Metabolomics Workbench : NIH Data Repository : Analyze Studies

Data for ST003439

(Analysis AN005670): Average values per metabolite and experimental factor (Units:Normalized peak area)

Metabolite structure	F1	F2	F3	F4	F5	F6	F7	F8	F9	F10	F11	F12	F13	F14	F15
(11R,23R)-14,17,20-Trihydroxy-11-(octanoyloxy)-14,20-dioxido...	60923572.43	54138147.89	62076165.30	65496086.55	59829781.68	68882442.48	70853156.85	61962550.25	68612258.93	55391045.48	68515087.70	63062526.63	65231718.37	69956890.65	71332563.66
1,2,3,4-Tetrahydro-4,6,7-isoquinolinetriol	1870068.75	1060986.93	1235902.86	748122.47	2300298.49	1935326.97	722261.84	2060833.56	1677869.14	1796930.57	654851.76	2646610.47	2226854.73	2521939.59	809687.46
1,2,3-Butanetriol_1	788803.69	847241.16	745266.65	846008.50	784496.99	712173.06	859572.49	735694.03	705489.44	753143.21	754341.33	761394.93	694721.89	669732.11	750722.51
1,2,3-Butanetriol_2	16976869.51	18010551.64	17137561.67	19341702.51	19304070.90	19093637.20	21742595.45	14098220.66	14342514.84	14958333.19	14710299.28	17693162.66	19869412.17	14572870.99	18899297.30
1,2-dihydroxy-3-keto-5-methylthiopentene	760280.71	903324.01	830763.73	801734.75	841069.08	932723.71	791012.90	836907.01	880240.56	863374.04	789880.08	853047.66	755987.25	927378.89	824052.79
(12R,24R)-15,18,21-Trihydroxy-12-[(octanoyloxy)methyl]-15,21...	13888588.60	12857765.56	14342739.20	15280832.15	14037381.91	16258000.78	16145744.98	14052161.77	15291411.09	12901131.05	15012633.79	14918836.24	16128503.72	15006309.18	15935082.70
1-[(2R,4S,5R)-5-Ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-N-[(4...	4096956.13	3174930.72	4572002.48	2209157.93	7452078.91	5209792.22	3388606.40	6388170.56	5150858.06	4445057.70	2199563.54	6522994.25	4901142.89	5270140.59	2487227.29
1,3,5-Heptatriene	882251.92	1047265.04	1452600.36	850362.42	1229268.10	3130887.39	870665.92	864194.90	829636.46	1116276.13	832444.35	1059141.27	1148091.72	967699.01	1055580.84
1,3,7-Trimethyluric acid	236944.83	393062.01	253040.41	466922.89	212034.95	227259.28	332481.70	200205.45	153451.43	248893.92	349911.01	217928.97	216702.92	252593.59	391231.74
1-(3-Amino-3-carboxypropyl)-3-pyridiniumcarboxylate	1019537.89	777645.89	976122.92	1788975.55	3236673.54	1592861.40	1502410.05	1448174.53	869166.88	1784528.12	1907045.75	1502780.11	1439512.26	863904.23	3405110.45
13-Hydroxy-3,4,5,6-tetradehydrospartein-2-one	2922381.08	3284593.57	6497940.82	13827978.72	3804465.00	6998801.44	12533531.71	3086143.93	3028220.95	8728688.42	10291297.03	3674532.68	7095766.91	4740961.08	7500585.58
1-(3-Hydroxypropyl)-2-azetidinecarboxylic acid	1368767.27	1011145.98	1163780.66	1031093.53	3227292.04	1815954.95	1194187.75	1902594.41	1210638.95	1342718.47	997314.07	1387077.59	962425.06	1501152.74	1173911.91
1-[4-hydroxy-3-(3-methylbut-2-en-1-yl)phenyl]ethan-1-one	3456594.10	2105421.44	3600506.41	3508680.11	5087191.52	5440850.11	5214633.52	3744444.86	1893899.12	4150655.95	4146654.51	4871745.81	5482595.85	3797104.15	4305127.45
1-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phosp...	7285308.81	6283238.40	7256759.44	9710086.55	6103807.48	6029446.72	11244835.27	7609900.62	10834097.67	6314743.72	12070194.06	6788120.47	9719826.59	7489316.49	10876486.08
1,5-Naphthalenediamine	2873638.17	4036835.94	3075250.35	2086729.95	2799861.55	2853504.75	2121703.64	3035039.65	2203337.58	3370543.62	2148109.25	2566770.41	2445009.83	2674961.04	2138780.46
1,7-Dimethlxanthine	15632236.33	14588776.52	13447134.10	32906836.77	9893418.52	16499358.63	34449384.65	12569549.10	16080278.41	11040938.65	40667849.14	16536899.07	15867389.07	9845296.01	31417760.03
1-[(8Z,11Z,14Z)-icosatrienoyl]-sn-glycero-3-phosphocholine	4128269.23	4527203.10	3860151.65	6043537.58	3659950.71	2714391.66	6833708.90	3944657.96	7343287.86	3390821.67	9042869.76	3505333.98	3407466.10	3668473.93	6436517.79
(19R,25S)-22,25,28,28-Tetrahydroxy-22,28-dioxido-16-oxo-17,2...	553318.57	656005.11	656376.99	577949.94	616000.72	760338.59	568280.42	588999.76	659074.58	610280.03	557920.78	676163.12	803215.62	826839.41	683963.08
1-arachidonoyl-sn-glycero-3-phosphocholine_1	300638.11	400039.12	296837.14	484804.12	291674.49	217265.68	415469.64	286315.15	425690.02	237652.44	626552.37	286656.07	333265.51	239895.71	435446.04
1-arachidonoyl-sn-glycero-3-phosphocholine_2	26210675.17	25577801.26	23168107.93	36047258.60	19641303.84	18604639.90	35771489.99	23918718.34	40227967.79	18297744.08	46165778.42	22958006.34	26699313.63	22664069.80	36253909.38
1-(beta-D-ribofuranosyl)thymine_1	846435.20	863013.03	809552.63	807414.24	1153304.35	940692.55	838072.29	819477.31	840632.61	991699.69	801348.25	943053.06	814746.37	770801.00	747727.20
1-(beta-D-ribofuranosyl)thymine_2	1282333.25	1569536.61	1373528.08	1584067.03	1741878.63	1670650.93	1807935.43	1487554.88	1487763.58	1582399.96	1829052.83	1470543.78	1327568.16	1717292.37	1830925.35
1-Dodecyl-2-pyrrolidinone	68683449.43	106046111.61	49337401.30	62188882.23	53780449.63	52244372.75	64994311.43	60366952.18	39296240.03	60443745.25	60084478.65	44603596.08	20738934.61	45416834.53	38526089.25
1-Linoleoyl-sn-glycero-3-phosphocholine	78899053.90	73865841.69	69702050.02	119613865.75	57803335.60	52763672.04	132887224.79	70126814.85	106837592.00	52482780.30	171746430.49	49066737.21	50615649.77	54003881.79	124448751.75
1-linoleoyl-sn-glycero-3-phosphoethanolamine	1141314.02	974296.67	981664.38	1805862.48	1034958.32	806058.64	2357792.63	1026395.94	1411767.46	759217.44	2272082.51	851034.94	861460.70	779924.71	1955950.33
1-linoleyl-sn-glycerol 3-phosphate	10275155.39	7445008.27	10400453.52	2967230.47	9448449.65	9321995.05	3057150.69	11372141.21	3100102.62	13445839.00	2980135.81	8897759.68	5116866.29	9152003.66	3318389.88
1-Methyl-3,5,6-indolinetriol	1179921.64	3634319.52	1143149.06	594354.50	1522710.86	1823118.52	567912.19	1677918.92	1163021.30	1007249.78	510989.47	1569219.47	1418938.84	1391452.50	739572.07
1-Methylinosine	268831.51	317051.54	271717.40	254403.51	337842.00	318955.82	257189.47	311847.53	254916.97	269858.07	238599.76	336013.47	238360.16	350480.27	267360.36
1-Methylxanthine	290085.53	245726.88	234989.49	700986.73	254880.23	392749.55	700966.77	207375.79	296691.23	188277.83	740037.52	242128.84	219107.75	228625.08	721293.34
1-oleoyl-sn-glycero-3-phosphoethanolamine	402206.97	359088.53	342943.05	577414.55	417293.55	304733.65	769781.61	382444.74	450569.29	301584.43	748999.05	362042.40	341799.46	339670.38	676199.23
1-pyrroline	3918913.53	4774381.59	3450131.26	3993720.81	3959895.00	3926306.15	4471026.83	3862275.22	4316383.55	3966989.25	4403686.81	4053455.68	4344467.62	3693574.33	4384657.98
1-stearoyl-sn-glycero-3-phosphoethanolamine	787264.65	829757.96	745675.67	1421772.24	630919.13	526814.92	1117203.66	638001.61	1113766.77	590068.07	1782046.63	548242.09	530575.89	744777.58	1214148.65
2,19-Dihydroxy-3-{[(2E)-3-(4-hydroxy-3-methoxyphenyl)-2-prop...	9982163.73	13122411.13	9856002.21	11117679.50	10754138.84	8771994.38	10066496.76	10081019.48	12063977.50	8593555.46	10754966.23	9439187.25	9410234.35	8860775.70	10699783.40
2-(1-Ethoxyethoxy)propanoic acid_1	481823.00	372192.42	484602.29	586435.40	601098.79	580219.03	650295.08	482303.37	458240.61	475147.80	563182.53	580813.70	584198.94	483043.45	624530.37
2-(1-Ethoxyethoxy)propanoic acid_2	2155972.28	2239737.43	2112732.84	2294934.11	2124692.15	2000664.94	2001268.92	1971473.68	2051836.56	1898810.29	2016114.95	1925696.99	1841068.92	1757677.32	2018520.07
(21R,27S)-24,27,30,30-Tetrahydroxy-24,30-dioxido-18-oxo-19,2...	1050901.77	1084637.37	918809.17	1068612.23	987744.41	895561.20	1016919.10	1012238.14	997617.09	908503.91	1067086.65	960690.19	1058039.40	900926.49	1020158.89
2,2,6,6-Tetramethyl-4-piperidinol	4095168.42	2556937.06	4205369.28	4956880.70	6435433.66	6224839.85	7658156.43	5786724.30	4095200.48	6076032.19	5401200.08	4092110.54	6176959.08	2220395.74	4273340.28
2,2,6,6-Tetramethyl-4-piperidinone	18503829.33	12862808.84	21170640.87	20405639.15	32349606.31	34253978.11	37833441.89	16980291.85	11715491.03	20127022.66	18328538.25	29138475.44	29954082.13	18819932.45	27328123.46
2-(2-Hydroxypropoxy)-1-propanol	14795321.31	17095338.83	15228325.12	17803259.29	15146115.12	15229850.88	17327416.55	13674421.37	13944588.82	12852244.29	15069930.62	15282845.55	16300227.25	13409257.30	17223507.12
2-(3,4-dihydroxybenzoyloxy)-4,6-dihydroxybenzoic acid	689773.54	671979.04	627119.26	851368.62	632640.53	818840.28	969198.20	649579.56	688145.81	648044.66	735032.71	735363.62	768675.79	658449.88	908099.09
2-(3,4-Dimethoxyphenyl)-2-isopropyl-5-(methylamino)pentaneni...	3575485.54	1695139.81	2185698.87	742860.65	2139428.21	1685044.13	741913.95	3246886.62	770192.19	2491307.32	707926.29	2092211.04	920380.13	1476517.16	740387.89
2,3-Dimethylquinoxaline	281489.22	144696.38	357713.07	130399.89	507285.95	797952.24	133681.85	363985.17	140734.83	1056425.04	127664.41	715276.42	148026.06	129886.18	130721.84
2,3-Octadiene-5,7-diyn-1-ol	1635348.21	2489120.48	1680243.38	1596642.15	1699535.49	1697722.41	1643197.63	1681740.81	1685942.32	1884966.18	1655616.26	1698574.97	1882126.41	1777836.28	1669452.91
2,4,6-Triisobutyl-1,3,5-dithiazinane	656414.07	496023.36	602547.87	588616.64	558387.65	606939.43	577134.65	553094.92	380549.75	539405.81	550489.44	548445.34	480007.44	601658.60	572640.32
2,4-Dimethyl-3-pentanamine	89513.14	52593.53	88892.12	89419.20	151063.73	137339.33	195010.68	84492.37	45752.16	74695.88	114245.01	151647.74	174815.99	72881.81	136353.89
2-(4-methylphenyl)-2-oxoethyl thiocyanate	59016.09	65016.48	62771.63	35680.95	99091.30	71272.73	36301.60	59535.39	36266.18	62604.70	35940.69	51519.17	41951.20	58851.17	37173.35
2(5H)-Furanone	3832165.49	4604248.80	3983832.42	3827134.52	4037624.41	4016274.51	3754958.26	3714329.06	3901453.88	3846584.18	3515959.08	3754450.14	4008538.56	3827612.58	3613506.97
2,6-Diamino-4-(hydroxymethyl)-3a,4,8,9-tetrahydro-1H,10H-pyr...	3045256.34	3299156.76	2757953.58	3246363.19	3212324.26	2699026.67	2976638.28	2952848.02	2642510.86	2926838.18	2922540.97	2985914.46	2687089.64	2510966.11	2944433.65
2,6-Diethylaniline	597033.21	468865.50	731630.15	704960.45	1001250.74	1297091.87	1255316.04	639125.44	408970.09	625768.34	803028.07	1108044.32	1371849.89	745011.40	993195.14
2-Acetylpyrazine	1724877.49	1271166.42	1555203.38	1029490.29	4013141.49	2968033.78	1159509.10	3221098.11	1593335.20	3166361.94	1058870.86	3127031.40	1260611.55	2409728.53	1121534.77
2-AI	111530.18	230668.24	473376.01	244384.37	143089.57	338678.72	516976.27	121689.06	298755.62	417704.46	306802.54	153194.19	116213.79	137350.99	92879.94
2-arachidonoylglycerol	1681532.64	2134661.98	2182258.16	700001.08	1354139.92	2180690.00	2146915.04	2222497.23	2991112.42	2391177.26	1121703.36	1196936.13	2941337.33	1565977.79	672453.13
2-Decylfuran	8033227.26	6603838.90	8233186.27	7811869.72	11359468.80	11350846.66	12076243.93	6203426.14	5596935.24	6819898.51	7489008.50	9855421.56	14198650.01	7939694.31	10014105.51
2-(Diphenylmethoxy)-N-methylethanamine	246078.36	192582.56	231154.97	355279.89	274031.65	251120.88	308948.23	335460.17	205138.31	359871.10	277296.16	243940.32	244704.76	245409.71	267466.40
(2E)-3-(3-Hydroxyphenyl)acrylaldehyde	185235568.14	253216764.51	190580381.29	155702661.96	217061274.40	197448114.51	172226693.59	195393202.46	194486836.06	208235408.29	164445316.34	199972058.18	194805020.27	198759645.43	174921702.04
(2E,4E)-N-(1,3-dihydroxy-3-methylpentan-2-yl)-2-methylhexa-2...	205554.49	140911.16	247193.68	331579.03	441993.81	461514.91	604235.82	140692.70	120401.56	148103.94	246108.82	386931.49	635590.36	164842.18	424685.28
(2E,4E)-N-(2-methylpropyl)dodeca-2,4-dienamide	705636.12	959103.88	522972.58	484605.91	581572.27	377530.17	412847.95	564092.30	339904.38	890849.61	769984.22	480194.66	235705.83	489940.57	364026.40
(2E)-hexadecenoylcarnitine	1557864.66	1691181.92	1485749.94	1588608.27	1517579.83	1331217.54	1583972.59	1506980.54	1824006.69	1360961.36	1540031.52	1454556.03	1277965.11	1640458.06	1621511.64
2-Ethoxy-2^-ethyloxanilide	29647608.50	31299905.06	22329165.46	19418275.67	32291440.00	20746939.15	23622454.79	31897042.25	28370721.16	21917536.73	20118185.49	28897953.64	19841078.91	27937363.97	24711017.51
2-Ethylhexyl hydrogen sulfate	89249.87	121257.91	92499.70	980338.56	94797.21	115124.72	141403.29	92047.19	95754.18	101704.65	208560.12	105463.44	112562.35	107942.81	135341.40
2-Heptyl-4,5-dimethyl-1,3-oxazole	1353297.48	1654504.88	1300851.54	1719731.05	1139295.71	1123277.45	1249444.12	1060781.30	1000337.01	944999.40	1145209.26	1014574.87	785589.81	1089174.80	1261555.18
(2-Hydroxy-2-oxido-1,3,2-dioxaphospholan-4-yl)methyl palmita...	4023187.24	4902429.04	4369138.86	2177064.89	3606609.33	4168392.81	3493110.27	5050705.57	6138851.32	4904472.99	2701906.54	3346910.66	5514223.34	3249849.69	2033876.69
2-Hydroxy-3-(phosphonooxy)propyl (5Z,8Z,11Z)-5,8,11-icosatri...	1179404.61	976456.04	1013135.14	1819928.81	1043772.55	840546.45	2349346.82	1046116.02	1445478.52	766257.04	2291668.29	870098.65	882117.59	787043.14	1990974.09
2-Isopropenyl-10,10,12,12,15b,15c-hexamethyl-2,3,5,6,6a,7,9,...	11444080.91	11380180.30	12245947.78	12152399.55	13926158.02	12688105.38	12841443.71	13184512.18	13773018.20	11386508.98	12570262.16	11837043.70	14444345.37	11975936.62	12806035.97
2-Methoxy-2-methyldihydro-3(2H)-thiophenone	1781651.95	1907123.51	1925844.08	1336148.24	2252636.42	2450260.70	1519899.83	1831632.48	1772310.78	1847193.20	1278946.30	2145123.53	2177482.81	2617118.30	1387544.55
2-methoxyacetaminophen sulfate	464241.33	412519.52	470708.15	223126.62	541061.45	693449.53	217782.01	655440.03	549957.47	500371.13	199530.99	602636.50	537519.59	699883.57	258565.85
2-Methylcyclohexan-1,3-dione	986931.87	737444.91	930378.06	1598514.04	925941.12	922654.03	1370894.02	748117.01	973039.14	625467.88	1092619.56	904681.58	776786.18	761565.37	1319957.33
2-Methylthiazolidine	3782169.06	4776835.95	3987021.30	3397968.01	3835033.98	4071375.45	3607389.66	3853140.47	4402917.68	4199758.78	3552646.03	3923496.40	4460822.58	3651879.67	3511169.51
2-(morpholinomethyl)-4-(2-phenyldiaz-1-enyl)phenol	1515850.02	1428933.44	311513.25	537259.44	269219.93	334719.65	625233.52	316846.47	262316.12	412895.39	204374.25	588671.26	127697.23	810198.95	1855500.59
2-Oxindole	1222650.82	1167335.94	1017419.86	1335150.78	1759551.57	1520429.63	1591802.00	1258781.14	976182.17	1258130.13	1570527.03	1426237.60	1047825.94	1520699.60	1690977.20
2-Oxobutyric acid_1	536451.55	565897.35	540678.59	545300.11	537021.12	523905.90	505492.65	501788.40	531933.72	500116.86	479579.86	497891.50	524361.67	446437.33	492722.37
2-Oxobutyric acid_2	22570301.79	23353108.78	22171737.94	21442712.13	22842704.34	21911492.75	21266406.80	23082225.20	24397014.49	23664244.87	22220692.96	22627818.03	22641985.92	22466231.02	21599409.50
2-Oxobutyric acid_3	641257.55	682679.50	634258.20	710637.06	696364.46	630215.51	662452.26	621468.54	560346.72	610202.76	628042.20	564442.95	542314.92	505199.40	638573.16
2-palmitoyl-sn-glycero-3-phosphocholine	9518755.99	8944520.76	9050401.56	13398496.76	7413820.98	6436373.27	11720393.18	7901817.89	12658434.91	7320234.53	17894783.40	6916584.07	6470263.44	9295035.98	11047941.97
2-Pyrrolidone	13123288.40	12956342.93	14594038.53	14334732.98	18235023.00	17131340.99	17586858.25	13901531.83	14731330.13	15074091.80	15174603.56	13031235.37	17823276.91	11603102.60	14044832.14
(2R)-1-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-3-hydroxy-2...	70331.05	38196.12	63711.99	76466.59	61796.63	63035.70	48923.65	73213.06	35356.51	59047.04	116350.24	63688.57	42079.32	83281.01	95999.35
(2R)-2-[(2R,5S)-5-[(2S)-2-hydroxybutyl]oxolan-2-yl]propanoic...	16737763.68	10138264.63	17538312.02	17465273.45	24458338.73	27588439.61	25067044.70	18621510.65	8983738.04	19428444.90	20685305.44	23234136.33	30980969.46	19273095.58	22328408.86
(2R)-3-({[(2S)-2,3-Dihydroxypropoxy](hydroxy)phosphoryl}oxy)...	11202706.32	9607801.02	11159335.53	12665776.79	11126163.27	12411392.46	12995650.33	11680851.81	12359417.43	9696148.10	12941771.56	11209295.49	11040789.04	11830782.94	13274277.68
(2R)-3-Hydroxy-2-[(9Z,12E)-9,12-octadecadienoyloxy]propyl 2-...	7719115.72	8122666.27	6900749.76	12488470.56	5820828.27	5574452.91	13639090.57	6870396.93	10063027.99	5458333.20	18029510.81	5773295.78	5530611.00	5457715.88	12417840.91
(2S)-3-Methyl-2-({[(3S,4S,5R)-2,3,4-trihydroxy-5-(hydroxymet...	1985490.06	1485429.82	2197108.00	1889654.80	1881140.80	1933779.97	1945915.79	2149562.09	1228350.76	2352155.93	2042005.72	1764203.51	1639722.18	1967856.28	1973445.91
(2S)-6-Amino-2-[(E)-(hydroxymethylene)amino]hexanimidic acid	730411.43	626365.49	834590.19	705248.52	1631549.23	1051392.87	1090787.26	903412.15	501775.11	1053083.25	680585.53	1215895.12	533498.88	1296637.20	1070004.62
(2Z)-3-{5-[(4Z)-5-(Methylsulfanyl)-4-penten-2-yn-1-yl]-2-fur...	1313420.74	709596.49	4278178.06	6514995.68	1010905.97	4697847.96	556014.35	4370630.85	4027538.95	4818081.44	366870.86	3763445.62	16760515.40	480249.56	506895.52
3-(1-hydroxyethyl)-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyraz...	517850.40	598257.16	545084.40	623213.57	649530.30	871265.37	785419.98	711350.41	557627.51	602588.66	636361.82	1761325.94	536430.83	947270.08	700425.12
3-{2-[13-(Acetoxymethyl)-13-hydroxy-8-methylpodocarpan-14-yl...	1086066.97	979192.33	982656.07	1082024.17	1467200.90	1091537.14	978685.94	1182673.26	1085511.48	1118027.30	1034424.79	918066.81	753938.40	790749.41	967898.83
3,3-dimethyl-5-oxo-5-(2-piperidinoanilino)pentanoic acid	34157080.95	29466640.93	33070681.39	35307080.81	37231442.19	33527964.97	36366429.21	35565636.65	37105514.39	30100098.39	35236499.31	31561281.35	29793902.83	32691801.64	34035407.49
3-Acetyl-2,5-dimethylfuran	723218.26	760470.56	708842.09	854702.39	661750.20	695620.19	785986.81	591935.16	531970.22	537208.91	669526.00	658513.90	629788.13	606979.03	796272.81
3-amino-4-(propylamino)cyclobut-3-ene-1,2-dione	454398.12	705906.07	742251.32	924004.71	631342.70	1006378.60	699782.49	560654.20	562788.45	811724.15	593542.37	704663.44	764140.51	1276846.99	717348.86
(3beta,5beta)-24-Hydroxy-24-oxocholan-3-yl beta-D-glucopyran...	5612925.63	5912129.70	5799906.26	5955312.39	5725647.85	5441276.47	5867693.63	5712635.48	6906775.58	5518499.91	5789417.32	5597522.34	5638890.15	5572882.60	5556012.87
3-Butynal	6385150.20	8389750.78	7281030.62	6148340.70	9473473.75	10061972.55	6839451.58	7265873.60	7611906.66	8761968.48	6297928.01	7763309.14	8099055.50	9187773.60	6560272.14
3-CYSTEINYLACETAMINOPHEN	3415751.13	3462168.03	3232194.18	1474715.24	5505269.92	5253768.09	1501787.51	5330697.03	4170361.65	3748659.83	1391891.71	5475072.51	3489436.36	5691704.86	1931900.18
(3E,11Z)-3,11-Tridecadiene-5,7,9-triyne-1,2-diol	525720.43	933210.53	486332.76	568743.24	478066.39	376367.78	589330.11	453504.60	385551.80	435018.02	604920.52	716304.78	415835.49	766674.31	969964.72
3-Hydroxybupivicaine	29600362.24	16207861.07	34920808.72	11739557.18	57040317.46	32619854.77	16705274.32	35784691.54	22615930.05	27195301.21	11721209.56	40666064.86	31572736.34	37138949.76	13778300.25
3-Hydroxy-cis-5-tetradecenoylcarnitine	707114.57	661002.92	640708.84	543689.87	896472.03	637804.59	612839.52	749425.17	718773.53	600583.49	532869.82	753748.11	512689.62	709501.53	599514.94
3-Hydroxyheptanoic acid	1416989.81	1461229.45	1423414.81	1613059.31	1366117.71	1343669.34	1441464.86	1473591.38	1428410.81	1275623.25	1637391.16	1337106.23	1189912.19	1276987.96	1565003.12
3-Hydroxymepivacaine	121789.94	146118.51	141059.06	833850.68	127889.56	205784.60	813714.47	122965.77	130405.52	157993.98	687537.11	132849.47	161589.17	151256.78	411685.30
3-hydroxyoctanoylcarnitine	2765748.89	2628116.10	2512835.71	2816513.44	3288160.27	2865742.49	2889112.44	2683625.29	3210526.69	2560609.80	2768406.89	2374671.33	2345241.63	2576299.34	2699873.59
3-Hydroxyropivacaine	7042311.35	4483845.48	3674865.71	822984.77	2320856.19	1698368.67	810130.77	4987144.30	867200.60	3055970.45	766490.09	3009804.41	955360.37	2425939.19	723545.85
3-mercaptohexyl butyrate	48818000.29	57312910.21	52511217.25	50453214.07	49819865.91	48019720.98	49422779.26	47345852.06	44822620.79	43652114.94	43737799.79	46366236.16	58104185.83	49591206.90	47023408.71
3-Methoxybenzaldehyde	856566.10	717765.29	780520.07	1054209.90	764715.35	825758.51	987247.93	695714.06	584178.04	607225.19	811229.25	725738.86	678006.24	660198.52	830572.95
3-Methyl-3-phenylazetidine	408187.46	1390877.08	683196.11	543889.68	398680.38	913880.71	280081.05	476860.37	2975853.72	832501.69	490847.18	617818.43	918936.75	1533420.05	2291696.59
3-Methylsulfolene	13330895.39	17500037.57	13964547.96	11911311.34	13789775.03	14442416.38	12711904.02	13731972.26	15626132.55	15102772.04	12475939.19	14055204.02	16336792.82	12882254.95	12251926.96
3-Methylxanthine	132738.48	148134.85	114356.72	183727.79	119085.67	110395.63	165023.59	121846.79	124827.85	111380.04	182680.96	116413.90	111445.28	117366.58	172221.61
3-(propan-2-yl)-octahydropyrrolo[1,2-a]pyrazine-1,4-dione	4135847.06	6575770.49	4062519.18	6777619.69	4365997.43	4563201.93	8674515.50	4045062.98	4290852.22	4299165.67	8100536.09	4513830.97	3974234.56	4351228.51	7871018.10
(3R)-3-[(9Z)-9-Octadecenoyloxy]-4-(trimethylammonio)butanoat...	4431521.81	4556434.00	4259111.46	4622220.45	4384859.89	3422381.11	4446363.53	4205590.32	5735366.26	3981282.99	4736967.32	4269345.87	3562209.41	4294917.45	4511786.77
(3r,4s)-Tofacitinib	15681667.09	20770653.42	18677650.19	15678079.66	28335852.22	28148384.58	14516494.98	15828589.97	18125752.90	24458658.53	18800339.45	16986289.59	24814605.47	16429730.24	18124556.86
3-Thiomorpholinecarboxylic acid	3631880.12	5363262.08	3646578.48	3372361.36	3826321.60	3967667.27	3989527.82	3820099.54	3578022.40	4573327.08	3694711.27	4609054.67	4952770.23	5534886.67	5272185.30
3-Ureidopropionate	634207.28	598338.21	606369.66	676044.44	787885.01	768227.38	712701.50	644759.37	519004.28	669508.80	649251.37	727265.97	633362.61	753418.85	685043.22
(3Z)-3-Hexen-1-yl 2-oxopropanoate	3796364.85	3377077.10	3378676.62	4558812.59	3730383.36	3722813.72	4607710.90	3286018.91	2908469.86	2831685.64	3925100.88	3467192.20	3480303.76	2989632.52	4199919.85
(3Z,6Z,9Z,12Z,21R)-27-Amino-24-hydroxy-24-oxido-18-oxo-19,23...	140283952.43	121959757.55	143232513.24	154486262.28	139467623.83	154754542.25	159544039.62	146974442.89	154244309.95	125097854.36	161193598.79	139034044.94	137982298.73	149647008.54	160311169.40
4-[3,5-di(tert-butyl)-1H-pyrazol-1-yl]benzoic acid	495574.90	194075.86	436264.09	168585.36	614091.15	366290.79	209202.64	487777.33	211934.77	311350.50	166529.20	674491.09	246352.81	440310.71	187318.87
4-[(3-Acetamidopropyl)amino]butanoic acid	6125475.26	7925519.53	6924280.31	6396248.87	11147957.66	9762719.78	7019934.87	7207487.29	6782766.50	7689012.40	6514717.84	6717202.14	6525113.15	7236933.36	6470991.03
4-{[3-(Hydroxymethyl)phenyl]amino}-N-(isopropylcarbamoyl)-3-...	433141.46	708938.16	419906.78	78926.30	366958.17	412893.00	74857.65	482356.30	87764.43	432148.76	75042.39	595027.24	147275.65	420559.91	56046.67
4-(3-Oxopentyl)phenyl hydrogen sulfate	839684.61	971437.38	833518.08	835987.71	801471.11	757820.22	805348.08	821452.53	874056.25	808647.42	840892.32	796739.54	774738.44	781494.78	836339.09
4-[4-(1-phenyl-1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]pyrid...	245996.58	261075.32	235363.57	276755.13	239850.14	288428.65	374087.86	231131.71	236855.37	228305.75	250255.39	268926.57	289991.27	218695.66	303781.81
4,4^-dimethoxy[1,1^-biphenyl]-2-carbonitrile	1216439.65	1589601.15	1427491.08	1323753.20	1159101.39	1251598.79	1303280.88	1280697.23	1713958.61	1505672.58	1483753.13	1215923.04	1441293.15	1478222.44	1417186.32
4-[(4E,7Z,10E,13E,16Z,19Z)-4,7,10,13,16,19-Docosahexaenoylam...	814458.07	454197.87	801492.13	638078.46	1422524.54	1268370.42	1084848.86	600243.23	513604.67	569793.60	1576890.16	782372.89	463780.44	579720.22	1416684.15
4-(4-Methylphenyl)pentanoic acid	988875.55	1131295.77	991551.01	1140964.17	963881.58	943250.54	989625.52	917574.27	914703.82	849652.96	960323.93	951219.71	841318.95	963460.39	1050924.09
4,6-Diamino-3-({3-amino-6-[1-(methylamino)ethyl]tetrahydro-2...	505392.65	632412.28	605543.81	4096692.36	511054.18	1029471.06	2320578.74	588016.49	718064.69	716945.51	3288518.31	547097.30	651137.94	1498052.50	465812.68
4-Acetamido-3-hydroxyphenyl hydrogen sulfate	172776.79	184359.87	175558.41	73408.06	212884.37	208320.46	71479.67	208122.79	243234.70	146837.34	65305.78	251214.98	176667.20	256324.48	106049.40
4-Acetamidoantipyrine	3762780.05	4364704.62	3653328.11	842312.96	3781768.31	2951449.05	838305.30	4014863.99	944902.78	3758748.85	872774.83	2716775.72	1255159.83	2839468.95	630527.60
4-Acetamidobutanoic acid	3908529.86	5073312.17	4547954.51	3906397.43	5543032.74	6572098.82	4292388.96	4513724.37	4929902.70	5745745.89	4030308.21	4974278.16	5061871.42	6069790.16	4166938.98
4-Acetamidophenol (paracetamol)	136059847.46	157208696.74	129860635.38	117076821.04	133535921.96	123027821.28	120356469.82	129578591.36	128048937.98	126870010.35	121056861.18	135494053.53	125559858.91	131674480.38	120945520.56
4-Aminoantipyrine	81074131.56	47761419.73	94511391.51	23207921.49	59145843.80	59339517.24	23205639.06	79366754.52	22647668.18	65209958.26	21794815.13	49433844.90	31352740.29	58864799.44	24599321.60
(4beta,8alpha,9R)-6^-Methoxycinchonan-3,9-diol	69598.27	73673.95	79323.95	93716.16	72914.13	80679.02	80705.41	70502.38	69960.41	77176.56	82456.89	376258.39	73162.38	1279126.70	1312628.71
4-Dimethylaminoantipyrine	428605.75	304598.48	445868.56	112042.38	591442.34	435798.15	111776.58	472480.40	115220.27	829989.89	114984.82	545921.20	250134.27	329277.49	116996.20
(4E)-2-Amino-3-oxo-4-undecenoic acid	992748.75	1091965.03	1002751.27	1018019.16	998963.86	943741.95	945417.57	907931.61	834711.86	952968.99	993119.69	956203.45	907350.54	933352.40	1004860.71
4-Ethynylaniline	3927749.46	5060765.62	4177753.86	3119427.63	3603211.20	3885436.73	3169509.24	4098320.56	3363892.87	4466283.27	3218835.20	3570619.67	3534244.16	3653371.39	3184362.78
4-Formylaminoantipyrine	276655689.80	391933775.32	288337358.04	82103203.01	222123992.21	230189655.44	80313044.94	275621588.09	81766734.57	227583679.46	87906930.36	168024702.68	90678716.45	181758429.50	69710056.27
4-Guanidinobutyric acid	2307188.65	3613143.73	2564752.46	2863377.26	1915971.99	2305563.51	2323877.86	2543806.70	3979931.49	3044406.38	3264047.57	2407862.78	3115557.72	2296175.86	2879458.29
4-Indolecarbaldehyde	5482626.87	6838641.10	5901867.16	3363755.04	4923547.46	5092093.14	3424915.22	5798806.86	3682942.54	6247983.47	3440159.09	4656794.88	4314189.38	5020568.52	3463711.85
4-Iodoanisole	3927989.14	4318469.86	4081111.09	4005228.80	4161453.89	3918053.88	3941180.84	3977843.93	4096237.49	4017985.22	3928816.34	4086484.31	3774660.80	4068385.81	3948969.99
4-Methoxycinnamaldehyde	10921731.87	11879547.87	10467857.88	13171278.60	10720109.79	10530238.92	11822635.55	9889655.56	10054762.06	9318151.25	10925103.93	10286953.78	9417095.06	9640931.72	11787138.36
4-(Nitrosoamino)-1-(3-pyridinyl)-1-butanone	5731520.79	4044334.69	4133265.28	6727962.70	4064548.19	4912160.10	9658886.21	6088222.90	4029523.46	3309971.16	10203295.90	6966171.54	4668170.72	4273308.41	7211420.28
4-(pentyloxy)benzene-1-carbohydrazide	328074.49	142018.31	322100.79	352348.40	494967.72	395851.84	528140.27	379705.57	306007.24	317030.17	402360.71	261567.90	390661.34	120560.33	286382.77
4-Pyridoxic acid	1089585.01	10792510.03	874327.82	958722.63	2447861.10	837072.75	879823.08	3078032.87	754391.29	882915.74	976538.82	758592.03	673479.68	691269.37	921413.85
(4R)-4-{[3-(2-Aminoethyl)-1H-indol-5-yl]methyl}-1,3-oxazolid...	576112.50	461554.66	482306.13	217097.95	699163.46	539879.52	227034.52	818615.50	227264.75	455497.02	242348.41	539487.05	308639.67	454795.14	232688.47
(4R)-4-{[3-(2-Aminoethyl)-1H-indol-5-yl]methyl}-1,3-oxazolid...	25332.90	25224.58	24814.77	16093.56	31136.19	57057.18	52673.69	23538.55	32040.30	24078.27	15759.35	28153.54	31568.86	25426.93	17603.58
(4S)-4-[(2E)-2-Octenoyloxy]-4-(trimethylammonio)butanoate	13703617.95	14267843.71	13358059.19	14862484.20	14565532.17	13815299.00	16924744.35	13099998.99	14087729.61	12242450.51	15185265.63	13692953.48	14008328.83	15500491.89	16978773.34
4-Sulfanyldihydro-3(2H)-furanone	521867.95	575630.94	537624.79	676363.48	480355.47	534598.51	734799.00	485414.22	672768.71	524561.06	666134.45	499812.32	650998.24	522529.57	760288.22
[(4Z)-5-(Methylsulfanyl)-4-penten-2-yn-1-yl]benzene	3501044.99	1766640.08	2590032.31	1735038.03	5495625.30	4391186.09	2309220.53	5502476.61	1793069.90	3158837.55	2147132.32	1663585.19	1479820.62	1441651.49	1655432.39
[(4Z,6E,10Z,13Z)-1-Carboxy-4,6,10,13-nonadecatetraen-8-yl]di...	3105646.15	3079889.14	2907988.66	2636330.70	2536760.68	2260854.46	2312337.06	2565890.29	2919039.21	3157230.22	3004339.50	2585042.20	1946869.25	2664225.78	2278422.57
5-Aminolevulinic acid	337843.59	286559.15	291886.40	346519.70	310705.56	310353.70	545889.84	324231.67	416570.09	324298.86	456517.84	321586.50	371581.65	354196.86	429643.93
(5E,12Z)-2-Hydroxy-4-oxo-5,12-henicosadien-1-yl acetate	16083675.08	20083131.79	16468428.21	16829224.14	15596407.66	15354052.43	16285062.47	17939008.95	22560382.97	17569325.88	19944899.63	15948089.16	16119238.65	18397446.58	16373897.23
5-guanidino-2-oxopentanoic acid	276001.88	246266.16	268670.40	62969.09	465535.52	402806.68	61844.84	275682.69	190649.96	411479.89	64594.58	252496.87	297719.31	279863.96	96021.20
5-Hydroxy-3-(hydroxymethyl)-6-isopropyl-2-oxo-3-cyclohexen-1...	486323.80	769865.92	414730.31	460157.57	382182.22	311091.03	457102.05	374706.08	338968.11	341412.19	457031.53	590132.51	328322.67	582685.18	682858.46
5-hydroxy-4-[3-(2-hydroxypropan-2-yl)oxiran-2-yl]-1-methyl-7...	14075800.61	9079960.12	14906374.27	16057219.03	11017178.55	11469855.26	13508312.40	10248575.54	11432253.92	10940044.03	13452424.00	11230596.34	11825293.47	10607213.11	13540179.38
5-hydroxytryptamine (Serotonin)	9367486.20	11040643.34	10745382.49	15104123.55	9241914.45	11607075.27	18261859.75	8972114.02	17445734.81	8419603.09	18631973.12	9131310.93	12445946.00	9378892.49	10745802.43
5-Methoxytryptophan	209384.78	246036.01	213344.11	187031.37	196109.42	191187.78	188741.12	206254.49	191499.42	222953.31	188444.91	192561.04	197121.45	187375.48	185131.82
5-methylthioribose	4103821.32	4807902.76	4490928.73	4321978.28	4950009.79	5182892.52	4295612.49	4530051.49	4790151.05	4761226.34	4274365.43	4640080.19	4020083.38	5113042.53	4518187.84
5-Methyluridine	24975.37	27223.91	27978.66	24325.89	26709.87	29260.75	23733.32	25741.32	29922.79	27096.95	24401.22	22901.74	22238.92	25174.93	22008.11
5-Nitro-o-toluidine	24427948.71	78526394.94	24449482.59	34417624.54	30843913.14	28592801.44	35311149.91	26687253.19	22948714.37	30731430.76	39399461.29	21776487.78	22571827.00	27063690.52	38588993.06
(5xi)-11,12-Dihydroxyabieta-8(14),9(11),12-trien-20-oic acid	8636201.42	10311804.46	8102101.86	9416676.68	9031417.19	7930698.29	8465896.21	9041507.53	9722849.97	7608940.10	9290121.22	7642021.48	7336601.19	7115328.03	8369128.86
(5ξ)-12,13-Dihydroxypodocarpa-8,11,13-trien-7-one	467341.32	815115.85	418278.93	488430.91	403782.77	329774.76	525480.64	404365.49	331766.02	388052.08	551979.34	650547.96	376619.24	676068.56	853148.84
6-[(1Z)-1-Propen-1-yl]-2,3,4,5-tetrahydropyridine	667478.46	737996.65	656794.92	815880.07	617053.29	634490.62	675455.01	516932.45	514063.67	469992.10	528507.53	560621.69	525165.09	541191.76	651874.91
6-Methyl[1,2,4]triazolo[4,3-b]pyridazin-8-ol	1284866.27	1385684.70	1301070.00	1203730.44	1619381.15	1549164.35	1242527.87	1457764.89	1224741.21	1287383.22	1127189.65	1553865.99	1120309.00	1611065.25	1262857.81
6-Methylindole	751327.62	1136863.56	786661.78	771087.97	689617.45	747919.52	811070.51	760068.75	846636.89	782713.94	807994.33	683341.13	779624.64	700144.17	808104.38
7alpha-Hydroxy-3-oxo-4-cholestenoic acid	370224.19	584149.90	361766.64	487141.45	452353.52	465131.84	537457.41	393071.99	492904.69	453421.18	523701.15	391152.73	475350.90	326711.76	543009.63
7-Methylguanine	142125.01	215687.24	132597.67	134173.94	126922.81	114526.47	143777.79	137347.43	177607.79	129033.20	152199.30	124471.89	135449.12	120125.55	146470.05
7-(tert-butyl)-4-imino-1,2,3,4,5,6-hexahydropyrido[3,4-d]pyr...	812175.75	722670.14	698563.88	492256.94	1450943.15	841438.51	549469.77	961147.05	696044.65	828702.53	513210.21	936215.69	622139.86	881573.01	546155.94
7-(β-Hydroxyethyl)theophylline	150167.09	89967.41	361569.22	145162.49	110665.74	181555.85	253110.20	109086.28	96525.55	198474.58	158593.69	156343.50	74350.72	112768.31	118042.07
8-(2-{[(2E)-3-(4-Hydroxyphenyl)-2-propenoyl]oxy}-2-propanyl)...	535391.64	799552.99	549452.28	182548.79	492102.13	721960.65	239130.19	455595.54	415327.07	439148.77	160795.16	537251.13	689156.70	998034.71	238347.15
8-Azabicyclo[3.2.1]octan-3-ol	430946.87	424982.16	448110.58	480148.66	733030.29	612735.70	713683.06	366175.24	357059.18	431499.58	408736.65	741413.60	936205.39	414510.71	662415.14
8-Azabicyclo[3.2.1]octane-1,2,7-triol	737179.12	1101423.51	833852.47	825872.62	1364995.05	1292937.91	1380970.03	988740.38	676115.22	1182947.90	1121810.91	955198.38	858732.58	1392971.57	1180292.64
8-Hydroxyquinoline	1068672.09	753330.51	918434.26	1052106.85	1466788.72	1106833.24	1481974.00	981585.20	921911.05	752972.58	887352.11	980386.40	760754.65	786747.75	860065.51
9-Decenoylcarnitine	3282261.80	3143105.92	3499629.30	2714007.14	4398223.06	3804896.99	3357536.00	3722084.74	3406476.93	3647973.66	2765812.62	3489690.63	3344653.09	3621752.77	3089390.38
Acetylarginine	960502.63	1409067.30	984703.70	1335913.43	988305.24	1079121.59	1483139.58	1101255.60	1311332.89	1201935.18	1572887.39	910609.81	1088662.97	986627.44	1497837.45
Acetylcarnitine (C2)	558540100.83	665562155.83	569214611.29	526599524.34	581495863.42	565476906.59	561300859.08	539502606.11	597017273.10	497558818.52	503925159.04	566795565.19	624543986.24	520735192.24	516783424.82
Acetylcholine	59020641.83	69696704.09	58614565.69	65334160.60	58856949.22	57384938.57	62984248.66	61465252.07	66355273.74	55846031.62	62761223.91	60201539.74	56101462.20	61663390.29	66311507.93
Acetyl-β-methylcholine	54795667.00	57798395.16	63507617.17	63654074.85	59313944.85	66518443.80	64980108.97	58318607.36	68482171.97	75827719.71	71988625.76	62492855.52	63246861.39	77731346.11	70194384.84
Acrylic acid	940851.66	1101271.15	881059.71	986804.65	837264.50	755968.80	864788.59	895951.24	912091.26	885928.42	912408.33	832794.24	711407.87	766825.33	840429.38
Alanine	25038.95	26363.96	27425.05	24363.75	26734.17	28926.65	23915.80	25956.83	29657.37	26998.26	24895.74	23472.87	23557.29	25278.06	22909.50
Alanylleucine_1	418986.06	380416.59	412286.51	496305.49	431787.98	399035.16	569196.10	410451.06	314759.06	362186.01	465047.46	438308.45	380079.73	445455.64	512468.44
Alanylleucine_2	744992.80	1340220.54	742927.18	770570.17	862529.11	1008244.59	1055226.76	1049461.97	1111630.37	1191975.86	1242801.27	967647.95	1206314.98	856147.61	1142958.22
Ala-Tyr	209283.08	178538.94	182403.02	166547.94	195059.80	206421.82	252810.53	187462.96	223618.30	172972.08	193755.08	157234.66	163819.42	230716.04	192872.08
Allethrin	866534.87	589188.96	959078.95	1106862.63	1730343.71	2077316.42	2118965.11	785049.57	537180.69	887470.85	848895.36	1834035.72	2864362.96	947756.72	1603063.87
all-trans-hexaprenyl diphosphate	5624383.30	9349438.34	5272249.62	6611130.74	6091494.89	4791556.04	4442958.84	6042440.87	8140471.06	4761920.85	6319258.49	4342135.31	4386666.18	4078052.35	5059298.96
Alprenolol	4429520.55	2073253.25	2458265.09	1231098.77	5534887.95	3638191.30	1283198.94	4323994.69	1311503.36	2740643.44	1198501.99	4969359.09	1648465.10	4175264.64	1268203.86
Aminoadipic acid	3204591.47	3749861.91	3123871.65	3083300.70	3764601.04	3691849.03	3178910.23	3436466.75	3201688.79	3379154.41	3159809.83	3326000.34	2982581.02	3599317.58	3238547.47
Amoxicillin	592488.69	699496.71	737552.72	6110733.30	1296296.75	1274768.82	2016316.84	1015533.96	887322.34	598801.62	5945726.54	875948.13	2779170.17	653927.41	1147509.63
Ampicillin	1239277.93	1403347.05	1245216.00	1137311.95	8790089.17	4369666.33	1181594.49	1258235.65	1206976.04	1249023.87	1141912.36	1330783.38	1351272.87	1262250.61	1260430.67
ANH	7485315.64	8515373.73	7341994.43	9247195.72	7984715.68	8369001.66	9153241.66	5716496.48	5790111.48	5406302.20	6165904.99	7137563.45	8251993.82	6164385.81	8660475.66
Anhydroecgonine methyl ester	81933.43	53538.07	99765.62	106062.65	170733.56	200354.42	208429.83	72917.66	48336.20	79821.67	82607.29	151724.57	227945.57	82485.61	141162.79
Anhydrovitamin A	2441503.99	3752151.96	2499750.01	3636072.03	2057835.09	2314385.20	3692461.09	2296489.68	4267649.48	2483362.09	4164775.93	1941708.66	2522508.18	2455907.06	3995743.00
Aniline_1	325418.03	416815.70	326869.26	312410.68	438338.56	458487.89	329738.01	362172.76	306582.47	375001.26	323202.67	350862.95	307249.02	336467.67	314365.25
Aniline_2	485344.52	860541.74	356326.24	677116.37	405733.72	656205.61	1175999.68	425152.22	349507.14	467288.63	1029650.38	482216.57	532905.40	503906.57	729330.28
Anserine	19159.00	12904.54	18212.88	14176.63	20657.67	20878.01	14210.82	20176.75	24785.49	22711.41	13974.83	19147.37	18076.16	18636.59	14334.43
Aprobarbital	385555.45	483000.76	598104.17	358899.75	1094079.29	973371.76	454353.41	491806.31	396407.29	649792.62	327358.32	734181.86	492435.26	1051694.20	411047.10
Arachidonic acid	1525511.46	1994927.86	1437086.13	1364986.30	1458522.25	1337697.07	1419333.54	1513766.76	1698567.20	1515238.88	1550882.39	1482963.00	1629958.74	1589756.23	1556633.33
Arsenobetaine	222037.26	219435.34	304354.67	402498.51	249966.26	326751.22	375774.21	242699.07	691922.83	290547.74	423227.67	446332.88	251619.84	871533.95	537356.06
Aspartame	258043.33	296690.16	262142.51	228605.71	325291.78	298725.05	278863.43	286985.46	238657.48	299396.94	235683.11	291580.70	276242.43	283417.02	255347.47
asp-leu_1	526490.70	571000.64	662097.97	213310.83	1322920.14	1389843.31	284013.13	663139.54	447044.28	801116.20	208137.38	1977041.03	721427.28	1629328.02	348948.59
asp-leu_2	892414.95	733467.66	908134.69	766400.82	894064.35	933035.42	767691.98	975912.59	497010.56	962511.32	811377.26	866672.30	700256.64	862219.91	675279.08
Atenolol	1512982.98	629564.66	1856795.61	1757921.72	849151.77	951996.88	2232873.20	539998.07	584296.85	530976.05	545928.99	1109179.10	1222812.66	814766.49	2245891.54
Atenolol acid	3103780.69	1604476.03	2599833.66	4850710.65	2918845.75	3475890.36	4715914.29	6967967.79	1469463.12	6963496.90	3305389.20	4735301.87	1526259.19	12312750.49	6725922.10
Atropine	43773.67	47239.98	46354.20	31989.18	41000.98	44130.49	148447.89	43769.74	27522.56	45865.94	40579.48	38194.53	32563.60	43470.60	28870.61
b-Angelica lactone	1870332.12	2040317.43	1987636.03	1597073.83	2249677.24	2194057.89	1585331.29	2207989.16	2391784.61	2289296.27	1635142.34	2126362.60	2237367.45	2081434.48	1571385.48
Benzene	128980413.27	164257724.67	129715309.50	108020499.18	148210682.00	137017399.14	118729523.57	137043450.49	132838285.17	142954968.03	116547745.00	137096148.09	136212242.38	135473823.90	120089262.12
Benzylamine	479108.37	322955.80	493727.42	524862.60	799459.25	902943.90	919783.16	502592.42	298341.55	525117.26	592696.53	768670.29	1194363.30	473325.66	791661.77
Betaine	174481469.37	174221882.21	160381392.59	163664219.10	160591032.92	151458684.46	165902524.09	168114359.01	165559776.55	155864136.01	169654653.24	163567416.81	149346193.32	161530653.17	166024335.19
Biacetyl	3465153.73	3482918.24	3050564.50	2673228.53	2738030.34	2525355.80	2551066.03	2671696.53	2400674.32	2218065.97	2268609.08	2934660.43	2424063.12	2380576.01	2162590.74
Biotin	183092.86	212137.77	178800.29	168075.23	242783.39	228812.25	189959.09	193188.67	170054.71	178421.26	163566.72	240609.73	154629.41	233277.04	194658.24
Bis(4-ethylbenzylidene)sorbitol	6969481.50	4868637.56	7656148.44	7451172.54	8877926.73	11623064.66	9470728.55	7661325.87	4934713.87	9552685.85	8540434.95	9673498.61	11720402.33	7122552.17	9078117.63
Bisoprolol	188176.52	97266.14	190760.72	176505.18	138667.56	190673.93	220913.75	121023.29	135453.53	191341.23	542038.50	191662.27	103947.36	237164.07	283476.65
brassinin	749555.30	395491.55	370872.23	196522.55	1634492.23	652049.72	207361.74	594077.69	326158.76	650146.28	196419.07	706917.47	394591.96	320356.18	201695.88
Bupivacaine	111818132.69	78601589.90	130781136.86	59649610.54	210519406.16	152550216.05	92951122.00	158525407.22	128135971.92	132789446.94	59145646.49	182259961.66	148864908.64	151588772.43	69024923.88
Butenylcarnitine	185383.75	233893.93	194989.59	209948.32	261399.32	272918.34	259704.83	218438.58	301942.41	216040.39	244964.55	219540.53	210301.05	240491.01	231590.27
Butyl benzoate_1	14458345.57	4773153.75	16153763.47	17541000.99	23802109.57	28385251.38	28622928.27	14554375.84	3927877.08	20772571.06	15981346.07	20785971.83	24401709.76	14914271.06	19322127.95
Butyl benzoate_2	32420298.39	35329210.81	32349360.58	37318019.26	31654918.87	31555868.09	32494362.18	30626707.88	29602412.14	27869161.65	31918548.36	31635304.76	28509201.42	31457957.74	34663602.70
Butyrylcarnitine (C4)	9133414.49	10589111.77	10480239.05	8710285.50	13436240.61	12567877.31	10197790.90	10175438.27	12517905.31	12284804.97	9193726.24	11104613.36	12859441.86	12934912.91	9935835.30
Caffeine	69743804.54	51089630.41	50455953.15	89425396.71	47253291.01	61377675.45	122912736.42	72916860.49	51109745.01	41634081.38	127225437.03	86412361.36	57942304.37	55227193.53	84506787.47
Candoxatril	121924.87	143637.67	123031.37	970500.91	128964.19	131073.50	805765.45	124481.57	130169.45	124311.81	678835.76	139378.52	147244.01	132498.65	1449539.79
Capryloylglycine	880075.57	904254.53	879196.34	1170131.29	763833.03	771705.43	888346.63	685521.38	689750.34	618497.52	808780.03	706409.80	586761.24	752132.89	895952.34
Capsi-amide	2013583.36	2483312.68	1909594.25	1949174.81	1981509.35	1966341.37	1978695.60	1965402.78	2102394.45	1912897.74	1950879.98	2010903.59	2110394.77	1894293.19	1985795.38
Carnitine	2156091.86	2044726.18	1917249.41	1574332.33	2841123.78	2690702.50	1670918.97	2869627.02	1971277.16	2628215.01	1718314.17	2333967.96	1987382.48	2400303.23	1685777.25
Cefuroxime	12887073.83	7834117.43	8867504.08	31778130.38	30288246.88	16227071.15	42156581.58	10878199.78	6990281.17	14846126.41	30730641.91	13460293.43	13629095.97	14778793.55	35460345.57
Cetrimonium	6421506.33	5376581.48	6635810.66	6416135.23	7873332.37	8242142.82	8490393.96	6923585.38	5189173.91	6276118.54	6721726.76	8629699.69	7075416.77	7551702.84	7468730.04
Chlordiazepoxide	2028523.34	18819093.61	387632.44	391299.81	410174.11	414605.03	410018.16	634904.11	415602.23	1151714.33	1165427.40	424181.47	450591.46	397360.58	421184.93
Chloroform	7691763.39	7919312.24	7722415.10	7494327.12	7628453.25	7559447.30	7417515.95	7573928.67	7369755.67	7567626.81	7403791.20	7439882.15	7339065.70	7598484.49	7429663.40
Cholic acid	277440.43	190918.72	376784.07	682848.05	963641.08	633049.44	312312.52	1170365.90	1638795.63	177915.03	431821.68	279239.39	178768.78	184636.52	528823.96
Choline	953728.60	1418506.23	974506.44	1327053.62	984968.78	1080402.15	1450816.54	1088795.52	1292707.02	1195809.75	1619899.16	897029.50	1076499.59	980006.50	1481535.96
Ciprofloxacin	3519359.41	3417767.21	4048266.52	16614764.05	3826109.48	3975735.44	2934747.16	22902972.02	3093755.40	3781923.42	3089796.32	2854317.58	2947422.32	2731224.17	2811420.45
Clozapine N-oxide	68921.60	79647.84	98079.06	482450.81	70417.58	185842.86	468929.68	68805.89	72495.44	143120.36	413547.77	72411.39	92063.87	174826.76	282586.78
(-)-codeine	59801.33	73921.65	63825.22	47583.33	61336.35	62124.90	85739.62	192351.98	79637.75	58884.59	98166.97	96924.31	73049.25	577157.41	226749.57
Cortisol	4111315.36	4272209.93	4641386.47	3530098.78	5177785.03	5638464.19	3441273.38	4635877.58	4939556.60	5194475.91	3516223.45	4936815.26	4334525.86	5140653.72	3940215.78
Cortisone	200919.76	237383.98	204197.64	221843.60	247043.77	237065.47	252115.94	220333.74	217772.91	250844.77	205538.36	203897.85	203753.09	208899.33	216184.88
Coumarone	1158226.29	1322301.49	1062097.36	1336386.78	894548.51	917841.71	955300.42	910898.75	1043350.80	792117.93	883629.43	845277.03	633113.91	918892.68	1031582.94
Creatinine	682847.70	789540.08	672428.51	681717.69	4815380.54	2286774.49	709624.41	690109.26	729881.66	671346.82	680173.84	751039.98	784798.24	687154.77	740077.24
Crotonic acid	8579150.18	9523208.23	9024941.33	10341682.69	8483812.71	8093997.11	8787128.07	7793957.75	8302892.55	7278347.00	8300193.56	8725801.17	8389534.01	7972289.23	9972278.06
Cyclohexanecarboxylic acid	3146163.08	2402078.67	3278638.20	3277427.49	4683899.68	5051190.93	5353969.18	3096429.02	2133119.13	3199559.07	3496964.94	4394318.85	5756750.37	3071399.02	4476030.01
cyclohexyl[4-(2-methoxyphenyl)piperazino]methanone	3592467.76	2279231.65	3820296.31	1281674.36	5226269.71	3377602.61	1733720.48	4513948.15	3003035.63	2750746.94	1271350.25	4819558.33	3236643.71	3017424.87	1384194.29
Cyclopentanone	5314617.20	5638083.79	5804421.53	6159052.57	6931607.76	7127509.49	6564608.87	5309280.18	5401134.63	5401177.76	5345493.52	5428199.58	4950381.83	6113194.94	5780514.22
cys-trp	4113146.77	5179050.92	2648312.66	538927.63	1712467.71	1279383.70	643305.10	2776667.59	610655.12	846821.94	786143.88	712076.29	431742.07	835037.41	432003.63
Dambonitol	199260.06	297650.75	189410.11	1538828.99	231799.15	279082.97	1161651.35	163395.53	238769.39	165963.34	527476.42	186527.53	295773.20	175099.93	951968.46
Decanoylcarnitine (C10)	6636916.81	6023945.41	6543247.14	5890544.87	8070546.68	7938803.44	7568242.99	6994715.11	8526145.56	6454377.33	5645079.88	7712768.22	7444126.99	7444417.11	6913876.55
Deoxy-hexose1	2972666.61	6794579.96	3686731.81	5241102.50	2658733.48	3136422.78	4111198.79	2805164.77	2420701.97	2913745.00	4670878.89	2583631.40	2483174.25	2472425.18	4418008.78
Desethylamiodarone	588741.36	156146.09	752585.70	645252.68	1171021.93	797664.82	484026.32	342849.85	142751.36	137309.51	125339.74	701715.00	124621.65	906401.05	507109.01
Dihydrocodeine	888912.89	102082.16	86249.71	280966.83	90948.62	93078.81	138895.77	92831.61	182104.24	86356.52	396034.74	160997.43	336823.88	89722.02	97716.64
Dihydrothymine	19202647.47	22626452.76	19675130.04	16948781.64	22651492.45	20024308.50	17771660.59	18163106.58	19455748.22	19291411.30	16387666.75	17567430.19	17198788.54	18329414.15	16683280.77
Dipropyl phthalate	10588461.04	6958189.79	11419080.61	12551912.30	18434396.29	19455004.90	18367215.90	11118221.33	6010186.09	13210198.14	13239996.39	15994308.28	23626434.80	13113266.37	16376251.53
DL-Mevalonic acid	4699118.61	5748083.90	5006608.10	5506675.81	4546201.72	4488270.71	4834340.66	4165256.02	4445543.74	4033445.20	4554457.75	4712122.89	4686822.15	4449653.11	5237028.30
DL-Stachydrine	152319988.73	366046947.78	168675013.67	247523307.06	127576676.26	163804100.14	214810270.52	158440550.42	184317137.47	195528941.01	233033509.23	122852181.72	126432659.90	144621679.81	170877609.85
Docosahexaenoic acid	3511655.97	3424192.98	3591423.59	3965029.43	3632598.67	3323700.07	4238627.48	3694209.18	4483764.37	3912613.17	4108673.82	3798389.55	4361773.19	4328903.04	4395706.21
Docosahexaenoic acid ethyl ester	333906.91	204470.44	572639.45	732580.88	866283.99	999564.46	509148.96	1295674.25	1755052.97	209791.76	354736.03	324750.68	177185.34	201803.40	907315.53
Docosapentaenoic acid	784471.86	897978.01	817342.88	871194.43	780052.93	865471.02	1000057.24	890555.70	1489858.47	963816.69	939786.20	835245.68	1236834.91	966237.18	944707.80
Dodecenoylcarnitine	2998710.58	3458444.90	3131116.95	2364223.77	3566920.75	3259915.80	2720281.34	3334337.08	4457372.08	2962179.59	2416406.65	3291734.27	3377591.87	3530730.98	2911453.29
Ecgonine_1	9672417.32	14005129.98	11300926.93	9446407.23	11422863.52	12420561.79	10222540.12	10792631.64	14814689.14	13610671.02	10401397.74	10527183.62	12729961.63	13368779.47	10131451.14
Ecgonine_2	1814054.91	2289637.86	1960126.79	1968352.15	2050264.83	2107469.23	1823432.76	2299233.09	2533773.18	2247107.07	1745177.53	2172033.11	2703942.07	2140052.82	2101239.18
Eicosapentaenoic acid	341776.73	286387.11	290616.58	352237.41	301933.32	322870.49	585782.99	321483.79	420969.83	320223.69	474221.32	314260.62	381789.73	368699.33	460317.43
Enoximone	56263.50	65315.01	60481.72	35553.30	70102.50	120820.64	37630.79	59636.53	35265.84	61957.24	36893.91	52550.03	43074.96	55620.03	36754.32
EPEA	3477128.90	3383578.64	3536649.86	3923174.56	3609088.52	3287829.50	4221899.06	3605232.84	4495790.64	3846354.67	4046450.77	3766131.67	4334726.18	4190515.76	4395998.65
(-)-Ephedrine	1022331.94	3685255.15	1721083.53	1448570.99	1039363.23	2383199.91	760617.34	1230183.40	7938677.23	2194914.53	1313785.89	1608690.91	2371255.70	3973591.41	5944021.10
Estramustine	123942.36	375024.28	106135.13	129529.00	386211.72	449643.87	346913.70	196598.68	244623.49	235939.17	359927.00	164667.59	97102.61	213421.41	175276.70
Estriol	363016.24	188652.22	365781.91	460208.20	836191.53	913580.23	865007.17	244437.62	195009.44	321879.80	269261.18	831590.36	1501318.38	349080.32	799759.54
Ethyl 1-methyl-1,2,5,6-tetrahydro-3-pyridinecarboxylate	328898.17	399760.18	341356.47	397562.98	272843.73	309157.96	297584.33	267341.40	243133.22	245443.36	285140.84	265440.95	214602.07	279082.11	310581.04
Ethyl 2-[1-(3,5-dimethyl-2-furyl)ethylidene]hydrazine-1-carb...	8434190.50	9547921.92	9025994.20	2823785.53	9672830.92	10954723.78	2777653.88	9566941.01	2762131.53	6974983.91	2761883.08	9444593.21	4202941.96	8114682.07	2992173.81
ETHYL 4-(ACETYLTHIO)BUTYRATE	144971.03	159910.46	149477.60	85349.15	135613.17	137084.84	90899.32	150278.43	84336.14	152087.64	89183.98	121733.35	100853.74	141256.15	90704.39
Ethyl acetate_1	15627247.82	18758950.42	15795916.11	18722566.42	15948778.18	15916375.63	17108660.77	14250108.14	15212414.09	13906526.76	15311673.38	15017440.88	14984607.28	13939318.41	16972909.59
Ethyl acetate_2	5183154.95	4811082.95	5010106.59	5297873.46	5519007.69	5405476.88	5540635.99	5214830.93	4644064.93	5094811.32	5344640.08	5261615.74	5003097.28	4894696.26	5494556.55
ethyl vanillin	688030.23	944602.65	710746.88	818196.55	703286.38	662390.37	744844.24	704128.19	796571.06	741536.84	787226.19	728996.98	864965.49	812995.50	863054.24
Etodolac	49347.76	26762.55	24483.23	26342.23	27379.62	27463.78	19786.31	24120.99	36322.44	24147.57	27474.64	32543.70	59907.95	26618.01	17329.90
Fentanyl	92736.70	97561.25	99776.87	159232.13	108985.17	108670.80	126403.70	107631.58	129451.20	98422.30	125898.09	849997.73	114428.51	97263.72	122765.45
Formiminoglutamic Acid	2268753.92	1836503.15	2036281.15	1528154.75	3613851.84	2709903.65	1729569.75	2552298.44	1880341.26	2019144.63	1540129.12	2799208.51	1776590.87	2560396.98	1742146.60
Formylkynurenine	197820.10	105978.60	249300.50	81612.43	238723.54	137893.02	71746.72	357037.23	72476.30	214434.49	78126.19	342101.08	112342.42	334251.42	80756.83
Galactos/glucos-amin	50857470.37	52410269.99	50401506.58	47266760.08	52161395.72	51060710.76	46911125.00	54859021.68	56978893.20	54777223.39	50448294.01	54154903.95	49234346.51	53301213.01	48650927.36
gamma-Glu-gln	667573.95	724252.47	734063.85	901633.98	683785.73	682674.92	806444.75	673956.11	920470.28	763303.57	974372.90	768955.32	1017629.79	736490.71	852085.23
Gliclazide_1	877474.04	1017066.23	872674.87	878486.58	1030278.37	1791796.18	9721065.74	1521791.34	934785.44	1550090.08	1443820.02	2083309.56	994884.68	7689689.35	939998.12
Gliclazide_2	67023.77	71327.74	72881.14	42016.33	272304.32	159497.72	44343.85	71224.60	41094.08	74016.75	43122.58	62831.54	52474.76	67776.55	44898.49
Glu-Met	119108.65	122508.76	127601.66	101109.85	130834.55	143211.41	107787.32	134910.36	122480.22	158008.54	122260.42	174997.83	212664.09	111612.30	99510.20
Glutamine	94716391.84	102560157.63	82193726.74	75154536.12	83246427.81	77678369.98	78175501.41	86036583.37	76102029.19	78983873.79	77364410.44	85586879.63	76157410.72	79618381.59	77503937.72
glutaral	3849493.54	3069382.74	3267632.43	3917975.66	3964706.77	3229921.76	3756065.53	3578234.70	3048155.85	3590698.19	3735141.99	3547439.31	3263785.87	2918293.02	3728868.66
Glycodeoxycholic acid	225039.50	73687.55	189381.40	299928.77	200280.98	159787.55	308649.80	137182.53	126945.58	139644.52	369214.23	221061.93	104886.17	271205.31	163493.87
Glycylvaline	300302.40	790471.21	205237.90	293591.12	549046.72	252294.25	447966.87	364549.94	449027.35	331426.23	772538.33	554778.65	360831.09	440501.39	654989.52
Gly-His	233722.25	167243.89	189311.82	271116.33	198428.44	233554.19	347970.94	240968.19	149499.58	139722.99	363110.10	289403.05	170040.00	184918.46	319860.82
Gly-Lys	1613045.32	2094390.02	1628582.15	1455108.29	3240811.69	3083940.27	1818984.60	2129438.22	1848097.33	2153552.07	1382561.64	2814381.19	1661051.49	3001641.88	1730213.46
Gly-Trp	6975302.24	18007788.40	6484320.75	1163529.78	5065110.08	6149319.27	1194851.65	6816513.97	1173921.79	5299722.64	1233766.52	6475642.77	1890889.69	6219392.72	870618.67
Guanosine	115408.60	132392.90	109368.75	128944.89	107912.40	147240.68	184813.69	106244.65	100898.13	104082.94	120484.04	127269.49	137798.57	102360.07	147615.41
Harmalol	635773.62	332973.01	811613.17	283864.23	1147405.26	1842708.89	292449.74	843677.29	302499.06	2192790.27	280210.32	1841409.57	351297.84	292648.16	309894.40
Hept-2-ulose	1757646.80	915535.86	4202423.29	5464798.83	1277840.84	5536338.11	879618.06	5305878.54	5136202.97	5346942.62	654187.65	2977619.25	19041875.94	610303.33	509426.11
Heroin-d3	4526404.49	5124358.98	4568763.78	5660691.54	4970118.83	5262010.75	5700484.59	3555410.55	3575811.50	3330528.84	3805905.26	4452701.68	5144140.17	3722210.38	5401592.40
Hexadecanamide	880375249.64	1016105706.79	865216209.72	878574147.74	901154219.19	901992292.30	903955160.14	876649547.27	944431491.63	862719226.57	878165402.44	926622673.74	980202723.97	865666285.69	923725324.64
Hexanoylcarnitine	5763167.88	6120018.77	5929671.05	5234668.81	7350600.20	6415308.16	5764129.38	6184822.16	8666405.35	6003754.13	4897138.30	6819029.54	6314242.48	6429952.53	5623527.06
Hexose dimer	1065792.43	674733.93	1564821.91	618907.60	1396216.29	1948260.88	841836.87	1012306.39	745693.07	1440441.42	885736.67	816042.31	696113.42	1078354.06	602936.28
Hippuric acid	3075493.14	2621835.95	2816352.54	4477134.16	8008257.04	4548195.40	5153503.35	3360777.56	2504351.29	2995251.33	5516193.21	3444666.11	2488448.42	3336641.97	5305104.13
Homoarginine	1971444.89	3086830.99	2209293.12	2479315.74	1627739.48	1976773.03	2060974.58	2219939.62	3447810.08	2642537.94	2833814.37	2101120.47	2711490.04	1950041.43	2499785.91
Homoserine	11912304.68	12750265.05	13111246.87	11759912.51	16199436.04	14856529.88	13222196.66	13330587.35	14000875.90	15368600.84	12184161.89	13677666.80	14364507.77	15746864.98	13302230.00
Homovanillyl alcohol	50553065.32	51828892.52	49544641.33	22577871.21	54137593.73	57202240.01	23841028.61	47216630.33	69687751.49	46797423.61	21313070.87	60921536.29	70901441.91	53087824.46	26419742.18
Hydroxyhexanoycarnitine	764585.66	857983.17	832115.88	819246.90	951702.54	902099.96	862581.38	793275.77	932730.72	833336.12	758422.08	855320.42	735903.30	1233025.30	768021.72
Hypoglycin A_1	9909959.47	17177481.14	10593781.19	11792201.82	13973499.84	14520035.20	14243461.27	13342868.94	11630492.45	12853088.59	13531863.55	13197969.34	13745553.75	15406799.15	15119226.61
Hypoglycin A_2	1840411.52	2158708.06	1914046.87	2085205.29	2661957.14	2453818.38	2625266.51	1841193.14	1595138.89	1898954.91	2001217.31	2134574.82	1781313.99	2475876.55	2541284.56
ile-phe	874515.87	1755099.80	745934.06	907411.56	1035435.77	877440.48	1142377.84	1029563.99	1117708.16	887052.85	1116534.37	1031603.63	829234.43	943467.61	1150683.17
Imazapic	2710797.48	2329074.99	3904452.65	1027977.18	3589446.12	2461460.90	1061079.55	4644793.62	1089136.50	5107603.74	1066023.82	2838616.98	1579737.51	3896651.66	1135867.97
Indole-3-acetic acid	6074657.26	5394260.53	5716861.23	6790398.58	5917724.01	5300281.47	8779017.64	6721470.46	4900039.05	5141716.19	8469347.15	4945822.43	4582666.39	4894009.49	7141605.15
Indole-3-lactic acid	3194346.89	3656980.98	3064122.89	2566185.98	3918996.06	4240188.19	2931299.26	3596313.33	3017757.24	3881585.45	2884786.29	4060055.01	2939795.41	3162566.73	3578684.85
Indomethacin Related Compound A	114513.26	130715.72	125748.57	168607.34	223669.13	243095.44	315635.05	233335.58	78379.77	375780.94	474583.17	128675.99	89264.32	176717.05	292174.20
Inosine	4118168.47	4001242.75	3744632.30	5200188.82	3831151.51	5022379.50	5837205.58	3889294.78	3948672.81	3858140.06	4550619.22	4365587.81	4510731.74	3948511.96	5492768.54
Iohexol	456094.76	541833.58	821978.83	579688.46	465757.77	2888366.00	458163.13	445581.85	466213.10	439060.31	440359.25	2029375.32	553020.27	4480858.64	517874.84
Isoleucine	10968227.34	11641065.27	10830556.17	12629800.41	11403442.82	10296703.15	14586515.03	11478745.14	8743719.11	11322981.09	13344478.36	10400910.19	8582507.69	11938101.96	13019384.49
isometheptene	2620088.83	1853516.71	2897199.20	3079643.73	5207067.25	5370544.50	6278434.39	2378535.93	1628332.66	2893282.21	2640816.61	4833623.56	6403688.25	2490979.57	4465769.31
Isopimpinellin	1706447.32	1589186.24	1650191.93	1708943.67	1560747.90	1547445.07	1704570.63	1521617.15	1300680.68	1464038.72	1622685.29	1650991.02	1382906.93	1721661.56	1681806.60
Isoquinoline	461848.89	661259.30	471348.62	477898.26	419233.73	442809.39	488802.25	438390.67	497262.81	459482.08	486992.20	417404.02	474709.69	424392.14	472293.03
Isovalerylcarnitine (C5)	8242292.31	11772608.13	7387485.58	7450588.00	10202450.28	8035861.61	8302547.05	8670520.98	9156857.68	8615938.32	8031538.99	8547464.91	8234988.78	8287024.39	8216281.11
Kynuerine	3502205.13	4711162.57	3622985.14	3353861.51	4932098.77	5443254.22	3492265.73	4002667.20	3492825.13	4393994.70	3586922.86	3885205.17	3286901.22	4029360.65	3343746.05
Kynurenic acid	73862.09	107591.75	60902.90	74032.09	173676.65	108069.18	67275.72	71393.17	57212.81	76560.51	68320.11	72659.38	67189.07	69092.57	77794.22
L-3-nitrotyrosine	435831.92	276398.27	294371.83	204041.63	1547474.59	562900.68	206915.27	395336.32	220756.05	700331.29	207873.49	1039582.68	344607.68	316297.75	223070.69
L-alpha-Aspartyl-L-phenylalanine	106577.51	68387.27	84968.87	74623.32	237084.83	288111.31	90872.42	142902.10	98815.21	143751.64	82497.21	163407.30	77614.48	159517.43	92992.58
Lamotrigine	15603563.64	3230888.09	19890958.24	26535902.95	2817462.64	2832541.86	2811095.74	2705392.12	2925826.28	2660886.07	2696044.12	2976807.67	3151575.16	2780216.05	2981459.42
Laudanosine	4731136.90	6197416.86	4808409.44	34278681.12	5077611.92	6296044.34	18742852.29	4905106.51	5895528.80	5824949.68	28507997.86	6066692.33	9172154.65	5660858.58	27085570.96
Leucine	325691.98	159410.05	348966.50	242031.57	690041.99	547131.98	428175.50	229512.85	206376.43	223027.94	611929.49	316928.23	167228.87	226127.63	566783.24
leucoline	1958128.40	1681899.93	1808850.48	2211473.63	1914351.42	1654007.94	2885621.18	2197407.92	1465465.37	1569267.88	2890275.62	1516911.73	1426169.21	1452779.02	2310343.90
Leucylalanine	467303.27	705976.71	438931.88	557813.35	403679.13	395738.59	458947.37	460871.80	596658.68	408292.65	515070.35	384207.89	412126.26	487352.45	563380.17
leu-ser	302797.87	402105.91	337866.67	263712.29	342517.01	334619.05	253992.37	353022.91	212993.17	483812.19	264743.78	354708.89	349442.28	352299.85	301401.37
L-gamma-Glutamyl-L-leucine	1767401.62	1621164.46	1682431.68	1399027.15	1786828.55	1594396.56	1558830.39	1883992.86	1132159.85	1672675.49	1496480.14	1643918.66	1492959.67	1658089.54	1465477.40
Lidocaine	8662578.49	9642097.20	10999051.41	55285691.01	14640966.17	13319654.42	33691942.42	10465173.28	18255777.81	13204771.37	43493124.95	10347681.43	17643455.75	10422396.40	60708633.50
Linoleamide_1	5761390.75	7368004.99	5003093.85	5481188.58	4920890.81	3746582.69	4576067.55	5945219.53	5758467.74	8355053.23	10013633.54	4251325.79	3645233.50	4468897.85	4083502.81
Linoleamide_2	20077497.58	16717927.84	13105158.30	13350199.42	10860415.12	10354526.42	11334383.13	14391923.82	19923908.34	19235397.54	20685409.96	12131731.73	9745758.56	11666915.08	11490218.81
Linoleamide_3	20209888.79	22241692.60	20299136.62	19956483.79	20318247.98	20311862.80	20628592.44	20169004.20	21465558.03	20024172.50	20495062.04	20150335.30	21292661.89	18886430.99	19733602.76
Linoleic acid	1963206.58	2382289.85	2009592.89	2025898.34	2028640.61	1951232.21	2118811.59	2060835.11	2592526.68	2011030.04	2081336.83	1895014.07	2210600.34	1942423.29	1947567.08
Linoleyl carnitine	2112578.76	2107990.82	1977552.21	2378273.87	2023416.84	1686748.16	2203752.86	1958442.83	2312009.39	1739233.03	2270359.86	1903548.95	1775310.27	1772192.38	2233528.59
Lumiracoxib	967878.70	897115.26	964072.02	513613.35	2006197.55	1411149.92	552261.60	1083200.79	828467.41	1343585.15	538945.09	1116015.83	942598.97	788106.82	556902.93
lys-gln	1440663.56	3757177.39	1643922.44	1964879.14	1401281.91	1478806.20	1705046.87	1512400.36	1790823.21	1810864.98	1860551.84	1297544.76	1305705.47	1551573.54	1472442.90
LysoPC(20:5(5Z,8Z,11Z,14Z,17Z))	4244375.87	4523682.94	4117920.59	7444243.62	3631406.98	4491455.04	10468066.48	4091237.74	6953184.31	3126046.52	8968431.51	4242287.42	3924045.31	3912737.82	8170146.80
lysophosphatidylcholine 14:1(9Z)/0:0	4087372.71	4113132.26	4144891.78	4282987.40	7816381.33	4202381.65	4209863.49	4419655.84	4076698.43	3909865.27	4377242.50	3833219.07	4113617.95	4157445.65	4560700.83
lysophosphatidylethanolamine (0:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z...	1082639.91	829753.55	1008677.20	1305762.51	957851.70	783036.03	1581136.17	1071241.70	1263643.41	855105.93	1509648.02	1028530.45	1409371.57	998961.24	1472413.08
L-γ-Glutamyl-L-alanine	598284.49	700868.99	660998.92	755611.78	573855.76	661079.50	735810.50	613957.25	766751.81	1088146.71	868411.10	669795.19	1172760.41	613555.71	761237.93
MC0555300	82897.07	106772.33	57858.02	107240.82	77510.39	77096.83	142431.70	62383.05	58742.66	49559.30	119996.43	91229.34	59454.57	73376.45	89594.35
meglumine	7281416.64	8123087.44	6874764.69	7557600.89	6481016.57	5819682.85	6556986.24	6908300.05	7199774.96	6750232.30	7084986.95	6491214.20	5593134.11	6151741.81	6298220.41
Meglutol	58642153.87	60437243.46	58389708.84	54745402.80	61287357.58	58803048.35	54222908.90	61879944.80	65800107.20	63110283.49	58244825.95	62638855.92	56866255.53	61560988.29	56233013.75
Melamine_1	40978982.28	34251052.34	37791474.92	49203175.25	32964762.33	36906593.42	37848424.11	30479354.60	32132399.96	28725023.02	33075652.33	32279671.58	28642801.20	33744878.65	36973650.65
Melamine_2	738289.25	804666.93	712140.93	905390.83	661982.82	625815.30	699131.92	582106.71	598068.20	511376.21	604563.52	590150.64	541860.15	607960.75	695171.54
Mepivacaine	15298325.73	18201320.75	17407600.50	104764546.15	15969695.29	20557124.31	93317391.47	15549270.00	16193069.69	20449489.04	92570774.90	17699084.58	23348949.86	16703891.83	62303981.16
mesityl (4-methylphenyl) sulfone	8329901.66	8286546.80	8090550.41	7995450.56	9296037.34	8643040.69	7775370.81	7925617.69	8612861.65	7756236.58	7233495.77	7787314.01	8082006.27	7139958.50	7445929.73
metharbital	279829.53	234768.22	259486.75	276230.08	476714.62	471644.17	443129.43	336096.76	243497.93	281726.45	286686.65	304436.17	228888.61	359737.51	352311.04
Methionine	75143.72	101752.87	64565.61	75419.29	162998.17	105467.15	70522.17	73853.67	61668.15	78490.29	71162.15	75286.03	70819.33	71303.36	78491.93
Methyl (2R,3S)-3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octane-...	247865.50	406582.36	312474.25	239537.93	303241.02	359331.58	258554.48	315641.02	422232.89	484595.97	278266.87	275969.84	374895.35	413041.93	273075.75
methyl 3,4,5-trihydroxycyclohex-1-ene-1-carboxylate	352122.62	267628.41	331990.20	367139.24	647098.61	539779.83	410331.43	337574.39	322574.64	306313.65	404449.26	403096.29	301142.74	511205.58	393689.83
Methyl (3beta,5xi,9xi,22alpha)-3-hydroxy-11,29-dioxo-22,29-e...	8459392.03	12166556.17	10116230.32	9589937.45	16773524.53	10032502.89	8106387.04	12625222.58	15052585.51	9800213.05	11150848.14	7751258.69	11495369.28	7441760.39	9055494.80
Methylimidazoleacetic acid	7153189.84	4935917.89	6158663.93	4080247.92	17093596.23	12556120.83	4666605.27	12290323.80	6396788.48	13098932.20	4187980.76	13326909.43	5095484.83	9288911.47	4420545.89
Metirosine	100361.68	118305.10	96515.39	116915.19	94751.31	105388.86	127369.96	86402.86	80659.68	94102.58	116468.67	92701.63	97727.50	89575.46	119928.71
Metoclopramide	1975057.18	609781.31	1130165.85	618724.69	2371483.55	1137899.66	930214.80	2291110.23	1040339.70	1534942.24	500698.01	2135783.97	700017.45	1920217.25	657156.32
Metoprolol	390354.83	241018.68	302866.64	402095.40	293789.99	257327.37	391704.40	850981.85	181243.27	1146011.36	314258.96	413662.06	202045.96	998129.80	405850.12
Metronidazole	239118539.13	305064379.49	294479287.18	220817372.34	459338299.74	475283019.29	220915341.08	254623499.38	285794304.05	392584036.78	321379804.48	247177030.50	367007902.59	237640491.78	308477997.68
Metronidazole-OH	18359634.84	18926601.33	19148747.23	9589815.09	30268836.16	30066769.09	9854350.06	19215975.10	17627390.25	29055855.03	9701110.64	18423614.25	20137983.54	24338235.81	10509352.23
Morphine	839547.35	8728964.58	533116.96	278791.06	642749.91	575278.52	331403.59	1026256.76	361722.21	647928.49	267800.72	898073.68	1642873.30	511699.16	329345.86
Morphine-3-glucuronide	244498.52	322324.51	216223.74	64537.85	331910.74	257424.51	93862.53	285399.77	93819.14	241823.03	63884.27	285360.11	459113.34	294519.20	227368.17
Myristoylcarnitine (C14)	811612.25	840076.38	886929.77	923110.10	845373.66	765133.55	915346.14	831704.82	969462.81	810760.40	926316.88	879867.38	809929.46	911179.38	974130.73
N-[(10Z)-7-Isobutyl-3-isopropyl-5,8-dioxo-2-oxa-6,9-diazabic...	633576912.64	701736527.35	635357219.82	621118031.53	602126271.25	583707955.83	636625981.68	695225431.62	802395227.95	691422340.11	721328165.98	645965622.56	615945790.34	654211723.18	641699442.69
N1-(2,6-dimethylphenyl)-2-morpholinoacetamide	6015334.40	4054237.45	4710598.67	3406283.83	5033739.11	4120219.53	3425861.89	5160207.35	3480609.28	4518543.44	3295398.32	4609339.22	3931515.82	3991923.77	3432302.95
N1-[3-Chloro-5-(trifluoromethyl)-2-pyridyl]-N2-quinoxalin-2-...	1612735.12	2102291.89	2177083.74	2345002.30	5066345.14	2823633.27	2558896.60	3482201.50	833759.56	4160567.62	2037353.68	5909027.91	4671607.87	5763422.69	1383237.63
N1-[4-(1,3-Oxazol-5-yl)phenyl]cyclopropane-1-carboxamide	1077634.54	776302.62	1508112.86	260264.20	886251.93	526755.29	266822.46	868044.35	283189.18	578601.19	289391.79	1365983.41	291326.05	1874054.94	259148.36
N1-cyclooctyl-4-hydroxy-1-piperidinecarbothioamide	1214764.13	1373972.29	1304350.81	1431479.01	1050243.30	1025060.92	996456.78	1144514.95	1419248.66	1300221.77	1262473.00	923625.35	988394.08	994214.30	986530.53
N1-Methyl-Adenosine	3746219.84	4290979.88	3647350.11	3571912.47	4232188.92	4246549.97	3674876.02	4002079.46	3647739.10	3833041.25	3646068.51	3949530.00	3403044.78	4392509.36	3809834.79
N1,N12-Diacetylspermine	157232.51	158840.65	158780.14	100023.63	500552.07	620654.18	105364.85	205895.57	170337.35	165149.57	90787.50	261843.48	185520.26	192449.95	100086.94
N^1-phenylpropanohydrazide	687035.13	649344.33	422693.98	155883.45	604510.23	430796.43	158009.58	857097.79	157729.44	313490.49	182401.08	421294.84	156717.46	414777.14	157505.96
N-{3-[(4-Acetamidobutyl)amino]propyl}acetamide	545109.96	611302.56	579273.78	386675.54	1078912.17	1095255.56	431585.21	703927.96	582002.64	739765.34	395771.76	677788.48	618005.33	750360.79	420070.66
N-(3-acetamidopropyl)pyrrolidin-2-one	31179853.23	35155177.54	33964084.51	32538324.18	45979109.68	46631751.05	35270807.73	34689559.14	35785200.82	36456067.96	33029005.14	34562349.23	31703349.65	38943673.75	33366927.95
N4-(3-chloro-4-fluorophenyl)-6-methylpyrimidine-2,4-diamine ...	372400.84	388022.54	391542.16	438202.54	420340.17	418209.50	399018.82	336881.21	389328.33	354647.98	383292.73	328126.76	332794.17	327870.14	355947.35
N-(5-acetamidopentyl)acetamide	556778.11	388130.64	635420.74	612411.97	959062.77	979215.17	1162064.24	567391.61	348490.16	751994.75	635476.14	941221.20	1186663.11	584500.31	908197.32
N6-Acetyl-L-lysine	3759599.81	4645418.76	3845128.68	3541879.27	4127168.94	4055817.55	3685050.44	3823340.40	3721738.63	3968756.56	3509367.83	3898400.97	3573037.47	4232021.11	3636225.00
N8-Acetylspermidine	1982293.80	2049815.90	1793955.62	1436987.92	2676691.45	2441022.77	1550004.65	2651318.62	1773917.12	2506238.36	1546266.24	2175515.77	1838742.03	2205221.62	1529211.90
N-Acetylcytidine_1	4776623.00	4089423.43	4424806.37	2446743.93	10432771.37	6750820.07	2551162.81	5317931.64	3746118.07	6283842.34	2565352.49	4549208.68	4269229.66	3285986.89	2682011.56
N-Acetylcytidine_2	2420403.01	1993607.09	1601178.70	949660.73	3387701.13	2622988.45	1009835.52	2224078.66	1650073.78	2349016.81	941517.09	2240314.92	1700015.35	1324242.77	1014802.90
N-acetylglycine	1436700.72	1595110.38	1329526.47	1280279.18	1387621.61	1262417.52	1367897.77	1437756.21	1590556.13	1431337.91	1505210.61	1418291.28	1539094.16	1485390.06	1504213.97
N-Acetylimidoquinone_1	1913931.47	1401577.23	1492204.09	1829668.73	1984086.36	1678498.64	1954948.23	2004760.25	1656893.94	1477294.89	2158106.58	2508743.20	1379721.08	2141055.97	2228910.14
N-Acetylimidoquinone_2	1938065.69	12256964.49	1660085.93	896975.84	3388858.33	2499783.04	808532.10	2759129.96	1422022.48	1419092.30	818932.88	2059311.60	1951303.09	1875832.36	1081626.80
N-Acetyl-L-carnosine	895938.15	1376185.70	860619.30	922780.62	1052709.90	1137181.91	943782.72	967684.75	903997.30	1112152.16	976913.08	956735.87	989545.95	948656.54	992662.90
N-Acetyltryptophan	8196158.60	4944407.74	9175689.79	4172186.88	14277086.80	19874558.57	4310656.46	9650579.87	4438688.36	21450149.88	4133097.98	18379350.65	5142544.41	4330304.67	4630850.91
Nalpha-{(2R)-2-Benzyl-3-[(2-methyl-2-propanyl)sulfonyl]propa...	730199.43	1000555.35	680641.35	863847.42	847133.90	579776.87	585218.51	846064.05	970214.05	639439.47	832848.35	558036.41	476242.79	556345.42	648913.86
Naphthalen-2-amine	747459.10	1187429.61	784404.75	813258.70	651712.61	719472.77	804511.28	739915.50	930711.80	741162.32	852832.33	695514.90	830898.90	704189.38	813501.03
Naproxen	913772.15	949340.08	887288.27	855429.78	955317.91	927669.86	940679.69	911049.00	898242.47	918726.67	884213.23	1487501.76	1036645.58	3695546.97	15796552.99
N-Benzylformamide	9528429.48	14630226.60	10031607.29	9464564.77	10122971.69	10097399.42	9827648.16	10038425.42	10240898.10	11190254.52	9699936.47	10216855.02	11154098.67	10589595.37	9834745.81
N-Ethyl-N-methylcathinone	313141.26	236758.64	382469.38	414455.94	728488.46	797711.32	795377.39	222070.52	219898.59	264384.94	221165.24	581243.26	1042589.40	252129.88	544122.87
Nicotinamide	6995639.83	37807133.13	6173254.29	14065264.53	6486965.67	10132401.49	22954246.52	5344898.24	18653814.87	5106501.04	16473652.35	8136865.39	8102326.41	9391569.34	13126474.79
nicotine N-oxide	779798.55	2121775.14	1805166.94	825385.23	1540419.69	1532650.06	740849.34	1648836.74	4999605.53	1080167.61	610597.39	1066268.80	2708621.75	939846.35	679929.82
Nicotinic acid	1840711.34	2345913.98	1726905.78	1619407.21	2112347.08	1997259.75	1907296.04	1933261.25	1874021.68	1824793.60	1669560.33	1996973.88	1938653.37	1828889.53	1933259.52
Nicotinuric acid	187961.09	196026.94	157730.48	186778.64	203586.98	202440.04	201820.38	196230.64	142647.81	161789.95	196931.39	147512.41	133166.91	174102.96	184796.90
Nicotinyl alcohol	17805713.59	19180602.32	17009071.26	9045241.63	18387640.00	19245943.40	8990323.36	16607598.20	22806564.00	16525748.59	8667819.36	20376596.29	23935842.38	18446356.41	10703951.43
Nikethamide 1-oxide	5361389.86	7900193.58	5834094.85	8103161.86	6031379.18	6857465.09	10222753.54	6166887.00	6210378.25	6851424.20	9577983.55	6232355.08	6006263.68	7010221.31	9097342.24
Nitrosoheptamethyleneimine	5685301.55	6234615.57	6339546.19	5975845.96	8334840.79	8518251.72	6958315.68	6366704.53	6487088.92	6708644.19	6034418.42	6277516.88	5817111.58	7166798.78	6102702.77
N-Methyl-2-pyrrolidone	393327297.29	307893117.79	409222149.57	503139415.55	612957757.15	635248892.47	716141249.46	503672764.00	477386561.45	503790273.77	505834048.93	387820441.60	584561620.05	297878105.45	420632920.55
N-Methylisopelletierine	1241216.84	1083660.13	1192224.59	1698550.20	1040817.28	1144111.42	1435381.74	893496.68	913800.69	749547.42	1070213.52	1015488.66	849937.12	927545.54	1229090.74
N,N-Dimethylhistamine	2521816.53	1974216.95	2217143.92	2294960.26	1965841.67	2012983.66	1969553.70	2429021.09	1457327.93	2370965.12	2763832.43	2172987.98	1734357.91	2312558.39	2236664.82
nor-6α-Οxycodol	49282.33	245399.70	53562.02	21341.78	77192.42	84995.37	21824.80	126391.56	744245.75	43181.44	21163.14	84366.16	43239.57	61478.65	39184.47
norketamine	201440.86	878995.86	180594.96	463894.54	337471.29	348974.76	173870.01	226620.23	165132.89	980686.22	186352.71	232604.48	462747.40	179573.50	174467.44
Noroxycodone-d3	14472358.04	13897941.78	14748338.08	15253540.18	15091631.79	16975047.65	16069446.29	15126403.50	13592761.61	14131125.00	15965306.66	14811031.87	14527774.78	16660836.87	16662286.96
NP-020418	1400432.91	1216530.98	1367024.29	1794358.91	1232768.41	1266110.59	1717035.46	1075880.13	1373004.62	883645.23	1117396.55	1094617.69	953534.82	1133794.49	1736468.15
N-Undecanoylglycine	1190006.78	861514.57	1686918.29	1366074.45	2477483.29	3137284.54	3032108.63	977297.31	788720.01	1221195.88	985329.03	2473599.45	3500003.78	1096115.28	1975357.85
O-[{(2R)-2-[(4Z,7Z,10Z,13Z,16Z)-4,7,10,13,16-Docosapentaenoy...	22470365.47	18697423.43	21999154.03	24351277.65	22128412.81	23751998.33	25757056.48	22317552.02	22862855.90	19904030.79	23857883.03	23553842.59	22796196.02	22594451.20	24877272.87
O-3-methylglutarylcarnitine	37936.45	39026.59	39837.89	81064.00	40091.23	40986.52	57722.02	38596.25	46659.05	40054.65	81286.34	181828.67	35013.93	51765.66	55177.97
O-adipoylcarnitine	3181924.97	3308336.19	3256847.88	2174689.97	4624359.55	3824000.74	2301412.41	3497628.24	3270085.38	3139512.77	1989876.80	3951997.73	2984778.26	3997211.52	2289847.10
O-Arachidonoyl Ethanolamine	882250.52	962525.03	927779.28	960253.70	907744.97	942204.99	1065129.19	980100.13	1531676.69	1035454.30	1064529.22	931324.42	1221068.40	1050951.64	985688.38
Octanoylcarnitine (C8)	587312.53	507578.04	619179.40	544452.07	817624.75	788013.53	680451.89	672790.54	809974.89	719872.66	520203.37	738828.06	740161.38	784758.91	585214.33
O-Desmethyl-cis-tramadol	1335047.73	569485.10	1013280.82	470599.99	2356496.44	1855796.34	619869.98	1323418.54	505337.16	522612.71	465679.23	3296824.04	617044.41	2233456.95	498461.13
O-Ethyl (4-hydroxyphenyl)carbamothioate	714625.83	282423.16	386997.98	338253.27	1081268.24	439384.65	205614.38	399054.17	292706.04	354609.85	206106.07	574005.44	274656.67	430239.38	287566.64
Ofloxacin_1	8148922.31	1273756.47	5927844.17	1034754.98	1107471.75	1110915.58	1074495.03	2384444.07	1109345.30	1055015.21	1020708.51	1121504.28	1152425.18	1052657.62	1083860.57
Ofloxacin_2	42436.32	45257.50	41412.49	40463.03	45767.91	43016.70	40610.36	44806.03	43556.14	43899.25	41728.22	44219.39	40845.32	42418.60	41277.93
O-glutaroyl-L-carnitine	2613613.54	2689498.45	2662865.49	2593123.64	3606334.65	3275507.48	2653662.16	2990812.69	2770800.02	3017282.46	2624116.70	3223476.19	2690948.58	3509678.65	3086699.17
Omeprazole sulphone	3371809.56	2369328.95	2962019.83	3895449.48	3432353.31	3912015.46	6548839.03	3911684.85	2987261.34	5001424.90	2524988.68	4313234.60	2681104.95	5585673.44	9911261.32
Oxindole	266713.18	168366.53	287815.19	201478.74	270436.15	303357.00	240197.34	253527.62	162391.74	285074.81	230478.55	231179.73	249592.74	204377.08	229413.76
Oxohongdenafil_1	203438.90	102259.88	239641.67	80851.83	242881.96	217532.63	107429.01	193880.48	141013.06	160139.41	77886.42	340561.20	186175.93	415201.65	87638.58
Oxohongdenafil_2	210609.19	228547.06	272230.59	78733.03	323625.75	401932.63	90616.73	391667.03	927984.63	278835.41	80816.10	390608.63	586433.09	305792.15	114435.95
Oxycodone	422864.13	4220873.30	408035.95	208254.11	474838.48	367206.57	212324.86	1079048.33	2813337.23	366159.35	216246.46	521739.43	323197.50	1230433.44	276664.23
palmitoleoyl ethanolamide_1	59241419.17	61289603.77	47005420.44	46605713.98	43023469.52	37118180.21	41217280.56	44581939.13	54029420.53	60646413.81	68727870.57	42903572.63	29721304.49	40973494.80	38886104.16
palmitoleoyl ethanolamide_2	1571836.81	1783217.97	1521016.66	1544089.70	1712716.79	1568900.30	1682360.85	1645098.78	1986088.56	1608130.18	1634916.91	1583345.74	1853782.67	1518595.57	1601691.75
Palmitoylcarnintine (C16)	773993.67	779136.04	779090.70	838150.17	760525.38	646193.09	775388.95	762681.05	826293.10	747490.99	903900.85	791702.16	742338.86	833406.97	817412.85
Pantothenic acid	1449199.69	1984106.90	1474505.06	1415047.55	1529516.33	1586088.38	1412710.05	1472035.54	1297479.89	1544365.00	1449559.02	1446192.11	1382378.56	1637746.22	1681716.63
paracetamol sulfate	9818838.33	13824594.51	10846759.68	4690762.96	9879660.91	15809985.41	4492847.85	11465206.54	14550058.37	9068647.69	4132110.13	10858538.76	12749782.01	13541054.04	5989243.67
Paraldehyde	23256116.09	21834225.02	20834923.05	22981373.34	21911079.65	21092795.76	22463680.61	21126935.74	19070373.33	21937061.71	21192959.12	21285377.99	21645923.91	19463888.04	22673706.88
PEG-4_1	364034569.26	351253142.53	341099152.38	384842237.92	348630954.12	330377880.91	370098137.48	350344200.64	340220041.91	359449517.49	364445027.89	344932909.54	314893897.20	319638875.74	337416551.37
PEG-4_2	5576738.97	6211991.46	4872463.42	6068629.59	5238879.44	4503195.77	5515604.07	5882355.60	5874903.23	5207052.96	5967165.90	4780828.89	4210511.00	4350017.82	5142978.25
PEG n12	64702302.18	56362533.16	63615892.48	70550243.14	70468925.75	74943777.70	70793386.51	65368801.19	65415959.61	58612446.12	72703360.96	66836409.09	65822764.84	69390457.25	74351480.26
PEG n13	75482334.43	64628293.83	74755206.13	82653436.10	73920176.66	87518104.68	84778350.83	79118148.00	80910275.46	66966509.43	83890575.64	75242079.77	72120589.33	80430367.56	85175907.24
PEG n5	339829891.17	324595430.90	321752450.29	346833286.37	359994373.21	350278031.31	363833246.11	340413961.96	296778393.22	322207329.23	350927267.35	337037918.49	320785429.16	314883593.88	355587417.34
PEG n6	193269658.62	169224853.56	189498080.32	212649143.66	196221788.28	221508744.09	223832462.54	197226194.78	179773884.84	171105641.03	223059612.92	190862394.33	182298688.93	201632352.96	225363559.35
PEG n7	142872726.82	118790669.51	143368939.34	153568263.54	141427871.38	165998733.21	159694546.99	145391281.57	135203166.04	131159857.35	170169064.73	132654571.55	130430380.24	143076974.31	167003330.61
PEG n8	130291535.77	103402472.42	131769365.71	132148620.90	142486968.31	164229657.98	141309576.35	138326806.97	122586304.85	124143024.13	146706568.15	119640214.09	120969457.64	132525352.43	146854439.77
Pentose alcohol	137246.86	146181.76	195815.42	120399.42	697088.92	557067.98	132528.50	551073.51	121954.94	397976.76	119030.05	104134.27	89509.28	108085.60	102642.54
Pethidine	223432.72	104377.55	192065.23	62014.37	313391.09	275354.20	140603.63	149031.66	58597.71	104925.52	53957.61	445719.71	92258.96	254196.10	67603.93
Phenacetin	194195.00	291025.42	237672.18	233480.62	236202.24	275983.31	285279.22	234071.68	231570.16	363160.34	250370.81	229020.01	275411.74	295293.57	252044.44
Phenethylamine	232161.64	606527.14	545246.39	242754.12	448853.18	445695.88	233049.84	453309.29	1326207.84	351830.01	187030.00	321245.35	801657.00	265288.58	204727.23
Phenol	8681568.00	12997411.77	9116125.92	8450350.68	9083063.49	9116128.68	8824248.52	9102177.02	9138874.23	10033064.72	8734026.56	9167596.65	10112980.25	9402703.12	8848519.01
Phenylacetylglutamine	13996705.47	10671258.67	12435374.67	12501237.70	13888434.17	13446320.38	12975297.24	14342052.69	11311632.96	16914679.91	14907274.59	13985264.04	11280179.27	17116118.10	15685938.00
Phenylisocyanate	291542.51	346542.40	479034.86	325434.96	885404.48	953369.76	793173.46	619751.92	1412803.65	283814.76	271287.39	871836.79	1737123.92	491952.67	308767.19
PHENYLPROPANOLAMINE	337633.18	240297.76	354057.12	377063.10	583308.95	517243.04	574539.63	326599.85	208396.81	362003.67	328450.04	509120.73	629539.06	311196.54	443991.29
Pindolol	274849.77	208702.66	240317.18	81494.96	159187.53	168593.09	77762.40	183048.69	106214.88	167932.24	66017.30	169162.09	133056.59	204935.41	72838.03
Pipecolinic acid	1649039.23	1748100.64	1605746.76	1501573.94	1616970.61	1537972.20	1577063.71	1555432.83	1552996.26	1552396.62	1537340.19	1609202.37	1568665.93	1613059.14	1556890.27
Piperacillin	5006990.99	3012274.19	2454217.91	2497814.35	5794819.29	9502603.82	2563020.06	16659641.94	2668983.30	9435249.36	2465200.17	16372838.29	2950825.69	7385511.53	2787625.70
Piperine	5846042.75	8928715.84	8184259.11	15280893.16	6591456.11	8643850.45	22936162.47	5520270.94	6265370.29	7006337.79	19847691.43	5472079.30	8628398.36	5592967.14	12722345.65
Pirbuterol	4348488.84	5629012.59	6051328.10	4316698.73	5500839.48	6597703.50	4641132.10	5475943.52	8237830.18	7484408.87	4449747.15	5373083.12	8103831.44	7059696.06	4828071.67
Pregnanediol-3-glucuronide	8434370.83	14973353.08	10047926.35	9859265.87	13942205.66	9706699.54	8910957.15	11191428.69	15592634.61	9218168.02	10113907.43	8634558.69	11280897.35	7502089.13	9737110.34
Proline	19243.70	14504.42	18462.90	14867.89	20384.72	20860.37	14733.77	20538.50	24319.69	23365.91	15120.39	19623.08	17975.86	20104.85	15752.03
Prolylleucine	12042395.59	38798387.50	22362272.44	11046005.54	17949680.99	25572575.72	11399506.26	17050564.29	27538926.19	31380328.29	10683608.53	16185802.01	32088682.32	22760474.60	11557773.45
Propionylcarnitine (C3)	25992677.38	36662564.48	28623914.11	26375664.38	31128686.51	29623911.07	28791855.82	28179868.81	31025509.73	32424578.61	26803490.15	28164724.87	30176873.99	31135737.14	28046996.45
PROPOFOL GLUCURONIDE	9484960.37	11164377.33	12791396.32	22791199.52	16250085.22	37157797.89	19144481.32	13417112.78	24123688.72	34902991.11	19423988.18	13353298.51	24067656.02	14605503.32	18593637.15
Pyroglutamic acid	788147.97	850746.26	813177.30	851342.22	802129.65	845510.66	975094.22	877568.76	1382720.31	943004.71	916829.72	842015.81	1188359.86	919624.13	937046.90
pyroglutamylglycine_1	93540.32	116426.20	86951.25	122957.54	116215.10	86079.13	129402.26	117077.01	131221.30	103577.49	159877.22	122843.89	110970.13	105182.52	141869.58
pyroglutamylglycine_2	930578.11	1596621.23	693464.63	735078.29	1358083.69	642548.78	931527.06	1094797.06	916654.08	899119.50	1083262.99	1274517.02	659941.53	935334.32	981087.03
Pyrrolidine	52725494.27	58405429.55	50521812.55	46565993.03	49454090.16	46722378.51	46752174.23	48949435.24	47448570.72	47685647.71	47054361.83	48926278.80	46845083.37	49664367.75	47341279.72
Quinine	1835051.65	2059372.63	1979084.47	2076278.24	1979192.83	2026647.88	2089627.69	1830749.91	1904043.30	1910210.20	2045440.02	8142317.14	2117439.82	20950501.07	24577086.85
(R)-3-hydroxybutyrylcarnitine	4448073.28	4317921.37	4712563.02	3033113.48	5178109.25	5004450.41	3417668.42	3969325.25	3529540.80	3275724.33	2699662.02	4237785.52	4674695.02	4002866.10	3135807.09
Ranitidine	6726179.30	4976943.70	16628099.56	5867597.51	11486928.61	21641374.43	5147778.52	7433149.05	7962902.37	17545548.36	4075063.81	5505653.62	15207076.60	13310970.58	4473164.93
Ranitidine N-oxide	1781415.20	829748.77	2006356.57	930128.90	3633034.43	4549399.25	855373.09	2591969.59	2623302.50	3318954.73	649283.76	1435981.34	1566348.39	1280749.76	711733.18
Ranitidine S-oxide	414607.98	202700.54	500459.09	220249.21	991333.33	1223992.14	204536.88	798944.29	502741.33	815560.21	162754.65	437754.27	360264.88	379482.26	182020.84
Ranolazine	1038795.74	1022015.39	872296.41	1030499.18	899206.02	921680.29	982632.19	927022.32	1014234.17	915282.90	1024012.75	927753.48	918285.21	994277.06	978159.81
Rivastigmine	248300.27	325680.38	405318.94	876309.56	364540.63	593579.94	430642.61	316353.70	1235526.06	523900.62	682070.25	299410.40	703581.44	366981.49	862803.24
Ropivacaine	163033028.98	116973633.47	165080545.25	41849549.42	127449467.16	97308510.55	39533598.48	120110282.30	41590909.13	150344828.55	36845926.29	100685394.32	90276109.09	124238290.22	36425744.27
(S)-2-methylbutanal	4427522.56	3746820.65	4444257.29	4639080.03	6335959.68	6948650.33	7059941.61	4380095.38	3415727.08	4614565.72	4843532.10	5745768.41	7385696.89	4301959.92	5764890.33
Salicylhydroxamic acid	1856042.49	7180132.53	1898502.63	2594657.88	2137066.61	2368170.60	2683591.28	2121551.38	1786743.55	2566822.68	2963052.78	1476943.65	1720868.86	2054873.55	2901069.73
Salicyluric acid	119495.17	109291.22	121154.99	151018.50	233127.16	314676.38	513820.16	110271.95	121928.11	205334.64	191682.07	177061.44	147856.91	213258.29	239905.96
S-Allylcysteine	672605.02	307376.06	746017.78	1107253.78	383994.79	422942.54	634394.02	360740.68	447886.40	458148.82	568398.91	436873.08	461890.01	758104.80	1116121.47
Sorbic acid_1	1436618.25	958470.88	1468665.93	1672066.23	2955734.23	3262889.69	3382099.18	1295823.54	912564.80	1435348.22	1480680.67	2970003.65	4401869.56	1487986.49	2681711.77
Sorbic acid_2	1456940.20	1627035.17	1501291.94	2062663.96	1406058.51	1468194.45	1705909.41	1173613.02	1114592.62	1048834.73	1342908.09	1207250.25	1074776.28	1274300.19	1637756.85
Sotalol	2436419.21	348160.35	1566038.24	2260566.54	324126.51	324584.10	326057.82	304861.16	330564.81	298990.13	301168.26	315614.77	337204.54	293793.44	315139.23
Sparfloxacin	239421.09	243020.36	249867.48	284827.03	268879.90	262406.18	286424.96	258196.07	310216.82	263194.41	244265.72	263333.75	253952.69	251018.58	290083.77
Sphingosine-1-phosphate	135231.43	243918.86	122338.56	125310.82	120660.91	104200.50	134009.51	131496.96	196775.55	118461.65	146673.94	95457.62	114882.04	100955.86	137182.63
S-Propylcysteine	3500214.74	3841457.27	3758484.16	2594981.94	4379011.52	4766677.92	2943588.00	3598761.29	3446355.02	3636924.78	2497921.68	4164785.17	4212872.91	5280939.71	2725505.78
Stachydrine	3020456.82	3658558.50	3256742.92	4306666.09	3800085.44	5386936.50	5114001.55	3245238.24	4256191.48	4109580.34	5638878.81	2956941.70	3586201.18	4853935.71	4757633.31
Succinylacetone	23795948.33	27944401.74	24036281.37	23474767.58	23711770.73	22681568.37	24092861.19	27940521.15	30678474.54	27436692.91	28357738.06	25175952.48	24547344.17	26226085.92	24640393.57
sulfadimidine	75543.77	78204.85	71625.95	45751.49	79983.33	80225.65	46419.00	70545.01	96472.98	70407.47	43651.33	86547.20	97646.96	77482.41	51011.17
Tazobactam sodium	569385.98	239699.51	190105.63	194434.42	590497.18	1043534.54	200237.48	2717166.98	207278.60	547984.77	191943.06	2499315.42	227785.01	611261.93	216276.04
Temozolomide	818295.78	920727.60	778745.64	968034.02	818813.25	817034.67	973057.36	710831.28	750336.16	652816.87	855272.18	805375.75	734627.87	762140.88	938766.12
Tetradecadienylcarnitine	1760759.26	1735752.73	1740083.56	1450248.57	1677031.89	1688994.05	1489720.64	1697363.81	1933391.31	1632527.01	1276117.50	1784489.50	1748239.03	1733540.20	1645248.85
Tetraglyme	101083981.79	109225258.89	99212507.33	112685566.51	95231605.86	93696176.10	101605536.70	104449802.19	102341857.14	94687523.05	112652847.81	97266981.42	88891407.97	94101965.90	110747775.32
Tetrahydrobiopterin	587509.69	637203.66	629157.66	532234.44	669131.33	636146.42	564302.16	582327.84	593695.82	625901.65	508908.64	583976.37	546528.18	601833.25	523068.36
Theanine	3338184.14	2023603.43	2371209.91	3261073.16	1973801.45	2855953.61	4608330.33	2186813.51	4040452.03	2270709.97	4666001.53	3189708.31	2589616.62	2589984.61	4402070.41
Theobromine	26386384.61	34226303.25	28136283.00	48916336.69	23815059.81	28664529.59	41161097.59	23753277.84	21976861.68	25043818.33	48519296.40	24773322.13	30097035.91	24320125.28	48337864.90
Theophylline	4454362.54	4062629.80	4734773.87	8405438.45	3416249.55	3939548.54	7203044.12	6191200.94	3712847.92	9459009.31	8909323.30	4702931.46	4003329.89	3180963.80	7108740.54
Threonine	205369.01	230704.96	208603.90	223321.32	244074.74	237311.86	245062.45	221671.72	215133.36	249987.71	208835.34	207643.34	210682.73	207946.44	218480.24
Tiglylcarnitine	919710.04	1010972.82	897378.69	906330.53	1372945.47	1267258.58	1024427.20	1155813.68	1061968.14	1256544.35	998057.56	997459.37	935313.87	944377.31	946792.49
Tramadol N-Oxide	596953.25	194130.28	305624.65	173253.32	1315743.74	872489.49	192529.48	556213.26	181301.33	243923.59	172466.06	1181156.03	240657.94	909440.49	174643.13
Tranexamic acid_1	5490302.20	5663537.76	16150582.42	4719701.97	15059292.27	23315973.40	4862627.24	5252737.06	5129212.14	8799626.94	4638134.85	4967485.34	5229953.92	4650370.10	4973435.73
Tranexamic acid_2	1755993.61	2536029.90	2255542.24	2618445.57	2194145.52	2408291.66	3479826.92	1963675.53	1683122.67	3156065.43	3162442.60	2061108.52	2571236.21	2074840.70	2776354.64
trans-3-Hydroxycotinine	780953.76	2885650.37	784277.85	1839296.40	1047964.60	2642782.42	4549391.68	745588.93	2476640.55	1029305.39	2302132.65	850351.21	1268882.08	1417523.66	2221991.15
trans-Anethole_1	11856179.92	7111308.96	12825834.15	13225923.97	18831212.44	20376537.35	17821575.84	13384791.36	6337064.02	14716305.86	14620929.04	17170218.36	22328237.64	13328810.32	16986612.41
trans-Anethole_2	2576208.23	3073092.02	2744000.68	2604138.02	2202435.41	2165532.50	2452481.48	2738136.24	2901486.05	2371513.04	2401275.11	1889805.14	1629072.73	2649856.35	1993643.42
Tributylamine	1463807.57	993605.95	1654546.52	1447660.99	2254875.20	1963368.40	3449271.47	1674377.13	883772.25	1835159.11	1852862.08	2689366.52	2607236.01	1644731.34	2544792.33
Triethyleneglycol diacetate	2561689.83	3226931.70	2499247.29	2722003.19	2655800.60	2384842.87	2441944.37	2675308.98	2670703.58	2612860.02	2628319.82	2394729.11	2188091.15	2115668.75	2526596.97
Triethylene glycol monomethyl ether	25399863.67	29091168.47	25359820.33	28855438.87	24773027.50	24350738.60	25755048.72	22852877.26	24927061.03	21863770.65	23878524.34	24042763.61	21855324.68	23483780.78	25604998.48
Trigonelline (N^-methylnicotinate)	116662.31	129828.90	110913.50	128372.70	111488.02	146126.52	178296.02	109463.32	104183.96	107147.04	121777.64	127918.12	138410.69	105362.35	146647.35
Trimethoprim	627791.05	718118.32	613651.39	637002.99	650399.40	648128.34	649583.01	3328845.05	1854872.33	990002.94	9582463.91	905000.43	687415.37	3424407.02	8238655.28
Trimethylamine N-Oxide	16328559.79	15438076.47	14481970.58	30501008.55	11381351.31	17329357.35	32193477.72	13443202.14	16559323.89	12350207.71	37818855.57	17011149.17	16652432.27	11284515.65	29167934.40
trp-his	613794.55	640180.52	499011.54	652400.82	547576.66	441463.00	729932.55	881574.15	601875.21	663514.34	799142.71	868172.66	473663.81	995893.35	1107214.60
tyramine sulfate	86022.09	54241.08	67333.68	58367.28	182198.40	128975.24	64271.52	110990.95	49766.92	136514.46	59260.47	126537.96	52426.73	115330.72	86617.67
Tyrosine	46219061.76	67896686.28	48431615.80	44674300.55	47843287.58	47595751.23	45997607.30	47906452.99	48362149.40	53031769.85	46264211.21	48609042.84	55887840.74	50244602.78	46528997.18
Urapidil	187779.49	215454.80	228402.14	188992.47	822888.81	500308.84	191071.91	1686756.84	198763.64	1817796.17	184879.69	199481.55	201914.95	468348.28	199171.47
Uric acid	15791783.55	20526372.93	16140500.82	17473038.64	15436649.62	16235168.42	17652600.39	15333536.78	15294191.15	16058339.65	17193230.06	14159899.42	14395208.30	15614847.26	16392724.44
UROBILIN, (-)-	396300.89	235924.22	407346.54	270775.08	335227.77	391609.21	246169.76	226943.01	147735.33	304417.05	147087.86	385745.60	154373.98	813932.46	172867.84
Urocanic acid	2074982.14	1738833.28	1827869.62	3079297.68	5625419.82	3041468.69	3552623.94	2241286.33	1662036.75	1949410.01	3955278.64	2243916.03	1742125.61	2225187.21	3566488.00
val-arg	1641673.36	2585566.19	1382705.09	1728167.73	1506903.12	1208177.07	1771772.66	1679481.16	2036734.83	1319650.52	1616117.55	1452844.73	1362476.53	1362718.61	1884841.00
Valeronitrile	6469851.45	7590368.28	6634915.83	7090136.00	6064962.20	6176556.28	6863338.45	6308754.43	6695159.32	6526353.19	7148516.62	6353683.59	6359715.71	6460224.57	6928180.22
Valerophenone	8699317.87	4922317.57	9740606.55	8944128.12	17458395.00	19253045.69	19856333.27	7582459.75	4234677.30	10144010.46	8253301.48	15209077.34	23772178.82	8467932.85	13000001.56
Valine	185129.57	209011.66	181555.84	171863.31	240176.76	227575.23	192925.09	194634.25	174983.53	181945.55	168843.50	238177.17	162046.92	230996.50	197051.47
Valylvaline	816317.24	1203947.53	855703.66	944542.46	1277698.86	1348065.71	1342936.35	1119215.01	954861.71	1194022.62	1285338.12	1020444.65	1196616.14	1085382.40	1371837.13
WMH	992390.60	1019818.31	973893.80	778491.00	1173195.94	1051026.76	798148.77	1036748.44	871245.33	1041804.60	767651.01	1084185.19	898528.10	991777.09	859396.21
ximelagatran	664286.90	681061.53	594210.65	694333.14	645447.74	608651.82	659934.61	695498.15	747512.71	605690.55	696370.28	642682.48	690703.34	600071.53	682694.81
Zalcitabine_1	47691.91	241943.94	87065.88	36516.52	68653.01	170060.11	36570.22	58342.02	221008.71	169647.46	34898.69	70516.79	214224.00	44961.34	49911.20
Zalcitabine_2	752105.15	884259.80	878743.61	900886.34	1799917.87	1692693.84	1259176.30	1194138.38	908221.86	1172754.74	1049658.75	933261.00	834998.47	962993.57	1029058.18
(Z)-Cefotaxime	957125.86	1124315.66	954189.49	933418.60	974995.86	978894.06	944309.53	958104.85	963273.34	927108.61	5774621.36	1072128.41	1093495.02	1231322.40	33484567.68
Zolpidem	344340.38	299369.51	258504.10	263702.23	1286307.52	503230.98	1032602.84	421970.15	280636.78	292896.34	583762.92	2077206.81	291662.32	1118592.69	278539.37
α-Aspartylphenylalanine	545712.58	1188109.47	435052.34	595065.33	728526.66	396905.78	655599.44	689980.98	737461.33	519080.86	797574.95	706048.62	423811.96	614137.73	801111.12
α-Linolenoyl Ethanolamide	1563705.35	2049677.69	1483467.24	1355472.16	1505283.32	1361758.70	1457418.18	1523708.77	1697155.33	1531181.45	1564666.27	1478312.94	1581817.97	1703413.96	1604704.14

Factors:

F1	Sample source:blood \| Group:Control \| Timepoint:-1
F2	Sample source:blood \| Group:Control \| Timepoint:-2
F3	Sample source:blood \| Group:Control \| Timepoint:-3
F4	Sample source:blood \| Group:Control \| Timepoint:Pre
F5	Sample source:blood \| Group:QC \| Timepoint:NA
F6	Sample source:blood \| Group:Sepsis \| Timepoint:-1
F7	Sample source:blood \| Group:Sepsis \| Timepoint:-3
F8	Sample source:blood \| Group:Sepsis \| Timepoint:Pre
F9	Sample source:blood \| Group:SIRS \| Timepoint:-1
F10	Sample source:blood \| Group:SIRS \| Timepoint:-2
F11	Sample source:blood \| Group:SIRS \| Timepoint:-3
F12	Sample source:blood \| Group:SIRS \| Timepoint:Pre
F13	Sample source:blood \| Group:Uncomplicated Infection \| Timepoint:-1
F14	Sample source:blood \| Group:Uncomplicated Infection \| Timepoint:-2
F15	Sample source:blood \| Group:Uncomplicated Infection \| Timepoint:-3
F16	Sample source:blood \| Group:Uncomplicated Infection \| Timepoint:Pre