712	771345.1196	1161551.767	258674.7405	664944.6766	537255.4928	697144.1683	472731.738	765122.1562	397425.9762	571155.4831	745203.6043	784328.6461	372327.6924	687299.9522	500647.0317	452818.0628	589986.733
N-Formylmethionine	230570.7745	260075.0587	152084.1716	256610.8641	189600.0634	371427.9782	211439.5376	311827.9848	243510.0047	104754.9448	168710.2088	172551.6007	160783.4788	121591.7729	289083.2784	141228.3075	211794.1757	192806.3065	151539.2955	201917.0104	243129.1683	148468.0784	120079.0844	130779.7366
N-Iso valerylglycine	381153.3282	241376.7247	463879.5554	485818.5184	551371.8913	884817.4748	523743.9556	448851.2891	989995.1364	392695.2612	575979.2474	549319.2877	401732.3072	280060.9126	619286.8998	378423.5566	399210.7754	775710.4714	543407.6654	307601.0825	713905.444	1134508.938	182541.5695	488540.3349
Palmitoleic acid	514751.844	235897.6108	82051.91663	82020.75385	127511.4356	21806.0805	82997.61848	89406.33396	204228.4498	5135.115586	57718.66976	57597.9456	18634.27589	119181.2903	138584.6204	64956.52371	182314.9098	47557.06865	80392.29366	44413.6882	48146.47036	196281.039	45746.75939	18016.71188
Rhamnose	2242615.293	2957924.773	1801455.037	764353.8529	1641767.536	3279984.554	2640150.574	1773006.64	2161835.187	1984101.167	8793691.332	4026692.02	3502247.379	3489425.491	1590523.019	2975679.342	1569908.208	1534950.954	2784963.135	2098971.496	2563372.707	1748589.504	1721126.739	1146415.282
Suberic acid	4147001.197	5623786.589	1755462.934	2299231.328	1462587.132	4984163.403	1179395.502	2427606.994	1937785.121	1334101.639	948717.9828	1359359.32	764283.896	1027444.771	1233001.67	1184971.12	1880477.731	1024520.424	883138.3896	1615284.128	1188109.686	1380256.666	1832364.637	1379978.254
Taurine	86405433.77	51828701.01	41000387.19	34891373.23	43579321.03	73622254.93	65626701.88	61430564.72	112719161.7	39241629.96	53707366.07	45353612.3	50483961.19	46873256.16	88457867.23	79775905.9	68346224.39	57849208.83	53660442.1	91410238.91	62058199.53	39930480.88	50906313.41	45663536.67
Thymidine	956947.0149	792901.3733	642961.0105	617068.7377	838670.199	661612.0311	361058.3459	555732.719	651280.8286	123388.7345	277227.9275	407132.0156	328381.8644	269382.8782	247465.6374	211172.3243	227408.7959	152642.4137	191401.4055	374420.8063	263455.9402	221954.0471	213111.5711	136970.2288
Uracil	1996159.947	2083392.774	2518700.707	1670026.302	1340298.583	2295788.698	2240653.738	1206621.859	1906352.901	702915.8224	908688.7187	1025074.836	1481549.365	847547.491	1752455.338	1482596.745	2102775.911	1566271.622	1853196.489	1120773.371	2903654.917	688148.202	6179460.492	1487529.243
Urea	42304293.09	27555857.57	23168477.65	29606441.35	34246880.66	52301859.87	37426195.15	57729718.73	40118267.56	18270578.39	32023317.02	36328741.42	25977861.84	19732214.31	30885208.73	32811057.54	29690525.68	28368524.94	24982328.98	40639785.32	40040909.71	25503293.08	23459676.19	23354431.6
Vanillin	1838266.895	1119984.566	2529727.205	2038468.445	2416805.158	2454640.5	1587840.38	1762017.019	1549126.571	1750910.194	1827471.644	2764805.348	1822971.786	1852955.701	1551130.551	2125534.619	1607902.919	1800761.938	1322012.244	2222835.34	2073487.122	2023969.638	1960189.878	2374720.36
δ-Gluconolactone	367048.9973	255976.5804	235718.5309	384694.5889	131938.7302	504133.3917	265243.7472	307230.7823	219959.9284	90508.94254	126899.4875	136801.513	182058.5153	164837.0372	76094.67098	113555.7714	239278.5349	137297.7143	229625.8982	99035.95279	75492.53071	65747.5918	117526.8388	125934.723
1,2-dihydroxyheptadec-16-yn-4-yl acetate	1374963.083	1142698.498	732034.2229	1655093.895	1293758.237	1740603.867	740143.75	1158748.424	1173097.188	305400.2098	1673585.212	1498281.594	1316187.831	852465.5131	720489.3107	1374333.951	814516.9235	1363331.053	1142253.438	2282406.666	919019.3754	1794880.933	1341599.045	2427746.106
1,3-Diaminopropane	1921378.212	1726488.816	2547625.98	3413181.445	1561059.286	2407564.041	1345023.818	854256.5769	3868481.864	2846767.358	2370547.703	3993452.245	1625538.412	1104750.779	2386682.093	2136759.274	1582110.221	6909012.955	8014644.914	657951.7704	1326362.533	2075880.399	36772.80638	3960714.295
1H-indene-3-carboxamide	2322384.151	1948671.131	3127097.91	2961888.386	2215386.967	2996661.168	2988980.52	2247235.786	3893070.138	1702214.152	2675926.567	2370195.311	2642554.967	1814052.392	2738962.478	2281704.016	1814532.11	2365704.51	2494002.675	2974273.146	3203070.201	2585646.179	2351141.385	1901483.801
1-Linoleoyl glycerol	59776585.96	57551666.68	26143962.86	22043463.96	18854881.15	17332807.11	11619774.61	15916290.06	32975418.77	2882910.535	16325663.63	9297260.574	16702841.62	7220344.372	12959266.6	14750023.16	23803259.03	10962701.6	7815044.016	17789447.63	15700186.91	69655047.55	30858496.47	8508141.525
1-Methyladenine	4231108.21	6762710.901	3518549.388	9504192.963	5550164.241	12879888.1	5285444.526	5135594.079	9321782.573	5486473.669	8082152.966	4199548.043	1204010.905	1520107.748	10285873.72	5073040.148	7240921.974	10974106.94	9086957.019	4241740.01	4755459.485	4822283.927	2165533.215	3363851.816
2-(acetylamino)-3-[4-(acetylamino)phenyl]acrylic acid	1903076.924	1233262.008	2300151.72	2229058.14	2258289.491	1979577.36	821125.9113	443701.9098	1419155.203	736622.7307	1646260.763	1529988.138	1283106.506	462516.7573	1576643.565	3334309.628	1068580.728	4789620.719	4018284.708	2752320.844	2671893.406	6199224.524	435432.3626	1876335.891
2,3-dihydroxypropyl 12-methyltridecanoate	241890212.5	215971392.6	171432793.4	231624485	298326987.9	154598172.3	126620699.3	181608242.1	207675049	36261494.28	153528164.7	187391765.3	166637813.9	111888641.2	135762384.2	168171207.1	174521775.2	141352838.7	129395315.8	184555999.8	138561521.9	419111510.7	244118536.4	216705007.9
2,4-dihydroxyheptadec-16-en-1-yl acetate	6539796.09	3526516.139	3442278.195	2656369.28	2754501.526	4317115.389	2638756.409	2782281.082	1709468.59	1332595.122	2750178.314	2683884.948	2034407.021	1360267.275	4162633.253	3232896.896	3811901.073	3691206.376	2438060.924	3299462.173	3939398.694	7019152.982	2581510.106	2402920.535
2,4-Dimethylbenzaldehyde	545440.2433	1665708.393	2866991.976	2155976.225	667654.2576	2044134.967	3016373.512	605469.9464	572208.4158	412220.4118	1314071.349	843569.4705	912730.2183	1248506.849	340462.2431	315131.964	258657.4558	1106955.214	186278.9224	3738822.673	696698.4316	268166.7141	653887.4116	1355046.767
2-[(1S)-1-Hydroxyethyl]-4(1H)-quinazolinone	265964.1095	471452.4142	820597.3429	815051.2579	634037.2189	865738.0804	1046675.826	1715466.248	722525.6952	54507.95003	833896.9034	909348.6657	972462.0353	1209205.84	482199.1449	472836.4221	462059.521	1109858.17	670440.1661	1465829.839	820360.0883	757523.9108	1456599.351	1596984.604
2-Anisidine	1349684.779	1113410.761	1464706.784	1346152.305	1423510.967	2574576.418	918671.1458	1259144.934	1086122.288	1345197.116	1546746.946	1568862.866	909331.6498	931557.7638	1258629.15	1399005.46	874458.9183	1140587.677	695321.6676	1225654.387	1076405.366	998254.182	1401358.179	1332766.441
2-Fluoro-6-(4-methoxyphenoxy)benzonitrile	559000.4085	827835.7748	937172.1919	694805.5254	970946.0718	889630.6615	555877.4036	598603.0856	916797.9721	922374.5484	456368.8674	420338.7514	98097.08723	231656.1656	554828.2346	451420.786	642610.3088	362232.7227	432151.8113	369578.0994	352723.4782	508345.1315	163377.6123	452584.1856
3-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol	2515732.626	1506583.517	1591270.678	1441955.909	1821953.031	1078984.438	740432.5482	880042.2643	967056.9416	716185.6844	660700.8438	892269.9583	809665.7589	589545.2339	826378.4451	1765577.914	1497753.811	837404.5854	1689215.736	2634414.803	2974157.916	2010388.165	2321721.151	1155103.981
3-(4-benzylpiperazino)pyrazine-2-carbonitrile	1128180.857	1275473.611	3183914.771	3265086.965	1598630.75	1143209.968	768727.5362	815195.0029	1256480.644	579067.7823	1313730.006	951432.1587	500242.7509	348451.2384	3764692.421	952064.7588	463821.6854	747083.7583	1012223.942	726546.743	782882.3019	1411625.442	504788.355	1282843.657
3-(tert-Butyl)-1-(2,4-dichlorobenzyl)-N-isopropyl-1H-pyrazole-5-carboxamide	41556.15885	45966.80116	42478.65773	46029.44356	36227.76168	47039.52498	40450.25501	41712.05295	40984.19248	33568.94028	38269.18729	43981.73659	39288.58106	38168.775	36567.67925	38076.51497	36490.48204	35801.9199	42659.81477	43848.87789	38789.94177	50302.15965	39883.3539	38196.44876
3-(tert-butyl)-1-methyl-4,5-dihydro-1H-pyrazol-5-one	1173695.019	722552.8897	1121900.096	1028405.534	1211278.841	2181287.916	729638.1491	886576.9576	786680.0147	934356.4578	960881.6447	1191426.71	813153.9092	786670.1503	834235.0242	1012793.553	685380.447	975209.8239	672423.1679	1029247.354	955139.8762	840205.9216	990130.4477	1125366.707
3-[2-morpholino-5-(trifluoromethyl)phenyl]-4-phenyl-2,3-dihydro-1,3-thiazol-2-imine hydrochloride	443578.8273	832154.8454	2147767.356	855119.6217	1459289.249	516893.6118	734433.692	1014734.911	1093343.315	250169.8146	667435.7614	757831.2204	714032.1641	561489.1739	597200.5741	769242.4569	888330.9988	832468.9025	567195.6196	874856.3462	718202.9984	2086111.28	1143314.918	971655.3403
3-benzyl-4-hydroxy-5-(4-hydroxyphenyl)-2,5-dihydrofuran-2-one	393794.5762	388646.2887	409041.7539	391357.1822	437732.2523	313856.4035	323487.7456	303592.9013	338952.7057	287682.5076	405603.9047	1490634.73	211122.0553	262226.4406	316614.3081	247902.0525	271321.0564	270039.7596	236489.0683	265140.9271	252826.9406	355244.4903	313110.6785	244944.0281
3-Hydroxy-2-methylpyridine	1010690.555	524894.3962	1316053.017	1067238.596	1085212.537	2148983.506	695629.3863	974722.1067	847870.9481	1108601.53	1175715.855	1223033.225	632047.7571	893829.0751	1012127.742	1073340.914	568824.4751	867125.7526	845336.0444	986569.43	896976.3552	655644.0591	966166.6718	1083913.072
3-Methoxybenzaldehyde	5404239.313	3122701.292	5291290.57	4599197.082	5383444.371	8108014.794	3918379.816	4884555.907	3978577.933	5062399.829	3993524.647	5964468.444	3835148.354	4504439.801	3941159.746	4315637.288	3251240.639	4436989.693	2916222.258	4980074.15	4403903.162	4477522.582	1866546.384	4521664.175
4,4'-Bipyridine	1980312.858	2111007.825	3094477.174	2603225.074	2219662.37	2550748.88	2272162.888	2190620.519	3311579.269	1603228.789	2524799.832	2553420.599	2292611.597	1583572.542	2107884.238	2112918.394	1680512.106	2263179.69	2210786.195	2740302.546	2820150.279	646690.2899	2111851.689	1869431.258
4-Ethynylaniline	11144738.59	10734785.88	18773683.8	15799150.82	12154378.45	15766989.02	14433579.91	12903546.59	20561622.92	8634374.752	14802714.65	14215579.37	14931222.86	8963780.794	12491495.68	12554709.43	8701670.588	12918715.49	12728629.65	17221878.38	17150464.59	14436369.4	12687806.56	11151705.86
4'-Methoxyacetophenone	538771.2269	593363.7551	1229688.272	3178653.352	1077483.299	259680.558	255341.6363	515974.0957	314126.0299	343052.9221	787227.4701	540760.0284	1730799.834	1112408.105	466430.6844	347254.359	125553.787	925959.8562	528763.3996	498736.0811	180714.1881	359328.1789	1114350.697	600630.5557
4-Piperidone	5441627.27	9645703.068	5074129.095	21085375.28	8100810.61	7467800.604	4404271.343	4838124.479	6411445.397	7916227.933	75282266.78	6021103.002	5947832.043	3433746.873	8426306.765	6528419.49	3980268.563	69816875.32	9746484.893	12037991.71	11530537.39	11611952.03	5088197.104	42727667.14
5-acetyl-2,6-dimethyl-1,2,3,4-tetrahydropyridin-4-one	369477.777	1035425.664	1672674.145	6067905.646	1903293.444	393951.8299	553496.8873	1074648.824	533451.2977	731804.8302	1362892.738	1308954.72	3772294.19	2096113.862	797489.1715	586320.6688	248652.3714	1722415.74	797228.0203	1036691.064	289263.4825	518385.6533	2384991.565	790514.7266
5-Nitro-o-toluidine	26363048.48	31397413.91	18599499.41	17029294.69	16368888.31	46320024.32	19374291.31	49968208.86	48093739.18	15133089.98	19755564.9	20570159.28	19072968.76	27756883.5	29036797.66	50836834.76	35363871.65	36091877.92	25185439.28	48588400.89	42655000.21	12404495.6	39870136.97	26326049.42
6-(4-methoxyphenyl)pyrimidine-2,4-diamine	129013278.7	140035610.4	39955183.92	52882899.29	45346246.93	345019421	169004518.1	247743711.5	64614637.26	149211671.3	69080789.91	97652001.45	90618186.15	47342485.47	201032097.5	92980582.17	69041532.33	96362558.33	71803348.55	152348419	66719955.07	77973558.15	71779429.89	72113133.95
6-Methyl[1,2,4]triazolo[4,3-b]pyridazin-8-ol	4612904.655	5229401.151	821755.0615	6204540.607	5121504.711	5511091.554	4108121.468	2396580.676	4525068.564	1691843.315	5452932.227	3596260.223	4470546.087	2930480.712	7152538.071	3835738.991	6268075.955	5735545.117	6950736.176	3335454.78	5688200.761	4487133.559	2349675.298	2526831.44
6-Methyl-2-pyridinemethanol	1061476.829	751361.4871	1180608.84	1057856.831	1217992.955	2119589.152	745118.4527	1195067.689	882720.7322	1112084.111	1224070.043	1210986.852	765127.1371	713377.244	965907.9763	964297.4236	665046.135	898128.8004	615408.2103	1024827.037	929328.0858	915540.8201	1027488.223	1142796.877
6-Methylquinoline	2277713.443	2335099.935	4209178.855	3383948.584	2844293.756	3599146.965	2932144.313	2650259.474	4384139.628	1846950.395	3658168.888	3296047.493	3344569.737	1733948.574	2849051.186	2856094.643	1854679.361	3298280.308	2664148.636	3929394.751	3838580.885	2992960.814	2803417.675	2745213.581
8-Hydroxyquinoline	82426056.12	28919706.26	39496300.62	67493076.06	92605036.63	6219362.771	6630937.301	6040694.103	9778620.265	4635521.523	6217742.128	2742979.712	4797066.26	4568901.335	19701252.75	10682004.52	8466337.712	24098972.97	21126926.76	18297192.96	26036322.12	20926464.75	17203342.77	7886542.696
9-Oxo-10(E),12(E)-octadecadienoic acid	2323849.354	2692438.086	1096332.2	967797.9494	1058482.242	3382008.922	683087.0216	1789090.646	404086.8546	2876322.018	421026.9457	840898.2266	651479.2524	433826.767	818246.9596	634806.6683	809942.9025	403799.7624	298490.4804	2262610.17	361699.6361	2484800.485	1221676.127	811334.2508
9-Oxo-ODE	3955553.789	4833117.023	1801468.658	3392626.727	2257169.201	6063805.53	999048.1581	2794799.018	1292486.5	2470109.014	1823391.391	2538609.129	2004316.346	1925155.009	1681840.515	1879362.142	1672685.815	1558074.745	1129653.889	7325605.251	1586938.737	3342736.835	1581025.685	3058197.489
Acetophenone	2057135.959	2307052.924	3659379.504	5292624.711	950725.1931	4163919.138	4734530.324	1451367.396	1721727.325	1322441.837	2390962.234	1878526.714	1396248.509	3294436.418	511687.6781	1240487.887	739612.3952	3547004.066	679525.0851	5420060.977	2178656.999	488929.5153	788305.6314	4103543.131
Acetyl-β-methylcholine	33019599.57	18979903.34	19705418.19	16645509.04	12844456.22	43470106.12	26793012.95	12247275.98	33530940.62	10782364.52	9410907.636	13894194.26	7420067.137	5510024.167	17509501.46	46951117.47	17562319.61	13215033.55	45865070.1	34810586.07	59523275.64	14286788.44	21038947.02	11845654.67
Buprenorphine	2548761.088	4140275.411	2894300.295	2459822.571	1993826.587	498141.7674	1305494.141	1961468.912	2786266.105	62888.55084	1295059.026	1392916.114	1566987.042	851471.7933	1097709.284	1318204.611	1530462.453	1401689.958	815499.0213	963608.207	1614934.814	3132715.239	1760813.692	903702.0269
Butorphanol	229212.8797	158250.9297	174184.572	175302.1723	195994.8363	2499321484	816468574.2	240690792.4	1777743916	159417.4859	145333.5702	76830.04641	87033.74394	101194.9351	106878.3987	106757.3634	91820.43653	101607.7653	105741.8054	143413.5604	81251.88156	115287.1711	148180.1247	123601.2342
Cetrimonium	2978198.02	2103667.053	3097005.177	4108036.243	3762937.496	1793791.444	1391224.21	3409107.29	1684927.713	93001.63849	3884890.018	2729128.379	2100634.575	1525399.3	2378887.795	2266829.759	2892106.238	2893483.004	2014911.078	2107411.375	1901491.557	6957178.605	2358807.452	5223021.381
Corticosterone	1562021.685	1239925.483	4269043.533	2366307.459	3878630.863	5879720.08	10420090.97	6223297.392	1035554.897	3169771.824	8975778.042	6109882.452	5340640.074	7434607.25	3061829.439	7306034.101	2928048.098	757700.3205	683644.6791	445646.3654	3474248.959	3542305.685	452537.1864	334014.5204
Crotonic acid	2961601.064	1887871.552	2705885.875	3642651.901	3660591.406	7779091.698	2294936.753	3995825.369	2917724.534	2908997.18	3768846.646	3805836.276	2256113.636	2184572.237	2965200.135	2352190.827	2631959.727	3375252.658	2401166.621	2701301.403	2166837.879	2216873.469	1609062.093	2601108.027
D-Alanine methyl ester	5611924.554	4470910.229	2743828.657	3332403.1	3092505.404	3371880.958	2170867.28	1184900.763	2277982.37	1670029.723	3239702.854	1801756.74	2030177.629	1661374.68	3815800.405	2710599.394	2550315.493	2799279.253	1908669.904	2783655.799	2198234.346	1750459.102	1176044.026	2309873.994
Diethyleneglycol diacetate	2206691.836	2510871.666	827256.0671	1377467.202	1402218.105	5844923.911	1842054.82	962308.1309	963528.3258	3187495.635	1149220.483	927253.536	1142337.461	854289.3739	688121.3247	1022288.152	1192676.733	961246.72	809420.4962	2112544.702	760297.8057	1191333.369	921919.5702	679863.0947
Dimethyl 2,6-dimethyl-4-(2-thienyl)pyridine-3,5-dicarboxylate	1066175.395	1786242.279	991470.041	1214695.693	713701.5051	1215649.894	1124350.087	2056813.098	1383139.582	435150.7054	2845073.485	2182618.254	2998979.782	1782719.897	2870362.333	1635034.679	3033700.458	1545839.14	1702966.801	2357121.364	2967039.659	1125962.426	1456938.145	1084392.039
Dimethyl cyclohexane-1,4-dicarboxylate	5121135.018	3260512.688	6098748.557	4738088.17	5764354.892	4744548.751	3083666.097	4345066.029	3099514.913	4774138.078	4273728.67	5898772.004	3912115.815	4369878.412	4470492.421	4703206.651	3544964.03	4580370.398	3274181.564	4941217.658	4739287.13	4487378.758	5243759.25	5430414.454
DL-Metanephrine	11764604.8	6722221.622	14806057.95	15725515.34	35717324.5	6270062.491	2735062.307	4595711.533	15899139.65	4972677.907	19714712.59	8305420.257	6166895.886	2551497.596	6095014.104	7901177.091	14639780.91	4253717.712	2187096.59	1347916.697	7736488.145	3233826.949	10848552.36	2192316.596
DL-Stachydrine	50487616.24	21693892.53	29085868.86	44130213.56	34418818.83	54793080.49	37015052.85	29063911.68	45514163.75	31879303.18	45060821.5	45907468.15	19035328.87	55497941.27	42527248.69	42006599.55	74192838.18	35221523.47	83211464.61	66558011.74	59088904.59	3191109.193	53829100.51	92751362.89
Ethyl palmitoleate	6857883.629	9300213.667	3428983.032	4653241.637	5223098.78	12339355.73	1651857.319	4651503.049	2122930.334	1436635.125	1812775.407	5088507.343	1958543.219	1824987.38	2664098.748	1520399.738	1729628.429	1504378.391	941572.7973	8734994.861	1853958.957	10892529.32	4166853.953	3636701.448
GNH	630549.4263	500832.6519	866642.2704	729087.4077	1169312.001	1210546.408	395507.1579	488704.8777	541525.7652	387273.7363	497553.0716	590145.3712	728014.7751	371705.6775	618582.4297	698172.6825	428142.5454	611689.3297	347032.9547	743306.4027	471188.8192	542502.9582	739652.1054	633844.4759
Hexanoylcarnitine	9793301.111	17406796.92	7347142.131	9086588.027	10590411.94	9861309.912	10872961.82	10171083.16	14394083.34	2752816.656	11213391.48	8428164.111	6220609.469	6351822.361	14663334.89	16303967.88	18402444.36	8968214.433	11821713.83	9397111.219	4310112.127	19112686.55	19353325.57	8231830.56
Hypoglycin A	17706679.26	10046949.57	12211522.71	9577120.158	4747089.204	17538148.46	4460452.462	17912975.1	3079846.663	4128299.892	8829900.803	2454770.605	8244615.296	5476194.799	3212237.323	9497217.437	6809362.456	4294685.872	4771859.569	7511635.424	6875520.226	6135845.977	9026547.816	4376543.959
Indan-1-one 1-(4,5-dihydro-1H-imidazol-2-yl)hydrazone	59389004.05	64612396.68	18654606.87	16581061.39	17227163.46	210633495.5	59027148.17	13802331.97	31621768.01	55925857.35	21530239.87	50619946.67	55193461.5	29138175.8	12279941.17	56705927.64	28208905.99	39166549.8	24070430.47	61970428.1	39913832.97	36898077.08	27230581.12	22679394.4
Linoleoyl Ethanolamide	577851.0092	3185412.609	1122756.375	1325940.901	2075490.791	1187639.026	2561217.56	868121.8677	5824122.82	333036.5741	1375765.921	1151003.296	1613477.587	1031591.391	2017777.635	1341432.743	1845330.404	1227199.024	709175.5684	594203.1586	454301.9511	778917.2047	495387.0408	623473.3917
mesityl (4-methylphenyl) sulfone	32933191.66	26846992.24	13495485.04	15803975.61	14815339.37	86623697.51	21419947.21	12177023.87	13200577.9	33152232.86	16360960.18	11434847.08	13012498.36	8551445.448	9145830.054	15038594.45	13228645.28	13242054.86	10202585.79	23045347.07	10640830.55	18326584.94	10934626.08	10608527.98
Methyprylon	2081873.626	1833790.249	1382552.398	1464914.426	1308354.523	10051116.8	1024935.922	7692817.686	8616062.289	716151.8598	294510.1083	458759.0114	756933.801	1281575.347	2667955.746	1438278.555	2154513.824	2286730.473	962922.6229	4747246.461	4072368.793	3466238.924	1870053.06	4159370.097
Mevalonolactone	38198030.58	96021581.95	32957157.8	56710541.09	48898841.35	118833646.3	41414730.3	34862013.89	39284022.31	17165739.33	33039185.9	40815785.74	26042088.13	18649470.37	33098190.9	25650626.77	28722174.11	37577673.56	26740896.27	21478012.01	71981716.89	67282123.65	36932102.98	31812259.09
Monoolein	89329950.68	97894492.14	22988526.04	23551200.33	17638924.39	20456171.36	16949939.74	19310660.51	55764559.4	2414366.77	37237355.17	13205874.24	15681177.83	8244956.75	30935570.74	27032018.69	44743115.86	21814799.25	19586684.26	18476233.87	30098628.93	88088895.3	27670155.16	12695334.94
N-(2-Methoxyethyl)-3-{5-[(2S)-1-methyl-2-pyrrolidinyl]-1,2,4-oxadiazol-3-yl}-2-pyridinamine	4875211.981	849685.5206	810664.6633	481713.4717	517020.2753	5589080.115	749689.3843	11528261.77	778949.3201	698385.1446	470150.486	1089911.997	416703.3049	198939.1037	752523.7892	983586.5272	819276.1172	584643.5592	1544639.171	2874251.577	2768879.684	1211345.761	2428948.303	916392.3046
N,N-Diethylethanolamine	2365852.665	1833737.6	1169024.588	1121500.974	1626712.135	7612263.069	1828385.444	1142789.36	1207310.568	2239332.939	1514080.769	2279961.593	1660585.249	954395.4025	715599.3238	1805047.455	1398189.656	1417891.748	923929.7672	2341859.636	1325217.916	1322751.66	1262292.237	1344919.506
N,N-dimethyl-N'-[2-(5-oxo-4,5-dihydro-1H-pyrazol-4-yl)phenyl]iminoformamide	3831416.633	3439423.586	2160811.497	2127986.092	3005099.532	11898108.77	3160793.582	2097326.116	2244099.632	4348504.757	2894889.954	4131624.365	2830189.183	1718112.536	1245744.908	3318244.75	2690290.645	2663719.413	1723646.941	4333787.274	2525649.385	2489433.581	2035793.733	2306860.183
N1-(1,3,5-Trimethyl-1H-pyrazol-4-yl)-2-cyano-3-(dimethylamino)acrylamide	19836158.43	13282537.26	5160099.359	4993623.159	12651263.44	15358827.66	17823355.42	16616012.1	26526607.78	5674621.553	6870505.839	5641638.051	4059897.067	6507602.864	13821415.67	18391454.2	17657736.73	5928390.222	8489505.571	18354896.97	7592120.746	7665972.137	7406692.204	12696257.54
N6,N6,N6-Trimethyl-L-lysine	184247467.4	108634358.8	85243373.42	126550561.6	170615989	199427767.2	119738810.2	143210279.6	138963029.5	134950681.4	154926472	174500633.7	81742811.82	66740798.03	152392872.5	104038664.8	127315671.2	122826461.8	114031253.8	114619979	121120104.5	125229288.2	55250784.17	93479582.62
N-Acetylputrescine	9008992.37	6372533.031	2832691.557	4610868.118	5510064.725	11902067.35	4449761.247	2264328.179	4667522.718	1864165.063	6827695.35	3007508.681	2573547.249	1930942.671	9829619.683	5205807.05	4706242.862	14303378.03	8721800.193	2689421.162	2709966.31	5138001.658	1907078.888	6244990.209
N-Acetyltyramine	10015157.11	5739864.854	12701487.97	13436841.2	30340429.52	5357232.289	2348414.335	3939794.215	13479982.91	4282902.965	16893787.78	7116870.128	5347519.531	2204201.85	5217070.371	6788779.065	12521370.6	3649490.366	1864959.692	1139189.887	6635394.562	2788632.386	9232118.101	1853151.719
N-Benzylformamide	22317857.7	12770296.17	30416606.56	33232159.6	18311497.7	54421426.29	45070731.67	29676121.22	78996307.08	27766463.41	31230102.66	45867936.79	19849311.35	15528017.96	20452850.32	20878605.96	19326439.1	27999686.27	21618091.14	25414829.37	55623344.4	39605208.45	18567956.64	28742968.53
N-Methyloctan-1-amine	10761478.87	4923221.222	3518641.092	5840329.012	4387137.7	15830531.44	3179462.153	4521743.441	2972754.554	3856932.49	4232852.772	3316030.645	3124267.358	2843059.815	2776676.595	3821854.309	2506986.539	3258223.021	2958129.327	4127259.799	1987222.533	2208566.941	5206890.284	6157780.138
Nor-9-carboxy-δ9-THC	3107399.591	2757748.093	6673535.004	8590260.96	10700665.75	3956860.584	4268184.978	3447446.648	713312.215	591836.3606	3500346.44	1948206.616	3932310.091	3132192.295	1373705.958	2931243.469	1631720.213	1591338.195	690607.8985	1107274.278	5837718.353	3051082.907	3176661.482	653623.2592
Noroxycodone-d3	145012995.5	73326256.06	37102076.48	70341023.55	52883495.23	102394386.4	126697116.7	285391175.2	51696541.2	34402725.89	53469892.22	36025754.21	23177776.15	23005952.39	267302013.6	33499629.04	27749350.92	64849559.1	60481466.99	113580544	25274034.81	40584655.19	84283187.87	83922054.92
Oleoyl ethanolamide	1811373.983	14817195.75	3972292.148	1781065.562	4721133.87	1557465.95	1693204.456	1307920.256	5321061.232	233358.3492	2526465.396	1744762.696	2523160.214	702120.3024	2789958.672	2262079.788	3020722.342	2278572.958	1089067.476	507678.0095	755109.5984	1896751.319	1249978.257	832288.039
PEG n12	349047093.5	194661607.4	197240103.4	257789875.1	235649182.4	513765079.7	160117966.4	328613637.7	143966428.8	206782853.9	230419806.6	94797173.42	104987344.5	115860042.4	231184365.3	133988961	106316074.2	126335056	124191996.2	178693393	93341706.2	124631005.1	184465417.8	166350693.2
PEG n6	2017761322	923147600.2	393696581.3	841256446.7	546803782.3	1202240795	1666208137	4338314164	561623101.5	389768665.1	628242145.7	421493263.2	234313349.3	241226842.9	4023097251	292267475.5	283964436.2	725231404.3	728621536.7	1335207751	271276885.9	393947333.7	949984013.6	822205674.6
PEG n7	1730027858	850862639.3	322866826.9	650138103.5	470745727.7	1215473886	1663425000	4159096709	499774274.6	289575140.8	525961690.3	305415444.8	150006571.2	168182132.8	3458982834	208044240.7	214407756.3	581265458	598650117.4	1118686543	209885466.2	301059657	751320196.5	617156530.3
PEG n8	1263996369	630693349.2	301863377.5	550531920	470853188.5	1096990004	1058204878	3275073538	390059780.6	279350165.3	467582344.4	250974113	142229333.3	154563874.3	2596663565	192780955.4	173649022.3	460848378	447368834.9	891584621.5	186966442.8	210639953.6	616944736.9	525856746.3
Perillartine	3068542.973	1831993.594	3889459.53	3168413.282	3567825.111	4207806.587	2487095.549	2859175.383	2555428.5	2716821.184	2861780.745	4057270.161	2687125.846	3012665.528	2892371.224	3469000.475	2292040.504	3255974.259	2213204.325	3404858.324	3333248.266	3117714.992	3669083.557	4050632.841
Phloroglucinol	22637477.58	11351797.43	15260143.24	10024805.38	10901107.25	14647432.17	12095508.53	8549978.7	12575711.83	9215130.426	13841644.61	13194098.7	15657435.15	18055627.16	12439277.21	15449091.23	16005631.42	13582538.75	16545527.62	22590608.25	9966101.015	15672435.67	23247490.5	18696944.78
Putrescine	19135508	17353340.21	30098979.28	40317412.95	20495645.05	24996304.4	31588070.9	14611490.16	31950875.66	18411855.09	56693894.49	34141745.69	15187466.03	7902965.162	41680050.57	17086666.21	56165932.59	43298468.7	62799513.36	10081134.76	31093280.53	14189819.77	474620.378	14952888.34
Pyridoxamine 5-phosphate	3080683.115	4244102.688	5468729.775	4457811.338	3981732.397	4368188.997	4300587.889	3848350.375	5901063.925	3279565.122	4737128.5	4946980.633	5174485.72	3751341.737	3919176.56	4026082.951	3501528.176	4394830.433	3722052.994	5003522.049	5142599.344	4640701.94	3929434.898	4011025.601
Pyroquilon	983159.2485	978514.6197	1817550.009	1449011.936	1039289.323	1414597.776	1408768.536	999345.5271	2021233.294	982542.2539	1194061.936	1246320.106	1366354.543	1040217.17	965402.0661	1023770.593	861385.3175	1152568.292	1284116.507	1345725.899	1586445.247	1387656.51	1086830.36	951170.2713
Quinoline	1070091.147	1170289.247	1574947.025	1330422.827	1303694.47	1595541.325	1591344.92	1033791.777	2158516.151	1073387.582	2119502.555	2154794.13	1769444.691	1135440.495	1378254.257	1628793.299	948574.6003	1792412.563	1551107.671	1655419.927	2117551.945	1495963.034	1481488.07	1337009.616
Tranexamic acid	1785963.312	474491.2212	922494.9344	1002730.916	688702.2821	2721879.687	264458.0832	1192683.258	837889.4007	288375.1207	783125.7438	783941.2947	2187368.9	196055.7037	733181.6701	583911.8036	922524.5188	1593050.24	370248.3832	2140116.96	1804816.68	548979.2331	653839.5409	1123656.872
trans,trans-2,4-Heptadienal	1737874.015	1462445.41	2110526.228	2647606.563	2442268.556	5384345.031	1601253.942	1845915.15	1791405.208	1868398.009	2962369.544	2826947.529	2654692.838	1814215.373	1711560.276	2103429.765	1685849.258	2138134.698	1725703.176	2623293.195	2085683.61	1840485.275	2013912.567	2721355.447
Tris(2-butoxyethyl) phosphate	5162514.302	2434782.388	747246.3335	22768730.57	2152887.994	5445865.741	1367574.359	3789878.713	3414152.966	1664104.223	874990.5502	3567528.676	1125272.181	868745.1886	1726735.3	1294758.042	3292509.829	917453.1405	732671.1184	1767729.163	643318.8901	1496247.186	926690.7992	843607.7061
Vindoline	355139.5669	1239054.753	963224.4104	651830.8098	949148.7641	368701.7305	335587.8791	346981.3189	607443.0122	17234.00051	987009.763	609400.4963	392364.6449	313802.1106	611384.4461	435238.282	835552.8377	329407.2965	377981.2528	244733.9384	443730.7473	1089223.008	226496.7832	235099.7829

metabolite_name
1-Methyl Adenosine
3-Hydroxy-2-methyl-4-pyrone
3-Methylhistidine
4-Hydroxyproline
7-Methylguanine
Allantoin
Allopurinol
Camphor
Carnitine
Citrulline
Cortisone
Cotinine
Glutathione disulfide
Histidine
Inosine
Isoleucine
Leucine
Linoleic acid
Methionine
Myristoylcarnitine
N8-Acetylspermidine
N-Acetyl-glycine
N-Acetyl-ornithine
Nicotine amide
Nicotinic acid
Pantothenic acid
Phenylalanine
Pipecolinic acid
Thiamine
Trimethylamine N-Oxide
Tyrosine
Uridine
Urocanic acid
Valine
Xanthine
α-aminobutyric acid
12(S)-HETE
2'-Deoxyuridine
2-Ethylhexyl sulfate
2-Ethylhydracrylic/2-(hydroxymethyl)butanoi acid
2-Hydroxyphenylacetic acid
2-Oxoglutaric acid
3-Methyl-2-oxovaleric acid
3-Methyladipic/pimelic acid
3-Phenyllactic acid
3-Ureidopropionic acid
5-Hydroxyindole-3-acetic acid
5-Methylcytosine
8-Aminooctanoic acid
Acetylcholine
Alanine
alpha-Linolenic acid
AMP
Anserine
Anthranilic acid
Arachidonic acid
cis-Aconitic acid
Creatinine
Cytidine
Deoxyinosine
Diaminopimelic acid
Docosahexanoic acid
Dulcitol/Mannitol/Sorbitol
Eicosapentaenoic acid
Epinephrine
Ethyl vanillin
GMP
Hexose
Hexose dimer
Indole-3-acetic acid
Indole-3-lactic acid
Isethionic acid
Kynurenic acid
Methionine sulfoxide
N-Acetyl-alanine
N-Acetyl-glutamine
N-Acetyl-methionine
N-Formylmethionine
N-Iso valerylglycine
Palmitoleic acid
Rhamnose
Suberic acid
Taurine
Thymidine
Uracil
Urea
Vanillin
δ-Gluconolactone
1,2-dihydroxyheptadec-16-yn-4-yl acetate
1,3-Diaminopropane
1H-indene-3-carboxamide
1-Linoleoyl glycerol
1-Methyladenine
2-(acetylamino)-3-[4-(acetylamino)phenyl]acrylic acid
2,3-dihydroxypropyl 12-methyltridecanoate
2,4-dihydroxyheptadec-16-en-1-yl acetate
2,4-Dimethylbenzaldehyde
2-[(1S)-1-Hydroxyethyl]-4(1H)-quinazolinone
2-Anisidine
2-Fluoro-6-(4-methoxyphenoxy)benzonitrile
3-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol
3-(4-benzylpiperazino)pyrazine-2-carbonitrile
3-(tert-Butyl)-1-(2,4-dichlorobenzyl)-N-isopropyl-1H-pyrazole-5-carboxamide
3-(tert-butyl)-1-methyl-4,5-dihydro-1H-pyrazol-5-one
3-[2-morpholino-5-(trifluoromethyl)phenyl]-4-phenyl-2,3-dihydro-1,3-thiazol-2-imine hydrochloride
3-benzyl-4-hydroxy-5-(4-hydroxyphenyl)-2,5-dihydrofuran-2-one
3-Hydroxy-2-methylpyridine
3-Methoxybenzaldehyde
4,4'-Bipyridine
4-Ethynylaniline
4'-Methoxyacetophenone
4-Piperidone
5-acetyl-2,6-dimethyl-1,2,3,4-tetrahydropyridin-4-one
5-Nitro-o-toluidine
6-(4-methoxyphenyl)pyrimidine-2,4-diamine
6-Methyl[1,2,4]triazolo[4,3-b]pyridazin-8-ol
6-Methyl-2-pyridinemethanol
6-Methylquinoline
8-Hydroxyquinoline
9-Oxo-10(E),12(E)-octadecadienoic acid
9-Oxo-ODE
Acetophenone
Acetyl-β-methylcholine
Buprenorphine
Butorphanol
Cetrimonium
Corticosterone
Crotonic acid
D-Alanine methyl ester
Diethyleneglycol diacetate
Dimethyl 2,6-dimethyl-4-(2-thienyl)pyridine-3,5-dicarboxylate
Dimethyl cyclohexane-1,4-dicarboxylate
DL-Metanephrine
DL-Stachydrine
Ethyl palmitoleate
GNH
Hexanoylcarnitine
Hypoglycin A
Indan-1-one 1-(4,5-dihydro-1H-imidazol-2-yl)hydrazone
Linoleoyl Ethanolamide
mesityl (4-methylphenyl) sulfone
Methyprylon
Mevalonolactone
Monoolein
N-(2-Methoxyethyl)-3-{5-[(2S)-1-methyl-2-pyrrolidinyl]-1,2,4-oxadiazol-3-yl}-2-pyridinamine
N,N-Diethylethanolamine
N,N-dimethyl-N'-[2-(5-oxo-4,5-dihydro-1H-pyrazol-4-yl)phenyl]iminoformamide
N1-(1,3,5-Trimethyl-1H-pyrazol-4-yl)-2-cyano-3-(dimethylamino)acrylamide
N6,N6,N6-Trimethyl-L-lysine
N-Acetylputrescine
N-Acetyltyramine
N-Benzylformamide
N-Methyloctan-1-amine
Nor-9-carboxy-δ9-THC
Noroxycodone-d3
Oleoyl ethanolamide
PEG n12
PEG n6
PEG n7
PEG n8
Perillartine
Phloroglucinol
Putrescine
Pyridoxamine 5-phosphate
Pyroquilon
Quinoline
Tranexamic acid
trans,trans-2,4-Heptadienal
Tris(2-butoxyethyl) phosphate
Vindoline