metabolite_name	P_112_1	P_112_2	P_112_3	P_112_4	P_116_1	P_116_2	P_116_3	P_116_4	P_12828_1	P_12828_2	P_12828_3	P_12828_4	P_14554_1	P_14554_2	P_14554_3	P_14554_4	P_15_1	P_15_2	P_15_3	P_15_4	P_8664_1	P_8664_2	P_8664_3	P_8664_4	P_9560_1	P_9560_2	P_9560_3	P_9560_4	P_9880_1	P_9880_2	P_9880_3	P_9880_4	P_DMSO_1	P_DMSO_2	P_DMSO_3	P_DMSO_4
3-Butynoate	215993.9884	159866.2917	226246.7811	202643.3255	164943.4128	133911.0485	179853.5048	170937.055	266869.3149	275901.671	263106.9888	256707.754	205007.6467	219348.5229	222811.1199	214302.9237	171164.7826	226751.7604	174400.7698	210085.5913	185169.038	182930.5559	201317.6566	188892.1998	160447.9261	146571.4849	183057.3502	193869.931	205495.4239	209739.4594	307323.4622	243695.6517	259796.4669	268836.6603	281795.8132	395339.5666
4-Aminobutanal	222497.3901	250898.3025	256672.1383	231486.5631	139080.7591	178057.1826	110846.9417	140874.4891	217832.5961	174813.0432	222317.5719	241321.3026	171709.538	225868.0408	224773.4118	242727.7394	177306.3225	139036.2179	145717.0196	184093.4173	241498.204	269497.8854	222805.0474	227965.9638	213744.1515	188508.4261	216920.8091	218927.6092	205827.47	219785.9593	239325.1365	206380.0356	265720.4168	324951.0966	328484.7923	302459.4678
Pyruvate	5382210.396	5428045.117	5009507.516	5086648.137	5497502.008	5639921.253	5587233.605	6044355.871	9617359.008	9638370.374	9520148.107	10159150.45	8516209.237	8477599.586	8020052.038	8044973.4	14455176.41	14334080.42	13294986.59	14369896.68	6072149.558	5761538.621	5744517.583	5853994.398	5136868.502	5488680.895	5137885.322	5313642.361	12720118.5	12735654.92	12046905.36	14074958.46	7135435.938	7101635.543	6421404.867	6994316.408
Butanoic acid	168226.828	82126.36354	121797.1216	170199.7561	144116.508	147199.6627	123165.7737	126937.9547	144833.0986	127971.2287	167348.5374	176379.973	214576.8337	213343.2436	215486.3366	160252.4137	94497.03395	152764.2653	172944.5284	248652.2632	184623.0541	134566.5675	159859.6548	166243.6244	145009.9669	181990.8882	148101.9864	120483.9752	153576.427	126622.058	140726.144	168791.5396	150134.4487	118834.2443	94268.41885	143418.2329
L-Alanine	8182156.416	8142378.827	7683860.255	7988127.599	7929161.758	7320620.935	7107815.267	7269918.258	8893957.883	7923564.958	7499293.084	8550535.934	8202821.934	8118950.417	7489972.295	7690715.063	9290228.439	8062089.385	7635069.122	8421743.006	9172555.354	8364039.464	8812073.426	8173413.567	8639111.624	9878303.462	9051946.051	8737597.203	8875069.253	8154627.216	7951624.149	9109428.161	8067137.865	7495421.075	6497728.818	7339087.515
Oxalate	151223.8654	127742.3095	118484.354	123531.0694	150893.9618	121847.5332	139152.9325	122273.7669	145254.7973	126509.0235	129129.6924	133784.1161	194545.1708	203358.0747	182257.1127	166029.4798	112013.2403	97569.2553	103053.4292	95602.70427	176506.7058	177968.897	168106.1779	143724.8551	155473.5401	154930.4365	142983.6078	128606.0308	122690.9537	105436.3611	115114.9545	109361.678	126193.4392	126646.4932	115227.6655	113406.0453
(S)-Lactate	1167948.264	1153408.207	1059945.143	1290252.314	729022.9781	785526.6081	738335.0758	712932.3169	1187191.288	1108725.103	1093116.562	1363438.617	1179692.79	1072147.478	1273171.118	1082331.904	938948.6874	971993.576	951836.5175	1184894.581	1059339.605	967234.1007	1025381.779	1107855.088	858982.5653	842944.6054	853626.3004	883761.959	1128425.992	1208542.453	1229481.708	1245431.465	1719156.75	1917751.823	1715249.753	1997938.638
Glycerol	146871.7939	145645.9007	142323.8904	161596.7048	128326.7573	109800.2285	118192.9319	119165.0229	441634.5263	390315.098	391925.48	384832.8786	343465.7316	346658.5032	287928.1464	274191.6374	474086.6086	379074.2936	397018.8564	430724.3356	145282.028	157003.3327	165983.3614	138807.6041	110961.2714	94490.02609	90788.70659	105976.5619	443882.2803	408682.8529	371826.4565	463654.9599	184840.3151	181263.8102	183274.3989	196150.8803
Furfural	30338.34432	35163.90528	43474.53784	46384.04507	55681.63725	46410.95023	43729.60739	38917.7662	74049.44415	66816.25992	66904.02087	85738.62184	37239.49571	58012.32297	61692.92538	55938.97466	130383.7005	108572.7841	131913.3583	156707.7458	37921.26697	33920.40227	46736.24974	39701.2778	24898.45331	63768.61592	39972.26352	42115.43951	100052.7616	112073.4272	125987.6484	125934.4409	57003.10391	101075.5583	51970.13213	59283.3426
Dihydrogenphosphate	83097.01365	106486.541	87300.03711	81487.02334	53416.16503	51479.14837	55622.10382	65097.23626	78065.85227	63303.35189	73686.89077	108108.2785	57470.01921	51236.88396	48820.15914	44552.07148	61791.4501	74270.99449	67226.20007	64660.43199	75034.20207	105846.8058	105998.5892	116476.0531	63137.37749	75794.41262	67054.14605	80361.3071	79910.92434	108401.7221	60640.56008	75125.0271	63876.11041	84623.15842	99309.72593	55630.4423
N-Methyl-2-pyrrolidinone	137823.9685	185953.8078	116806.5716	151297.3594	151540.9259	189194.6992	123843.2687	118159.3661	178603.1324	227202.2232	96919.83823	118634.1779	187689.551	136328.3373	229980.2935	215204.632	111120.6691	138799.4938	246119.7473	172685.7861	141892.5476	186468.7945	155628.1774	116636.8025	171422.3647	140334.3234	159889.8329	232694.9878	192224.7446	159180.6408	182883.8509	151313.9359	93981.71397	145025.7844	92485.43822	169647.1872
2-oxobut-3-enanoate	73640.51246	47732.22425	52966.52237	93893.0616	105367.5965	61603.88949	59413.83862	117464.0638	61159.12758	71510.6551	67842.44777	60273.22772	63416.43547	77012.33937	62013.16045	55078.20282	111828.1009	96001.7997	76205.08309	201112.9882	52424.3701	57532.50228	71699.04428	74989.01987	139479.1265	75598.89688	93894.39818	121812.6968	58694.20894	71363.32764	79026.69619	123771.2445	65229.25159	99197.29819	170736.5562	95868.13818
Acetoacetate	57592.95282	65869.73569	130681.952	54335.88941	56637.18608	103139.969	50700.68489	135468.829	69613.25834	83840.67042	79279.13491	85856.484	59381.98652	38210.29148	88235.56067	58577.87668	149706.2745	178664.7738	154126.4915	274784.7816	53278.7136	71571.46142	99150.47824	55607.15186	45315.62834	80219.02845	62767.78065	46873.17824	162087.048	156092.922	100423.4012	102132.4025	92130.22215	74597.74627	83769.2874	158183.4555
2-Oxobutanoate	807257.5401	753771.419	767809.0614	774138.7921	474519.8334	443498.8156	447828.9121	482938.4272	568233.311	533661.551	577646.4574	611240.5609	654702.8526	623991.4343	560466.5765	596759.0381	353651.6362	329904.7239	329303.8514	374185.478	752471.9603	655233.3015	647783.7146	665193.0385	593104.0286	562088.7149	571144.1338	608030.7983	530917.2998	502650.5101	460464.1879	570650.7652	1188379.571	1200831.976	1132174.082	1157993.571
Succinate semialdehyde	103593.312	104713.3879	98889.09942	104047.0339	99399.03454	96945.20229	105862.8472	96682.41302	161611.2759	165640.5379	171766.7898	177774.9056	129669.2902	139878.2542	151593.2399	149054.3022	203602.523	178901.3952	186326.4982	200872.7247	121952.7544	127880.4744	134264.355	116140.7923	79855.05762	95805.31171	91889.50762	90990.09564	194219.0995	192695.0415	210469.1396	211708.1942	135886.9822	129136.1325	114536.7751	121069.7927
3-Methylbutanoic acid	698492.5701	665971.7667	744461.2238	884392.9695	772257.67	658982.527	712094.983	788683.4625	684142.3721	737472.8097	688882.6065	920249.2432	962149.6476	947791.056	961416.8317	1062944.897	695524.3468	744548.9679	705600.9045	933799.7195	835782.775	861923.3949	811286.0138	814098.0526	763916.1816	665063.355	751410.7172	752283.6571	675878.4409	730287.1148	731570.2273	874638.8976	712751.9111	551766.594	833582.3809	857794.1244
L-3-Amino-isobutanoate	336783.5485	370256.4304	344431.2797	362807.9472	401457.8695	369883.4395	402659.3943	386628.0625	339067.8848	347045.5217	356218.802	370323.0308	388553.5384	321002.2223	322641.7619	359185.8364	332331.2008	396973.9559	398322.4356	381685.3172	455922.4971	374608.408	367398.4881	348291.8376	339282.2904	342687.3953	353992.1519	399036.4278	366771.1902	310694.6453	408679.2222	432832.6267	410355.2113	389317.6409	372879.0968	452236.4147
N,N-Dimethylglycine	1177386.779	1069737.659	1051908.028	1062939.682	1070045.479	1059915.187	1058309.535	1089052.91	1042127.399	971182.0396	915470.9905	954884.9115	1006349.494	1068542.053	1065374.419	1110189.893	1307002.501	1061278.126	1037334.647	1234898.967	1047569.154	984488.0073	1008853.051	959165.0549	1115944.213	1109229.734	990105.6837	1020262.622	1409222.182	1228089.683	1178564.184	1229622.69	1140909.148	1073403.318	929398.7816	1025601.056
Choline	49193286.11	46572201.57	55351345.98	42734810.95	27376676.55	22274672.42	21598518.72	24141533.61	28865528.35	30454288.74	30813296.07	24024042.07	24297647.93	21276927.85	26054223.29	23055488.96	36134865.49	31826409.29	27638180.53	36355763.59	39121698.11	35513145.45	35927418.64	28382703.9	55078577.83	48510589.65	39805894.52	48090166.6	30492185.75	32366511.47	27428001.8	30079017.91	24970568.86	22290360.51	23657377.83	23407649.73
L-Serine	1832702.669	1720059.361	1514206.824	1631512.232	1692210.343	1426802.65	1341480.332	1333818.824	1763985.54	1712183.17	1453280.957	1519850.66	1367189.109	1397734.813	1323416.636	1170385.911	1953965.098	1705098.071	1498581.458	1775202.871	1910236.685	1706218.012	1656198.598	1448914.708	1809668.018	1889332.122	1691966.632	1756708.239	2136281.57	2055716.263	1636626.296	1895342.272	1728087.794	1698342.605	1573715.409	1474084.332
D-Glycerate	1421278.661	1334967.025	1264638.751	1340867.015	1207622.905	1299613.245	1245824.846	1378966.946	1219414.941	1177196.888	1233450.168	1236559.069	1117987.88	1127669.445	1154335.655	1071737.02	1632457.72	1636554.123	1605110.387	1779909.025	1427791.535	1390375.421	1479123.292	1330075.835	1533201.713	1552603.714	1460979.465	1399904.202	1717935.834	1759343.23	1706400.928	1893701.808	1322223.059	1250164.891	1158670.827	1238751.469
Hypotaurine	155341.5905	143437.2214	132491.2224	158298.5353	130529.4126	109057.818	105995.6461	96533.54925	133692.8162	106525.2752	118536.0725	118196.5223	105801.1035	96769.66602	94929.70219	95533.00726	143150.4238	109021.3981	99372.92822	124504.3157	133562.8351	127303.037	124317.7792	111704.8257	107233.2502	104023.5705	121453.0624	115172.8518	133951.9307	149987.6121	135336.6549	141019.6035	179883.9404	173413.1755	159663.5293	183951.7769
2,5-Dihydroxypyridine	103221.7752	73821.43748	83197.23081	82848.36194	140026.0507	72887.81733	55381.55058	58329.58129	58885.39828	74204.47192	62121.00763	58799.99202	91909.91262	129907.5842	76295.03271	81648.4085	52636.09021	69776.58586	42609.98365	57025.24925	109573.2744	81971.62081	87827.16288	83700.22021	59931.87664	77316.25349	56515.8731	86936.21565	62780.94267	78420.31135	75189.13535	78984.51816	116186.437	78979.62706	55642.42096	30218.45769
Hydroxymethylphosphonate	42135.33551	46676.27253	49825.1531	52307.83132	58684.07975	62986.2566	59140.81351	56430.68445	43089.04076	36312.52173	44481.20778	47250.34542	36715.56653	40702.34984	35125.02121	31369.72349	104290.301	98980.97196	100133.2071	127869.6552	39801.42723	51314.45531	51844.86783	46010.77466	66968.6299	52951.88385	55756.69615	50558.98921	45141.78811	37602.72951	38254.76129	53209.40133	54493.08456	56771.88206	50993.09682	56799.58539
Uracil	102769.0164	92130.24373	90746.70298	119760.458	123216.8987	97254.25579	98646.75801	92768.45239	242184.002	215226.981	204698.7995	221845.0312	157817.8489	125831.3764	129939.6032	129568.2855	551159.4769	440431.4007	429942.2494	517245.0771	78064.1569	83864.25684	69283.76146	147231.743	170242.642	132906.4378	138284.4163	132755.9024	444742.1827	389786.7741	346405.1986	443756.5891	178768.5308	167641.8669	145065.0258	139177.6902
Glutarimide	201152.168	223228.1664	181724.2972	196937.6582	113333.6907	106578.3038	104778.9121	111897.0563	61981.05367	67731.23332	61578.92653	60671.62481	80420.43502	83125.909	86319.80061	73150.79848	49758.75567	49622.88007	50323.96535	54010.90832	256439.7084	242188.8923	215810.4815	212578.0035	213385.2181	223130.6902	197900.7961	205263.3386	54237.98705	65445.23225	50339.44041	55273.27199	102614.1307	94727.59628	99357.58288	92193.38588
Creatinine	3857586.01	3561328.57	3453292.131	3281347.554	2009778.313	2018046.281	1847129.036	2107077.072	2662076.01	2867753.711	2731824.112	2673172.718	2619806.674	2489035.959	2677205.343	2418790.325	2810837.886	2352691.266	2359911	2458695.198	3051608.481	3038396.566	3099622.203	2815357.449	2429311.684	2534370.09	2726225.129	2328449.313	2922425.416	2486559.827	2725535.65	2849958.888	5249421.034	5187574.829	4722642.024	4903288.768
2-Hydroxy-2,4-pentadienoate	1112589.511	1266626.708	1110904.767	1283120.926	711937.8794	627238.2779	643047.3154	735904.0168	865579.8424	831383.4013	818362.2909	913544.5631	965951.973	907909.5793	855061.5017	893683.9928	556651.5464	540453.6073	533321.9044	560805.5242	1208877.543	1028312.172	1056130.742	1024503.553	918779.2133	876798.9959	893888.8969	938334.5273	828623.3693	782383.0575	833202.8657	866321.541	2021880.633	1834385.978	1768509.146	1836663.982
N-Methylhydantoin	50643.24443	51183.24308	52048.68934	49670.81598	57178.35746	62463.43583	47530.86507	51007.67568	94589.41733	88684.23805	78014.88375	84439.54612	79731.30472	79799.13037	64407.90116	68964.216	134435.0592	103433.6269	99979.11457	114181.0502	54709.74139	56474.41925	67482.15292	46446.48837	50198.27019	58210.35053	46956.91974	45109.7469	99907.36236	126552.2606	88890.69951	101174.5778	53288.3944	59145.14199	68769.13047	59290.25733
Maleamate	689555.4445	646842.167	602980.6468	575594.6782	699486.378	656041.3112	638403.7016	604079.3638	1028915.817	928643.7534	793994.5214	797491.565	808723.43	1021847.672	579731.773	692712.7156	1378194.906	1390629.923	1213741.299	1325792.337	823578.9624	812810.5413	734574.8959	897268.6904	753108.6372	704897.0685	656642.6972	665784.5522	1416129.843	1383026.804	1064608.112	1630314.804	865480.2576	699250.9139	765489.659	858865.1283
L-Proline	112459745.7	113144634.8	106523129.9	116031229.4	100360537.7	98583935.92	100651463.6	92378040.47	91539862.48	84488715.52	89747120.27	90090090.43	86623721.25	90560717.33	81866636.87	83348978.49	112794931.7	100415186.8	96638559.78	104500314.2	106682672.6	108214436.3	100099711.7	96220055.59	128243295.8	120516197.6	116732990.8	127666379.7	106742296.3	94947957.54	101070098.1	105479370.5	98732733.76	94439263.82	93718786.06	98340592.78
3-Methyl-2-oxobutanoic acid	526469.0818	807253.8506	664104.5531	688479.606	737295.6407	848158.5154	892565.6024	836264.6865	580105.9545	917762.1555	892807.1626	1010711.247	452577.518	831164.8775	808832.235	774059.7849	1085800.562	1106306.61	1240261.744	1188741.878	441712.2909	591813.5518	598553.9348	716456.7162	493008.5802	600959.8188	674885.0273	705435.5749	674231.2417	1194689.234	1152128.643	1507411.337	779492.024	1097162.601	1305001.445	1233493.353
4-Hydroxyhexan-3-one	2905922.113	2716174.357	2578924.676	2918498.565	3315627.347	3425125.6	3343373.96	3410238.09	2948902.667	2700539.278	2885439.17	2223806.189	4609610.683	4189058.443	3679339.899	2760193.166	2212064.598	2534483.522	2233897.172	3528348.856	3936564.089	3906515.117	3701578.912	3421683.172	2770175.08	2769777.218	3122362.553	3213932.856	2365805.279	2823221.714	2387637.977	3326315.421	3912320.598	3349228.447	3069700.181	2911799.332
Guanidinoacetate	74861.48611	61656.48692	58848.6861	66488.10238	65383.92166	60876.90142	61585.83884	61892.80392	62552.6234	82873.344	54115.97072	69812.00145	74117.79227	66538.13449	74773.79422	82174.85242	87594.32737	72333.05114	73279.25669	61799.54567	63754.78863	57456.87927	68943.62778	74637.45922	62667.90373	76367.09163	64126.2821	73173.96175	82755.05442	84033.46238	78472.92239	93336.61107	83581.40507	71564.96991	84904.41721	88921.21567
Betaine	163537983.7	141211614.4	129535095.1	132527554	188921209.7	162155429.6	168388952	153957372.6	134539639.2	125295708.2	121827637.3	130091784.3	110310831.2	132831638.5	111740928.4	127238327.6	154842437.9	154429213.8	144811816.2	165733844.4	137746967.2	137527380.5	136436787.5	125024866.2	147595678	148956984.3	141875462.8	152809749.8	146198235.7	159771088.8	143022032.5	176458160.1	179754988.6	170778718.3	174206593.6	139055875.1
L-Valine	2311122.478	1999974.955	2039822.64	1941217.066	2307363.714	2167920.78	2318435.006	2230448.964	2169316.737	2091042.723	2066937.279	2099939.489	2375532.385	2300162.897	2305480.03	2281962.977	2706468.706	2286897.71	2178885.777	2331054.935	1711056.316	1660579.103	1769162.813	1830994.473	1888380.211	1962798.335	1793526.434	1756338.317	2114908.239	2446526.551	2242949.027	2356704.759	2750371.946	2658545.338	2722606.87	2558417.537
Succinate	30891690.22	29089111.78	28235989.74	30202706.78	22536736.81	20181997.29	20428771.12	22075499.89	26546096.86	26121985.98	24954006.05	27625484.66	20809452.42	22464848.5	21961984.27	21555910.96	36239896.21	32887856.6	33822095.1	37561679.89	23176628.01	19806203.41	19965065.24	19987930.56	30415153.51	27149765.68	29165185.15	28250327.37	31966528.38	31869226.29	29868750.34	34173948.83	25963720.35	26230859.74	22388009.7	25303938.74
5-Hydroxypentanoate	86365.4425	95463.55127	142510.7693	160377.5582	206277.8754	109328.3697	93523.64919	120633.935	107104.5318	49508.85776	76931.6906	146147.5623	115400.5535	169436.6561	138879.0711	103915.0436	87447.90645	82358.86318	72336.45791	196987.9953	94708.79904	177957.8365	149927.8287	152728.8029	117808.8905	96850.86298	58632.97879	127569.6532	138043.6905	122533.6937	116110.2371	154226.4092	143449.9416	137964.609	130156.3982	110608.6966
L-Threonine	5353686.355	4661920.106	5439372.643	4878229.841	4149361.758	4268645.697	4158424.237	4596390.821	4170046.902	4424561.604	4328518.278	4693059.938	3832576.091	3860481.895	3867246.935	3625123.716	4286908.524	4319288.71	4383562.175	4213736.532	4584934.079	4502263.257	5043539.5	4137623.169	5153378.623	5373575.319	5240945.449	5538977.669	4536767.162	4661780.705	4246237.901	4789050.604	4339921.658	4119766.835	3964657.903	4083336.325
D-Erythrose	115382.8319	110804.8633	94475.44437	114039.922	91494.29351	96150.98053	88843.69076	138334.7488	135327.9203	113422.2602	111954.6324	115817.394	107041.0143	141484.9013	134138.4352	156175.8194	146359.3013	171745.5636	124642.6769	130049.4227	200740.1888	105327.3486	111808.1268	106544.0484	100618.1913	102346.5418	113095.8964	105251.2715	136545.8338	130351.4357	120040.7646	163390.0314	135117.3461	122717.041	157020.2635	191743.1424
4-Hydroxybenzaldehyde	2371449.355	3480416.655	1419873.41	3259415.668	2311501.802	2619785.978	1609195.165	1975616.329	3786459.915	3482867.098	3488312.159	3844843.769	6138409.563	3548258.949	3921625.04	1974812.619	2484141.257	1915202.448	2987793.235	5507614.182	3471397.407	2635826.513	1990409.51	3274054.265	3964650.942	1670173.091	3933097.511	2000327.713	3836489.984	4001413.741	2683316.596	5158779.418	1399791.45	1724894.029	1706689.297	1644393.227
Picolinamide	2893867.398	2814419.516	3264158.348	3013777.607	2019855.256	2601469.063	1861022.557	2328867.098	1550203.717	2201533.221	1384365.079	1958621.615	1725737.029	1897966.264	1905939.402	1559577.964	1789709.492	1189782.141	1550452.717	2268352.454	2978183.919	2344576.869	2686708.476	2906260.675	2522574.749	2407893.746	2402773.576	2087242.084	1351464.856	2103680.749	1676229.736	2602837.952	3755074.775	3789107.853	3307386.265	4086031.706
Phosphonoacetaldehyde	6325836.542	5991202.157	6035030.456	6167987.09	6215563.878	5462057.754	6271843.243	6304643.255	6929652.605	6316046.958	6004159.27	6425494.991	8122587.084	7725856.908	6822688.034	6773920.381	5838578.077	5580414.95	5345637.398	5337932.426	8139297.654	7017767.988	7220025.871	6699274.699	6676911.158	7238057.447	6246168.742	6922296.302	6479622.6	5419890.43	5170905.983	5947247.183	5357477.734	6021217.883	6064852.15	5791527.957
Taurine	1405638.143	1401923.74	1315902.399	1342608.598	1694474.125	1570291.742	1541283.715	1668780.252	1428663.81	1326484.024	1359661.336	1418162.962	1484307.467	1348919.466	1425472.259	1326894.312	1668668.628	1625248.703	1563276.121	1678600.128	1443880.169	1319043.645	1350230.738	1280844.092	1547853.539	1482812.041	1454081.878	1500477.254	1764594.595	1611817.852	1674309.156	1778826.323	1725655.901	1631035.595	1535572.44	1557930.775
2-Hydroxyethylphosphonate	706827.4323	784810.1955	783703.8972	730765.2957	617054.1417	685625.1684	873024.4116	756376.9909	563560.2088	616617.2324	592916.7654	687485.6591	603482.9123	613174.5156	594532.513	624667.7534	801732.5724	721608.2527	683591.6411	830258.1637	729088.4981	776690.4111	770111.8808	764101.648	813970.1218	794838.7734	829302.6438	828721.6027	854344.9837	719609.4399	690306.7329	907302.7791	719733.7663	641479.0146	613529.7211	686929.4701
Imidazole-4-acetate	96548.65482	87080.52429	95884.90753	84594.23917	107926.1852	135710.1476	126215.9364	125467.8022	66513.32863	69689.54604	76193.40383	88018.73026	73772.32462	73772.6793	73046.29357	103919.2292	80333.05638	86163.04902	87305.64501	93674.35747	82112.60135	72222.50884	74101.81184	77251.74144	115712.3276	124552.3715	122181.1645	112879.9471	100097.1889	94409.75836	76037.57117	101029.5725	64810.22351	73805.32354	89104.85179	88152.57295
5-Amino-4-imidazole carboxylate	77732.40761	77258.71962	73502.92907	75079.64019	75628.3179	76637.31179	71006.73864	78663.49347	83785.00736	80746.56576	88069.19123	86982.7408	104703.5694	104597	108363.6566	110015.6081	65175.97334	73467.43696	58915.96237	63283.62065	92716.37978	95531.39076	91736.84255	84230.85743	86026.65851	87214.61433	79134.2842	81079.90624	69068.65094	69693.50945	62160.97577	77436.82054	71053.60222	68839.95691	70920.92666	67586.65979
2,3,4,5-Tetrahydropyridine-2-carboxylate	1278863.243	1266023.546	1224730.446	1285327.28	1295901.605	1271311.829	1286534.992	1260527.34	1160208.599	1076933.676	1099860.634	1054827.757	1089468.446	1112178.315	1082907.564	1081915.622	1437661.824	1270424.651	1225169.533	1448573.282	1325755.678	1313832.866	1253595.763	1156661.22	1216856.233	1265252.731	1318892.677	1187705.124	1232415.056	1262362.174	1260089.166	1523384.057	1271837.407	1375245.878	1286127.429	1480107.158
N-ethylsuccinimide	1351329.29	1444532.386	1319129.389	1324088.262	891614.4768	906530.6221	786623.9249	841223.5904	630566.9354	619033.8719	555756.698	646873.5799	818926.8802	850767.1885	777935.9325	775000.1156	505967.0938	459572.3411	466201.258	446959.045	1670475.236	1658112.282	1544464.917	1508803.463	1519976.624	1458330.724	1313094.311	1382033.916	548349.0899	555832.751	468167.0493	516797.2843	732799.9747	758483.6744	720654.0461	751388.6699
5,6-Dihydrothymine	994752.8049	1027696.007	992368.0401	870660.2305	1112087.388	1192654.17	1099839.955	1031041.628	1076813.416	1046394.889	1083242.876	1154630.382	1129470.839	1132522.535	1073478.589	1044168.612	1337158.445	1125791.806	1039343.753	1074139.839	1013134.375	922440.0279	1079616.908	944963.5932	1020123.666	915577.9916	941981.7128	981743.2209	1142778.297	1160202.535	1155905.111	1417464.998	1254279.804	1117527.122	1051757.868	1125509.928
3-Isopropylbut-3-enoic acid	109889.5188	62914.21849	86442.30124	73592.24514	101950.4728	80234.63364	72703.17754	81541.05076	69541.4704	72433.11247	73507.31183	82750.15342	122036.3899	96374.13566	76327.7398	79921.49579	50316.26092	50427.98403	55365.5087	84571.59338	104886.189	64704.52782	101095.4462	89501.416	74209.12803	64042.79207	111585.965	104022.6666	63524.99516	49144.28557	55719.84631	86976.38663	59383.1745	74626.83002	59316.54838	69810.56685
4-Oxoproline	1473210.624	1296528.768	1187505.465	1497224.731	1972274.155	1218284.61	1168335.086	1166338.914	2325684.523	1629779.385	1442488.647	1628051.25	1832448.8	1531026.549	1395470.683	1389677.241	2679992.064	1890530.367	1763057.957	2319402.221	1968524.304	1461125.237	1229996.56	1059554.402	1704962.067	1359733.667	1323499.946	1454265.989	2397180.979	2074254.028	1754169.805	2586361.375	2465940.693	2004978.176	2059728.738	1835728.059
L-1-Pyrroline-3-hydroxy-5-carboxylate	8812049.604	9075152.077	8993814.403	9768808.132	6960674.964	7204435.898	7067496.625	7305817.767	8757404.632	9811707.272	9264817.418	10258129.18	7860216.137	8659307.199	8513430.998	8213764.909	10049234.33	9895499.37	10066652.6	11073383.84	8090178.404	8548631.883	8461913.923	7543439.025	8030214.279	8434672.121	8077538.559	7688434.434	10829409.42	11299887.37	11305852.83	12901136.92	11851201.82	12680939.21	12573177.72	12573634.65
(R)-piperidine-3-carboxylate	618828.6575	650774.0187	625593.4054	610700.5314	813674.4979	664024.5648	651394.5105	718124.7449	657834.8261	754050.3832	600295.3635	678387.9143	718864.0328	630355.9366	533860.0758	594951.1185	844503.9001	823161.2798	668931.5946	732843.0412	632612.9187	543054.5969	621835.034	709082.1006	763754.4414	793280.5189	650845.1253	727293.9618	818550.2474	738759.089	763008.8164	857790.1088	585577.4487	905002.4622	594394.1487	656576.6835
N4-Acetylaminobutanal	941147.5382	863311.2964	682353.1362	732256.2269	1263486.388	906931.4154	802572.6266	871855.7551	1105269.694	799731.7115	873387.8358	923801.0955	738116.8694	623358.4574	1100907.5	964098.1787	1134643.132	956649.58	1048367.225	1198622.478	617415.1163	581377.6635	667617.9536	658066.8936	796166.8292	826024.0461	948539.1604	649766.3371	1071510.994	1243723.632	976697.8056	1352749.301	1016146.585	997753.6241	1024117.857	1055008.132
L-Pipecolate	366571.465	330707.3869	315588.5606	366365.9563	356191.4887	330266.6794	311512.8138	380486.9963	334176.8475	307642.5019	341724.8357	319027.507	315768.9528	325451.3298	306527.2884	306590.5932	459340.6157	336978.5546	347200.6637	411072.0219	316768.2294	292645.6912	302226.3167	281688.8026	341790.9816	332382.8733	345492.9865	323826.0796	405969.9596	425274.131	353957.5923	438043.5456	342503.218	320694.954	317804.7333	349579.6197
Tetraethylammonium	270084.521	256776.4106	328478.3096	289548.9452	325537.3718	213730.01	217055.7403	380316.0836	168454.759	151955.981	133263.9643	213623.4994	313063.2972	255764.3888	216035.3683	362663.8129	119046.5374	96531.64995	103862.3324	228973.9823	376786.4659	343912.1615	354045.7708	405840.8219	239448.1158	377423.5714	269240.2996	243342.6142	132020.6678	123662.6827	160784.4361	203977.3034	358332.8325	261413.841	215651.2283	258586.4141
(S)-3-Methyl-2-oxopentanoic acid	5748118.449	7510238.691	6502591.492	5770680.009	5616648.211	7659513.529	7173707.556	7022752.741	7249006.027	7573166.01	7862657.623	6733756.051	6558779.703	7025659.135	7048956.507	5606842.561	6092028.757	9931048.846	8525677.68	6147127.592	5255757.45	6063518.959	5902734.66	4755207.798	4694924.036	6951984.481	6078660.604	5145883.025	6734805.483	9263392.491	8272115.511	6092639.17	10732279.54	12105022.51	11606651.92	9301209.416
FA methyl(6:0)	1301734.183	908226.6501	910629.7846	1311833.478	1633965.393	1288315.702	1503460.777	1379252.268	1148482.309	1017771.552	965477.2141	1036304.345	1864860.372	1563181.071	1187657.541	1096687.188	955584.1881	621433.5256	765605.5172	1509209.383	1811918.068	1304589.277	1553382.71	1326010.778	1165734.083	1085870.962	1018093.408	1324136.388	1052566.901	1003891.756	702660.0351	1529994.109	1295927.746	1223568.585	1347287.106	1380322.459
N-Acetylputrescine	425101.167	393557.8671	387013.6844	410968.651	310990.0107	285801.457	297812.3359	294868.092	386153.5913	355014.2059	341256.7225	360874.4944	321167.0037	334660.8993	338235.3885	332386.0662	479012.7141	443193.068	416077.2713	503729.7598	456534.246	364284.7586	378254.4205	333035.3149	499323.4139	401937.4868	456789.7526	404060.6783	368010.6455	481659.306	397677.2455	420909.6879	317077.9607	285396.8024	286508.3477	306521.2866
5-Aminolevulinate	13838228.37	12366055.74	11291237.32	12806099.16	12198291.29	10562808.06	10794296.99	11938001.63	11722105.49	13080969.48	12103227.73	12736454.65	10851060.1	12173852.41	10457060.6	10527684.66	12759596.74	11805833.4	11571719.46	12550377.58	14466575.66	12397843.73	13369157.27	11343135.45	12128185.13	14054591.83	13480458.54	13160768.55	13142603.47	13377866.25	12126847.46	14315427.27	11617362.99	10564358.29	9841128.062	10522250.8
Creatine	18456093.8	17604375.75	17496165.66	16376341.77	20395561.98	19235421.69	18197250.47	19959201.62	18025549.27	20593925.22	17612785.21	18692645.95	17399968.19	17741506.83	19291945.31	15058421.93	22410998.88	21206805.74	19382372.5	22355694.73	16928682.87	17245333.71	16828462.26	15575522.41	18746472.99	19824085.37	19391493.71	20205194.57	22517291.63	22724085.46	20397606.42	21852879.19	20784753.92	22294417.97	20191353.97	20691922.89
L-Leucine	1589329.663	1595149.968	1467124.144	1443739.543	1908117.985	1737606.345	1714022.616	1354164.281	1608075.376	1513377.585	1468256.268	1513469.395	1527996.746	1474602.645	1780375.36	1373223.917	1901731.023	1648710.116	1780274.307	1949340.966	1258289.254	1277460.224	1218399.201	1102889.3	1556766.306	1412939.269	1380892.152	1582581.116	1662038.117	1631694.895	1564644.385	1583087.881	2144552.838	2321777.061	2054376.304	1843646.105
(S)-2-Acetolactate	382781.7464	371537.7891	370080.609	408769.1195	249372.4275	251243.8828	252396.124	247322.8632	274605.8914	269629.7496	250297.2627	305176.1787	297466.0264	286413.8156	283260.449	281414.4445	253559.6731	234294.8166	220886.7203	259213.8007	365206.4196	359336.8556	312431.5069	311241.455	310852.3101	316541.0679	310180.2722	317483.6087	272428.9524	278296.9081	281881.3911	314948.0627	504337.8109	483217.2592	436609.8572	489997.9437
L-Asparagine	1268040.495	1323934.047	1115576.728	1218537.147	1150270.844	1061389.436	1005594.707	1032729.014	1151425.467	1299912.875	1071138.729	1228248.254	881641.5351	964343.3504	1005970.072	914138.7249	1405330.669	1324349.543	1226044.621	1434139.427	1288686.035	1192228.075	1169983.21	1178229.98	1190544.244	1301917.276	1143860.677	1287727.889	1433381.972	1412648.75	1284590.612	1620946.226	1164707.702	1154803.855	1179169.102	1037675.147
FA hydroxy(6:0)	230508.4606	221137.1983	329895.585	266717.2545	198374.8835	301581.9709	366454.4436	368021.4748	324210.2344	529434.3758	763551.4218	895146.6464	264193.503	385407.3836	535302.4769	508745.0198	564970.413	844193.5024	884569.9662	1154084.252	110799.5652	152784.7392	232144.4411	179527.8409	166839.1007	209960.5103	239854.8169	268759.1472	298114.4142	591937.6352	747014.0625	751913.2834	145677.0217	214238.3779	358544.7886	364939.5699
Ethyl (R)-3-hydroxybutanoate	288590.4994	335411.2199	382861.7971	327089.8895	412269.9383	579141.3491	486305.8109	466388.8428	1150738.62	1120236.576	1305863.692	1140881.68	817671.3701	747621.5494	841956.5591	645960.7468	983693.285	1370515.837	1318969.937	1013897.913	204523.2854	262062.501	237980.8519	227023.8155	305446.039	385696.118	359647.2052	289437.7987	734203.5435	978322.6848	935561.668	676827.9688	482352.2614	547269.9803	574341.3368	458998.8247
L-Ornithine	2113177.71	1809006.024	1654151.297	1516674.052	2052102.316	1846272.405	1869648.864	1813518.889	1856952.015	1879128.458	1783395.173	1585570.265	1861944.868	2040666.744	1728448.155	1650081.249	2557166.197	2051366.729	2249532.095	2196903.307	2033466.556	1581841.855	1656734.649	1389591.719	1904026.343	1909308.825	1732910.606	1678712.827	2635430.999	2280720.874	2188408.746	2330170.813	2178424.072	2076661.995	2043607.253	1700192.362
L-Aspartate	600861.7417	613357.4106	529186.8567	558231.1461	1515943.353	1534569.943	1369808.483	1409017.967	596596.9061	634515.9822	467944.3104	515276.4199	305265.8414	354322.8102	324968.3349	353902.75	1161202.839	1069348.705	924718.1064	1181113.479	1047849.046	992087.5589	1028358.441	982570.0848	629307.0346	653898.2702	571867.5398	623155.0646	1565187.651	1433424.754	1497790.176	1655982.056	1756502.959	1815863.769	1712448.416	1610756.09
3-nitro-2-pentanol	1156166.82	1365342.155	1141382.406	1233910.451	1280714.174	1582798.73	1421762.944	1257739.391	644193.8763	1067486.166	1187468.867	1048729.577	756373.547	1050649.606	1047096.535	848453.8264	1359298.991	1592882.209	1548831.153	1265846.262	947454.6134	1073847.014	1409912.07	1074469.17	1267175.243	1742213.401	1418732.847	1670830.207	1128733.24	1346942.321	1071552.958	1422414.104	994937.7824	919598.1061	937840.9951	1089080.994
(S)-Malate	49783899.43	42747219.98	42386819.5	44414043.34	72388722.21	59768285.56	64365451.95	71625096.67	28508301.63	25192032.55	23199121.89	26750064.39	40126018.44	37296292.09	36574716.65	37123537.64	60230018.52	51255282.53	50150122.94	56893474.38	84927457.51	71607088.98	69971591.72	71369207.66	50553712.29	54747287.01	51511770.3	54280462.47	69952493.08	64567863.66	63193981.76	70573112	72590813.62	60222566.45	54786570.15	61066584.46
Deoxyribose	746299.3857	767237.1891	761604.1314	854863.1423	569567.5992	611988.9482	611243.1299	680871.5878	1167540.485	1286924.16	1203122.537	1314594.157	941044.6631	1066492.318	1050320.168	1110888.598	1626454.939	1652965.9	1672936.817	1915775.375	582866.8884	593685.0583	616171.228	567622.0438	781475.3957	859352.8208	892584.7257	834814.1205	1383641.423	1487756.762	1514117.535	1673744.919	603270.973	642905.2768	593740.424	646977.3842
Adenine	2708504.318	2852824.721	2547700.933	2599197.932	3107912.389	2845601.393	2791534.053	3071938.833	2451585.851	2233332.98	2341509.4	2646998.062	1785589.384	1736191.769	1670891.009	1887454.854	5626362.73	4777128.635	4353331.81	5330069.001	2176551.4	2137512.322	2270702.708	2001563.244	2721624.53	2929528.455	2912655.447	3046391.921	3209397.601	3187787.247	3117202.344	3483237.528	3335658.187	3425318.861	3058080.127	3503444.958
[FA trihydroxy(4:0)] 2,3,4-trihydroxy-butanoic acid	1438311.172	1266548.364	1252252.197	1289656.12	902156.6589	906506.5441	880332.2359	842778.8694	1230086.134	1033686.982	1007195.426	1061165.147	964037.4278	970320.9756	919127.8666	935530.5546	1177102.014	1093744.414	1114026.645	1266353.108	1159774.022	1052630.208	1161767.203	1064741.5	1038289.047	1047785.53	1032061.766	1027889.432	1457732.639	1273939.847	1245344.961	1477048.181	2057566.604	1708402.984	1584537.087	1629932.678
Hypoxanthine	1190081.261	1290808.517	1166005.436	1189246.555	1109290.449	1245626.71	1113488.109	1176657.573	619069.5162	593897.0892	633103.5688	588553.0264	644642.4197	696389.0021	635664.5591	602951.1648	461696.1869	397512.9593	378906.2398	438378.5262	1089460.169	1100705.539	1098637.908	966283.0251	1227218.977	1300292.846	1175026.88	1171989.133	601599.6011	598665.2891	648767.8467	654628.3122	2430355.902	2100337.085	2171868.726	1971086.701
Urocanate	49849.34026	59372.82266	65896.8184	59411.03784	99142.35085	77635.15055	94624.80194	85840.98451	50807.29712	40193.04296	50205.51862	80340.98863	50074.4235	105420.4275	138122.104	92621.16514	43996.95331	38074.57026	30723.63777	43285.7549	119497.8301	120776.6591	138920.8952	103344.2878	67139.73311	75324.91185	88762.70243	153200.6757	43088.96686	32446.60248	47995.41156	44941.15987	50573.21352	54771.47405	62329.1908	70572.90353
Sulfoacetate	96741.72238	82061.94367	78749.89051	81743.41027	78170.77607	69476.89641	70290.33294	72346.68183	88256.56994	94174.92543	93227.32605	110788.5458	110512.0528	113064.039	104130.7408	109278.9157	67701.34769	60286.83263	57225.30497	59166.38484	103254.1819	101707.0177	98807.08551	90531.6893	88690.33513	79712.95353	90053.06004	88186.72063	72148.52438	72229.98025	66388.45725	69710.80786	89987.73878	81865.46499	76992.70145	79091.00339
Acetyl phosphate	80585.96857	76406.95426	75980.13014	75981.4286	74426.8769	82420.44201	87363.30901	89967.89039	51080.34398	47771.84955	47877.63367	52553.23738	88146.19906	91297.16501	80586.05836	74919.46069	33365.01286	33706.87499	34138.72271	35156.7094	79428.59277	72265.39405	75525.46106	68539.42038	89653.24068	75742.05134	88799.53096	81635.8533	35598.62253	36135.91045	32651.29502	39457.04896	74224.26138	77800.04799	60681.72827	68265.1006
Methylimidazoleacetic acid	69304.3537	72312.4879	64820.80452	59808.71881	65392.02353	51814.92957	51501.12748	66151.09224	50373.699	59294.80839	57885.44895	47071.86178	56186.61541	54263.15197	51291.03157	56170.09791	58691.78086	58426.32507	55297.73893	61138.96407	74419.89446	53232.41205	67705.52481	52103.25521	49521.81082	53782.61933	61382.83185	70644.73052	70452.02837	64032.18384	61517.03964	63126.08948	64789.07432	89571.16219	60025.84259	70828.10937
Carbamoyl phosphate	725912.8453	582603.3001	696919.5833	762323.8318	1005851.954	816255.3404	935313.4332	1038484.229	541292.4707	444439.502	558534.1933	582577.2766	1200563.154	1073941.087	1045555.2	1193090.401	649667.2617	596101.5567	540567.3609	571080.4311	829132.3307	800807.0645	833654.1314	747337.3584	982327.4345	946562.9016	1016962.911	998083.0561	507337.1545	458696.7278	487687.7462	518548.3014	696094.0147	565682.8194	516897.8956	622618.1092
Ectoine	116066.5704	98867.62887	90651.79381	129752.0862	126451.1484	163827.8266	171365.3861	105667.9381	109549.4298	103341.1686	134383.1577	117498.9583	104924.2172	116494.8665	113223.7819	113571.7723	151326.6715	128549.2207	144656.4978	120394.1219	154628.875	157242.923	119672.9579	111706.4903	134508.6138	136364.5756	107013.2718	126439.2362	146257.8172	101878.0176	143008.4204	157783.8091	124865.9605	122521.9209	154346.7447	140490.6121
FA (8:1)	112337.0116	89582.46634	73188.63799	106237.6065	136559.723	111415.8142	143455.2124	111765.8746	81379.04004	94437.06545	77337.44267	99015.23685	148563.7394	126805.7386	118637.6141	144133.9427	68923.78743	66303.10277	80928.1934	131579.7327	163695.4075	106389.262	137863.0947	109087.0906	90133.15899	81938.45689	97023.33382	113706.9048	84428.52939	81735.2967	64477.23118	103116.9484	86274.63317	81507.58869	102187.6621	115083.7558
Vinylacetylglycine	265077.233	252088.9364	244687.3772	256163.6244	146566.5814	133687.8647	169142.525	162030.3966	93362.54992	79815.52752	86466.82428	191900.2139	103292.1069	170640.4232	144516.4799	87014.36854	304132.8769	65306.46935	80136.03917	92409.78316	331593.492	281858.0085	278083.468	283186.6808	227946.1943	318582.9819	258981.9173	294114.9238	155290.7239	154613.6947	151074.1272	305441.0385	131855.8057	164275.0929	122856.4241	133250.4163
4-(Trimethylammonio)but-2-enoate	304929.7127	271883.9623	242045.4928	272614.3767	278402.3642	285808.1695	296179.3987	305127.094	240314.9296	206534.1575	212039.7579	258752.7917	194268.9187	194694.2081	237707.5815	222022.2794	328230.6242	286091.862	272320.8406	307325.3245	272288.546	252151.4782	226104.1525	232557.546	271090.7383	273419.106	281759.9824	283293.2625	289310.2656	284253.9103	252495.3112	317596.9028	348994.6011	325003.6031	346477.4568	343744.6111
2,3-Dimethylmaleate	274346.1067	227580.7713	256626.8588	243031.5625	142618.84	192671.6241	214684.5079	185809.6651	211715.1938	186910.3336	244495.1588	275723.0196	242821.1542	262087.3999	267170.795	246939.156	104376.2025	115955.7645	136735.8308	121587.5722	352631.721	329188.7607	277485.0084	294322.4729	195878.3087	190160.1801	173980.9934	236592.0096	153486.4585	156306.6823	181157.0997	205608.3807	349907.7946	394031.398	380472.1224	384784.4034
FA ethyl(6:0)	413512.6149	432107.3246	386024.9831	448451.123	452727.9203	450962.0815	415401.3153	457072.6853	465908.9279	453531.9192	468911.896	490118.7386	617293.6458	658982.4002	581015.7727	602892.9714	334639.1006	365824.659	323195.9364	368189.6294	545846.0134	619851.0891	498016.4016	534879.5854	459333.007	477064.1536	455048.801	512330.2237	401823.8957	419493.1806	353060.2376	449108.0682	428112.4455	410178.7827	373894.9514	418269.1727
FA (8:0) octanoic acid	3067491.094	1891146.409	2222591.487	3246566.027	4495864.14	3541041.702	3914926.437	3135251.59	2444839.617	2089831.96	1989282.821	2527555.19	4058255.521	3777324.241	2615312.083	2642714.337	2001564.304	1766928.192	1825702.18	3915349.943	4980086.351	3213767.794	3964511.271	3482952.13	2737612.634	2990568.141	2045265.495	3223890.167	2202919.23	2123506.413	1439484.421	3379997.112	2466924.156	3090372.633	3375359.502	3260629.677
2-Oxoglutaramate	1004802.411	991563.345	810788.6868	897338.0036	945446.2707	931042.9283	863082.1134	787255.4143	964104.1048	940392.5467	808191.8586	905724.9707	710888.4968	745124.6957	715883.7358	602049.2063	1295907.765	1146558.887	1060949.376	1187438.408	906030.5504	833213.4675	767578.7599	728911.3016	986173.3405	1036609.13	901499.0768	834014.5102	1294575.996	1324526.977	1117727.509	1241416.098	1250519.972	1260133.884	1053331.507	1099128.29
6-Amino-2-oxohexanoate	373312.8398	342968.1674	304836.3516	330856.032	349632.9099	368200.9938	362110.8764	384129.0498	357370.3219	360485.274	329256.8539	370252.8605	330285.3565	392040.9272	372440.1844	349414.1259	412542.0556	400110.0997	371383.3633	429048.6528	371742.8271	380052.3952	369771.9371	319455.7222	341736.5996	359806.7577	344072.198	339188.2389	429900.1147	441082.2429	395291.7028	400087.741	377582.6325	421236.7595	363878.0727	459712.3079
4-Acetamidobutanoate	150991.3887	190496.765	185650.558	173792.9599	178118.2861	164801.3292	149712.5213	176480.9596	157813.0171	170895.0153	183765.5364	212189.4246	229507.3409	207373.1787	203411.2324	211364.6406	160452.8589	150519.141	141338.101	169885.1472	221198.752	237348.9501	200294.9264	201070.4118	167763.828	185700.1981	205116.1174	205081.463	177454.3686	146181.0465	138167.5186	192166.8536	158945.0001	197093.053	162028.7984	184406.0307
4-Trimethylammoniobutanoate	866270.9758	1015259.731	843798.996	909126.7349	853122.1684	865449.8579	833032.9259	951103.5107	826211.1473	735353.9736	845492.8088	802744.9358	628409.7875	706225.1314	659871.3666	719220.7877	1083907.659	965908.2756	983841.3118	1322879.774	782318.0717	773730.5316	822667.7681	747937.9996	803648.4852	985645.9888	783440.401	938828.0097	1036776.301	1007222.667	986101.6719	1232654.899	887110.5217	876110.459	843840.6396	970960.7716
2-Oxoglutarate	19643704.38	18262493.27	17406185.76	18617469.18	18391534.92	18496405.47	16102918.75	17749999.4	11155691.38	8854849.564	8898822.912	10189079.86	9696960.501	9732311.775	9335622.184	8984377.892	10812545.07	10309167.59	10006099.64	11528244.95	22968924.76	20727389.71	21847528.28	18650403.25	19483267.67	20352359.94	19830933.6	18852918.73	13363744.77	12675410.44	12556941.96	13741404.23	18440373.71	17786940.45	16598097.3	16724451.71
(S)-2-Aceto-2-hydroxybutanoate	291360.3712	246505.6212	237404.6501	272500.8848	199488.009	164168.2889	161650.3233	169503.8442	358900.9803	343961.0185	341268.7882	340563.2859	223324.9521	250156.3745	224401.0805	206321.5632	546482.8905	485027.2029	416769.0065	438467.2551	225637.3674	185570.0833	216210.1951	180105.6721	310682.1986	246549.9499	252978.4019	282624.9893	521895.7597	440048.2691	435992.5204	451217.4911	236238.3993	221980.5675	207337.5965	220710.5485
L-Glutamine	67213480.43	66998647.87	67239575.09	71073055.92	99779922.94	98189497.1	96911951.33	98428442.85	64274857.73	62890003.24	62875237.36	66962590.3	66616042.01	65493199.92	65466004.79	68373382.02	69400915.38	65763383.74	58738909.42	67627787.65	66331576.67	66954948	67449133.97	64879845.54	69926329.41	75826628.51	75388937.43	75674075.56	70292598.06	70456867.96	66933663.45	69050363.54	90952433.02	98210510.24	87433077.05	97113091.68
ethyl-(2R)-methyl-(3S)-hydroxybutanoate	82267.69959	46817.39879	47282.46927	76299.09307	86768.40647	71582.35182	84313.54575	83516.67042	73890.8989	89398.46354	92785.82139	84590.36732	114410.74	94832.81359	108934.8214	87755.98738	77518.85736	70732.23024	73841.13142	75998.69418	94726.38415	78819.47952	100405.5524	74887.66044	79024.48355	49688.48962	63517.96618	97790.50663	81200.02071	69122.29143	81163.87711	63622.62281	55176.71035	84897.90575	54455.80477	73338.80116
D-Lysine	490964.3298	473918.2554	417502.8456	439067.9126	275837.0788	261699.6731	252690.1312	276676.2952	155720.2021	134217.7962	145355.4766	149626.3893	180147.1347	218190.4984	196058.4937	209823.7869	119937.818	113739.1607	108372.6274	123057.2441	705597.651	578250.2777	613879.8881	656686.8231	482507.4301	465380.3948	476838.8872	440134.0165	138211.0217	136197.343	141124.872	141895.889	276180.2898	282228.1752	271175.4962	281082.7783
L-Lysine	621092.3042	498583.8186	517759.349	465276.2092	819719.6215	697082.9418	738567.6059	711771.9811	803677.3003	858320.8892	778930.6123	655631.5619	747318.5473	832103.7144	693350.5832	534158.5028	1085931.065	947863.0088	933430.7248	936942.1144	513541.5506	390161.7577	401508.0007	300735.344	606005.4496	504521.1871	449769.0734	403818.1565	1178763.611	988199.2484	936208.7689	956013.0485	1035717.611	1020053.059	990237.5418	771431.3523
L-Glutamate	13592613.31	13692917.13	13234760.48	14096845.87	8117092.634	8438819.091	8294205.8	8759531.492	5418690.085	5356018.605	5436508.263	5801914.364	3761145.188	3879569.547	3712269.032	3999903.985	5664181.721	5050494.756	5139138.557	6229687.749	12227549.29	11350339.92	12533598.51	12496386.51	12568412.37	13614133.38	13549701.23	13604385.82	6982817.922	7100519.607	7323053.653	8361027.661	10294133.9	9736060.208	9881403.886	10372456.35
O-Acetyl-L-serine	439076.1127	432568.2654	370967.0724	381355.2085	373028.1886	375397.4447	362029.8186	355274.1871	347599.0938	344833.1847	314764.9569	362317.8701	272189.5804	314893.1046	271515.0737	232618.7807	510240.8686	477244.8204	482874.9799	488179.0025	389383.6191	364512.2624	364187.416	328375.8466	453625.558	470679.5487	427179.1905	384701.0658	485438.7587	494919.0113	430482.3418	495370.7856	474069.7049	445033.1493	403528.3002	476018.2611
L-4-Hydroxyglutamate semialdehyde	96959.76945	97449.21625	86038.49638	77123.38485	114196.3608	90301.37076	88123.18883	105557.1848	91015.10795	93984.66756	90767.72049	86233.30033	87009.3311	95728.81564	99702.54801	87972.42277	113435.3708	124503.9682	95093.45716	127471.5304	85438.62281	84497.9354	81000.20774	82538.0066	88025.22616	86855.09594	85288.45069	107003.0129	121411.7155	105982.2846	107992.4522	126983.077	83843.2968	100364.4408	85033.31521	96069.80966
N-hydroxyisoleucine	450485.2679	509607.2814	430658.1312	414417.7903	553400.2735	583093.1357	544207.8521	556864.4016	498969.4463	461771.7755	530644.9951	515740.2955	430842.948	447978.7688	408631.4608	419230.6368	632305.2491	577177.1855	485648.0267	603979.1026	423371.9898	422873.7135	428096.3334	407852.65	459443.7075	485960.4791	464625.3172	450159.7202	611784.1353	546721.6445	562172.2854	625048.9617	602180.5567	593155.4498	527436.097	608165.4007
[FA oxo,methyl(4:0)] 2-oxo-4-methylthio-butanoic acid	0	41436.49986	43414.5158	64116.45364	61634.02109	125131.0458	125066.2587	56509.13173	0	104038.4128	88589.64009	125051.6329	0	0	73796.55381	95243.72434	73273.56907	87014.03811	123305.1301	122453.2514	0	75291.86655	61688.91057	61670.8727	0	72538.96929	58848.22675	61903.32646	104448.2451	95376.07174	126003.416	189514.1035	116020.5759	126721.3777	102227.8125	236758.3681
D-Xylonolactone	11217466.82	10222474.91	9713569.981	9571377.274	7858510.039	6676862.41	5775749.234	6416897.768	16099070.95	15893434.84	13644067.96	14250382.27	8606951.551	8836695.392	8502253.106	6940988.258	16950254.27	15120831.88	12147504.13	14698996.5	6701781.496	5372389.935	4978820.995	4706884.895	9357395.576	8419101.074	7508650.9	7244355.676	16326564.22	14671534.3	13250403.47	13964403	10130682.08	10549385.55	8441751.19	8048370.404
Cinnamic acid	0	176330.6531	0	181101.1291	0	87757.29976	0	0	280865.5987	200197.3381	254943.1017	190329.9004	395569.3612	212447.1613	228489.8213	0	85991.7025	77907.97723	88562.83638	186541.4621	217662.3247	89036.72461	57515.19623	84590.59277	298073.1157	0	240951.4563	0	257071.4837	147417.9309	92411.53501	261143.3627	0	0	0	0
L-Methionine	2176690.718	1926437.648	1998032.822	1879093.02	2728915.163	2573263.524	2586085.6	2638717.593	1860360.598	1848191.452	1740406.86	1727890.177	1778289.805	1905533.109	1762473.937	1825022.933	2311372.704	2103851.326	1964461.7	2059840.525	1513785.797	1420956.02	1471907.335	1379987.79	1854170.377	1920300.519	1895696.384	1758333.91	2018641.222	2161133.333	1884710.293	2160021.675	3328855.182	3298776.608	3029590.928	2787927.321
N,N-dihydroxyvaline	285477.3525	291357.6819	218912.6345	209405.7536	225660.9782	279367.3775	269354.7849	341027.8072	334297.2526	348147.5109	343741.6689	430868.3302	333682.405	292038.4545	421132.7419	369679.8835	398436.1616	411230.5411	306053.2223	283329.5624	152762.317	212105.7687	167682.3034	145100.5415	253498.1641	291117.9057	202016.4277	227368.1833	376377.6824	312100.9112	386882.7699	268909.3299	280056.0749	326176.9829	397049.5771	236276.4553
D-Ribose	235616.1867	233321.5263	212109.5351	248176.8429	141492.2334	151413.5222	145686.5232	151969.2965	185332.4611	197689.3221	187967.2769	195737.1501	192847.6736	175571.4426	178908.5218	183810.031	139080.3221	120187.1825	116308.1965	137988.6153	208963.0216	201433.5769	195669.47	179593.5515	183387.6728	169078.715	172538.7782	198345.4846	181747.8347	177021.8136	182835.8724	190832.7029	348833.9617	333855.9773	327502.677	360235.8986
Phenylpropanoate	172666.405	198096.4041	203947.9739	186340.8282	253609.0552	356529.0455	353189.9934	322823.7634	390686.2209	374671.9784	469188.6488	343419.5651	319355.6133	318364.872	375525.608	277092.8761	269414.7582	377560.364	319597.0559	221811.5199	225426.8605	176213.6293	194441.0365	150243.3048	201742.6407	281122.0011	230893.2905	182411.2957	377399.1953	457022.8188	372615.1276	295956.6597	343733.5705	412506.9004	341473.0886	366917.1823
methiin	268630.2553	306896.1276	363774.5906	299292.0106	186861.0915	186050.3283	174829.9512	191807.1665	264618.6492	314418.5008	342417.4464	274083.0467	288720.2265	279787.2908	312324.2554	270423.3292	221765.2755	227323.1988	201073.3746	265726.8166	286638.79	325009.2438	292705.5183	287479.8048	235099.0753	265052.4329	215613.9958	278475.3853	254220.8817	238891.383	232596.8684	288196.4495	383824.8435	464224.9489	253281.9005	409403.0781
Guanine	119922.9806	119596.11	112791.5808	114071.685	211965.8139	237780.9474	231049.3723	237447.0881	220257.397	197452.8622	212696.3901	243206.1506	150845.6817	165640.0179	150300.8651	167306.539	703661.0389	664583.3728	596928.237	699804.7185	126276.8828	114479.3414	121237.2413	124353.7822	141097.9811	123694.4309	132305.4735	130795.9456	488039.1463	521509.6831	477425.3134	556794.0402	379759.7916	334973.3553	331634.1467	332275.1942
Xanthine	1965988.829	1906269.096	1757634.45	1794269.486	1900632.236	1884357.221	1921828.326	1927346.177	1434027.956	1503103.201	1472951.157	1512112.628	1417258.849	1338354.101	1350956.909	1266457.669	1927930.473	1887766.28	1833146.105	1950706.581	1454229.11	1450596.97	1465143.391	1346061.288	1838072.447	1967088.764	1831040.43	1792649.453	1933039.941	1856196.852	1810420.911	1973301.812	2840521.427	2739554.191	2538277.982	2823458.12
D-Arabitol	173696.3704	165681.3987	153200.9772	153075.9323	107435.9232	105678.1632	104030.0481	107838.2115	145223.4547	144657.9792	141356.0547	135456.1541	157367.7876	149713.3407	133659.9422	133124.0551	141142.9235	131606.0798	123309.0157	124861.6411	136205.8485	139798.7807	138759.0362	131608.225	125615.6589	131691.387	115839.3734	113736.2911	148691.5996	146963.1619	134017.011	153627.5761	227730.444	219288.6782	204086.0215	201629.9994
Dopamine	85895.51286	93735.92745	79015.0679	81316.75073	89595.76949	89715.37913	80480.3477	85873.87494	110997.0031	80230.60973	69988.53518	91276.83618	139954.1944	135126.3951	121599.9152	138687.5146	80604.37053	69522.74255	68688.99584	68202.69025	127736.4841	122759.9262	108842.3057	107493.2754	96111.33071	90003.40852	82860.57806	131780.6748	80576.86931	84953.55508	76639.25585	100853.1525	79500.91108	102746.1732	72252.51057	84868.63065
3-sulfopropanoate	567978.6996	547614.4212	434873.2217	554270.8478	611158.5552	595203.027	570692.2288	633515.5703	532975.0592	553121.3525	534333.0701	552657.958	679950.2965	658052.8682	622305.3023	612876.3256	435341.3971	427833.0484	388800.9995	423966.985	655567.7966	661216.8493	685162.5748	554158.5447	583297.2244	614918.6671	597675.0279	630977.5418	410837.1489	464731.3666	401690.4964	510519.7072	558661.0427	533480.0441	529213.6992	530571.6735
Hydroxyacetone phosphate	1420631.584	1389702.02	1380859.825	1472248.612	1383798.44	1358607.685	1333015.111	1513233.306	1163547.078	1163240.006	1219098.192	1228888.231	1323129.107	1250501.701	1252306.113	1285095.552	1445525.138	1470116.638	1351428.629	1451379.159	1393462.156	1403406.821	1437309.921	1366961.438	1517738.5	1569386.6	1588799.479	1577656.494	1433137.616	1410856.592	1362147.844	1622475.832	1411139.589	1330939.909	1386225.491	1435531.894
Propanoyl phosphate	2250775.133	2245418.031	2055366.162	2084630.249	1535898.637	1532087.351	1472441.604	1486118.574	1515645.139	1537141.65	1428562.176	1559047.612	1211683.77	1260832.196	1279564.92	1232595.604	1854130.699	1811867.382	1674237.791	1839857.741	1817716.415	1803320.982	1766800.799	1608064.375	2287462.086	2340745.809	2243759.136	2196816.467	1795429.306	1774899.07	1690531.909	1822078.534	1641607.882	1587253.628	1483643.61	1514744.398
Imidazol-5-yl-pyruvate	1271452.327	1273300.779	1283255.422	1221203.594	1632587.24	1869011.416	1881437.753	1806339.01	1500911.972	1464870.845	1750051.707	1842416.737	1309644.962	1485858.099	1275136.258	1381337.117	1798606.229	1949341.486	1471990.986	1893626.944	1163945.056	1231760.936	1197359.845	1316211.579	1319064.425	1527635.435	1305895.682	1442877.226	1831533.694	1891017.521	1905734.314	1901224.303	1305761.96	760606.224	1568366.413	1045206.066
N-Methylethanolamine phosphate	73639.10675	79318.59751	83364.3049	84956.30079	71038.4135	75483.19682	89653.92366	80519.25344	79627.00352	75866.61274	69936.46917	93161.99216	52149.20219	65038.62952	66764.2366	47906.79598	96503.55757	83904.25786	90485.25176	101251.7905	73243.6671	68529.91997	79035.92656	82515.79817	80479.78621	88678.6812	81787.58741	84288.14024	87088.25963	90087.58118	89870.40032	125795.8294	91326.36941	75087.19912	82680.71917	85378.77451
L-Histidine	2343102.996	2201293.243	2480001.343	2412075.121	2409935.316	2203751.718	2246106.19	2343848.669	2553031.637	2556625.266	2553766.442	2730984.439	1613602.964	1644414.848	1639843.877	1751902.679	2783218.432	2364185.317	2598533.512	2722643.167	2247256.572	1929112.176	2236332.334	2009588.406	1897004.107	1910691.915	1952844.115	2023095.541	3067016.017	2664965.487	2768419.645	3327669.772	3459276.49	3116952.627	2730926.065	3101880.358
3-(Pyrazol-1-yl)-L-alanine	312244.7868	296045.4899	290555.6901	305523.5942	350571.5853	334371.3316	322103.3308	369969.3165	297008.9301	342899.1844	261973.9518	297191.453	297011.145	304046.1454	320023.7792	302637.2171	396636.4155	315357.4777	291931.1279	316097.9353	299733.7839	286895.7513	305988.3877	285332.4352	336668.1151	298451.6343	304302.7663	300246.9908	386082.5679	365533.7946	279045.7746	347976.2852	383439.2251	337058.2157	356108.4712	307084.4475
Orotate	240112.8497	216153.7628	182181.7815	177244.7722	693183.1656	637173.5913	598408.0994	564726.8409	125015.5784	104048.9584	93856.80315	101445.047	141627.2046	151973.0486	124323.2566	131865.1139	177141.3562	129374.0003	136520.0052	131357.4482	235642.3239	220210.0476	213938.7108	174489.7168	250199.0137	261763.3282	196795.5891	218258.0923	116268.6619	125362.4233	144986.1461	114402.3478	632707.176	644083.4184	542974.9178	649503.4515
4-Imidazolone-5-propanoate	952277.9125	915468.551	862748.7965	801591.5176	846350.8478	780025.892	834819.7729	869704.8202	874524.5783	869425.423	961685.4443	952173.7212	834758.2829	822847.1388	804529.3159	828809.4137	1336803.025	1233392.243	1135388.453	1409576.83	831779.6899	817903.4819	844880.278	827330.4193	811602.8673	958608.0289	917442.9037	991420.8545	1247999.055	1230464.021	1322660.724	1449047.09	815538.5283	854657.4095	784488.1254	849285.1123
[FA oxo(8:1)] 5-oxo-7-octenoic acid	144410.0542	126326.0321	163846.2191	183984.8417	170550.6108	147805.8258	177642.2486	191438.897	188432.0362	173575.9539	231532.9651	182620.3417	255570.3824	176917.4711	151638.8348	210188.6499	95492.58694	99625.08708	79471.99473	101234.5486	256798.4668	184570.6283	187781.0894	203357.2289	163872.864	199363.8844	128692.0782	144380.1183	101172.6365	109154.0744	141996.5931	131344.6609	174562.8473	166688.6446	114904.3132	120937.9137
FA methyl (8:1)	82315.98581	63074.23183	76463.09565	95045.49413	120594.1536	122276.8478	134695.5242	98394.07034	76359.80258	83861.54637	62073.10194	84806.80606	145473.6636	123231.8374	93863.74342	96514.98157	56665.3399	62635.77343	61612.17112	89999.11584	162641.3296	102611.9809	106581.4812	140149.3558	79201.56065	74134.11901	85668.96121	123381.7989	86142.87014	83203.40852	64734.82252	112652.9355	59776.19906	99527.30653	102787.4351	109550.4144
Homostachydrine	135744.6669	152220.9007	156336.7943	141029.394	146074.7019	162683.1554	135083.968	163300.2811	168208.0821	161237.7326	150753.6281	145078.3885	140967.9458	150511.6007	141044.365	128382.875	177564.9339	165973.6927	165364.05	186770.5465	139073.5361	129775.919	136123.5631	130304.8252	150036.2829	136039.3837	158561.8527	179825.6455	184312.9208	158585.4506	178813.4763	186522.8548	158219.8927	156464.9589	160794.9521	187463.0348
Allantoin	52669.87752	62693.01948	69529.5402	66572.63656	48910.635	45827.27876	45944.85831	57414.41434	55204.33796	55813.93631	50487.41536	76488.05745	59538.10159	51785.70026	37811.88858	50297.70272	50649.23976	48005.85871	48763.54738	54609.94413	65803.8542	56051.74949	67436.68121	65524.89201	69390.01638	58026.2948	55135.0363	68471.0872	69883.11849	79533.14372	71989.43449	86034.39344	109283.0974	72236.26421	76291.98531	96017.46833
FA oxo(8:0) oxo-octanoic acid	307126.4475	228223.3285	208282.0633	240812.9301	315464.7324	227356.6542	230532.2597	274432.8914	254221.6927	256689.7428	255753.9792	228639.7007	405279.0029	379647.9835	505172.138	415819.7059	206874.9197	216962.7352	234531.8804	228293.155	360345.2838	409982.8294	249648.0939	295889.2754	470753.34	245212.6235	207728.2014	404800.2092	303655.8355	241265.3435	198156.4728	325596.9163	318046.2576	260099.3293	336704.8712	199763.1687
FA methyl(8:0)	9308922.368	6655586.338	6706779.894	11182525.23	13717309.81	12353606.64	12758594.74	8198643.029	4807665.192	6920619.593	3988546.462	8097359.59	6994563.177	7839159.697	5484951.79	5434650.591	4262310.646	3376807.244	5631313.447	10085599.87	14873801.8	6854058.754	11119893.58	10028081.65	7085450.555	7809682.291	5159719.697	9650509.955	4734903.755	6611212.673	2620178.037	7535938.217	5165060.658	9144156.809	11005113.21	10080745.17
Daminozide	226868.1997	236155.2912	300693.8702	272696.7112	238830.5528	383124.8352	239109.0058	367017.711	222287.054	230230.5482	235358.8628	451017.5909	237178.0905	218061.9538	181652.782	118924.0403	637358.8348	501486.5938	581495.0269	893465.2909	246532.5633	189070.393	228557.4547	325066.354	289407.3952	312388.9846	191169.1251	156058.0844	375190.4281	396603.847	402222.2688	624919.6605	332896.2397	423792.2535	289832.6782	321689.207
FA hydroxy(8:0) hydroxy-octanoic acid	193999.046	198566.1224	174858.9744	210728.9947	258497.9311	195587.1313	186163.3944	244378.2272	211202.6445	198750.3785	284212.1878	240468.8605	229378.8856	325586.3317	295836.3034	277418.1739	221016.0905	118569.4307	199024.7923	284221.0549	206308.6983	297779.2562	269709.8894	274970.1557	228968.3624	200263.9112	192871.3467	257867.5978	196445.7427	200561.6959	181426.4773	218567.2827	123679.1396	133077.6285	123682.4506	127392.0462
Ethyl (R)-3-hydroxyhexanoate	127181.8122	92754.17474	78022.78049	71406.22495	83715.28885	93535.9527	101293.4055	79921.20986	100957.9888	89147.07044	79537.03145	76736.96689	116936.0681	103673.0731	128920.6256	153436.8735	66596.79	62351.28107	89543.41906	82898.78238	135991.6941	101293.2867	121563.7232	111387.892	123815.1278	101450.0393	116484.9683	91178.8514	76487.92612	80215.63966	61128.54935	72207.89859	70741.8682	117184.5319	100377.2758	68256.00067
N6-Methyl-L-lysine	209401.6472	156397.0222	149292.039	144093.6885	220271.7184	181031.5669	175978.7081	175833.8062	202174.8752	178775.7109	169540.7017	144578.0603	169001.4011	169593.0755	152699.3153	120954.8709	293972.1972	252772.0575	231276.4763	238767.1519	169800.2722	140902.4227	135253.3581	123480.9127	193209.0174	166788.9011	151806.6779	163677.0379	324175.1476	268462.1615	225666.4151	227705.7885	228850.9835	243183.8248	207787.0472	192276.2583
allylcysteine	47693.24106	40741.94139	39106.51823	45641.52048	52108.29455	49626.57344	62314.34363	56143.13164	53424.22833	61077.56736	68947.01816	59083.19028	52960.42704	63704.72351	62679.94637	51591.02783	85545.7541	75034.70997	73481.50918	77735.42214	43507.52238	37439.17647	44627.89447	43530.9791	46167.29455	46684.89111	47886.31503	39056.87266	88159.78285	80243.19498	64209.22761	95276.23059	51326.38431	68603.28503	49790.87355	46332.81632
O-Acetyl-L-homoserine	92994.64847	83542.68957	82457.70355	91492.39949	87519.58979	69642.75899	95761.67646	74669.53317	63557.64716	75922.59666	74797.99673	72690.66153	75208.80296	68142.76628	80367.12829	67475.03678	91006.86627	95748.90365	86225.80687	102144.8894	74137.8849	89213.76088	96104.45958	88883.93105	76416.71163	89283.17147	80541.27437	84612.79103	103091.7318	102768.973	75014.97132	105872.5459	86002.33741	97360.4886	93690.98349	94696.71251
4-Methyl-L-glutamate	47778.89814	52374.94114	51032.43949	53338.92348	51291.84982	50624.20498	55249.46263	59391.7262	59816.83867	52724.38589	81040.62162	64346.11367	76242.8416	86009.78026	71353.88062	73964.62499	58477.27705	63077.03189	76080.54941	72815.38427	60450.60616	65292.00391	57276.53651	58146.9967	52967.80574	53554.55076	64983.41773	54896.17209	50797.25675	76562.58217	55065.53174	82261.03311	47627.99261	51396.74368	47413.72523	61770.3137
L-Carnitine	20595525.94	21332621.65	19747900.49	21838507	21689444.54	20660195.92	20062832.85	21449326.99	39807577.88	34178986.41	34913290.67	35444102.47	27982753.77	31331070.08	27903259.96	29733031.3	54589821.88	46739492.58	49539062.17	61452378.07	24518697.53	25849164.73	23784042.26	23436754.99	14403784.02	16895855.73	14043996.34	15825840.63	50372944.38	46571544.72	46270135.51	61072580.9	27485393.67	29062188.12	26975967.91	29510314.39
Methyl cinnamate	130450.234	348882.3873	93870.50785	287658.2587	162953.7043	246876.3832	190416.1269	127201.8955	401830.1385	124461.3614	421782.7532	152098.2942	471242.5842	301487.4259	336972.1546	159006.2697	134838.3359	106169.0904	280677.2367	272500.8479	505598.4075	299584.7132	275282.3903	338277.9543	366671.3297	179494.2897	311455.793	151953.9335	291478.8242	148407.2779	203717.6932	302717.2822	105011.4473	115542.912	97611.18295	95556.21452
Deoxymannojirimycin	44530.73967	43367.03028	55939.66466	52126.59865	136878.6016	66586.11941	64197.64476	49062.11416	95338.2477	113726.2562	76603.63681	61163.8804	59830.34958	68947.6992	55598.70237	68481.7298	50909.49066	120498.9571	78065.90949	107186.3519	60615.31731	61676.83363	62544.12475	60815.63808	68636.86863	118748.5952	0	103779.0427	68309.42009	70310.70613	71522.55687	70972.43045	45467.96801	67679.87464	51451.05395	98920.3275
4-Coumarate	146803.9402	176645.0738	214843.8466	290112.228	146555.8814	151586.7563	187428.4841	239948.0942	152655.4866	160298.8772	235008.2878	290113.4726	138734.5708	165466.2219	230528.5221	277358.7489	181861.5097	184936.0228	228779.5684	328458.9403	130911.4242	134172.1314	202371.591	203261.3247	108866.2547	133008.5304	200072.8315	202453.9808	177442.4137	207770.7534	232277.4176	348976.0003	200993.15	238252.3924	327223.594	384627.6046
3-Methylguanine	468657.502	409493.5154	428899.3919	453737.4886	526815.7701	533568.048	516898.056	603010.6938	506333.3106	497947.9163	513644.2826	584390.7071	475983.3898	504158.178	560057.3792	471702.2576	573928.8668	538862.3446	568085.0996	660424.566	343297.4243	400527.4229	388071.6589	370345.705	472985.03	507923.4087	466253.9887	475732.2613	565811.9752	663540.9503	554810.0485	728047.8425	360268.4291	385794.2846	412267.5527	442503.4469
7-Methylguanine	64658.54462	69396.80362	65252.52691	55082.45138	47419.44412	40051.88355	54036.158	46933.83402	75577.91548	56358.38068	51405.74373	51967.56656	52649.61039	56693.28181	56014.37218	49447.92392	69801.44094	67078.23674	56531.01846	61200.6419	68363.00294	46229.09269	53577.13225	53127.66119	51191.23652	49818.22693	58106.0514	67596.17297	62617.08525	47959.11753	50593.32638	59491.19426	75457.4544	65126.19166	88458.55302	56583.59141
L-Phenylalanine	1354647.221	1268294.864	1279992.167	1326730.651	1727160.896	1468365.03	1391579.535	1428493.918	900520.9742	956604.1142	915364.6726	947977.2032	853532.1171	893753.0677	942959.4364	835989.7497	1339311.052	1262009.315	1229331.217	1312819.428	890518.8252	1092289.881	941489.4899	849860.0332	1270835.981	1369128.453	1200092.208	1195269.714	999335.4675	1115796.675	975506.4083	1020935.382	1979939.541	1544282.485	1654773.552	1492168.49
4-Hydroxyphenylglyoxylate	566563.0347	567959.0261	512094.3235	523294.8068	516345.8388	458021.4018	449222.1154	520416.4467	653419.0846	552163.683	547365.2826	516940.4341	747143.6398	726002.6321	667791.7421	680945.8814	318098.7101	449492.3354	417332.4718	408178.0768	681590.6063	581839.2099	576704.2686	586096.4894	558922.9938	478937.3861	531096.2012	585942.107	518558.8994	385879.3729	416274.0531	461897.3198	524955.6955	468724.3994	457150.3958	462084.8877
Phthalate	821802.7271	751875.1295	780805.5946	800811.1078	800883.4645	705598.2492	764223.5841	754456.4253	976728.0243	818351.1987	870870.0148	893085.7715	1099646.189	1006383.254	1036660.017	1086352.557	710935.9253	705006.1106	730530.0164	708728.7979	1138625.651	888125.1113	967920.7682	883201.6495	880056.2086	874746.8681	876619.2736	848024.0957	817542.9302	762153.9103	764425.5547	878987.8596	854751.9526	787320.2076	671448.2816	776821.14
D-Xylonate	127639.737	101332.3601	125176.8546	116863.7423	73215.07252	55250.45845	79297.71735	68940.36811	80181.439	117863.2559	108677.1255	99354.15818	81984.77375	98318.81908	74947.07204	93699.19505	85656.468	70098.43228	66676.04107	71738.40167	122113.9146	106293.3789	104662.9472	101131.4713	84689.42027	131796.5683	116711.972	78536.8281	105398.6293	101745.601	96361.28208	120282.4181	150410.1622	121032.7548	116818.4483	140692.2715
3-Methoxy-4-hydroxyphenylacetaldehyde	501345.853	515207.9013	464899.1373	593780.1076	509802.1025	551219.7457	582020.2285	684383.2842	723322.6275	729091.8827	788919.0686	866175.8747	512538.0719	565699.2009	549129.4041	659358.0725	803745.8397	1073075.757	1132651.658	985743.114	305357.6948	304497.9394	350385.7851	408076.2012	536018.8561	508341.9626	542018.7645	602366.8972	586246.3386	704772.4463	675328.041	644101.2708	508199.5052	633598.3274	673777.6506	662744.8651
Phenyllactate	842780.6226	870263.1339	791464.632	969338.6269	744498.4757	961892.5943	969438.0985	964538.9232	889390.0311	1403457.812	1230689.634	1314587.786	641610.7447	878868.3639	944870.3492	901957.8404	1571187.383	1723276.182	1721154.005	2095218.721	467129.8566	514202.6579	535195.1208	470056.9494	767534.6892	736339.6446	837754.0077	865187.4722	990458.4378	1195989.505	1275334.781	1585695.404	776507.5223	987833.8709	1125918.497	1096677.457
3-deoxy-D-galactose	62339.17545	49884.4475	58772.28194	53714.92446	41603.07219	44125.75883	40716.81848	44455.31424	58728.70758	56040.54485	51962.48069	53295.15369	59928.48588	52701.61069	47098.28973	44170.30751	53398.85568	44772.91732	44809.05309	50516.19992	51265.34656	52949.77572	50141.25464	50502.14703	62401.7844	50219.13588	57400.42586	48015.84022	52296.56868	45804.68165	46519.75605	47790.46002	92558.79491	85061.80812	72367.75648	86026.25122
Perillic acid	68901.22351	58857.57497	72883.31527	118039.1043	105173.1735	93318.25849	118083.1802	134632.6077	114613.435	62080.91122	135259.697	112610.8039	161106.5972	134519.2875	150971.6904	178187.4256	65379.51854	53036.67425	53988.76884	170367.5998	181398.0506	130751.4793	169740.1283	164662.7469	132113.2469	117646.6919	83712.00195	142887.1702	36841.17923	62661.97958	58365.37354	109878.679	101142.5633	118804.7236	134007.197	119371.9224
Pyridoxal	187004.1369	172679.6141	168668.2971	201808.4391	132231.1863	118916.06	124568.9975	158811.1217	138979.766	146402.1867	141967.4843	173576.7498	132904.9358	136839.0966	137058.6693	134170.5059	154470.7391	146361.0388	150225.3291	164825.6177	180566.4235	163736.6239	166610.4937	155989.989	150079.3886	135330.255	148420.836	131860.9224	191371.0512	160335.1072	176130.411	193568.4442	207207.324	215062.145	209063.1929	184035.3867
Phosphoenolpyruvate	1117843.39	901823.9465	896676.0862	868667.4402	1169236.983	967808.7244	1035010.057	979449.7083	621315.0098	585919.1021	519595.3422	447342.2268	732084.2705	670905.1234	662201.3432	498868.6228	784037.139	591764.1025	612019.2517	705960.5521	1128446.424	933605.6257	914313.4434	741070.8075	1556558.649	1579006.58	1402449.431	1291865.182	878985.6738	747867.8343	673276.4104	751679.4409	1117323.03	988009.0445	914180.1613	887278.3334
Butanoylphosphate	566433.5405	510253.4554	584413.7751	486680.425	446702.5574	496624.792	450340.3504	529644.1793	410014.3182	462199.4305	440799.5702	487750.1659	423195.6686	430083.0328	409981.4675	451245.6782	560357.4504	479728.2438	558026.0742	560136.6243	494225.2297	523632.1177	498892.5994	532186.6878	517432.8197	570109.2179	555925.7899	618055.9982	481209.2984	510907.5197	490162.2629	537001.026	498928.0276	516363.4799	458524.5119	598732.688
Urate	478756.6738	471468.3806	472603.6452	534390.781	246494.426	279778.1172	267172.6965	262282.3494	375083.3532	395586.39	361212.9427	410531.9686	381808.6188	360695.0132	342089.6057	367168.9481	271123.6264	271735.9855	271959.836	295713.564	428385.971	488297.6251	467644.4719	413911.7685	316235.6851	336336.6123	349288.5467	318342.7631	374448.9482	372725.5679	365808.8326	407021.8349	766050.5357	737370.8408	690167.665	762944.7887
1,3,5-trimethoxybenzene	49647.38507	100767.556	46737.17921	130410.9989	70229.551	47041.22873	119224.6926	98112.95651	121105.4483	65136.52693	65305.9891	69576.10433	78144.80257	50872.94329	133417.923	100165.8831	31773.55588	38680.25852	90071.61973	35797.48819	165785.0961	157215.3763	142450.7944	152284.6837	67032.10153	76262.36143	55403.57985	67522.9079	46852.63627	68267.42716	84515.68993	69180.20434	52674.96634	69799.41644	59920.17166	45360.21345
Iridodial	207581.812	197058.3135	186592.1641	190514.0907	173645.5844	147331.8337	191077.8328	190506.937	181187.3209	157531.8939	200017.3172	183653.4387	200225.982	265123.9805	226075.8636	261859.2462	133264.7383	226343.0683	91689.97053	157553.5094	236035.0582	228636.3308	267070.2058	253218.4382	153372.4167	275502.701	184829.4109	192193.6589	105011.3277	139968.4314	106287.4378	127837.443	148668.8968	220976.7384	189707.6588	172423.3291
Phosphodimethylethanolamine	495591.0915	452360.4257	440371.0555	405719.9026	396752.3725	369433.4303	377015.9011	366862.5444	426761.2711	437843.8958	388348.9105	399297.8895	413548.9122	288899.0983	315679.4432	319493.3716	520362.2718	445090.4217	426253.9344	569857.2395	482150.0439	371311.0466	399152.3925	421616.4697	476730.887	523427.6983	451164.7546	416907.3432	634252.2108	636108.2237	480592.0263	606300.3932	668436.1801	550590.6812	408625.6722	548410.9922
Nalpha-Methylhistidine	1556181.728	1540779.541	1441323.483	1528231.623	1873844.154	1908850.721	2103921.294	2230437.721	1821544.631	1846855.835	1961941.882	1944702.821	1665761.343	2088806.039	1742333.326	1671507.948	2283640.328	2194188.227	1971779.062	2027778.396	1424267.602	1493265.703	1476333.649	1390860.245	1591870.116	1706641.677	1601964.589	1550486.118	2396892.359	2214777.568	2122163.346	2343511.352	1884164.902	2170842.813	2154052.494	2212014.943
N(pi)-Methyl-L-histidine	2214777.876	2112549.564	2300720.033	2231782.315	2055265.896	2038667.513	2124321.974	2178720.062	1871718.047	1907838.881	2073638.334	1920381.264	1685321.041	1816688.208	1859230.953	1789454.633	2339471.197	1968672.929	1940754.995	2377967.54	2051457.691	2028289.357	2073634.387	1801628.256	1973313.749	1991539.989	2000988.795	2036613.03	2327208.862	2466959.517	2262751.287	2695311.014	2924059.556	2724432.115	2636698.393	2811425.128
Glycerone phosphate	262482.2036	319438.1521	311092.1524	355420.8962	442935.326	373977.8735	388545.3672	373848.7089	186097.5982	332975.2005	164661.6367	176346.9013	257332.6157	371735.9323	243103.1528	276653.8666	311520.9887	264385.7598	250432.6522	328972.9608	278279.4658	206526.6218	259839.0941	258713.7181	206588.0687	244527.1946	398499.8869	248515.8352	180618.8653	183711.9952	287345.6185	179398.5536	526680.2201	464339.7894	435344.3848	494664.0709
Furfural diethyl acetal	81764.12422	95436.34915	85831.71459	119071.4042	162653.591	138328.6472	161374.8405	132676.9503	120425.8568	180981.3138	113284.1227	160137.263	161804.9965	173437.923	197382.2659	127047.8341	107252.601	92230.62536	159908.437	92578.82366	174541.3625	121610.1208	148726.4148	126801.1757	105078.5336	121228.9632	94915.96787	119547.8008	53766.76319	140840.7451	91758.49311	69064.11731	93289.98996	126385.1132	119404.3716	97180.96885
[PR] Limonene-1,2-diol	75633.94614	66304.23944	40900.77829	73505.05883	112521.608	96030.33899	94549.67518	56152.04798	55004.25014	57681.51467	68712.10177	69940.36663	67136.4425	67403.42922	60776.73949	93583.52037	46121.12061	50661.78647	61039.60545	72311.42067	95316.11026	66788.85604	81060.18803	79547.64793	51806.89884	62950.08967	47864.5562	80160.3418	52896.79606	63519.61828	52445.72253	64279.50895	59456.49474	54151.38816	96231.70626	92961.90686
phosphoglycolohydroxamate	127221.65	113700.3912	123117.907	111080.2442	396305.7815	352252.0152	355100.4176	411534.5827	52540.57391	53200.5825	54185.29735	55733.75771	84083.6734	83312.56941	87637.19577	106953.2792	133896.7795	119197.819	117733.7902	140131.7975	214542.5012	198974.8595	204592.8592	189730.1703	158554.5536	157709.8883	163232.4855	169851.3305	147574.4975	127727.4584	135987.2922	138047.587	326889.2149	283420.653	257364.3731	294611.6888
N-Butyryl-L-homoserine lactone	101282.9394	140287.0605	66816.47058	124173.6378	155466.3011	158988.9167	75339.82485	82442.07776	119940.7267	92405.06555	83229.23762	138860.2729	162910.1269	79469.71225	119426.7433	154649.7834	69320.64593	78655.93734	97714.8667	83419.36615	214072.5174	219368.0818	83058.64403	90963.19205	80665.58597	133202.9453	121615.4958	96486.5505	175979.8083	81688.37355	84440.02814	158844.2392	98369.82234	93068.55655	53300.59975	84099.20272
decanamide	662488.959	854313.6029	847818.9642	591703.2843	1124084.658	892494.2165	1370616.407	731642.6453	535826.3614	1374201.657	576136.4992	1514797.433	455818.8786	970124.4488	732140.7973	1037183.947	326667.119	508150.2032	818059.7975	688261.8593	951722.9636	1259873.879	1565704.035	937792.9491	500888.808	1136103.905	725164.7994	933327.8471	328066.3402	1066570.547	202363.2368	501379.3164	287003.8448	1112941.604	1091089.471	904083.2672
sn-Glycerol 3-phosphate	25675839.7	25782871.33	25470327.72	26459110.07	18977086.65	19249464.56	19692644.57	20860530.82	37832336.95	38579635.77	38705621.96	42426900.72	23855513.12	25646901.06	26845954.29	26065340.22	55225435.43	51865456.75	51186967.4	59086678.89	20992469.85	20448968.76	21849514.33	20521911.17	21362297.81	22744660.62	22149805.03	22190649.42	50145598.84	51910266.95	49235383.57	57177984.67	24333383.67	23561778.05	23031785.64	24026406.94
2-Octenedioicacid	230416.1474	222200.8148	171534.371	158220.7254	227597.8306	187904.364	182002.9318	214796.2904	238563.026	211677.4863	192886.7066	149564.6935	238737.065	358814.7324	179183.6591	306631.8905	152044.7422	135458.4904	119545.1436	221439.3953	213207.5576	190370.3749	179869.8911	219017.6401	229309.1007	190752.2471	187695.8202	179540.7407	149172.7629	175875.3636	126777.5247	190457.7906	180626.7203	154167.9829	131049.9868	115512.4324
9-Oxononanoic acid	467709.2085	491839.8608	441376.4526	481500.7296	540531.4269	519152.4813	415711.4908	497105.2735	508024.1841	474787.3996	468178.3087	574266.101	725599.9223	665239.3743	596537.2353	694121.903	412065.3418	381123.2092	334627.7359	450877.642	667779.4738	620072.5758	608789.1926	553052.9853	569897.0263	494409.4746	495668.8854	519499.1327	487928.8857	439746.412	354712.8587	489029.8825	441458.1853	440618.1448	384577.3982	468612.6352
FA oxo(9:0) oxo-nonanoic acid	214454.7052	205708.4931	175076.7495	234284.0012	345763.128	251137.4612	373667.6958	215046.1486	281666.083	358437.2231	221567.081	538776.9688	362541.6676	347638.6108	328361.1918	306246.0709	204117.188	176318.4865	294364.947	202986.1325	385297.3676	284272.745	312191.8613	287966.6926	228628.7173	213010.5528	194127.0749	239827.6068	217514.5426	422973.368	208971.4687	216769.166	184710.9534	292447.3143	318464.8095	265255.8892
Decanoic acid	958092.0513	594154.5857	584202.9761	1157759.299	1495726.584	1311656.066	1229635.923	925226.4397	649828.269	566008.4856	509114.7579	671952.7365	958464.3068	919098.375	738805.8935	862316.4679	515752.5183	470627.1817	554368.0332	1078178.589	1639691.252	906677.4693	1169015.811	1260920.948	861115.5494	882805.5354	679934.758	1191931.213	575086.6841	669782.62	433357.2646	802788.6597	672137.6025	886398.9989	1009927.985	1012167.102
N-Acetyl-L-glutamate 5-semialdehyde	1822091.677	2256883.906	2013391.359	2032995.346	779568.1786	887388.0975	970439.0664	832602.1831	345398.8186	341617.5524	357867.4571	327840.8439	324754.1726	465913.5294	514423.1312	491948.6944	329715.2973	418474.6507	364290.0886	426310.3354	1585320.796	2143555.484	2567185.452	1919446.085	1982709.549	2135323.613	2252120.395	2070560.413	321972.0887	313740.2757	344945.4599	335333.7838	585677.212	960105.3693	971302.0171	828232.9768
5-Guanidino-2-oxopentanoate	369316.3715	404490.3546	306918.7357	366951.9319	497545.5731	482679.2632	380650.368	354510.372	409874.5844	493280.8674	604381.0812	608343.3515	486729.3378	679033.354	591278.5155	484675.6417	467060.4506	474180.6228	439696.6552	519252.3931	355611.1576	336909.5943	371255.5494	411036.0614	433887.5364	261486.3005	469706.5694	413065.3785	672505.0775	511989.7567	372136.2666	567143.8402	367923.1748	287639.2329	416479.5859	149010.8972
cis-Aconitate	61652.85747	56694.70666	53896.90653	53568.88304	61961.25768	39032.95952	47554.79242	41045.36156	55573.08237	45292.20734	42812.04973	48464.61192	46916.63716	46243.70294	54153.98281	43474.60446	54778.84935	44973.09198	41377.94241	46439.08138	52302.27115	46551.93607	50481.0353	42114.8972	46760.9706	43971.16414	43397.53019	44558.56637	54133.27829	53586.0964	49811.33396	58919.51545	93211.22499	76737.80437	85265.50832	81323.96777
N-Acetylornithine	5322331.097	5115647.44	4707331.991	5234303.399	4509545.194	4670509.029	4880207.051	4745603.991	5285837.061	5221903.779	5622989.757	5412618.951	4561440.681	5175399.005	4487779.61	4942208.292	8293152.47	7407968.073	7751663.225	8680420.229	4890190.508	4850133.901	5073515.935	5213395.41	5072499.773	5353224.924	5391106.992	5014433.818	7211994.926	8029753.587	7971258.823	8410420.099	4834301.666	5052785.736	4333936.499	4837543.916
L-Arginine	20168007.65	17458094.37	16361569.47	16959291.26	19997245.09	18955218.19	18562427.84	19391863.74	19814852.99	19723115.69	18370907.89	18149831.38	17985415.82	20091996.33	16434676.06	17042708.05	22452372.99	21224980.02	20135052.81	21924328.48	19990788.76	18149927.43	19138249.72	16779573.56	17031383.58	17323167.05	17365137.81	15912538.37	21950528.52	22332763.83	22130976.19	23941259.66	19695265.42	20076183.24	18663071.69	17754708.14
FA hydroxy(9:0) hydroxy-nonanoic acid	129352.949	118585.6737	130434.2606	145386.8164	140467.9577	141429.1015	147045.5078	152375.6837	164296.8955	127584.7563	174280.3558	243791.8402	228575.6333	217246.3071	182346.1227	250722.1087	231333.8998	113560.6647	100335.0806	201178.7427	214352.2806	181298.2745	256678.5136	168107.4183	191068.1462	166110.9032	208482.5333	179508.0874	109979.489	162650.5334	99633.58132	168086.8023	125594.5578	147889.9599	148490.4307	160060.4513
Ne,Ne dimethyllysine	459162.899	439241.5575	397575.5526	404532.4703	501230.0731	476294.8345	420164.7961	469630.9338	416457.5296	410622.9338	392554.0318	375571.383	352704.9536	357786.2552	336402.032	331293.6708	586051.259	507120.2216	522803.1739	540935.0413	413394.3756	350510.5365	365777.8666	298010.8684	435593.7426	432572.71	406012.2341	422367.8307	658052.7271	503463.7108	527837.1495	525264.7282	557877.1583	550001.4838	510379.8936	436429.2471
L-Citrulline	1297743.422	1343532.155	1119272.451	1243165.44	1435564.469	1349871.545	1248273.534	1340226.484	1370580.894	1361874.307	1120955.05	1277625.948	1188643.821	1363483.951	1201519.154	1077003.595	1622566.256	1440496.609	1379967.317	1559724.136	1294775.152	1119467.697	1291263.039	1122876.853	1344341.627	1339281.99	1167710.961	1111001.734	1784814.245	1716360.896	1495995.467	1571757.981	1673325.678	1715602.024	1504317.721	1459475.068
Ascorbate	821599.0675	625422.6085	470239.9693	512374.7505	450916.3213	356030.5541	333637.428	317073.9979	1299146.782	1017923.508	591946.0905	576979.7556	557044.4132	521590.2309	442868.5336	375034.2876	1646478.039	1016756.461	739569.7999	1193933.577	655501.1312	520268.5676	460770.4177	392360.545	702690.7347	487521.8528	402284.9399	419878.2824	1923801.485	1882646.182	1121802.749	1448852.781	1141904.262	835309.9901	663235.5332	515781.2633
3-Propylmalate	69654.92431	62873.26575	53784.16842	46159.60557	65596.91965	64601.76074	71192.4228	71105.70823	152013.1782	137462.8923	133414.0566	141204.8795	127194.8887	143736.5577	137806.678	122999.2395	214232.3822	189400.2732	186079.0961	210700.5981	43358.76095	69424.01402	65752.38122	58786.12972	66250.66174	54953.69163	66187.79374	36868.19374	208381.7654	201691.0863	175534.183	187546.3872	91303.70488	83896.05854	65958.13556	60948.70878
D-Glucono-1,5-lactone	66853.11465	53997.6688	53737.92552	54229.5778	40566.80471	41736.24855	43086.6595	36810.52031	102745.2247	96473.32801	83906.839	99633.74273	51637.11994	47490.17957	51391.85375	46178.93551	128096.997	88785.10932	107746.8952	132996.2707	53060.62694	51275.71776	63154.44956	44943.5917	49059.39641	48172.05765	39877.89376	53935.7439	141956.0766	154389.793	141343.1739	167700.1724	74395.19981	67218.13779	68814.80859	60889.4649
beta-D-Digitalopyranose	31167.0469	37594.9973	32790.48309	40808.78481	51742.90891	41886.00929	40529.85129	38478.10862	86339.36795	93805.99664	81630.12024	87785.47017	62813.84369	66912.5332	71700.35021	70716.61717	109008.4313	99297.67692	98705.52118	127275.1912	33930.88143	35946.94154	40830.1246	36873.12306	30522.0667	43136.30796	37136.74577	41099.7929	105582.6724	115113.8274	108657.4155	114665.1532	43313.09951	39367.72577	43459.80741	41341.83382
N-Acetylanthranilate	482007.1306	599264.218	538465.8769	648487.6996	356128.8108	288133.9009	377101.1296	387087.1661	571588.9908	479932.7	432072.2685	501978.3105	428837.3696	532055.0055	432238.1251	304720.3621	349305.2614	437628.6474	396348.3002	511260.6277	418533.3085	455959.6019	472398.4305	466455.6735	427711.5156	559106.515	420951.5578	459954.4268	549815.5258	456378.4446	505105.5004	675558.1375	758624.6524	724748.1042	913042.7213	976030.8261
Fructosamine	1594923.386	1436533.694	1727354.651	1666102.972	1031684.967	1046040.044	1117385.601	1247997.458	1792466.171	1650544.645	2043229.1	1982823.688	1531859.679	1638608.562	1426071.14	1720305.075	1217834.867	1251583.046	1495047.46	1637248.574	1297270.07	1190258.486	1683239.633	1542667.732	1018201.837	1121292.843	1300152.661	1348525.352	1407571.578	1575178.862	1699221.55	1902561.332	1962438.931	1843637.66	1965821.029	2642884.553
3-(4-Hydroxyphenyl)pyruvate	844250.4354	885680.7246	828172.5971	846038.9545	674549.1821	707542.5911	646504.663	710567.2465	1273499.72	1327845.522	1277262.444	1355377.951	1044072.965	1183124.593	1026607.992	1032865.093	1441053.05	1467953.137	1360917.613	1566241.839	841522.1744	846835.3132	734317.8227	736497.0744	722816.5517	783056.3317	790673.7892	696217.9204	1306656.992	1380823.607	1341754.886	1507839.998	1031945.394	1117440.295	990358.7452	1055331.469
5-Methylthio-D-ribose	79903.10162	65796.81645	68545.63328	71454.86134	74150.90825	79162.25761	97922.99942	69567.53051	110342.6289	82261.05452	103730.0381	54491.24276	126829.1694	112427.2217	107041.1274	120221.3152	59292.30082	73510.22352	52087.4898	52685.36588	186822.9392	81542.62957	112549.8038	89548.70883	93584.4367	65449.27225	107058.3243	88298.72401	72133.25214	68392.7779	71195.37424	61718.57003	63341.66708	84070.53566	62680.96362	47203.07086
D-Glucose	4242483.101	4211027.413	4037957.883	4283309.691	2636156.794	2316155.363	2401196.205	2558540.158	3258616.585	3097530.626	3048672.963	3204546.068	3263945.279	3396217.748	3129005.275	3148351.132	2001379.386	1899940.899	1917088.428	1981084.973	4034902.551	3634186.164	3713753.653	3712090.237	3041172.204	3074323.922	3054482.365	3136975.292	2862155.431	2862225.503	2710893.078	3067986.957	6465249.204	6092979.309	5632902.32	5875876.741
D-Fructose	831784.2408	734157.5087	677489.8155	751549.6777	729049.3257	655937.7702	615702.9079	690366.0003	818590.395	781364.263	643993.6284	676753.8916	1067753.726	880763.0433	848145.6097	794795.246	714329.9421	606060.7238	529794.6526	524736.9501	862998.947	756430.853	677378.4665	648119.1	805025.7446	756366.6213	721929.5704	717222.7262	759664.7286	669944.1267	553226.8497	647473.0868	1112125.158	920954.3089	875622.197	874788.4827
myo-Inositol	376765.6068	326117.9822	322271.7858	335468.6579	404581.6644	393862.5233	389950.2701	449723.0986	426989.7572	409825.3017	415342.684	464768.9978	439975.2324	400835.3037	431977.7304	398704.1638	396656.6003	366560.3275	377111.187	389554.5082	361029.7251	350995.6994	339068.5746	355342.4656	327000.4049	343288.2694	317939.5988	333768.4341	432064.317	415150.3959	388374.5618	460551.9355	628122.6832	571745.6113	486181.6674	543400.5894
DL-Methionine sulfone	137324.069	136988.2511	118234.5333	123879.6198	161894.4888	157114.8523	161661.4136	144685.6484	138248.2619	134393.1626	132552.1477	131224.7763	125797.5306	125321.7602	119621.3224	133051.8619	193900.6979	165962.0402	149668.9733	168137.0091	133544.0188	129416.038	122649.8778	113585.9331	130892.4723	157748.1444	116642.0718	128268.4778	179127.0173	187233.7045	167081.4726	198444.1123	160786.5012	189341.9224	163077.4371	155110.8811
L-Tyrosine	1188626.405	1175857.093	1169202.641	1217712.41	800819.4107	786439.2362	856890.4118	867895.0796	1031384.093	947276.3479	1019110.951	1004864.899	779764.4499	815728.5348	789988.7411	776019.115	1173330.905	1105694.337	1108307.191	1306004.201	883356.2994	875470.1828	917284.3877	893881.8021	1060237.237	985822.5599	1060772.713	1013523.778	1088650.959	1070011.869	1067475.106	1170630.277	1296267.288	1363810.249	1180810.172	1478268.814
3-(4-Hydroxyphenyl)lactate	234804.0926	214501.2143	197167.6187	201158.4921	174161.1767	184236.8123	151825.888	171995.8155	219353.9005	228713.206	206340.6932	228242.9151	174630.2078	183085.4867	171433.196	157394.2331	303068.2702	287271.7164	261028.05	303994.6227	208652.8474	190858.5463	173289.16	156037.8504	216679.5582	204680.6373	174723.917	189574.3322	286301.8087	258063.9122	232696.6321	270216.8103	249344.1509	232597.7227	201019.8571	204343.9697
Mannitol	3399112.585	3363962.221	3170535.61	3323780.371	2615457.221	2615415.625	2636173.862	2720082.898	2559485.399	2970044.341	2694876.797	2668777.74	2695532.492	2822853.117	2742828.034	3017226.732	2297879.981	2395792.175	2288777.222	2241338.192	2801265.828	2862159.981	3018739.502	2573993.45	2795410.051	2772824.738	2900660.175	2976840.877	2393428.313	2248866.262	2170845.48	2371684.132	3670844.128	3871751.728	3596476.536	3996480.708
Choline phosphate	157479830.4	160534594.7	159452499.9	153814439.3	177520826.2	185325774.4	182672936.1	184984445.7	166179523.1	161975949.8	151325623.2	165811968.6	140673208.9	147364345.9	134136870.4	152190276.9	206124551.2	182611862.5	173529584.7	197987559.8	155510924.9	151058571.4	161345775.2	165770733.6	165556562.1	167524514	175988687.4	173400752.4	192875041.3	202806869.3	179492761.8	207507723	180295668.9	189671190.4	171532812.5	178712183.9
5-exo-Hydroxy-1,2-campholide	145525.8525	57417.08628	158986.2428	121679.0859	190699.2857	127540.3029	125526.4168	111940.8815	133629.3331	119506.9923	134902.6521	149004.7731	107570.9941	160321.2289	164857.607	180951.1095	72924.53312	123595.6127	53692.13933	132267.0188	195740.8343	167064.3146	162796.7429	161739.1454	126111.0235	151786.4051	77568.24336	133332.1357	55511.93635	144099.3683	49261.38942	112927.6496	98734.11444	135595.408	122468.3034	116217.4061
3-Phospho-D-glycerate	8287528.614	7673295.554	7633328.708	7420107.807	7784238.986	7376305.434	7455421.533	7810457.135	3678408.101	3591652.085	3085879.544	3108985.76	3916415.174	4033441.576	3516353.05	3216227.364	3967703.884	3181855.218	3313193.671	3863651.961	9021152.696	8350988.447	8510901.646	7249278.727	10747931.06	10700058.79	10094346.62	9883621.074	4045207.989	3821583.61	3710134.177	4081083.774	6465181.61	5938433.788	5499847.535	5444135.485
7,8-diketopelargonate	74077.99826	100274.1827	90607.93833	75622.01911	87059.65669	105747.4623	90748.00788	82598.14774	96224.66177	91508.48964	68663.11775	82050.05008	101106.1704	142490.4571	113282.9721	109464.1665	67289.97268	68795.1828	61808.17877	64824.75216	135588.0725	130526.7493	112053.8428	101365.01	98065.51976	92691.6926	105324.8255	145090.6013	71773.66589	90039.47743	75044.17511	69447.48026	111536.9092	100641.1132	87513.46016	91048.98608
[FA (11:0)] undecanoic acid	173357.2985	145989.7701	156509.4467	242039.9565	297997.1257	247794.6639	268607.2818	157026.592	160532.0924	150568.0739	146392.4982	183006.8046	222475.9392	182181.2827	198093.2939	203515.6969	134596.6187	131377.0023	151375.4776	207248.7522	299675.2771	220464.3503	237136.3061	243443.2523	224741.2674	175999.5471	166494.4101	238119.1695	150370.9206	129200.4639	106110.2892	152363.056	148784.7843	212604.572	206808.6568	211268.8028
6-Acetamido-2-oxohexanoate	1483424.643	1879820.308	1708710.598	1833655.397	1518488.995	1835130.636	1404698.065	1391383.594	1699856.597	2207691.009	2055284.75	2358591.457	1288458.137	1779157.835	1940129.933	1490262.139	2479160.923	2596876.248	2491950.269	2579780.963	1249077.52	1665548.223	2205652.047	1785430.92	1806662.986	1845929.983	1826111.348	1734615.518	2112268.794	3013934.756	2339712.686	3029608.657	1133978.617	1593527.459	1534147.225	1336445.485
8-Amino-7-oxononanoate	171578.3274	161076.5395	101252.5336	213381.5888	189723.7822	170806.0398	126869.152	143965.1279	191117.0795	188235.8558	104951.3235	162537.3447	297882.1028	220867.0739	220596.9804	171444.5982	95974.39934	159921.9687	116338.1717	90527.35226	165839.3582	221017.7886	165620.0527	194778.1337	76786.23397	250452.1609	114943.7217	174384.7751	195595.5043	95283.94323	72962.32708	182855.5769	155877.804	156504.2059	99491.83547	96380.43681
N-Acetylglutamine	91080.84137	118409.079	104639.2427	102455.6696	157435.2975	183569.829	185802.7778	128727.4749	163971.8105	76073.17149	163328.1172	130816.6312	108463.5916	88558.99435	93797.56437	73173.79967	162156.1111	141092.7002	130579.4836	161795.6413	117053.4991	97987.49081	120902.8207	104221.0468	179623.3397	127571.8794	133875.424	209830.7117	102036.3633	109078.0907	92824.36367	115176.9194	94690.59217	113078.019	90059.94941	132238.772
N6-Acetyl-L-lysine	32551217.11	30222111.84	30307196.23	32102719.73	33369195.41	34614142.27	34530065.99	37620089.44	40807687.85	43875960.4	45046645.58	47613133.93	40379637.18	45921072.81	43014655.52	42550939	55494396.94	51001838.95	54602446.33	59198657.61	35866429.23	36172567.94	34999316.86	34939819.87	34968194.46	36399783.47	34374021.2	32697011.55	58946965.54	61481163.02	55866713.57	62631867.07	34083739.79	31512740.62	33248293.16	32582520.24
Homoarginine	313936.4211	261284.0766	258588.3759	287092.108	233476.6865	213901.1651	214961.3449	223412.2625	415090.7806	428624.1263	372787.0154	406625.0573	312243.7337	371971.6844	274676.1987	285261.6139	522354.1917	480721.7501	434063.0697	500195.3027	173561.1899	176953.0253	172695.4188	166898.3899	307910.5312	310545.3538	290964.3189	272929.5334	499890.9589	471925.8318	472060.692	473187.0751	241066.58	285382.9982	249624.0458	244129.1282
FA hydroxy(10:0)	86055.06121	93033.72165	84623.02383	89810.80693	104844.9416	93515.65895	84245.34533	93502.73992	91516.18274	90023.30496	92918.77698	112101.2725	176215.0524	183496.1677	147057.4226	124456.3729	86364.8125	77875.33664	68440.51025	81483.52624	142168.305	159748.6297	100391.2591	128853.2098	113811.5522	98176.61473	148199.9107	96825.55201	107605.9319	111649.0233	72494.18243	94731.06285	85718.52242	93441.24384	89077.273	73836.83815
N6,N6,N6-Trimethyl-L-lysine	1665117.689	1480922.004	1480655.931	1352087.229	1903799.094	1686964.754	1626248.994	1878049	1527383.605	1511276.855	1537444.235	1297537.14	1319435.712	1406005.465	1246236.227	1428813.655	2199579.997	1694563.79	1923867.604	2187162.138	1408477.529	1394712.496	1399315.173	1278123.111	1504303.38	1552360.049	1511158.502	1572704.54	2067683.855	1987657.502	2094331.881	2098337.576	1856465.661	1903924.552	1669921.972	1755150.042
L-2-Amino-6-oxoheptanedioate	513347.4878	475880.481	515633.4882	536387.9706	225856.4624	267527.9428	261932.6185	268463.6556	90209.80628	126826.3213	119327.6202	103501.9777	135761.7847	147522.6277	139871.8237	116466.4681	84374.85179	88721.00367	91895.9966	98684.42813	582816.7608	644099.2154	638634.1981	637154.6135	541059.9779	597146.2604	532794.5742	550116.0138	87260.52304	102834.1188	88684.45412	103576.7559	185751.7636	232698.3032	257477.0044	246507.941
L-Homocitrulline	136159.2114	128611.3031	99535.15453	165016.7054	186587.9113	124550.4146	121686.218	149813.0269	142095.3744	151777.2545	146471.3914	148459.6832	170804.8597	134047.4726	121954.4158	146320.9081	174874.1282	170749.9801	131243.005	145697.0292	127569.306	150098.1702	138045.2656	111603.6146	119682.4437	152580.6391	143332.6351	131319.0191	163296.4345	214749.6637	142821.1692	166028.6185	145656.6203	149805.7635	138266.341	121523.1213
3-Dehydroquinate	983357.4257	931190.7832	920701.2082	916535.894	837012.3389	849367.2	881756.3945	917432.4915	705190.6904	720575.217	675553.4734	738555.6762	627925.4158	650807.2036	617029.3351	646891.0707	1007399.592	890832.1943	921390.6039	1052468.414	859129.7072	865628.7745	898332.2016	821558.7001	1030290.059	1025314.813	1061728.132	1029775.825	931774.5626	943305.2796	877546.7568	975475.4736	1047841.71	1045040.179	936759.429	964214.1388
N5-acetyl-N5-hydroxy-L-ornithine	125661.2953	107277.9971	131403.0004	121704.9947	89109.18145	78700.82767	103913.9455	93165.75468	54724.87122	43172.38891	47820.19784	52639.77831	50716.15591	63786.10668	51715.29643	53171.6826	41368.2861	41045.22572	37819.71205	51029.74721	184647.7137	189809.4586	179189.0813	168381.1218	136168.9342	140330.3173	136473.809	131224.0114	36432.35251	48895.81839	46808.11386	39004.77187	107289.8916	107454.9089	72641.77742	98995.30605
a Cysteine adduct	4100027.085	4486996.299	4077374.045	3992989.692	3635445.398	3295284.024	2897978.326	3314468.973	4801341.943	4772011.176	4059657.71	4613277.172	3657347.781	4037414.467	3742112.13	3358090.746	5131663.757	4509280.098	4044466.065	4388995.182	3968400.607	3754263.643	3846281.602	3683769.983	3765278.304	3624628.36	3601227.521	3382565.043	5679069.366	5606789.078	4479196.388	5561210.322	6317384.173	6514446.535	5858649.343	5905108.708
N-Acetylmethionine	244470.783	302149.617	211589.2656	274092.0264	107917.9882	196148.7664	215100.4134	189385.0057	0	71101.10603	134693.0474	91529.61475	0	164437.4339	0	0	151521.0778	174410.2449	233210.7088	348105.4444	80051.33002	253878.1905	171895.079	148326.6392	219908.7086	290859.5014	296250.3387	231332.7943	180012.2192	147474.777	190208.0429	188266.179	99893.54771	87614.00303	240476.1974	91839.40776
Citrate	1699656.154	1560532.557	1473971.504	1523822.704	1653858.379	1521707.708	1531878.083	1610671.912	1347462.991	1304269.291	1333868.535	1453483.745	1477170.755	1497417.568	1490495.61	1433100.873	1286951.218	1099617.527	1134389.536	1278227.557	1614408.965	1517246.919	1560180.544	1716427.133	1491246.591	1559573.597	1586788.212	1554507.785	1455231.196	1355351.251	1324298.118	1640666.337	2210424.102	1949730.692	1800878.191	1925126.933
Gentioflavine	64711.46969	97641.56473	47678.08961	71025.52181	26667.92812	31266.91777	31115.36664	45797.38988	35331.45472	61195.00586	61246.29712	46755.57302	45777.09475	38329.97233	26625.53357	43296.50759	46017.82776	37876.13891	73970.03115	25907.62345	96035.04195	49451.53982	97326.40077	27846.71755	29468.70744	82661.92781	39673.85548	64038.31807	63590.92869	84915.52779	54917.01254	30040.97619	99813.91682	96727.12411	115543.9381	102027.232
Ferulate	601875.0916	533572.1968	517117.0759	597156.5742	648716.4622	545844.8006	521225.0216	635138.939	667137.4081	647220.1123	572309.9896	652501.7535	925493.1937	876290.493	741080.6476	873836.3653	493439.0529	514243.949	400901.8393	529397.5956	718820.0405	745385.6677	688912.3845	751119.2024	599765.3012	585901.3607	521253.7987	662628.9349	522396.9897	551606.0435	489455.7408	600676.0468	617451.056	563262.6569	459167.4917	557771.782
D-Gluconic acid	15846909.92	14490184.02	16211961.38	15975859.59	13605391.03	11614210.39	12711862.97	13107943.16	15819389.63	14457992.77	17460439.2	17632796.7	11509889.47	11387409.98	10476058.36	11181630.13	16313978.44	14896026.55	16846204.12	18729468.71	16787626.8	13737705.45	16394853.45	15702949.31	14625318	14332731.51	14959127.3	15129185.53	17843931.12	17060418.42	19692452.04	22843158.68	15682012.73	13700416.29	11473929.89	15519738.44
CysteineMercaptoethanol disulfide	1122457.95	1106652.651	878849.3101	1001330.526	542943.9258	519346.0296	530384.9615	512207.3637	816271.6653	846638.2435	720580.5364	849749.5798	804731.2284	927245.7369	836635.236	815496.6839	533279.4507	484431.3182	473807.3562	477724.6572	1104918.385	1089143.227	942142.7119	934529.2743	761594.7817	807274.1677	779539.3721	692964.6898	746009.5894	748386.9227	738449.0306	717478.6178	1662890.05	1582561.223	1470176.661	1483676.132
N-Acetyl-L-histidine	391661.2941	472329.0557	403564.0662	432555.8571	207827.7408	229346.0269	226619.4392	256728.0478	259136.9056	346288.6279	338277.7245	352787.4732	302555.2436	343805.3744	302956.7558	342053.5522	228958.4694	301293.6318	281917.6417	351487.0025	290884.5755	398658.4555	298475.3704	417442.2411	305037.2842	373194.3643	292969.5989	399057.0525	288162.7693	381338.4356	337430.0073	435971.5172	500920.8267	609513.8737	539777.1632	650725.849
FA (12:1) dodecenoic acid	202099.9696	303736.3406	205527.6857	373044.5185	506098.5151	173159.5451	213755.8096	253000.0074	397740.0879	190614.8811	188651.6106	181648.655	318814.6408	320091.942	440646.019	575851.6527	192125.8339	174743.6126	130815.3461	375112.2024	392883.7002	365915.8227	218031.1125	425773.3271	201008.6563	497159.8445	205237.408	238844.7039	130461.1338	145106.3063	113602.0003	355830.9495	466048.9156	208948.2777	167768.0637	197511.9497
3,6,8-Trimethylallantoin	75944.43286	65811.76337	67132.68206	63433.50462	43441.79459	44663.97487	46312.82101	42987.06543	21910.66953	18354.39495	19785.90366	24861.36933	29996.84742	31328.61516	24818.04108	27329.13435	20716.55814	14793.58556	13478.93141	13851.28714	119222.431	102057.5426	115388.8793	92730.81812	55454.03823	65019.57186	66954.00728	64344.58765	20156.58691	17097.34001	17088.12053	15103.69579	45482.67207	38950.77965	42198.05992	36957.01312
FA dioxo(10:0)	121652.4426	101242.3935	97068.33272	99368.37607	105000.5312	98416.89727	122279.6896	95639.55636	83243.22121	97122.28057	91327.5868	98436.6845	159551.2021	132436.4537	113728.9684	130286.677	68863.48312	63239.09353	76003.75399	112928.4032	144481.7399	93970.37602	110034.6528	125475.4273	101031.8424	100864.8147	96863.45083	107461.0318	95394.82719	87300.37939	84153.17107	96655.05466	90678.78055	103230.611	94957.32744	89510.19718
Dodecanoic acid	1110788.175	947476.505	731581.9521	1249684.039	2523954.167	2275170.748	4308946.849	1801764.896	1572477.425	1379619.99	1408112.895	1955844.973	2284994.428	2437619.399	2460962.584	2322857.199	2029614.428	2588788.505	2702139.561	2496364.854	4787105.645	4277722.272	4150793.955	4532398.738	2500786.737	2383763.125	2468101.744	2539069.574	2638172.592	2812879.992	2891396.927	2873866.665	1036016.428	1355194.42	1591269.75	1401570.252
Ovothiol A	1041978.668	972493.2825	909991.7442	1107765.741	948367.2188	963113.5625	920087.7792	971174.658	947532.5284	1155296.065	1042012.421	1174215.214	850719.1171	839565.9596	935597.6342	1009640.942	1457301.971	1362574.999	1323799.7	1592629.189	880354.1509	900286.4946	917610.3443	983517.2268	951979.9363	1091038.192	1062123.617	1175625.007	1357835.035	1344947.949	1277536.834	1597380.297	810542.2824	969240.4378	889771.5722	984221.1763
Capryloylglycine	211928.0076	239607.2281	214655.6351	226613.9445	313470.7497	214198.8114	256311.0569	184459.3006	297143.5214	278647.938	230525.7726	254314.0582	398633.0891	341475.9696	256096.4076	362803.677	126730.1188	218143.7994	200447.952	210484.2333	296772.061	314200.7445	244625.7308	274358.8182	267904.5999	243720.5755	175238.2488	290767.6381	248273.0435	216559.295	144184.1627	257002.2608	297245.5348	253320.8228	267343.5011	221085.7699
Caproylcholine	110131.5614	76009.30658	113444.8929	161472.5069	16746.33328	0	21460.16965	10175.53453	57174.78242	181873.2105	44857.69914	108114.5443	56307.63714	128036.3075	132421.3557	135178.623	105749.6617	124160.7969	39053.25312	149837.7126	85351.36793	131028.7462	77230.37874	78131.68139	156529.6774	97442.59357	85308.88468	96483.46466	92297.60974	133533.6856	84332.96637	146201.0501	0	0	10934.46965	14186.35297
Diethyl adipate	130960.4092	136570.294	119910.0817	142928.8793	170946.5852	134579.9612	139323.4301	100842.6467	132677.3228	128068.5896	94044.21458	130251.9026	186272.5566	163261.2708	136078.5846	134374.4905	106941.0278	98264.00898	112345.8561	146018.0884	172111.3642	153315.935	162858.3592	142789.8596	106214.112	124405.0734	103012.3561	137148.6108	93687.12737	124349.8774	94374.03945	123279.4237	115888.3804	143369.8285	125548.7825	115509.3403
Ile-Ala	54028.08383	34836.82246	25846.22505	28941.80509	31944.43689	29773.63817	20571.65996	39724.97626	52232.6601	47394.83627	59647.13602	45587.70986	36116.08902	38003.69512	33139.71675	32577.06715	63155.71803	67000.51563	60200.43351	79158.2099	39459.75782	29595.84782	31372.46219	35989.95691	24859.36921	20860.86008	38643.40128	23207.70367	62741.69801	62165.88936	60964.98901	76745.70499	45686.5249	49868.23569	44508.70277	47325.84382
Arg-OEt	321527.0148	303297.4063	299901.8849	248596.98	222458.3017	224021.4935	221884.9096	227770.104	259948.7389	277235.5658	257628.8221	267302.246	255216.9676	233966.2309	244796.3115	229537.6698	316940.8302	267782.5489	280388.7575	274342.3033	237041.2685	254128.3543	240256.0731	246130.5462	279209.4533	255291.7527	284686.4718	256158.4993	320252.9598	316647.2793	287522.7784	312830.4121	338580.9886	382239.3686	331133.0963	340399.7815
Indolepyruvate	2655763.79	2559324.949	2258043.751	2300770.67	2181754.048	2152154.724	2224466.866	2099536.839	2525545.693	2693019.882	2629730.073	2520961.881	2897285.558	2644109.771	2429407.589	2412638.918	2932487.828	2796514.823	2708342.291	3068987.214	2254531.261	2140593.657	1863719.16	1850356.992	1885156.027	2105289.264	1912381.638	1747861.578	3009117.486	2850698.076	2869644.354	3329925.868	4502840.291	3991945.379	3605633.745	3916311.926
N2-Acetyl-L-aminoadipate	266655.0608	253187.5379	239695.2466	224231.5897	326414.0134	328427.8896	274410.7834	307241.8042	307051.9416	303269.452	313331.8227	295692.8426	263442.845	271320.1115	319166.1095	256223.7089	423720.3683	369969.2599	322790.033	408978.0456	288630.7775	243730.7078	248646.442	219388.8628	256472.5846	267901.7916	263190.0059	248258.5455	387499.682	400402.845	365598.8537	416693.7971	345227.5007	323488.3863	306648.4327	300758.3227
O-Acetylcarnitine	51702631.58	52834219.69	46145902.4	46079579.19	54128569.99	51959526.06	42438676.4	48839297.82	11703724	12796638.67	12998110.6	12973761.84	13627391.05	16917883.13	15129218.51	13714791.02	14853967.8	13654081.11	12532363.05	15516904	33215392.69	39654188.77	35258614.1	33406819.62	68060923.18	56650665.44	54681348.63	57853732.65	13928226.15	13706106.93	13884150.77	15683769.13	38455034.45	36265552.85	38268822.78	35795292.59
L-Tryptophan	386177.8632	356833.7831	336889.1559	343958.7185	388663.3523	354344.1407	317740.508	388661.3748	284834.4167	288048.1557	270898.9091	311436.0358	256531.8039	280392.3529	242676.1918	271877.0661	405425.6243	359799.3442	356546.177	408083.5383	289481.6067	290582.9752	259794.1648	267746.4585	323282.7541	369518.0506	288841.261	295284.2681	371882.2096	325762.8958	314548.5663	347168.1019	422722.3682	430515.8219	379271.7646	436018.5025
N6-Acetyl-N6-hydroxy-L-lysine	475865.6295	446997.6766	453633.3083	425704.7461	391900.2075	402680.8172	391446.7118	451595.7949	613950.909	699797.1273	701671.9317	703173.5275	618398.4508	704508.8503	650104.0965	779077.4989	865678.4611	799720.9583	784792.3729	977185.6136	375051.1072	473294.7574	412624.4504	443370.9725	408164.9398	478562.0424	533268.3129	480991.571	780516.3998	852172.4911	778047.9206	987873.612	367567.6271	336128.2198	421946.2988	425036.1113
Indolelactate	66166.17113	77716.8783	70496.24198	76309.07512	78678.28114	85431.50046	82277.96668	89784.87421	101204.0376	103186.3936	95178.11854	99248.36171	77750.24389	101216.9887	84565.61609	82831.69255	129159.7434	140355.3654	114450.6313	153483.4769	62914.07497	53385.14931	61788.96382	45873.98063	57100.75143	74245.62277	63889.05767	60385.68775	82284.86958	104744.3849	102342.6068	114495.9358	109122.0185	107621.7748	106023.6925	103758.1116
alpha-Irone	928548.2507	1077515.228	974102.0037	892312.1181	900169.6437	1023514.746	1072377.793	1052598.932	1182003.76	1233919.268	1175502.631	1229900.728	1333496.726	1387765.206	1370576.348	1352563.276	1022133.632	1115797.67	1137937.027	1131663.913	1031260.09	934948.5276	970086.1891	869469.1112	1048969.773	1242990.817	1062080.855	1179016.282	1145663.299	1263958.446	1189800.151	1296291.762	948540.6671	917304.7394	922114.1609	941609.7928
Cys-Ser	95100.72891	66352.34221	77917.3157	72518.67359	94086.88522	79907.63712	87437.2983	96473.59073	78158.3801	77866.76761	71982.91275	81892.79034	72877.37808	79675.45381	73469.17213	68080.90962	104790.8157	102678.3968	97066.46103	96577.79824	82206.50807	73418.16018	68349.73598	75958.74121	80882.7311	90147.03697	95430.14693	80823.66348	104498.5558	81647.59546	94318.92618	108485.8256	114080.3481	82537.53182	75840.08716	86307.73425
5-Hydroxyferulate	92586.89349	99084.11218	62460.68857	199056.4005	95866.68424	102479.114	107745.0921	146541.9103	56172.31513	75929.49052	102367.7606	173843.2319	161698.2623	89959.99023	198894.5556	78594.68642	49597.28337	67305.10021	86838.72909	69456.7401	164390.9842	157773.1797	171775.8417	144595.0299	103226.1663	70020.71219	117751.8146	142232.5629	148098.4732	69176.0916	166991.1582	115710.2486	51343.9157	62950.74297	80752.33505	83780.63215
Sedoheptulose	90088.73879	94661.86399	65704.33504	91164.8365	120028.9035	81198.73326	139106.8381	130075.2008	154624.3056	152593.5062	159187.9145	128328.799	175327.3157	180290.3133	151353.697	172495.4462	198644.0475	167426.541	164434.2106	154308.2026	99660.92913	110125.1012	95795.40526	86161.49914	69415.34099	114830.8953	111468.3322	113879.2867	266641.9985	161071.1908	150134.1212	200502.5509	110600.651	90563.77073	116757.6197	100089.5497
P-DPD	92801.92531	83814.66217	88101.83993	85560.86914	111834.6322	101677.5547	110256.3002	116857.6524	117977.0798	113316.4295	126567.4703	126400.3462	100057.6206	92210.89459	82845.9552	110472.8127	165243.7636	155777.0368	162060.1071	190991.9926	87216.90608	87478.63149	96513.84268	84556.96286	84177.28199	97560.90146	98949.26793	92966.56799	156805.5804	169017.6424	167805.7444	177100.5793	137634.0073	120897.5499	105891.7919	132406.2593
FA oxo(12:1)	100809.7275	73224.25651	77631.80437	104059.4035	130169.9442	150768.2934	142018.9479	155698.1114	121777.7325	128566.9604	113062.2265	137616.3343	134966.9625	182657.4593	107702.6788	132392.597	96435.23633	104360.0717	124022.1435	153594.8062	112823.3234	23372.84888	121910.1812	116136.9193	77946.01246	104166.2204	77215.03161	113882.223	110187.0789	113239.2864	108451.0068	156122.2788	97213.19017	125948.3948	120112.5973	165665.3503
Dethiobiotin	48565.09198	43796.56101	44379.44742	47507.41202	62340.50872	49760.01833	55587.43149	68173.92153	51878.7299	61332.15398	47886.95251	54717.70369	60808.63139	45867.05821	62487.24603	53117.43423	70566.56091	67218.02061	65104.35038	76064.89428	50354.64157	31278.45761	47994.05339	41963.56674	66263.99172	50459.55892	53411.02147	65844.92361	77431.56306	69638.45784	83674.69302	78514.96079	56795.46273	55809.02214	54475.98146	46716.18812
FA methyl(12:0) dodecanoic acid	178820.9792	134212.7715	124608.7582	289687.6915	297233.4859	263922.0265	277297.0701	215387.558	186941.5276	174927.913	174751.5437	250125.3687	221292.5682	219593.7002	259832.5312	272270.6217	123678.836	189920.4112	231057.9392	228388.9919	312679.5156	229975.6328	233656.0374	285940.3281	214255.5479	162554.6023	196322.4918	230473.7187	175857.9558	181096.4002	228047.3401	184375.5026	169494.5603	153112.4577	174090.5787	219907.7582
sn-glycero-3-Phosphoethanolamine	15166304.03	14204765.73	13414459.42	13371854.91	15516152.91	14600734.25	13929260.97	14770862.88	16080282.78	14795492.31	15515134.2	14712545.22	12941640.58	13191545.18	12724488.65	12027321.77	20284978.11	17875136.91	16793666.41	20149921.7	14924711.53	13325941.76	13330373.12	12327447.01	15885008.97	15195801.19	14648736.88	14385349.58	21277142.91	19706972.89	17841751.4	20439359.16	16425419.52	15360492.82	14502270.58	14372085.11
N-Nonanoylglycine	1104893.855	870029.8814	913896.8024	876988.8779	971635.9121	802806.6453	711317.6079	898605.143	959386.257	843489.3699	809214.9346	992094.3745	1447989.195	1303912.488	1126304.88	1132947.881	739920.2224	669962.3127	591838.6032	918018.0294	1248145.38	1029246.325	955833.2337	1088641.823	946740.3407	792653.9267	875612.5407	972274.2908	904415.1126	817831.4308	751736.8989	919118.1962	1226559.572	916965.8406	730920.1845	887732.1734
2-C-Methyl-D-erythritol 4-phosphate	9777708.773	8935834.445	9877567.166	9923413.685	3203765.716	3310264.364	3571522.286	3472407.491	7185105.362	7129287.236	8764291.673	8536783.385	4502230.196	4272471.502	4484250.571	4758937.723	3504227.113	3260847.074	3916103.923	4265250.013	7853874.442	6602447.706	9349538.671	7789706.777	5491891.819	5877170.287	5723619.63	5874963.877	8247040.106	8295728.591	8430227.255	10297972.71	23319300.89	20368011.01	18057252.57	23931271.18
cis-(homo)3aconitate	66123.12119	57589.23312	57987.12251	45984.14355	43591.10104	53361.62041	44256.59833	44770.46217	69245.98427	73618.96642	62151.51427	68402.92956	58342.59387	57770.42949	70529.40558	49030.11144	83091.83451	63271.98519	69618.16274	86704.32811	61840.34475	57051.88271	56569.34862	40002.3936	63464.48519	76288.50766	65974.9015	60096.74454	87934.22932	68542.95676	76581.81123	69020.00436	60185.45942	53005.86993	55240.61234	50134.59329
gamma-Glutamyl-gamma-aminobutyraldehyde	32428.25203	45105.32351	35148.43371	44879.8497	40175.93147	45806.83213	43436.85271	53732.95969	39382.35297	32991.95431	47721.13325	47100.67746	23340.63739	46852.93119	41781.85217	53187.19794	58098.89412	70838.08388	63612.82304	76871.60794	21064.11965	37665.42378	36465.43082	36448.24987	25600.55746	40323.15649	44343.76291	35389.14377	51018.98909	78259.69004	61252.48241	70454.99013	31683.06779	54213.32963	44181.71802	53264.92939
O-Propanoylcarnitine	113001.0491	134142.8292	127397.9511	122874.5095	110701.79	88574.62121	90799.60675	107066.6596	87980.14647	76185.00049	74784.48842	82284.24928	77797.65195	81738.80036	91803.29199	84289.38404	61736.48267	68030.38311	63661.10573	71655.96101	120898.5847	114113.8346	125823.1845	115198.4545	98461.6552	111664.3109	110890.8505	107402.9755	92163.77105	79970.71725	92613.89482	90654.9745	165877	186461.9164	154354.1349	191880.1344
Pantothenate	760533.4042	963730.0656	886663.5024	873814.4468	642978.1998	732171.7546	609500.7524	713418.5245	1136210.325	1238413.089	1211149.418	1321486.419	944108.879	1150051.929	1120461.773	992926.0565	1300286.277	1424747.778	1354517.098	1463995.92	659928.8316	838255.2102	828992.58	848596.452	715321.6516	945274.1827	891978.5479	813112.2927	1398773.964	1620522.594	1484933.213	1674189.373	960008.9837	1208820.259	1173299.477	1193098.481
2-trans,6-trans-Farnesal	140820.5396	151311.5943	153182.6616	137867.437	134701.0936	153545.4199	162424.1506	144201.3625	128136.7282	154354.2924	139458.3337	149531.2161	196258.3487	234691.5755	184562.6331	192986.0102	135067.5306	136497.2484	141221.3813	131798.9142	177618.7576	167589.128	174264.5844	150992.2933	147393.3079	209733.8484	179049.0505	186284.6383	124775.9531	141290.1778	145047.2567	163518.3646	137982.4966	151894.5879	142468.5485	141747.3885
N-Acetyl-D-glucosamine	137998.1643	130883.4146	113868.3067	129614.3979	152092.8632	164808.9249	159997.2367	166215.5473	174080.906	149828.3974	138250.1632	152724.1928	149459.6622	147427.8937	133061.1948	125655.6197	232320.5115	176913.5038	171621.9478	186127.5918	140842.742	161564.1558	135085.4719	118665.3921	158934.1964	157347.5107	123766.975	118771.9168	191810.7667	186220.9225	183301.8378	227714.0417	196366.4901	168198.175	183164.3106	164338.9763
CAPS	20980130.64	20690730.31	18404847.25	17811939.3	21047309.99	19906954.2	18251453.53	20121585.31	20787216.7	23416016.26	20366684.03	21293124.94	26293465.99	26943692.13	26561036.77	24867722.28	16900986.33	15993439.67	15216478.72	17260676.76	26477027.69	26982942.6	25728599.62	24713557.63	21318539.37	23132388.69	19916460.94	22312275.33	19258912.09	19160157.46	16105789.62	17785079.31	17762825.59	19727635.27	16995309.8	18121177.08
L-Cystathionine	2279053.343	2414635.832	2587159.526	2417908.09	2514375.603	2529392.371	2368518.285	2692373.199	3351240.7	3343410.25	3581449.386	3592840.644	3241402.23	3275211.106	3104768.868	2964527.264	4191903.214	3856645.552	3847349.202	4132962.925	2920780.223	3079539.935	3077462.94	2735668.566	2598477.323	2730222.337	2854653.215	2832579.012	4019122.795	4201507.209	4001910.91	4415176.817	2173750.469	2296181.443	2184933.287	2270230.921
Apiole	236547.2322	292788.1062	221938.7019	241195.3108	285156.0612	263365.3239	255079.4005	257078.9364	282274.6107	257613.2276	275182.3407	316317.2182	374844.0886	383973.3391	366714.3298	386311.982	213543.5423	237384.8299	206413.5063	226924.9206	346006.5243	390419.4168	335817.1023	339221.1409	290011.0316	276009.1735	297971.1922	299248.4068	249871.2964	249832.7106	209346.7593	260926.3579	235181.7272	244737.1866	213549.4619	255121.4045
Rishitin	226314.1101	208521.726	158091.6145	212379.0262	338588.5434	274173.5883	350550.0488	198242.1743	183314.4486	182208.0865	175879.0433	248264.3666	245619.6328	214825.6978	238088.7468	285409.8106	119907.3315	154519.8494	194764.2372	266773.2987	315274.0275	255195.7891	318788.074	299790.6082	196044.2189	227358.2307	240510.247	251941.0541	177280.0772	212143.6198	140467.0942	248527.6081	156425.505	269388.7765	265979.8673	374369.1174
N-acetyl -D- glucosaminitol	211809.8855	188414.3381	191794.5319	186539.606	186513.5088	186886.1024	190750.7037	204291.7467	384721.8224	354376.0003	333256.1883	370161.654	305566.0721	272407.3863	270229.0471	279056.8633	447705.2623	438352.7661	426089.8822	444996.1375	250749.5364	239694.7329	250069.1441	226116.113	163374.3212	139701.2175	152691.601	144969.6081	461955.104	440993.2253	447862.7494	478219.7336	286162.9154	262552.3938	251596.0367	282674.5294
Aspergillic acid	287894.25	247203.6817	295100.8006	274380.2111	369470.0689	372226.9712	335181.9411	308741.9289	301081.4844	406945.7396	368743.6441	386339.0621	344963.9563	386356.7287	473228.979	380863.3601	320956.3192	200228.7754	213663.2328	259072.565	420685.1606	415387.8964	338099.7629	338594.7891	338949.7515	325306.0812	371330.5299	374036.4358	221663.7611	217083.6961	217952.1786	372251.3326	195533.8918	270932.1081	287666.7523	336983.8568
Carnosine	145663.4436	152359.6031	112494.5079	144846.5466	100373.85	85837.68137	91955.41192	79053.99108	115432.583	128146.7616	110342.4657	115641.5774	102901.3616	95369.49235	86795.18644	63087.01948	160803.4296	97095.76141	99131.00238	118146.7734	119586.9041	119366.5078	119005.0895	96015.251	96631.76216	104070.5496	98692.67474	88131.82103	152090.5378	148581.9602	123757.9457	145571.3309	179789.7137	162590.1609	181712.4605	167788.233
FA (14:1) tetradecenoic acid	119171.9085	52070.47344	39568.34309	115553.8105	155107.4036	139390.7031	103431.2412	47959.84751	110656.7492	51412.35288	56651.28912	115014.4167	133107.8895	85129.45022	182214.3956	124546.0011	98404.65184	121210.7273	119413.0734	127990.0181	184311.7958	169555.6915	142447.2555	209316.4712	52339.73881	72786.05886	61976.19643	73932.95232	79864.38155	102343.5892	153286.4856	111322.5293	148012.393	42569.26129	42531.29765	80866.45133
[FA hydroxy(11:2/11:2)] 2R,9R-dihydroxy-3S,4S,7S,8S-diepoxy-5E,10-undecadien-1-ol	106081.2261	83259.17815	79009.67251	100403.2515	81132.72385	61102.83679	60338.40692	80982.23619	120006.9288	101364.4237	91254.87216	50529.68275	114077.8769	60856.50784	127715.4442	85355.33844	67841.0423	56309.05824	69335.43733	50626.29685	106918.5652	111520.2445	107735.6755	110649.1466	86125.73142	70137.29993	66984.87971	82841.47191	65978.71909	76683.36987	76682.59413	55239.48199	101470.8611	74173.26168	85221.09572	56017.89233
(-)-11-hydroxy-9,10-dihydrojasmonic acid	102484.5775	44712.98966	83810.43677	55395.003	69130.71175	39466.21123	90398.82688	57699.09901	70342.65661	41621.07391	61359.15782	46436.29789	37669.8672	48455.76818	67043.99652	47161.45827	41032.68244	26878.08828	24800.70582	52460.16561	57123.84509	79011.80213	69479.42498	76191.62892	44124.86759	50677.76914	28642.4178	70613.87213	53969.69627	71558.1983	41542.59721	28467.7705	41327.69018	36554.79033	40247.74707	27595.46547
L-isoleucyl-L-proline	332685.5596	271630.0665	231595.1902	285025.1136	291550.9339	262546.3176	267394.9352	220836.4696	369774.5331	399526.7309	268330.9019	353720.6038	422736.3535	433261.7144	385787.3948	364514.0304	331275.0121	191938.7291	181430.0591	315646.9846	489215.4381	380135.3831	323934.875	368217.6185	349267.1712	270646.8099	278813.9141	270194.0311	291016.6511	387238.7688	230163.9105	282779.6829	310534.3344	291387.1033	204194.0682	328103.3971
Butenylcarnitine	238443.7912	154409.6323	335865.6001	257024.5866	187895.4232	354844.2898	215708.2251	171994.2811	235622.9715	184354.6508	74881.02112	207705.9444	289382.1902	334229.924	492701.757	313706.0582	139525.3171	268915.6565	116366.4175	168978.2504	187767.8313	233537.3313	340511.0634	332121.8934	333533.4224	310227.6236	324153.731	343318.0684	129074.3388	121943.5093	114533.9422	217519.2707	368975.4649	175145.637	236678.3236	126273.4548
N-Decanoylglycine	735914.8824	788956.9935	688562.1421	689306.1253	172303.9964	165050.439	227914.8206	145821.4328	113252.8482	102455.77	108437.823	113566.661	136420.5554	109732.7282	91626.79222	83375.23462	82575.222	92331.18917	93055.64583	76284.56	68185.59449	72390.82373	77906.71975	65448.89716	56986.68132	72476.97518	56557.13052	65224.6187	79518.95342	73199.42814	105514.0612	78688.73153	164817.599	186234.8694	192044.2269	188700.2965
[SP (14:0)] 1-deoxy-tetradecasphinganine	217774.6464	217133.3733	181005.0908	230655.2825	242991.3873	204171.2487	186024.6915	232324.2269	234268.798	256587.2722	231901.5074	277501.8908	402791.9003	325945.4344	304188.1526	319975.4104	193582.753	178330.8355	149018.5928	206481.0225	291338.1134	312913.4925	214548.0713	232682.078	278567.6464	289034.433	190190.7065	243225.3365	199606.171	286956.386	142724.4352	267274.2661	195227.7665	233405.5833	169037.5954	228275.7001
D-Ribose 5-phosphate	1085876.253	1020533.953	860978.0645	863961.8156	1190934.952	974640.6894	951572.9874	1058978.37	1233342.451	1089924.279	875810.88	906271.9088	854615.5671	806088.5313	744312.5408	669688.393	1703359.446	1182415.777	1083092.332	1307897.789	706973.5163	592727.8103	531258.1891	511947.9618	824693.4538	733962.2637	657135.5565	704739.9385	1688433.663	1540910.433	1157504.032	1423265.006	1664716.962	1438795.722	1274120.556	1202944.763
Ile-Val	461457.4433	299702.9416	394782.0486	421777.8606	430387.5098	352275.6312	361798.1552	439423.5697	452868.5852	393225.4568	395589.6277	497594.7216	535818.5798	526785.0775	537621.7838	533006.182	273961.2134	342927.5407	364661.5333	303300.6577	563653.3587	651810.9016	499676.2178	526627.3784	414643.8252	422833.9253	374064.0724	472837.9642	497512.1941	330831.7525	267750.1608	344455.4264	402250.8748	324554.0683	423580.6345	443561.0595
Isovalerylglutamicacid	68697.71853	54560.57411	89486.49476	51113.27092	87070.25426	51411.44928	52276.26828	44729.47641	70517.84844	53586.12458	76128.53625	69106.20334	123260.7624	115925.5603	57781.92253	46069.57281	85752.82815	65790.68556	65364.72249	67997.88421	74206.23164	58738.87928	72244.30004	45065.16122	61539.08406	71090.85773	86476.68416	69219.70242	81418.48891	68048.92669	90187.05246	103447.6968	96247.45825	79253.67785	81132.90443	72995.03687
O-Butanoylcarnitine	117837.9999	108137.6915	110038.8361	109245.684	103202.0474	82351.95142	82881.05258	102875.9877	94988.44035	85880.08486	112171.9603	105528.1054	118207.3301	116824.9615	157590.4746	110464.7399	97177.73564	80417.18785	100197.7691	103164.6889	129440.7886	124045.2565	110059.2529	115719.648	82712.42111	98683.18658	120027.593	88818.93201	116428.4071	102742.1378	94011.34039	97425.45505	130947.7159	141490.1563	143600.1623	150169.9421
(3R)-hydroxy-N-acetyl-(L)-arginine	1818887.215	1858171.002	1595044.089	1726201.428	1207255.796	1144821.393	1198192.096	1207138.357	509467.5679	514304.1645	521471.4091	649733.886	669921.0622	695453.7749	690236.2481	636608.8598	412271.6542	385655.9819	330581.576	398059.3258	3353365.968	2672567.14	2960915.682	2783589.063	1661907.186	1695498.059	1680558.907	1620553.694	414922.274	423948.5477	391421.1709	433061.7313	1075156.906	1075317.969	957399.6333	1089278.307
Ile-Thr	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	300029.1146	241322.5397	215255.2699	290853.8505	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
Bakkenolide A	227900.0207	245576.8121	221591.6988	233257.2144	246760.3606	247784.5001	325001.913	287649.6654	305817.0058	254062.1916	265689.7721	300310.3527	340289.8393	327488.9323	366927.1506	417597.4127	203286.8454	227258.785	256155.6722	261384.7107	267166.0222	272720.589	302720.5556	266358.8067	231594.9384	300846.079	283374.237	257977.3971	246505.3438	244812.8018	253618.2998	289461.0333	287558.0269	270188.4306	255372.8742	274450.6768
Met-Ser	96781.96793	108391.7194	134667.5752	97047.66084	66078.57484	110513.2005	92983.99043	117188.299	96358.3295	102971.9066	132831.2611	128176.8283	140066.6538	134259.7216	133083.8728	154008.9927	83435.8824	86646.43209	121831.1043	118661.256	101651.5476	128507.8836	154315.465	145673.4942	80932.20899	122086.6744	126610.0333	140287.3661	94864.55483	84790.16525	119023.2948	104603.9374	142798.2003	150030.037	149792.0421	207344.6455
Ile-Lys-Lys-Ser	66928.18672	62222.32041	64016.9376	63592.87633	63349.45891	51445.53152	52204.96353	71845.86111	68450.78285	73230.12668	76942.0222	67978.21107	50614.76551	61382.91907	51831.51609	58022.97594	464614.3735	515051.0617	466791.3252	484069.5679	62802.08241	58533.39633	48190.06562	46148.7471	69902.87309	53165.38851	56315.24049	79214.88623	98763.38987	108480.067	84568.14524	119402.7574	75380.11949	70427.34159	49802.89898	74376.55222
HEPES	88769977.43	83862868.88	68325119.61	63851510.55	45994544.67	37390589.16	32265815.85	34336217.59	80095684.89	62285732.3	50495625.21	54373733.46	72705213.91	60401929.17	51604616.65	49613402.34	51825423.83	42653796.5	35732150.54	39698157.03	91515283.05	67088498.87	62630297.32	57061282.67	60422917.1	57134420.83	46750541.39	42999785.86	68070244.32	65450401.6	53314644.21	53983402.39	142016864.3	118680377.7	104046965	95773072.54
Dihydrobiopterin	3262305.059	3253171.727	2592656.184	2718063.681	1687892.155	1399168.462	1330850.139	1310210.684	2796280.03	2242430.812	1878917.79	1933372.066	2750943.174	2180621.623	1983843.057	1861794.049	1978048.218	1539518.37	1176336.956	1490515.571	3332071.257	2577624.221	2289379.636	1999707.856	2203021.078	2001677.267	1727016.942	1909570.905	2697880.559	2288713.853	2114489.497	2571639.79	5730109.804	4941162.119	4544401.387	4536564.273
L-Cystine	28926.90543	48239.02822	38856.65173	37799.45084	46549.90906	19352.26643	35424.98251	15753.0116	77217.03895	68297.12639	76838.2909	60032.83789	176846.5293	188554.9095	165132.4575	121862.7083	12085.13006	18061.41014	12929.69713	15106.78939	98044.13675	79759.48474	75193.13274	75336.50967	47253.14905	32829.41219	24582.88229	44397.11084	31819.45241	15051.72197	14597.23511	18362.54679	43705.47792	20408.21459	31824.99695	39122.4189
Hexadecanal	198290.1376	227003.6632	208423.8457	224902.0577	261047.9056	305041.2449	285142.8605	285799.8282	336302.5567	341275.5395	324616.902	339216.6461	358567.5668	319238.6143	312396.7254	348460.8634	371997.7026	387579.4938	400385.0875	329099.7604	203026.2721	223593.8925	234459.4598	205593.0367	216067.0195	248371.6392	209136.2835	243171.6335	353288.2769	365316.1382	376302.7783	414387.1365	329462.8032	300300.4692	285697.6746	282897.0911
D-myo-Inositol 1,2-cyclic phosphate	9035090.499	8651270.827	7741445.885	8226110.806	9034011.767	8436568.474	8061253.261	8633223.08	9250507.446	8291352.69	8209630.561	8046758.077	8277271.659	7751306.254	7137769.59	6968952.472	11189993.07	10195795.66	10001932.83	11108485.99	9035488.919	8173529.234	8251158.593	7613783.986	9074487.027	8938340.482	8787208.53	8454039.534	11206372.08	10517918.85	9832231.631	10898462.45	9794832.589	8396404.978	8157691.672	7951249.434
6-deoxy-5-ketofructose-1-phosphate	1049570.639	964114.4426	792009.0305	769721.4079	1029140.262	818688.9066	739568.6821	734084.8113	703318.1749	680397.1419	577707.4852	556057.2085	698546.3759	705344.6108	651988.9278	536719.5875	534409.7509	448595.153	400395.25	434350.0743	638133.8731	623903.2373	524649.6463	502691.2581	1020049.824	990029.5045	762362.1141	828655.3516	545150.1305	535599.1648	412020.3243	534081.5094	1003404.174	1070919.378	955324.2757	852000.9451
Pentadecanoic acid	170332.4023	160312.209	164416.4579	170618.1529	176548.9674	174317.4512	162193.7872	162197.7528	182637.0294	165288.6251	201352.2356	192193.2615	262485.5927	247747.4765	241712.7236	229844.8014	146740.3584	149112.1036	137439.618	145720.7298	230290.1095	225118.6478	200124.8359	198177.6301	181423.2228	192890.0765	193085.7814	184511.7762	154512.0272	148806.2988	134554.944	168555.1497	156305.2878	160726.9777	138919.5285	163229.5762
FA methyl(14:0)	577939.6898	635464.0959	611657.5262	849969.5711	813212.7717	859362.4096	1114746.902	832686.7933	869167.2297	708597.4338	752016.2274	837751.6806	687764.3481	747193.923	1130500.108	829637.5913	981833.2172	1149541.186	1064344.771	997925.9129	1104366.172	929392.5102	962181.1903	1047069.293	799827.0057	732712.9323	854100.4056	799440.5752	798148.3313	870343.2298	1010466.525	845347.953	850663.9147	608090.7017	666041.2153	658374.513
Cytidine	164552.7457	135533.3441	129794.953	116315.9616	125958.4492	96505.21431	101853.2001	125126.7227	138834.0326	123402.7348	111131.7183	124544.3778	145750.0377	134568.7	121904.356	110611.0412	168154.2298	159786.476	114186.6404	141421.1838	135561.8511	136525.5486	110116.7792	125610.3837	124529.1368	126485.2969	117262.4068	106995.3928	167473.9442	170151.9794	146459.1521	171163.3984	171802.6424	173837.1535	142713.2356	164314.9817
Tiglylcarnitine	509573.7686	519449.5137	563620.2416	512944.0475	610030.0603	486206.8852	562175.9308	568233.3747	742057.004	502691.4432	556473.1194	587745.6015	850215.9531	865309.9356	714017.567	940091.7279	509262.4192	476066.6095	381765.2839	474320.4327	801890.9479	739319.8275	818636.5005	696452.4189	699436.5642	551372.2445	584038.9895	649834.4145	510116.8032	518238.0378	444165.075	565390.8872	516451.886	550239.0168	512269.2914	605105.6819
N-Undecanoylglycine	16714043.27	16855234.55	14676452.16	14710343.49	3644439.398	3557906.543	3894731.15	3712617.647	2206976.531	2138861.66	1810453.181	2069205.412	2099976.995	2059696.319	1983102.219	2106058.177	1616668.771	1489809.455	1462661.101	1490051.68	918720.1311	669338.9536	695617.2265	664734.0698	665587.3186	650763.046	633507.4497	600406.6964	1315481.345	1352651.727	1362492.118	1274093.328	5358599.953	4980505.577	4698975.173	4799348.122
Pseudouridine	1387723.183	1355992.024	1306977.671	1304533.468	1472165.667	1426426.424	1436094.66	1454727.097	1468335.557	1396615.554	1332166.517	1449506.243	1344100.511	1304975.017	1262895.219	1254180.411	1742405.708	1601081.341	1503323.687	1692734.084	1402366.508	1275106.094	1292850.941	1153856.514	1497345.365	1449459.842	1486321.522	1385052.371	1693684.511	1608862.561	1563481.91	1715233.784	1574282.099	1399803.118	1302857.129	1388256.185
Glycerophosphoglycerol	1711684.104	1605218.998	1687944.446	1629756.616	1633358.814	1746374.444	1863619.224	1887627.105	1758738.666	1816635.29	1812484.994	1937360.628	1451815.844	1523948.374	1443144.072	1476466.774	2590118.521	2505390.947	2637512.876	2985362.662	1496377.967	1511738.413	1622097.145	1537606.946	1587724.344	1721900.436	1775912.151	1690646.335	2432408.089	2568172.122	2560025.765	2850477.519	2032296.108	1883693.362	1749910.87	1950607.611
5-6-Dihydrouridine	119215.0638	122407.0755	102458.1478	110481.9616	131111.6203	116248.8065	109969.6323	108251.4535	135235.2669	117242.3786	119243.0293	116514.1316	113137.0171	103065.8953	100623.2322	99755.1331	170828.4668	130411.0692	136014.5688	145723.8327	113618.981	105993.9302	95140.1512	106272.2239	119673.1978	123928.8067	106125.1492	111069.5511	169846.6502	156652.8593	132236.1208	156732.2818	126433.5061	120906.9089	118816.2151	139363.7061
N2-(D-1-Carboxyethyl)-L-arginine	234527.5047	236484.9997	213919.3412	217228.9381	264251.9142	246712.2124	273022.9695	261915.3132	384202.5494	363717.3737	387576.3284	428598.8375	341239.4037	350969.701	328523.035	388542.7656	502342.6265	521017.806	454082.6977	519498.1582	208070.4989	218150.7401	236240.752	197325.0572	237069.0386	289826.7404	273365.9192	264869.1316	460632.6277	434090.2752	448253.9652	490867.9155	266441.4833	258621.2698	294321.6215	243627.0799
N-Succinyl-L-glutamate	119849.8414	121030.2207	127148.1173	117877.0387	85906.33655	76508.83674	97311.36901	100330.5112	17558.10271	28347.38163	33730.11115	18342.35519	0	17995.11239	0	0	58368.78395	44369.99728	52738.44145	50323.9484	57795.03788	73176.90044	79434.9427	60946.39998	104600.1771	121744.0593	126564.7517	115531.3917	53925.76979	59863.83359	66689.18414	63119.30728	122821.5217	144257.4493	145728.9105	140358.234
5-Hydroxyindoleacetylglycine	284297.2851	175342.5989	193258.158	188536.0021	242517.0436	156600.8705	203167.3508	249371.0612	219574.3329	274854.8327	176483.7697	253721.7122	365776.6013	309281.6411	303302.0303	314752.1145	156365.0955	189646.9378	215527.4805	267243.5048	288861.9197	252739.1239	220887.4175	317470.3629	199678.4383	178383.9156	177715.496	241153.4787	237305.2936	213520.3233	245393.9375	253796.4017	284219.7618	202707.1714	241684.2439	151771.1645
4,4'-Sulfonyldiphenol	126086.5092	123833.4102	109533.4138	117351.7629	146440.2303	174246.209	144957.5444	151164.1372	148513.4792	127760.4697	122758.9572	128150.6835	121072.365	145612.7074	144488.687	121781.1818	173524.2838	221730.5658	181127.3182	163814.2245	121310.5027	136389.5803	122289.9272	92866.48319	118926.8205	145161.0255	156236.1194	134732.6503	156669.5197	182744.4068	181457.1452	140042.8269	176608.7686	181582.7118	178149.1616	148897.7172
Muramic acid	84459.97831	84283.17728	90459.66317	79534.8713	37481.52112	38588.41954	37075.45907	41526.57853	22945.43623	27051.8057	40708.54191	42114.08929	18390.04581	16182.3777	41408.29239	19533.0318	35125.15679	28272.2806	38457.31737	35911.15837	47510.81884	52873.82229	51364.92653	47800.44847	52719.9673	52184.89703	45830.90457	62898.32078	47697.22895	53940.32512	59682.99018	54071.27543	153898.2822	140935.0893	125938.3239	148853.8184
Deoxyadenosine	198242.9479	188257.1625	292772.1621	207293.4293	221230.8424	269367.3305	278895.9648	279624.9179	143231.598	108495.2582	60292.33639	116193.3989	0	43497.92689	31644.21084	0	158304.7047	147788.8931	102550.2132	170305.9055	241923.2419	273062.1055	170171.5972	163864.2488	334038.4154	289374.7928	235925.0154	275457.875	152406.7233	108836.9049	116395.2583	104921.5417	280521.5931	186230.2089	217399.2937	196213.2468
3-beta-D-Galactosyl-sn-glycerol	42377.30429	48296.99011	39012.83707	35648.01977	41318.07585	28842.06835	44420.67745	29860.44609	48538.85439	48125.5466	49528.2014	53712.93778	48269.85141	42711.36824	50521.5926	42601.22791	66980.28888	64783.47247	59901.26871	78206.72856	46723.35665	35466.79586	41322.89546	35981.90584	32831.50127	42242.9706	42236.37787	41264.09811	67462.18606	56373.47527	67970.09051	70114.69572	49603.13894	45670.41896	41771.1737	41976.9054
FA(16:1)	1091475.149	1093049.556	963730.9467	1267489.899	1106382.499	1051606.798	1021861.303	916755.9541	1284170.913	1230525.021	1478388.288	1436965.493	1113084.776	1007142.73	1631901.78	1284245.129	2416575.692	2663436.379	2529369.557	2391627.042	1288626.793	1022496.339	1089170.839	1285352.164	1106534.169	1137011.164	1208790.184	1145909.38	1616774.489	1589712.204	1952627.055	1585597.282	1290106.63	1025813.122	1181637.297	1041650.824
CoA	1916060.85	2290388.137	2069177.934	1617098.319	1568655.669	1576099.711	1677614.682	1462454.906	689246.4975	539974.294	768899.6055	646766.2959	944424.3632	1011192.867	599446.2833	895892.9539	680212.9015	713589.7624	603313.8496	617719.4112	1078987.305	1821846.28	1475075.699	1551295.051	1964237.805	2135845.681	1959701.384	2058229.021	767272.6598	655758.3549	772187.1614	856640.8669	1347282.693	1913381.904	1566145.02	1531767.681
Hexadecanoic acid	23913942.77	27900784.58	24196293.63	25528171.12	35102297.51	35074193.34	45315830.91	37303982.5	35143486.2	31579977.98	35021802.02	35437486.32	41580415.43	40356530.73	39577004.79	38346844.4	42028432.44	47550607.89	44347250.97	39783336.81	49009626.97	45656271.9	47423986.9	46430997.18	42449534.57	44829254.48	43112290.78	44831237.92	43371546.59	42157307.6	43371619.39	42234705.95	25725319.59	27126443.96	27807671.21	28014426.75
sn-glycero-3-Phosphocholine	31613667.69	30948125.43	31733179.47	31498503.71	30867983.28	29069369.13	29974322.04	34532547.23	29003399.02	26588069.05	27530264.54	29388313.13	26984702.86	25122625.79	24379309.15	25305723.01	33404197.76	31555479.48	31135552.72	32879285.25	32538682.48	30229366.87	31794901.68	30033520.79	33037173.56	33306965.75	33102699.34	33773973.07	33271545.99	31666620.11	31077401.47	35673006.13	32603690.59	28983259.67	27674906.39	30588460.47
2-Hexenoylcarnitine	366496.5406	408270.2473	306924.4577	333241.4217	0	0	63957.11184	46301.49104	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
N-Lauroylglycine	114904.2641	113327.9008	80348.37511	85093.94031	27188.31604	21572.74132	24840.02415	21197.83797	0	0	0	24058.03893	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	65673.43697	39172.4949	24541.11053	51299.04032
D-Glucono-1,5-lactone 6-phosphate	426981.4198	415212.5143	402115.3069	381271.7045	450940.7952	386677.9755	408328.2419	393550.296	62770.80967	78174.36679	54640.27753	55453.92899	118824.9161	122875.6826	107892.1333	104226.8515	134382.7951	103723.5689	98176.14093	112661.4792	576145.8465	564738.3058	505081.2631	460559.8839	507043.2134	504981.2386	470922.7126	479710.2548	231877.2624	164684.5151	167043.9796	185686.3964	328483.1183	359326.7244	295734.4673	306983.843
glycerophosphoserine	1256512.191	1180487.422	1154833.406	1122177.872	1072180.802	959185.7452	977799.1057	1097216.677	1088548.69	986939.9596	950565.554	1008365.183	788684.0794	865445.098	759848.5739	735585.1276	1403985.639	1230914.754	1192155.745	1385480.411	1182170.586	1020011.71	1081739.414	956389.4876	1193881.877	1219437.799	1135556.352	1192442.077	1478814.646	1363060.791	1250133.345	1455507.36	1197270.731	1167878.557	1059727.016	1160019.684
D-Glucose 6-phosphate	19529624.41	18318463.19	17957972.73	17901975.45	19612714.17	17280766.4	17802848.3	18724879.7	8997136.747	8740304.675	8634546.602	8582262.673	12198525.67	12189124.07	10909647.72	10793495.87	7080721.259	5956397.952	5938579.832	6793099.553	13123352.47	11767253.46	12356995.61	11354814.17	20067872.37	19466499.3	18129396.65	19287177.21	7288011.246	6965792.366	6637662.256	7804639.305	19654563.27	18187277.42	16254939.43	17264099.75
D-Fructose 6-phosphate	6327003.846	6081712.591	5444173.884	5563979.127	6434745.994	5631403.174	5277811.449	5651039.443	4318110.813	3713334.925	3451146.146	3492477.137	4730466.041	4566662.748	4274237.095	3797293.21	3538433.682	2951959.964	2679146.966	3158568.224	4072021.146	3580063.567	3674373.246	3215144.097	6148678.759	6199636.857	5569362.247	5560673.766	3416590.385	3204979.123	2842737.678	3377328.963	6577750.277	6201120.526	5509496.816	5649316.332
Thiamin	286411.2235	276604.9054	251252.1913	272130.3656	311474.2494	330099.9268	325920.7398	297680.5927	284459.6653	212376.7716	254915.269	289242.098	290033.3137	246983.709	273034.4383	294927.0022	410686.1271	437068.3706	377559.3631	444295.3726	275751.5825	281311.6829	283633.5474	217132.8491	288876.8823	273208.8352	256684.8192	246217.3728	353130.8476	418725.2678	338472.8291	323482.9083	384949.6076	333120.2783	343681.7556	380196.1886
p-aminobenzoyl glutamate	65588.59204	65127.32136	63594.56242	64218.34851	63447.55231	78908.16779	68450.2622	88553.63794	86289.08093	89228.19992	82023.46419	91242.72016	66144.49859	71392.82925	73219.79128	71872.1035	123935.0755	97032.05521	120499.0443	130411.0393	57048.86488	48109.07271	60725.76029	46822.8862	64816.01001	61929.95835	58215.89173	86745.26359	114779.4178	116234.5994	115042.4237	128503.1682	50056.66565	57694.03234	52748.2002	62277.07933
sodium dodecyl sulfate	281544.3099	3900629.743	330698.3872	540763.0321	1156141.547	1174748.267	1314712.023	1045758.412	689878.4323	550477.2228	463858.7967	486723.1543	783455.8921	833558.0131	869073.5619	946616.6959	498510.0794	457373.507	421935.7988	695250.935	1618479.891	1623593.617	1496702.769	1454097.718	627610.4804	814877.2484	623718.7438	637179.0717	1153202.781	1057161.22	1234573.551	1167341.911	696406.3194	751108.9543	880549.4163	610612.8739
Tributyl phosphate	2206419.623	3983434.386	1185246.561	4725612.568	3329381.706	3530110.602	1958603.065	1868620.612	6599643.951	4164861.948	4086159.764	6440211.112	9320596.752	3872755.118	3649778.88	1077235.829	3154477.438	1489685.832	3047159.487	5634354.656	5953213.762	2992863.532	2200981.472	4234872.055	6181862.927	1975040.767	4328595.221	2586733.326	4898121.087	3131932.164	2181137.286	6040541.292	819802.4771	1574825.923	2369602.958	2097088.059
[FA (17:1)] 7-heptadecynoic acid	47802.45437	52273.81474	36575.81073	0	0	55899.78061	0	0	44423.16154	59405.48495	50890.54446	55906.60669	57739.68685	0	63953.20465	0	159954.2859	222659.0649	216819.8724	181576.4491	0	0	49063.70613	0	0	0	0	60035.27572	109514.9875	126825.854	102332.3128	82257.14847	36452.50766	48444.10433	51408.18147	63584.50481
[FA (18:2)] 3Z,13Z-octadecadien-1-ol	77744.806	93080.32903	74410.80415	37408.92577	93148.10733	92695.83049	89141.59788	84401.62865	86976.49699	89142.8772	95827.42095	94707.25014	113993.8196	112410.9481	85659.74063	121993.8935	109749.4423	119540.1343	116022.2152	114716.9227	79554.62862	37123.96321	49147.08527	45204.51395	98080.24755	84618.19375	89836.09016	97368.19532	118043.3343	116115.9958	116097.6793	116745.9571	84366.07659	96544.14919	85834.0731	84821.35363
Adenosine	228396.7713	227612.3344	215053.3914	219418.0977	334767.8265	304175.4141	286985.0911	287464.24	491127.3306	421470.9024	486381.5086	486736.8879	344488.8182	357568.8724	359208.9643	321098.596	1310982.992	1255351.915	1150614.826	1282809.596	216957.4501	202596.173	229528.6084	218572.3838	241034.9222	273489.8996	315090.2026	232800.174	574661.0642	583749.3367	565378.9577	619652.3443	331423.2225	343990.2398	339996.131	374010.355
FA methyl(16:1)	282478.7994	225571.2636	207632.0956	296592.1794	231618.6133	254936.3822	286763.9086	216881.5734	319592.074	327750.0897	357373.7262	306974.7036	239305.1075	241387.3459	378214.8369	310231.5072	515215.8547	568334.0068	657122.351	520943.2162	289731.1426	314016.752	316510.3385	281869.2389	245778.5832	264363.579	239001.9498	291517.4656	400504.6993	386112.2591	435446.5121	322919.5719	238831.851	249168.6041	279991.9455	271986.0386
Octadecanal	151901.236	175667.3412	155533.4042	191732.4995	191984.7973	202526.6185	213555.4129	199777.7491	189683.6112	209446.4185	191833.6267	226913.6601	207868.1565	218093.378	205666.5593	192926.4698	232720.8116	220316.9318	229693.2567	201963.9894	162251.1127	191020.5398	178437.3731	169170.5057	183287.5145	186977.0518	185056.9185	172857.8513	182289.2232	220560.5306	213223.3279	175113.5544	179529.849	178830.8947	181052.038	169796.0852
FA oxo(16:0)	206528.4977	284719.1661	185172.093	228021.5388	265143.4861	268764.7547	311309.939	269473.672	264806.6751	259818.3722	265386.1775	303442.9859	306260.6174	323028.5947	347805.7467	302254.6112	232178.5205	295915.9929	274916.7904	255955.2572	326071.5454	300756.8394	338007.7002	309939.7362	328354.5809	261836.9658	342818.1192	249208.2441	281979.2377	277085.9852	301366.7011	251041.2627	213717.1404	219409.9523	194668.5337	186325.6471
FA (17:0)	786359.939	808688.1977	754649.0205	965464.3107	978162.8446	1085210.274	1149201.216	953879.758	965335.4054	799687.613	1069686.652	1032558.72	1017453.84	937447.1655	1073965.802	1097076.837	1353659.535	1433294.955	1424624.717	1243367.914	1231586.854	1173087.567	1229900.812	1181367.606	1070972.438	1117171.951	1278889.583	1126562.678	1218739.437	1120709.503	1144960.798	1019343.929	842833.1007	897473.3381	976900.8694	859426.7795
Tridecanoylglycine	579363.9576	540950.31	507661.3273	474691.7743	141857.5276	140324.746	138408.2865	122578.7508	91393.30242	81387.34705	68909.31292	87826.88871	132531.3254	76913.01309	74899.56979	75423.84636	58134.38605	68761.53218	57654.89601	48213.06031	0	0	0	0	0	0	0	0	63147.23869	23050.39165	52619.19954	58894.55187	217712.0012	185400.9962	170434.9923	169506.884
FA hydroxy(16:0)] hexadecanoic acid	225915.5063	245657.1318	227310.9395	219592.1084	211215.0698	242815.2943	280209.0852	216510.3928	246827.136	223502.952	198722.0931	228369.8228	246369.64	262773.8602	242139.8184	243361.4388	225196.5225	248741.0596	198748.3757	217503.7435	247947.4025	186347.4951	297638.0917	289049.1454	197019.9235	220420.3195	219168.8992	257616.2751	220875.4129	188078.4746	243467.5464	217369.0562	247849.5385	181297.4721	228919.491	212206.9416
Val-Arg	334658.3644	295887.2988	341287.6373	281690.2458	276857.578	253662.8554	301013.7813	268940.2549	434779.7978	429859.1329	433497.1258	505076.5647	336139.5091	348351.0407	308963.446	341796.2621	677981.0433	625538.8437	615996.7718	806885.3967	250275.5468	224890.5354	262686.0997	233070.6884	310128.5398	311053.8446	302701.8594	315468.3981	506038.6632	545636.0546	501694.3002	583631.1665	255370.7505	252030.2468	230288.5212	267398.8464
Hexadecasphinganine	65653.87332	95402.59514	95908.38334	88330.63739	133424.3351	158028.8935	159501.4786	145546.0911	64698.51829	18743.36139	49114.46019	55611.71087	55605.45488	53294.96639	65192.73761	30560.04162	31695.02889	50615.21658	54554.45985	92180.31919	85605.35065	99394.73789	61727.44657	72535.40471	64285.88758	67297.17656	41620.67411	54881.6285	83116.22422	32747.79548	69357.3491	27541.30312	111878.3137	126490.4555	110381.0456	113518.7749
6-Phospho-D-gluconate	1575215.186	1324775.581	1317036.658	1256130.355	1563906.903	1363034.782	1429851.393	1521120.813	250522.2938	243655.7351	236708.805	211698.758	401467.322	431633.0682	388846.8898	345149.3461	493188.9758	403642.9065	401713.9023	469966.5094	2169418.716	1947865.5	1922519.885	1676916.535	1794499.048	1732145.235	1576256.124	1552761.326	746044.2899	658188.465	598762.8139	704388.5295	1291034.36	1222809.33	1121498.632	1030500.872
Glu-Glu	921709.4039	923937.8096	910320.2227	872708.0403	819936.4325	833065.8832	899379.4966	910759.1841	675528.2331	687519.097	658518.1377	670389.2147	525339.1012	570532.3579	510242.627	487445.5605	912075.2328	741858.3338	766555.7564	928121.4201	788403.5873	766098.4248	846690.5357	761798.3662	967905.1932	1040622.256	1063353.322	992530.7491	834298.5354	834149.2808	762519.6614	913848.6384	714863.6284	893752.7467	824788.0185	852824.7717
[FA (18:3)] 6Z,9Z,12Z-octadecatrienoic acid	110890.2454	106425.0911	111284.9484	104163.4285	121041.074	126671.7816	240124.1379	114781.7123	208257.8021	182595.156	185552.5534	170206.4991	279156.7342	320894.3933	267666.0193	329561.4179	397770.7155	512442.3258	473629.2557	385667.16	252872.7047	282763.3977	242066.9852	272686.3711	218743.0734	214863.2811	207539.439	206717.4303	349671.3086	371868.4015	389866.1285	357283.7536	122560.0695	123550.5216	179184.5123	129852.9714
[FA (18:1)] 9Z-octadecenamide	446377.6358	541705.3203	492902.7888	452638.4607	808051.5792	654351.1746	846604.6537	547956.5242	728934.2632	631547.6122	675171.8017	779695.5206	981494.6563	949823.3844	878944.0109	895804.6632	378949.0049	496390.4172	422473.6443	455950.8154	1090198.854	797766.0752	747225.1395	645166.1289	621086.5839	564321.1447	647980.2127	530631.8971	459058.9857	589822.1327	415823.1458	532511.0452	632652.1776	630682.7852	559184.9419	531424.0843
FA (18:1)	102564.0635	183983.2358	194406.3825	192667.5823	184077.3557	181339.051	189536.0551	179259.5588	263349.8735	215412.3861	212631.6172	214029.8714	319344.3866	275664.1172	282334.3821	282494.0813	168131.2545	183010.0458	178274.7111	162470.1859	243752.0939	234957.7257	235665.3511	248501.0549	230810.1486	223634.441	202084.8312	249843.9427	187637.5633	184231.3551	149330.0992	165110.5063	193596.629	168771.7953	161189.3168	176989.9597
[FA (18:1)] 9Z-octadecenoic acid	3705000.994	4111675.64	3649144.726	4208934.76	3370718.789	3750581.673	4604771.874	3663924.157	4823221.748	4457633.442	5169835.138	5172515.757	5578073.107	5486697.553	6013895.877	5514979.584	7676002.49	8491676.352	8312714.786	7495030.597	4626987.825	4694098.789	4692895.608	4735817.986	4328064.009	4943879.704	4760352.663	4889998.662	6454254.45	6001398.647	6634840.312	6337860.632	3726246.388	3811919.942	3933732.983	3961780.067
N2-Acetyl-L-aminoadipyl-delta-phosphate	191783.8261	171707.7518	212794.096	181140.5004	193336.0315	160262.0087	207517.2688	206217.1022	175343.5344	185458.4727	194342.209	235745.2684	150897.5845	185863.0731	160225.8768	148601.6969	253262.0176	232960.6613	237121.0836	292357.1149	148137.6063	167958.9043	146254.8757	156548.2075	187651.8607	225764.1513	165929.1155	208357.3808	213811.3738	287035.1087	268515.0229	257912.2598	193643.6899	199978.0614	219776.1077	214974.1966
Octadecanamide	483158.1279	631988.9005	519514.6656	565665.7545	784174.7259	703380.1896	844827.2315	746088.7913	724531.644	773783.8284	986129.5714	876807.7509	920009.4788	1164974.976	1034199.48	1111099.818	437985.5546	725622.6337	828553.5913	432824.2096	335733.9506	335651.3151	460712.7622	448056.8766	554545.6378	648765.1067	648174.1676	698540.7388	504055.7751	517791.4385	564683.6081	271063.0503	207692.9156	308814.1727	301986.2564	302346.373
Octadecanoic acid	19748107.65	22518468.53	20222877.64	20727907.41	31509505.16	30888536.96	42173172.91	31733328.14	27119831.03	25563166.88	27147220.01	28324251.85	37071084.48	36234178.15	37010593.23	35349944.69	29949935.47	31684188.02	31963232.84	29728827.98	43297213.67	41259844.47	42455515.51	41122455.36	31870572.99	34354359.37	34483053.3	35111374.42	34267313.16	31743575.16	33745390.37	33648997.07	20277124.76	20460796.11	22177217.79	20908119
FA dimethyl(16:0)	1344071.428	1478177.615	1361261.377	1393820.941	1482309.592	1443212.998	1484447.802	1449626.163	1488096.657	1496762.911	1471581.032	1531795.188	2130016.985	2020064.953	1984325.834	2231319.982	1212258.012	1180798.813	1087418.923	1178201.18	1865942.775	1732085.481	1788369.042	1781349.514	1617844.131	1570768.956	1532359.027	1731460.782	1284947.171	1277442.561	1147484.329	1394041.922	1299746.145	1361195.106	1205570.623	1357043.683
Ile-Arg	14590.66705	14228.90686	12002.35155	13163.39149	16424.1503	15407.05303	15700.50101	16831.245	44962.48358	45116.35159	35310.68193	40217.8856	20811.66751	20685.35205	17944.49096	20182.2153	122621.3916	101922.4592	86022.64168	102832.8797	0	14164.04427	16688.85483	0	18612.04241	17428.66399	26996.39347	14915.57954	55745.46399	40647.01984	44414.24542	50815.62608	31681.63117	16412.1873	18352.16021	16455.68359
D-Sedoheptulose 7-phosphate	274320.6071	243068.2626	241126.3174	236573.0509	244999.6708	218178.7525	208470.9507	229566.0202	315726.0171	273898.8294	259054.6703	285423.1777	312875.353	337922.4832	283526.714	254362.5801	283718.5002	260758.8203	237254.9686	292518.2442	194929.2546	170826.2137	187432.9351	168368.2499	250332.8445	252577.0548	213732.9233	225052.0875	294766.9385	287766.9186	215096.5823	294751.6573	265573.8157	271407.9594	239243.4375	220179.6726
12-OPDA	110343.2336	111809.4294	96208.31067	118704.0452	103141.7627	84976.07644	126248.1781	116790.0503	118574.6427	92440.03467	114143.2775	115164.6519	196601.269	166821.6657	142062.5203	161148.8011	114635.5038	90773.64558	111739.3389	122632.6898	130636.5488	151267.9313	143344.2045	137338.6093	100042.1285	115223.15	136684.6548	138649.5726	108321.8246	77302.30204	89543.43169	113921.6587	98114.86445	83819.94564	105071.114	103093.2994
Embelin	583394.641	620578.3343	568935.2594	607562.6315	636892.7938	581237.2249	576473.6853	600739.2396	658657.7423	661691.6794	596433.5311	664190.242	874949.8199	901718.2613	870529.9216	902218.171	520023.7816	499195.9096	461290.7066	521961.5303	778630.8939	802358.584	693193.4925	698272.9991	692934.5953	657626.6928	649411.0807	672252.7868	545895.2157	530411.9643	474645.4916	583741.9743	537013.1979	612439.5981	522350.043	600193.7896
Phytuberin	1152829.546	860247.9096	889509.9674	1091184.79	1660916.127	1442494.027	1697153.056	1021788.541	960876.6916	1050704.54	951015.3065	1253660.682	1010458.762	1246437.445	1192334.703	1170380.138	669809.8883	784478.034	953964.5853	1179182.92	1633103.063	1261598.609	1551583.473	1383764.096	1141581.379	989472.3909	1078894.394	1280629.199	722935.4811	1058318.118	612690.9354	1077412.587	650896.158	1205120.438	1302341.274	1281214.527
2-Methylaminoadenosine	268088.8312	272154.6343	220244.0017	207910.5762	199368.6839	220089.0291	237169.3054	212079.4709	150472.8702	159107.386	180831.4496	153429.5026	149253.973	193860.7136	131258.6715	143233.3217	272491.4231	210706.9505	230636.9201	220767.8546	156890.9418	207356.9184	202452.753	175985.8974	237992.8132	256283.0161	286898.7796	251834.7186	248737.1194	250309.368	225288.2638	276915.5078	177318.9194	168614.2378	187566.0166	178189.3365
[FA (18:1)] 9R,10S-epoxy-12Z-octadecenoic acid	63723.46476	142073.1643	115946.4451	177674.6547	154040.2985	157645.7919	191647.6885	175586.8735	132919.0345	134637.4952	164456.6805	163912.1878	201992.3235	189007.944	205037.3707	188589.6219	258951.5629	179954.7959	236479.5846	208868.6273	240395.1009	205970.0705	200361.2957	204862.9191	163652.0565	201150.7579	236780.9827	178881.662	205731.8933	198821.6731	188420.8005	228895.9401	131977.8728	117547.6702	112655.842	108391.4669
FA oxo(18:0)	339466.3787	390023.8578	406462.6561	347725.2787	399803.1262	413279.3635	519356.8731	475409.4955	397809.6592	377777.5312	492012.2741	460598.5044	485178.9662	526593.2032	568293.0279	664262.0939	479030.1084	480963.8839	456811.465	436751.301	521312.2972	558765.0532	574925.6973	577014.0252	514974.1998	554916.8789	489209.1789	444742.6548	492721.1158	476692.8786	580532.94	519709.1081	338711.4523	334879.1576	469184.7286	353654.4402
FA methyl(18:0)	146260.8011	179656.9219	144606.9359	198736.1256	208777.8481	214994.7453	214273.3149	218265.2228	214835.0728	180832.7453	226355.6972	236066.7298	210152.2648	294555.8834	185454.6831	196325.5658	290622.0846	245606.9244	266937.4755	222292.487	262027.0709	208189.215	244736.306	190629.83	207956.0354	174909.9371	204904.1415	239549.6293	233208.7768	263523.0061	269178.7023	212787.2324	246628.3436	186859.0459	172402.4464	167262.6405
[PC acety] 1-acetyl-sn-glycero-3-phosphocholine	123154.2494	214905.5113	130347.0853	171561.1852	167293.3948	138724.97	143646.9968	153467.3704	92721.83	99217.33181	110832.5245	93095.57825	83608.39797	108430.0659	141019.077	99768.38248	197186.1867	187374.9478	139633.9345	180928.7081	225536.4872	162391.9482	220015.611	148123.2116	241228.1952	188517.6614	156847.505	210300.2632	174607.8976	257402.3012	247599.5271	276944.5216	75661.44827	76933.40567	154236.5131	119612.9153
FA hydroxy(18:0)	288525.2181	266821.1252	272605.617	283001.528	326990.7906	299312.1136	312777.6191	315283.6746	303571.3348	287905.0301	276857.4587	281407.0891	367913.8484	406171.1283	428177.7796	388557.7758	286049.9101	266500.9609	313785.1138	256549.2701	323863.7958	293704.3612	290425.9574	256299.4518	263023.6878	306550.5149	318385.8173	296946.9058	336835.6881	283950.0462	296741.0379	304687.4949	200594.1232	238257.9394	237141.0503	206839.5537
N-Acetyl-D-glucosamine 6-phosphate	730396.6742	699947.6776	632181.3687	698413.653	689702.4784	630512.9446	672209.0647	661539.8476	706243.3635	713367.5642	760411.4899	755540.8698	565895.0559	609591.5101	641948.9106	664392.6441	857286.2504	849590.8397	902391.9685	1031913.758	537195.2393	543180.5048	569167.3143	516382.0331	674854.7389	691400.5346	699641.6768	687432.2203	906446.1709	911237.12	900623.0849	1016290.22	753937.6675	716828.9173	701419.381	709011.3158
(Ac)2-L-Lys-D-Ala	116990.7981	162612.7955	139282.5121	123425.6245	134290.95	148032.2572	156831.1339	175586.3716	116514.4707	124912.3014	137722.0859	125454.4288	119236.874	136584.6444	116755.8519	96929.02226	145557.1894	175068.569	176010.2391	195213.1306	95886.56992	120572.1283	143763.3346	152136.3529	154903.7323	153986.1292	165741.3152	150587.8513	140350.8009	159751.1446	155920.739	165130.9229	140397.9776	182005.1828	125721.3469	156942.9921
[SP amino(18:0/2:0)] 2S-aminooctadecane-1,3R-diol	162093.733	205879.7462	148536.5411	258306.1036	348208.1221	404583.6883	274379.7469	333430.9292	122528.5578	164289.7035	325459.0803	162454.6729	114967.0576	309468.6424	375500.1766	249760.0325	42763.96773	146764.3098	105077.2457	52592.73086	149462.9488	214203.0399	350259.8317	245603.6091	203260.6966	210140.0936	348766.2429	298683.4778	82840.94202	121226.823	172082.0997	43896.77459	136423.5313	207264.802	268189.3939	280771.8346
PIPES	238858.7013	195416.1563	220382.897	212401.7886	208014.9255	182298.1366	194018.5553	202787.3772	257626.0193	225534.2021	231893.9445	244339.9203	255174.7254	248688.3188	264264.8255	245125.8866	227440.5891	196690.7415	185651.9282	227463.742	253163.7871	246567.6533	257957.2836	230254.0664	233469.4443	217994.8662	200153.4679	212604.4564	218546.1953	195588.5391	209982.8003	264057.1224	228528.629	228902.7894	211016.6546	224374.6487
[PR] Abietic acid	159736.2831	177391.2509	150222.2925	203018.0631	68886.63828	144122.5663	59312.20489	107813.739	133218.9538	65708.39746	177256.6142	111961.6229	244201.7231	83548.48688	62206.09025	82696.32181	213774.8997	255912.2186	289890.5518	274272.7858	138419.4598	143369.6527	144504.03	140937.4872	144834.0612	151960.1476	179936.295	178001.0012	142257.5532	110843.7917	143283.1026	136187.074	161908.7594	118299.9722	155738.2677	173727.6564
FA (20:4)	2537634.92	2878618.932	2563898.903	2474764.064	1804854.087	1813589.222	2036952.856	1965204.971	1995275.819	1863344.323	2066945.206	2260669.578	1595546.006	1543460.202	1520135.562	1715473.487	5290471.523	6164915.313	6171392.28	5386908.683	2409862.695	2011811.976	2383385.328	2040015.09	2422305.565	2784224.619	2630891.188	2726263.15	2426761.264	2412962.234	2452230.035	2418058.931	2294263.883	2455922.803	2536845.509	2636443.337
Glutathione	418527.5781	407769.244	413334.8113	376478.3993	561960.5928	522990.4544	546214.0129	566954.5273	396540.2037	368387.7272	324834.3464	381856.8741	216177.5013	250074.515	218470.5699	229655.75	949317.8887	829500.1268	845993.1751	1022360.258	336584.5042	292974.0605	286277.0713	292954.4337	447195.7756	407217.8949	394232.1763	424066.4279	839008.5957	755723.6744	775925.6062	912464.6369	760882.7872	674073.6258	633041.559	637876.1889
Stealthin C	449006.6834	483554.7225	396560.8802	483697.8386	522887.5259	502846.3815	467534.033	429493.5437	457818.5838	462132.0888	428065.1526	411703.1975	512364.2627	529395.5559	509798.0553	428853.8235	452053.5441	406125.7365	365933.3013	397907.8352	618101.8362	514025.0999	454315.3472	449109.7292	489787.801	530360.3344	470594.6386	490459.9028	451135.2445	433652.3651	372839.6352	437169.3616	469709.1417	475688.6416	456524.8945	422925.7556
Icosadienoic acid	128616.3557	117338.4238	98368.5295	114264.7409	110901.7971	68438.92533	69088.53498	66251.36251	133988.5536	137125.503	173205.4906	136686.0136	124919.7698	153428.4503	145674.4985	74462.59285	200997.8746	223541.5704	244962.564	232294.1872	75918.70396	65103.81592	85315.40444	70406.89785	147280.2178	125175.0341	63236.4643	137075.2434	184080.6199	165731.3811	176212.6051	169506.2241	124928.5684	99871.97388	103259.1398	115160.4995
[FA (20:1)] 11Z-eicosenoic acid	198481.4129	210022.3431	174171.9183	191558.2521	170780.3029	214763.5174	224494.2104	177356.0012	231104.5281	250830.2863	264812.0961	295845.7148	236970.2557	304827.3999	225610.8128	250328.226	377690.3873	354381.1443	381704.9919	385468.0921	202619.2419	162697.4314	220165.2604	179564.6105	218067.3285	253583.1191	217095.1547	231330.2281	334073.5149	288119.9667	323762.4335	311439.966	209164.647	192433.3601	221483.3422	187684.2818
FA (20:0)	452819.0315	362184.0126	338017.6409	347684.7657	495617.108	540576.3316	653193.8696	519459.8065	451589.5245	467336.9832	473037.104	490698.4329	583333.7767	586180.8694	542707.9906	598511.3046	550307.5311	558438.7058	594415.8719	590303.3161	739429.7953	630392.5036	750981.0109	687623.3037	501643.5332	637970.5951	559613.0103	632060.3566	669014.4933	569663.9635	659716.8895	603831.3929	423293.6587	418380.8665	442372.1287	436871.6437
Margaroyl-EA	2646514.427	2536254.762	2614388.645	2473785.963	2077757.571	2128151.045	2221564.276	2068637.307	1298215.105	1541415.868	1648064.336	1299155.236	2591972.146	3474267.308	3043396.933	4082384.901	559091.1588	1131800.412	1430598.662	1813964.385	1896142.427	3068061.306	3436419.414	3653421.354	2187372.072	2417529.75	2575773.783	2237543.251	1052159.808	1143173.016	1323840.678	318911.8468	336211.86	829672.2653	706494.2602	834098.0304
1-O-Hexadecyl-sn-glycerol	112363.9591	112797.1567	107761.4669	115113.1733	143478.2532	153268.9845	169850.1357	162702.4168	171683.6646	150528.4325	154485.259	184394.8704	193970.6202	179392.7671	142855.1679	186663.5836	196819.8146	174053.0931	165767.2313	202328.5878	125384.1947	106920.049	133321.8396	97732.94725	130953.8745	135387.3639	130979.6619	115753.6036	200083.1782	170500.6475	160452.878	197315.2107	153965.2065	142931.2484	168664.7445	133726.5586
3-Deoxy-D-manno-octulosonate 8-phosphate	19966.1041	15549.90459	10189.36195	18573.02038	18406.13019	13798.9272	0	14085.75223	19376.23054	11054.65321	13167.74372	8847.600397	14219.38641	16820.33297	13533.12977	0	19446.68537	15431.39369	11799.38927	13042.65619	14745.22232	15342.42349	0	9997.944926	9839.635236	10170.49384	0	10411.69834	10743.48029	8024.530826	10186.00376	9826.022424	11293.14779	12384.10329	12548.45036	0
Ile-Gly-Met	28563.8029	19465.16102	27988.39612	14666.1094	38700.23441	24591.62649	31091.96739	35196.37984	32652.2706	45453.19237	34494.51472	34782.42877	20542.75111	21505.403	18087.25346	19119.22084	137377.0117	121746.5008	89373.19669	149669.7504	0	23399.11737	19179.19804	22539.49447	24036.71933	19881.06813	27649.21211	22693.02972	70502.58952	66142.03712	67494.12401	87518.26835	43451.02514	50859.27702	50610.27697	42641.55024
octulose 8-phosphate	683302.611	657362.4007	608386.9028	589884.5186	789767.9011	732881.9206	735171.3021	757827.0665	852227.5221	854124.0386	801979.4926	791171.5447	857821.2547	786214.211	748198.9966	723820.6796	1060684.112	987620.7918	919538.6324	1040416.948	617078.5552	553762.1611	537202.4886	512520.8815	747565.8021	652907.8324	635002.5214	665087.9082	966637.4417	940846.8822	858351.4123	1007338.381	911825.6806	810616.0252	709271.1458	737909.3799
CMP	42358.06712	35922.18114	32735.98707	35864.96577	41797.9416	33361.24116	35013.16992	34872.34067	64954.95551	62214.47703	56420.99937	68331.21906	48075.18551	47921.01458	46066.74942	40822.32798	131251.0523	120069.0943	109397.7832	153141.2147	43482.49988	32001.09559	38506.55582	32443.25857	38872.90254	33276.23378	32972.03744	33655.70884	117431.7185	116095.5241	98550.2144	117049.9397	47952.64966	52113.3068	47174.74487	41415.2876
UMP	132962.8464	141372.0296	119090.7929	110271.0229	135805.7878	154305.6172	139921.8037	153109.7274	507768.5965	473451.3943	449939.3198	473641.5363	244378.8067	229963.1994	239676.0878	217700.3455	2016351.644	1766615.39	1793349.64	2130248.339	134006.8638	134904.9798	136189.2004	111791.8135	115435.0765	118312.6182	99819.58333	116518.9154	1466250.546	1334538.979	1304159.242	1570437.254	220990.4661	202947.9972	196287.1101	201942.7327
Ajmaline	0	0	193792.0269	0	475486.2031	474516.6473	327673.517	430355.0477	406740.3567	394983.091	472780.8687	398545.2786	453520.1878	597486.0169	583659.4544	424020.5423	237487.8109	192874.9432	165472.6674	183148.4168	549372.0402	649006.7723	422293.555	484470.7879	0	231611.7798	390264.5918	163288.6	60646.02684	365913.7841	328891.4199	351026.7587	228080.7438	414264.9693	252159.9572	397980.4086
Margaroylglycine	249402.8092	327238.5347	168062.1587	212662.4078	298341.4297	308139.8104	348421.6378	307220.9528	341794.7921	315791.551	384549.6798	294378.7486	486932.3118	469036.9829	429135.5688	502368.9991	192944.2354	328041.1976	328642.0701	232622.4754	188614.8385	181818.0447	180691.206	144438.5903	223703.2626	292545.8877	304396.445	352620.3316	215692.4136	206720.9594	211758.904	138165.7819	51081.92885	128505.9911	128806.5657	118624.0239
Docosahexaenoicacid	421770.2191	505614.1118	473057.746	429476.179	328554.1372	389441.8944	480677.4787	383092.8186	630694.67	617791.1176	765744.4021	646185.8803	612266.8868	544709.1294	598466.6193	523460.4711	1061701.629	955428.5027	1069787.019	924025.1012	494117.4773	439649.6917	394654.8871	451724.374	495906.1913	630056.206	531373.236	589891.2259	762645.0195	709163.1635	736497.0961	765952.1407	554827.3198	496107.2141	613047.2953	560861.3511
[FA (22:5)] 7Z,10Z,13Z,16Z,19Z-docosapentaenoic acid	547562.9204	664561.9021	577447.377	550606.9761	430752.1306	422307.7831	459907.8814	501891.6872	629018.2192	728185.6429	703670.1708	620570.7243	618684.3228	568111.7085	580410.8491	561836.9464	1120501.984	1206868.094	1265133.979	1133746.226	450380.5215	493512.7868	452477.295	484960.5765	672836.2661	626946.8529	756880.9788	652928.0001	870337.1769	724982.1371	760102.2683	750070.2577	549685.1288	616757.9987	615908.0872	586748.1968
dAMP	0	0	0	0	0	0	0	0	35007.80312	70318.6779	36570.37567	48170.88812	0	0	0	0	124794.8232	124242.387	98979.05548	98531.59519	0	0	0	0	0	0	0	0	108753.5659	86236.79597	76039.97572	90696.03704	0	0	0	23306.70837
[FA (22:4)] 7Z,10Z,13Z,16Z-docosatetraenoic acid	414326.7753	507752.9461	420562.3565	422177.0591	422002.3431	340905.691	347161.1115	434021.9107	500936.359	524739.8904	610581.0317	546233.178	503920.0968	533094.2315	460466.8442	420543.759	838458.6099	1015292.337	1044002.718	949724.5379	292163.7502	367213.8568	414520.0892	393797.3108	483551.6508	482539.7258	512752.2815	490111.077	652115.8799	664012.3422	664050.9879	615952.2318	504734.7123	404318.2916	381279.2139	404645.1847
sn-glycero-3-Phospho-1-inositol	18709246.18	17839631.39	16752701.94	16141053.86	17863324.84	15531779.9	14810845.07	15686919.18	18077892.46	15399656.62	14261411.83	15369666.26	17561969.92	16581032.56	15692336.31	13086552.84	21463634.35	18348803.18	16905900.36	19195025.18	19672897.51	16812685.71	16439168.12	14492091.55	18715830.69	18134125.79	17126610.53	17213849.74	20628247.37	18764288.71	17477177.89	20921661.3	18510795.15	16118021.15	14692815.7	14789649.03
Dihydroneopterin phosphate	60610.73964	30626.3419	0	17594.4036	58350.32581	0	0	0	86279.06933	66913.22513	20136.6498	23676.56461	0	0	0	0	98065.96406	54927.07761	21969.00424	43167.02329	0	0	0	0	0	25198.9334	0	0	151265.0103	89974.47922	40691.12895	49656.6312	79059.34966	89932.59718	56362.09602	21409.42791
Glu-Ser-Thr	325260.362	310380.9213	234266.5207	299194.8075	309183.1249	276688.8459	252201.401	265686.7773	359817.7912	317136.276	281626.3444	304935.1353	257825.2242	260595.3198	241939.35	215739.8222	471143.6794	417259.508	353330.7826	463127.8239	299841.371	273843.2216	249460.8686	235980.0832	339820.2374	294178.8195	260881.4843	255729.914	461155.7897	476786.052	407073.4533	460793.369	316896.4346	296252.0478	297222.4564	265297.4019
5beta-Pregnane-3alpha,17alpha,20alpha-triol	185300.8212	263565.0214	158814.3873	228875.9159	133802.9348	168955.9175	241394.1972	155339.6653	150751.5251	209133.8833	214107.3747	221014.3765	269524.906	365106.5599	335856.5759	400456.5072	60052.02579	235100.4227	183149.5975	139613.937	258828.2705	195863.6644	217222.5583	296294.2187	247903.118	323257.8371	237790.0523	247905.7836	284607.4659	127443.1097	118072.6458	92593.68972	71496.53465	115072.0505	125738.4911	124557.7378
[FA (22:1)] 13Z-docosenoic acid	120660.0096	145602.0128	81279.47126	101523.0858	151840.9074	123904.2211	132453.8137	109229.3969	139551.9563	150248.2213	112940.2072	119812.6869	137410.4604	172500.8709	184361.6102	126560.8015	129587.3092	222801.1085	105691.0753	116678.2678	185448.6725	167714.0447	148736.799	131685.695	114661.7581	118556.2598	170756.302	73013.15959	143934.7836	118436.0381	158655.826	123998.2475	210005.3534	157816.058	177485.6469	142928.2489
Docosanoic acid	140581.1608	139215.1255	170964.707	120307.633	201980.7801	175929.6602	211634.2911	187710.1538	193813.4865	148400.4879	174251.2699	201873.1197	218106.5272	180300.5808	174227.4203	146587.339	168826.7336	208382.6442	217508.9816	156785.4716	212182.5677	201319.1468	255431.0166	263949.0563	232923.9538	197624.1353	221780.2196	191153.6365	183919.8107	181155.277	204613.6739	153599.2629	146145.4001	150714.2173	166426.2303	145011.1527
Sucrose	106903.4624	91356.01592	74062.74945	89384.53024	82157.28497	81365.4451	75103.25951	72864.86199	77073.53695	89559.93106	69586.25855	101417.9556	87222.87073	66586.48912	70548.40266	70603.24212	109202.6515	92092.90721	91609.44956	104483.0354	93241.50769	79982.6061	87198.67866	121206.9262	92023.13455	84908.95212	96565.15733	76896.49971	110108.4894	120022.1927	111268.4456	119016.3441	109856.2967	103198.5131	85275.9011	86241.78867
1-O-Octadec-9-enyl glycerol	168899.4332	183236.5718	140877.8222	156521.0621	202472.6742	182607.0067	202161.4538	212077.7644	220265.6871	186241.0813	223746.8736	219643.8307	200763.0699	230323.8863	209995.56	189623.5353	213122.1272	210032.6372	224485.0457	212102.2599	146718.3846	180688.4211	155435.8375	166429.8785	182895.3148	179675.876	160015.6287	234454.2155	234635.4799	221100.4921	216061.3321	229651.547	194553.8658	200380.5227	192613.0782	191122.3629
1-O-Octadecyl-sn-glycerol	204542.3386	232074.6798	195190.4511	234001.97	254514.2107	282451.2951	256729.6164	265473.9898	258161.3404	228938.4192	266472.2049	274836.1985	291584.8446	265604.1077	307754.8801	270879.1194	247449.108	287505.2449	290945.085	262682.6133	224517.4142	215729.8473	213837.3488	203110.7689	238544.0199	274414.5284	216898.1606	283038.7437	261437.2927	283364.7967	249615.0274	305740.9581	264152.6743	265056.4704	256481.7564	260705.9976
dGMP	227892.6548	216975.1683	243523.5413	241387.8516	230662.9291	236086.2181	245475.5519	252120.348	368179.5936	327327.7109	393618.0554	371921.5026	262560.0708	262016.931	245109.8445	248478.7589	555796.9496	589820.1846	527541.8163	551217.0342	215846.3722	227123.9923	232405.5095	204050.1154	182871.7784	189518.1754	185493.0574	195707.8633	526977.1609	497328.0122	528277.2448	658197.5952	306637.2689	304969.0652	272972.6782	309354.0855
AMP	800130.4098	835912.5834	888781.4204	901458.6829	1081018.707	1165807.871	1202216.876	1148607.597	4010387.215	4239664.914	5098219.347	5128689.545	1662531.169	2087071.148	2187701.29	2607483.036	12347125.1	13661959.4	15369265.78	16833299.08	895523.2145	1063046.271	1123538.596	1097360.712	688156.2936	727633.7126	832246.7267	831636.7764	9146877.15	10239453.23	11320295.56	12462536.74	1332136.727	1434498.445	1517262.512	1849020.311
IMP	87402.00074	74361.42512	73512.56369	77663.48058	45578.52975	48900.08813	44624.00244	54948.63987	102916.5671	95436.15358	93238.39354	103651.5667	64784.62871	63007.81519	55394.6774	45850.83297	161679.3972	132417.5863	125534.962	168061.2968	57430.48209	46781.08762	47757.69696	59968.57401	67030.06338	57449.20839	63926.43981	66718.92862	102992.3057	102974.0323	112147.0594	132520.624	69551.36716	52422.11497	46863.20306	48288.12025
nonulose 9-phosphate	1600104.279	1481504.245	1446693.891	1397009.517	1505193.201	1329621.539	1329296.364	1362030.908	1502673.894	1391186.78	1434620.894	1362142.313	1442432.995	1387146.106	1251654.839	1224640.127	1922670.715	1741922.675	1663910.612	1922608.031	1607386.826	1513141.486	1472501.248	1325284.55	1631215.655	1617391.945	1521416.549	1596113.089	1965277.496	1822983.128	1802550.102	2059442.479	1483749.414	1408734.543	1366735.525	1314797.417
N-(11Z,14Z-eicosadienoyl)-ethanolamine	53814.11684	60661.68609	42349.3776	76196.57171	28119.39824	0	42627.05313	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	32634.64053	0	104429.7069	89798.68406	90272.98063	113182.7897
N-(11Z-eicosaenoyl)-ethanolamine	585062.1532	502674.863	481659.2206	496496.2466	0	0	196732.8819	0	0	0	0	0	0	171642.6902	0	0	0	0	0	105385.9821	0	0	0	0	0	0	0	0	0	0	134154.6731	0	798775.7781	675840.4583	554590.3873	670255.6241
Trypanothione disulfide	13894284.13	14439239.71	14235858.34	13456959.33	13568909.16	12462143.23	14364931.62	13434310.26	10314758.77	12015753.55	11211538.13	10625964.9	7867218.292	9204354.956	9511928.517	9330051.941	17178445.9	14770980.34	15506465.05	16670419.53	11378778.52	11585294.95	11926037.44	11179542.72	14181204.51	14919695.96	15721149.82	16174828.18	16602764.92	17235728.25	17422072.5	16486053.47	12906380.57	13330173.13	12405525.43	13110128.01
GMP	132291.9983	129988.7143	124903.7931	130189.9738	185135.9563	182666.1011	178961.5709	180074.5272	316868.6542	302059.5494	277651.5201	295402.3643	200507.7457	182896.3597	174687.6524	159957.2518	1087219.169	993213.1509	948647.1912	1064809.217	205578.2453	178413.5571	176780.6911	165171.9833	124754.7156	122921.7408	129161.5255	115688.2263	833589.6529	758705.9298	768507.2819	832658.301	249280.5984	217464.3747	199273.3437	184285.9239
[ST] (5Z,7E)-9,10-seco-5,7,10(19)-cholestatriene	399097.3719	346685.5459	395873.0925	430253.9157	536733.9251	347968.1909	380445.0288	383131.1943	497308.8367	454213.4179	355936.4244	462771.0509	548860.0865	645207.1106	499814.8286	475866.854	438831.9659	322916.2152	315063.671	359979.7607	641020.184	536251.7433	568793.1048	588432.2063	457190.2772	414766.359	411443.3687	435708.6707	454963.0698	376959.855	348836.9401	547278.1768	394162.2034	411024.2312	351262.7467	342809.5889
Tetracosanoic acid	159452.7228	166421.9699	151900.4015	191914.1811	275622.4926	182105.5395	227296.4196	234221.8761	218327.4571	201357.255	214283.828	218714.9825	192509.7361	201346.522	177157.2151	197875.7335	160742.3986	193676.6005	178441.8591	118467.3595	257486.5281	245501.3314	223729.4808	245951.379	181420.0211	200864.9077	223143.3714	189322.3009	157011.0797	197357.5576	195183.8136	190718.4817	167070.1184	179420.0542	190019.0006	188397.8988
[SP] Sphinganine-1-phosphate	106292.5609	99443.50579	78870.45716	55755.20256	72653.21099	63063.47751	103257.9676	68733.98373	47495.30261	37413.4348	37851.14792	57327.18832	0	0	0	0	68139.8547	81868.49548	93485.58915	62863.40709	64642.95638	75211.48721	83617.98646	74870.66007	107016.0114	94742.16907	80629.71476	45770.11656	56892.79137	97350.76936	50532.78456	123731.0608	68231.02559	42546.11397	34456.62228	53781.53146
Ibuprofenacylglucuronide	74564.45206	82454.73657	60374.99923	64443.92613	78352.20092	65439.93986	58849.85303	47914.30858	100805.0884	86507.22423	65886.44576	71555.83253	100484.8625	88087.28978	96439.26707	55514.28251	64583.06335	66860.16112	62718.63253	79266.11172	90920.14388	124007.032	112460.393	77853.4374	83912.1505	67417.46453	61102.41809	67495.1196	68498.58937	80318.31097	40160.67988	62912.66994	67808.00907	67463.47843	70156.03313	53872.37249
Succinyladenosine	0	0	0	12242.96592	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
(+)-Adlumine	115640.2881	95913.80876	80720.02973	28678.86091	58384.35806	39088.12023	10589.7401	0	94035.0114	69953.8035	37128.32212	43283.0005	49780.23831	24499.34935	0	0	93037.47556	55539.31111	47122.6885	57960.15993	85427.68035	81004.83407	44818.35297	38784.70425	60419.91241	50440.9928	0	0	109610.6017	91111.83866	67227.28611	69259.41277	147133.744	134853.5415	102105.2122	88874.29777
S-Adenosyl-L-homocysteine	386129.0568	348549.9802	329848.3982	392457.2527	348124.7175	420242.8337	383535.5173	434790.8024	374516.2609	362976.8363	349966.8874	371564.9711	249843.4851	300055.8079	281301.5033	276866.5687	631699.5666	573788.9103	614198.7727	701944.3797	314207.6015	309806.0364	345407.3008	295895.8349	359839.602	376960.4008	393871.359	367038.539	536956.4962	567115.7457	571907.5859	524111.2578	364082.7346	396934.0479	329461.1292	430487.8394
N-palmitoyl methionine	768935.0096	774469.2413	649698.2171	727564.9697	793389.5184	681732.8974	750399.2852	826276.8961	678192.2779	761891.854	739634.6288	648720.0069	736558.4033	789084.4657	707291.4354	903077.0617	510976.9614	742477.5463	606405.0093	520375.1926	810186.4181	768319.4822	763623.884	864423.3563	752102.212	857008.4056	852939.9138	834184.3573	565204.6406	614162.0519	635970.8904	464593.4378	521418.7435	599370.3662	598074.1381	574554.9003
Bis(2-ethylhexyl)phthalate	30918438.79	32630858.94	29335600.62	30132278.11	27941534.32	29645285.22	27507066.94	28220215.97	27113396.18	27374188.22	26903690.6	27587361.03	22769289.33	26415417.66	25029680.33	23997176.85	44127144.8	36317329.95	35764733.49	44179838.39	28476254.98	28391838.03	29773789.98	27958635.29	28469123.31	32662845.81	30198454.75	30676173.08	35769597.29	34037976.13	31863350.65	41841340.19	33384479.48	30483574.57	26620712.99	28859309.22
Ala-Met-Asp-Gly	75281.99793	78653.90852	61268.8045	60100.6694	72014.80983	60126.74571	42533.60508	20362.68862	101046.874	94099.41239	66291.64409	85361.21951	52509.61833	67941.82258	58051.82061	0	116497.246	90523.73968	74530.86507	102931.3684	79864.94985	77117.27052	32497.25185	51157.88074	66121.94584	72839.43693	25075.0467	22690.37093	133097.7491	119557.9434	94035.46476	129043.9865	113648.4035	142623.1621	126543.7798	101120.1547
[ST hydrox] 3alpha,7alpha-Dihydroxy-5beta-cholan-24-oic Acid	0	53799.53005	16079.5461	0	23847.65332	41507.07583	25395.12669	36892.01858	108991.0119	103241.3153	83306.65905	110467.6404	87563.58435	86583.55848	72176.77337	60493.83119	36763.77937	37805.61927	40397.05016	22602.31677	90728.15007	82888.05308	77919.48903	81620.07746	78683.05022	75007.15864	63458.89393	55569.31807	53423.47568	48848.16327	53025.66487	61741.52124	53675.39367	38525.94996	50121.72052	45460.4131
Phe-Asp-Asp	41066.51266	35501.13934	33010.78275	37574.85472	42798.98753	52290.90212	51284.78936	47626.64463	62985.17602	60414.71601	59632.37815	61661.7744	42960.89149	39488.40041	44997.59739	17313.89431	93198.75019	83594.73154	77380.14691	104587.5097	21115.99758	21898.51105	21262.47973	19148.93704	34590.60173	49660.176	40861.50861	40457.87924	50313.28308	77413.8574	68259.3465	91961.22586	40444.64607	45447.59557	36095.79326	37619.37537
S-Adenosyl-L-methionine	4863039.66	5265377.305	4229098.698	4093239.433	5026005.908	3602290.781	3290489.488	3169465.548	5116898.672	5040283.927	3876615.692	4356117.202	3727765.035	3703967.903	3332186.152	2881893.321	7350380.025	5806724.579	5771494.866	6216576.289	4717563.993	4178932.832	3959178.312	3331279.393	5309396.888	4971458.815	3629988.072	3788198.02	6410859.644	5860214.535	5215468.548	5856661.367	5362508.616	4833232.854	4705968.103	4199862.946
Tris(butoxyethyl)phosphate	0	0	0	0	2246368.314	2857350.821	2182785.651	1994180.095	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
nocardicin F	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
dTDP	50890.09806	50264.79391	61483.76429	56064.92454	59797.90783	51194.6247	55026.08306	53145.70749	98809.38224	86551.83643	114133.9077	113403.3158	69310.12525	66580.94927	74715.66049	66356.95084	193094.5398	187927.8062	193259.5637	210023.3798	60372.59862	60634.95429	67097.25358	59091.27929	39186.73102	58738.35159	40873.82933	48879.34786	171139.8087	163763.0174	168912.7177	216679.3225	88884.28132	78509.4304	72124.29308	91036.16705
CDP	84597.15475	69706.90511	71040.42488	77926.90506	84279.52165	81946.93229	78900.99985	73114.30435	92129.60167	104308.1548	87118.08663	77263.16945	85154.97648	76702.7845	71262.55698	61110.68263	109507.574	87059.22135	87181.90661	91555.70119	110164.3787	100503.5102	103982.1805	86287.61334	67043.79943	61718.43378	60130.93688	53846.37657	132572.0459	121227.5314	112734.7729	123711.3446	104384.0892	88887.05154	86431.38669	81586.36834
UDP	1108461.778	1019112.849	930458.0533	878688.4716	1231352.095	1077698.906	1054691.209	1084975.673	1769988.182	1784427.093	1589246.904	1547561.07	1259439.77	1260090.287	1145049.861	1115833.108	2632902.406	2238785.034	2217100.816	2409604.861	1342559.771	1294820.492	1117041.231	1058921.26	930407.4534	887836.4993	828832.2039	836712.7935	2963834.129	2510488.896	2468585.596	2770483.6	1688703.812	1513682.919	1365531.227	1350295.979
Glu-Glu-Lys	205092.6328	197883.3358	142930.486	226635.8994	217406.6272	162828.6291	290273.0378	159457.9309	188939.8568	166961.1865	118912.7023	269922.5605	358131.9252	250050.2901	460018.257	315146.8825	278328.4475	142395.4818	203911.5599	193787.9221	252437.2848	216651.3576	223220.7247	247661.5846	354793.5136	319186.2107	295745.5977	358386.0653	225055.6515	251128.3301	261798.3102	168389.9825	183012.3668	293658.5354	183107.8755	321336.8723
Glu-Glu-Glu	553936.364	463518.6263	420174.2806	390435.1149	496192.4799	421771.8702	411798.7245	412800.753	314349.8107	313742.6393	290154.7081	243481.3626	199816.6985	254824.7898	204889.1993	155594.8	578969.5696	386934.6711	448699.2045	520641.2474	386774.1498	372340.9525	366124.4882	282555.4505	525659.5488	568152.8067	537434.831	485969.1876	528340.2964	494654.5086	514720.8323	540822.0336	463396.6608	441495.8874	377779.8595	350668.2999
[PA(16:0/0:0)] 1-hexadecanoyl-2-sn-glycero-3-phosphate	290607.7528	268299.2073	274852.7368	229088.5322	192378.0638	184119.5202	170052.7667	140721.7892	205245.5902	167624.3989	147390.8309	178566.238	135888.9689	139722.7874	113707.2083	133004.6568	245723.7525	220113.6472	178156.07	218556.3653	263335.0764	193086.6818	179326.5899	173230.0416	274623.503	272514.5074	233844.3068	214288.5376	237619.1507	197885.1818	197632.5841	227675.501	315061.2573	257598.1908	223797.4056	243760.8945
dADP	43054.03883	28424.52398	49311.20004	82655.27123	45742.49934	42181.82123	33792.25512	101421.0722	82243.83498	87751.5128	59261.49705	75642.04635	45273.41212	51146.99799	56275.95724	73161.61832	111627.4044	110798.5865	133281.0725	115970.9561	49256.56873	59776.75443	42404.1809	48679.23474	33601.21192	26911.68576	50651.56994	24929.32267	95448.26753	97947.08704	132732.3824	140347.0896	41335.02417	99628.96981	52657.02902	53014.91568
Chitobiose	58973.71027	41985.80064	34807.34532	38129.59984	47684.85178	32141.27848	16764.76575	13234.93834	101250.8815	74878.57004	60886.73487	67097.1824	63117.59286	64146.75353	43587.27239	25214.34534	70215.13558	59370.70504	42088.71101	48993.31154	74053.91459	51149.06639	47954.04931	31071.55232	54667.30003	53005.41865	22867.41408	20048.08738	88283.125	83662.3274	64099.29952	67037.65381	68940.26458	60837.83097	57729.99797	35241.63689
Asp-Cys-Cys-Ser	58097.37864	59702.32939	59246.01127	67657.49187	60370.79142	69281.88745	91323.66601	67749.08507	63336.87486	52388.71491	57911.18323	60738.1101	67508.74116	98707.67154	86122.62109	76049.35754	45207.36184	46787.89701	39719.96096	60031.20033	87933.76137	111070.0106	111562.6692	84802.00547	65715.68211	62908.30921	69980.81879	74695.75296	50923.5626	47792.27444	43727.24413	64769.42565	68398.0215	72613.74497	60912.16636	81208.9678
dGDP	1506116.439	1272050.942	1306029.128	1199559.391	1502815.832	1253503.542	1267377.83	1296432.356	921061.073	752575.64	738848.0866	748470.0416	846669.7248	863824.0321	732619.4433	742651.2322	900650.0986	760151.7147	742826.1647	811399.7451	1314095.773	1102712.762	1059320.598	990921.3108	1542719.459	1501387.183	1286145.513	1280197.433	1004870.83	897583.1871	840832.4754	952495.9343	1364273.938	1283890.229	1146813.142	1167039.108
ADP	3490916.623	3440643.985	3453966.437	3322786.454	3695970.055	3593478.33	3606562.014	3566753.78	6036946.143	5863425.361	6166604.072	5987205.942	3866884.962	4056815.919	3995223.329	4146222.699	8554984.384	7624811.111	7658128.328	8550174.611	3649625.286	3535853.053	3798038.372	3499559.65	2702912.144	2737791.106	2828130.201	2739675.594	9253256.095	8777929.984	8578504.362	9952443.292	5260391.321	5138851.627	4849374.748	5107612.188
CMP-2-aminoethylphosphonate	56605.95648	51329.02938	47481.60216	54016.02527	58821.33951	64718.4006	60527.12431	62732.13718	46361.65387	59028.99583	53236.96144	49722.11509	42232.98411	33357.99815	42757.02747	46354.78085	78511.89889	86555.59198	66471.6963	83264.23906	35179.35339	43945.05085	46418.55054	35046.04927	51711.37904	46992.78215	48729.28967	65611.76167	70018.16519	61469.21436	83104.80814	73146.76497	97926.86367	64078.47408	57348.22277	60966.87212
Asn-Val-Asn-Ser	81902.39711	80097.73575	54792.6224	72166.8655	113071.6351	78732.54219	63674.72974	54962.06994	108705.3083	119476.14	83852.70375	81563.49302	105200.8252	112454.8659	92917.46528	58231.46363	90984.7107	64840.10845	56201.49417	75831.10609	108258.9846	112743.6642	105977.6314	90781.3384	86750.13983	71480.07732	68196.0976	70967.862	98500.72605	83807.09908	64131.60614	60677.34022	87960.78218	74889.35622	66070.42063	51217.52443
Ala-Leu-Met-Val	58709.33092	74609.26288	58795.98637	55005.06961	58397.53184	65639.7522	58593.95758	64097.28702	59486.95846	67996.43495	49620.59927	49859.01115	43190.59989	53885.17867	47146.71459	49638.8468	193296.5735	192614.3663	189378.8651	207825.4462	57717.94911	60038.57856	59897.28582	60167.2797	58627.99459	60913.07621	65344.60912	68923.16269	79138.71209	85869.7872	77627.51056	94696.68698	81184.1278	73465.69661	76344.14026	71017.8079
PA(18:2(9Z,12Z)/0:0)	491514.3007	454209.4471	398449.3963	404391.8584	445666.3083	390856.4381	346476.4668	389874.5418	412225.0557	365707.4412	360411.741	344175.3915	336227.1865	296349.8929	299335.303	277828.2215	994158.6663	850563.3009	844829.2665	857740.4533	449285.7241	397513.3542	415741.531	363874.4575	471249.5244	426593.6316	439513.5928	405169.4079	505713.5397	425488.1038	376976.4588	439030.7789	662920.7558	492821.7201	484798.7643	489628.8335
PA(18:1(9Z)/0:0)	220145.9004	202255.346	175501.1691	165453.5907	156473.1728	161744.2072	123456.7613	123639.0744	131730.7948	96590.41245	105339.6838	147516.245	97589.26959	94801.38934	83536.8675	86757.829	194239.2461	167653.4844	183645.2557	191834.5653	167010.7988	150015.6693	143467.4026	142784.6516	174783.7529	172152.7937	169892.714	166301.7334	150356.5622	143121.2843	125696.1737	172932.8198	241810.2127	172576.7441	177685.3484	167853.9229
[PE(16:1)] 1-(1Z-hexadecenyl)-sn-glycero-3-phosphoethanolamine	319587.6097	311686.4844	269574.0367	279815.2075	505845.9884	488214.7104	500901.7434	450402.0453	523313.3305	442818.1342	426371.732	446757.8445	475736.933	427224.9306	429260.5843	394420.8714	523907.3487	482110.9151	470461.0658	464449.6473	304927.4199	310086.3728	270436.8339	254772.9128	294278.6866	321673.9257	284257.297	306007.8438	621602.6363	536517.9116	491457.7262	529073.1522	640847.041	518739.4184	454783.9686	497372.1612
PE(16:2)	51940.80831	71270.59976	49974.25128	45073.35807	64876.24826	57019.12375	59556.46165	55369.86963	53763.80612	56188.34964	54577.18775	51636.36097	65665.27758	54561.43663	30680.22154	29741.17082	75310.16636	56213.54459	52718.45799	75287.08024	41595.10437	50358.35944	52730.30894	45555.34531	45750.37152	45004.94196	26800.21075	42893.71265	101937.8198	73449.03165	49223.46842	65869.49182	79547.51932	80847.03378	65904.94193	70255.58686
GDP	1796013.913	1585554.231	1522286.37	1447507.273	1933247.811	1722287.064	1757586.929	1745351.17	2144705.621	2059067.015	1893784.335	1717049.142	1764284.192	1871044.651	1622787.007	1499743.037	2862149.229	2371216.875	2347068.296	2515870.606	2021300.229	1739491.371	1764071.636	1480253	1713134.79	1631985.031	1544622.475	1531879.009	3154685.111	2716316.515	2485268.582	2699848.477	2166372.08	2140362.393	1890512.167	1769793.685
CDP-ethanolamine	774871.5017	708578.7997	614424.9808	623921.833	918161.9179	733130.6364	730461.9863	719098.1352	587324.7061	498442.441	481531.8646	492873.0228	498324.0751	498306.33	496379.637	450407.0704	864189.9046	717678.9656	664178.5624	777633.81	933137.5734	880136.9146	830533.71	745734.528	771375.0352	724327.6052	699049.366	670094.1475	892405.2198	839330.1533	792246.3883	897743.0511	893750.1066	803569.4645	725300.6064	689556.8236
Ala-Asp-Asp-Gln	19269.9971	20874.09879	0	0	0	0	0	0	52656.61236	38375.74531	0	0	0	0	0	0	55206.77564	20108.99333	0	0	21313.26279	0	0	0	18191.03136	0	0	0	53367.50666	62376.89299	0	23761.3421	21951.00002	24650.93129	22363.5801	0
Chenodeoxyglycocholate	228844.547	241192.6998	194875.9249	182441.9397	189865.1954	138853.3363	153048.1061	152729.3113	211794.2669	191718.703	181631.4564	177158.1578	257207.7195	254288.6325	204953.2559	209409.8328	187106.7925	177782.9987	166853.5118	184709.5574	222492.8107	189453.2818	197722.8864	144092.4025	190430.6187	190317.3786	161878.161	175483.2553	269376.882	228285.2055	204897.828	245464.4999	278577.4686	249392.6116	210720.5468	240157.0547
Formylmethionyl-leucyl-phenylalanine methyl ester	30092.20057	28256.73811	0	0	26490.7939	0	0	0	0	0	0	33298.56234	0	0	0	0	116646.8411	84486.86945	73551.37123	98274.21088	0	0	0	0	0	0	0	0	84111.14837	32277.58412	66669.56479	74078.43522	37341.65905	34064.45773	0	30386.89464
PC(14:1)	76463.09152	102069.1407	70626.48244	63920.13303	129494.8907	107602.3404	105232.3335	120853.9646	93606.69985	96909.49444	92247.66018	89266.05722	93049.89231	71129.72891	94361.65422	84652.08219	109809.4967	107590.1655	131349.6689	80998.16887	77284.23775	60735.39803	65527.36474	69054.45402	77489.17759	84841.11716	58476.37165	70004.49754	129743.526	104212.7348	88128.1744	142333.0192	127989.8081	98402.45023	82359.68297	99130.265
FMN	70280.44522	70536.63611	66130.60326	66535.56236	75320.32967	76430.44726	73548.65827	71345.37739	72707.92735	66591.71328	57898.70225	67489.46776	56038.43727	58443.86989	56523.67931	52349.30701	90380.7549	82825.7776	86066.37685	89216.04232	67465.326	64167.89313	62706.0698	61871.74154	72592.45219	80055.70622	70506.87185	79235.34566	89638.11108	93884.66658	76809.70324	98784.35284	77126.12778	82073.24942	69594.89432	75481.91058
Vindoline	175399.4472	165492.6879	172547.4757	162524.6456	176807.7589	182778.3113	160237.1061	169075.5874	138007.5108	133573.023	118280.2962	134912.6568	208139.7512	176336.4936	123392.6867	155681.2433	358648.7139	305547.4074	299383.4218	269165.6348	178664.9525	162465.18	147152.4446	142947.387	187604.866	206964.748	163142.2736	237242.429	173386.0554	157526.7549	147008.2914	163059.9262	218171.6549	203099.2858	195985.6536	199148.3666
Ile-Ile-Ile-Val	627710.623	693831.9769	605688.7913	635059.4061	580911.8593	675982.759	506879.6019	466079.4849	707449.4245	546046.8837	748419.257	726249.6885	845211.7287	726226.1112	775011.5873	632859.4683	598130.2586	475478.3485	415288.3943	622492.0681	761093.775	861826.6336	906051.215	710150.6763	619306.9418	628812.1345	674549.1035	651853.4982	713909.2842	547017.9291	510689.2459	469460.9291	672345.8931	646188.5925	471489.3602	389725.8293
[PA(20:4(5Z,8Z,11Z,14Z)/0:0)] 1-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycero-3-phosphate	166126.1033	172711.7336	151369.9945	171537.6849	143242.0767	116204.8763	128552.0158	0	123248.2695	0	110767.5331	75330.91518	0	0	0	0	203469.2989	162216.6702	174946.013	166532.4502	154380.9928	130074.559	134630.109	115250.8401	183061.881	170877.9583	127141.088	136788.276	122511.7302	98826.5197	110588.627	113200.6697	178108.9045	132337.611	137043.1799	136685.6365
Phe-Val-Pro-Pro	486655.4278	533244.7419	574997.6362	436863.4806	437570.1449	497322.1309	586472.4234	458985.1915	325496.1518	419223.5199	458266.2684	355380.4408	1408095.163	1392829.502	1607150.931	1456889.022	123134.0101	387178.9048	345620.7746	314336.8465	398028.1456	758258.6047	751317.369	517781.9469	455663.6158	641323.5516	577977.2723	628658.1871	246037.4372	260237.5005	469128.15	161758.2536	113967.4649	372205.5346	463616.01	226348.6821
Asn-Val-Asn-Asn	79362.70361	30243.12296	0	0	43002.62117	0	0	0	76818.69568	41758.28799	0	16582.8466	57820.95781	24397.82217	0	0	92464.16317	0	0	34989.45416	65778.64795	24184.75279	0	0	44895.33963	0	0	0	92672.73111	27908.89701	18415.3948	39744.67785	133639.2646	78225.37476	20587.14943	20072.67569
N6-(1,2-Dicarboxyethyl)-AMP	296811.5832	271675.1646	329467.6119	246259.8995	384583.7268	342951.4813	330025.927	331084.6451	169534.0163	201624.109	180748.039	165798.0575	156807.6058	183441.3608	165933.9295	140217.8035	391039.9341	364867.5366	333372.9838	395806.3328	249646.7825	244456.6783	241982.3791	180373.8213	275821.78	253601.4215	264529.5166	256586.8485	410272.8269	400953.2903	371330.6341	392353.9208	362060.3371	373301.8898	380508.727	323088.7578
LysoPE(18:1)	722114.7792	716602.4748	655096.0599	698615.7442	985191.4929	898047.4912	904279.7439	864485.6037	1017875.547	882493.3931	834210.9353	985846.2375	1004285.667	902237.2526	859500.718	820240.1348	1116879.703	1016467.124	910806.7138	891071.1942	789909.5494	712799.3068	715485.2184	764220.1149	763474.3166	709379.7871	668411.1483	731629.5034	1242970.23	1066564.975	943840.0906	1105245.658	1134421.333	946523.0782	855461.4577	887273.1717
Cholesterolsulfate	1493891.127	1487819.424	1563576.939	1541279.29	1138409.06	1298276.942	1127067.583	1244691.293	1435497.052	1264523.259	1340756.345	1457828.237	968750.7363	964432.7902	932950.7018	953826.3595	1194202.416	1578830.233	1568883.617	961975.468	1424799.015	1371844.557	1194121.771	1229657.81	1684533.074	1506279.434	1539215.684	1476280.746	1378340.402	1307586.995	1335973.415	963608.601	1054195.492	1300415.721	1277565.732	1322776.04
dCTP	99807.21556	75037.38863	78280.41348	74588.02771	82421.21424	55293.02983	75141.08018	70269.14273	45062.07863	40376.3931	32792.58043	33031.34024	38995.87165	45238.3778	41305.44334	41134.98734	33606.31729	25882.71312	31634.01947	38662.06879	66171.04224	57475.76546	58926.78223	51000.08965	91309.5941	82583.93252	77224.95844	71180.40707	44667.40966	35710.37023	30910.21225	34707.65709	69962.0707	73895.23428	60846.43692	60013.36997
[LysoPC(14:0)] 1-tetradecanoyl-sn-glycero-3-phosphocholine	254807.8013	221692.9119	222471.369	211838.4641	200290.0577	118394.469	160928.7516	138114.791	151239.1008	137504.8663	132849.928	140765.1352	69721.00016	91617.8447	72829.87795	68226.4796	252255.1281	239744.7669	200721.8706	212559.6804	197572.222	182236.932	179218.1157	164391.4992	203323.2623	199641.0957	156555.58	190282.5953	129550.5575	130582.8579	180563.4396	185677.0987	175314.7192	212982.7809	176855.5134	209053.8496
[PE(O-18:2)] 1-octadecyl-sn-glycero-3-phosphoethanolamine	193307.2528	154483.4696	140484.3247	156775.7784	202393.4998	155311.0109	156799.9891	165599.628	184087.2551	171603.6591	160101.6272	180098.8217	192984.5895	206621.6038	165160.6041	176229.4811	212994.5539	172346.8351	177856.2967	198314.638	155844.6183	149760.3057	150445.1953	157556.2147	173423.2828	139261.7008	143581.3097	159803.1915	219527.9002	215371.3703	196692.657	224285.6756	214415.0242	197058.2893	177724.6154	181859.2436
2-(alpha-Hydroxyethyl)thiamine diphosphate	189142.6612	187071.286	193634.5809	176349.381	180667.6166	188403.4668	204898.6922	210644.7686	201374.2283	266438.4437	240013.0225	259645.2325	163012.641	195055.8576	193160.0389	200572.9299	306202.7919	299710.5178	288844.5158	405658.5009	206679.6762	163703.0079	225635.0733	167262.2949	187875.745	174221.2208	194331.7203	199679.7639	296909.6845	316840.8041	308612.0553	354336.5988	212385.5814	205188.0722	196319.2018	239049.3346
10-Formyldihydrofolate	258663.333	240851.8351	271147.2165	272270.5877	243176.1715	226802.7644	179142.2245	198534.0508	226541.5016	253093.8863	290470.0186	282988.8823	244597.2784	269588.8502	220540.3621	262540.247	301588.5038	282161.7988	339334.6951	317810.7866	238475.8243	271127.7321	312871.1212	277315.7447	329856.0348	254325.3052	287752.2118	331669.1816	288633.555	296479.5709	316812.2932	372280.6776	177981.9962	250419.186	189590.9921	241293.432
PIP(16:0/20:2(11Z,14Z))	515005.2163	492172.4904	476224.8512	644468.5392	661014.0939	562972.9777	589363.9641	643513.4566	515276.0368	507575.5964	438794.2782	598874.4701	1313592.664	1398017.009	1399769.319	1407733.96	275044.9585	288892.5154	300574.5087	347420.1718	562854.8438	574569.8709	638610.64	668824.7716	733350.0935	588908.6365	618950.0187	691337.0039	376915.0651	445643.7701	392276.8542	316189.8991	332281.2864	388455.8807	311490.5517	341522.8406
CMP-N-trimethyl-2-aminoethylphosphonate	270247.5274	292355.5152	304676.0838	285642.2744	257494.2943	231165.8478	377396.7889	300795.8258	268373.0491	271573.1361	339587.6664	379242.63	229318.5222	238842.7041	279472.5447	252313.3428	366164.2827	310211.8837	365885.6484	406944.1462	257148.6256	269290.1547	294136.7447	305258.3809	254540.5107	280129.7591	277359.4966	338799.3917	363236.1163	350835.9707	323846.5422	418227.198	300502.798	342658.3019	343073.8761	276853.6668
Ile-Phe-Pro-Pro	1511867.04	2054130.269	1724354.137	1834161.711	1524121.282	1909450.118	2408396.025	1742219.732	1165228.139	1070615.046	1540417.288	1128168.554	6443251.62	7146827.491	7208297.753	6712276.687	449378.5978	955588.7383	1003406.828	1676061.319	1300252.888	1959947.93	3154414.323	1830647.576	1749346.604	1988524.518	2048209.333	1918283.427	713727.6696	807951.6559	1796218.929	451225.7953	457042.7736	959015.0171	1263319.795	854250.0824
LysoPE(18:2)	865934.617	761306.7773	714166.7407	722941.0949	782450.0152	709173.2663	662558.6071	714762.6508	797753.687	811184.4787	689532.346	729139.9259	691303.2547	726393.1992	582576.1143	549861.0857	1275319.864	1070266.841	1034367.273	1056648.62	751175.4761	686153.0867	624884.7121	740496.9318	735177.2144	792158.0962	669491.2481	769514.7332	929825.4237	845485.4499	788422.7086	863710.3501	916302.2758	813418.196	769744.8154	835928.4857
LysoPC(O-16:1)	443048.937	387447.981	402024.5651	455443.7648	637699.9656	583368.484	517909.9653	626769.7563	660058.6267	673808.7558	630030.2021	771766.1199	547992.7082	641789.4282	433330.6817	471978.2527	903124.0809	742349.1295	660518.5146	849877.8202	398765.2872	400982.4305	393900.2342	463684.6221	484142.1057	412042.2882	441011.9022	378483.6344	829016.1914	760083.4125	749942.9103	771209.6242	718976.4366	785579.6156	610788.5089	601620.3664
LysoPE(18:0)	273667.1195	287475.8247	167871.9093	265538.1475	192076.9406	196844.9231	164731.5361	208169.3608	206677.7877	179952.5953	154861.2184	174273.6752	69174.05844	81029.21807	93257.37623	155032.8031	231985.9979	203729.535	222258.2348	260403.1909	256238.6464	182396.3168	201730.372	189293.9457	236540.15	197138.8397	208501.9135	260387.0756	253709.6371	191463.1864	189664.6475	218689.6807	271043.819	265833.3286	247415.6892	246567.2031
[LysoPC(16:2)] 1-hexadecyl-sn-glycero-3-phosphocholine	199669.8303	216564.2221	192656.9186	180688.3845	158473.7716	183669.8915	188453.2033	198452.4952	250890.0112	262594.4918	211153.1347	189624.2	175114.8438	174760.4084	117203.1771	158843.3322	374056.2229	168105.1113	217356.6077	254587.5289	150513.9213	104228.1586	133470.7571	100748.3079	214446.0721	247766.1321	213572.3989	175621.3309	282506.8813	199190.801	212143.4524	256815.0594	212618.2881	212761.8635	239760.5816	268931.1649
dTTP	302640.8194	242581.1977	210809.5996	199809.3143	251913.883	186519.8092	179820.0986	198178.5302	197311.9737	190839.3305	153399.8144	160775.0619	162450.4254	164332.4926	156368.3708	132890.9931	231044.9182	169674.8723	151559.0437	173040.6138	243611.2476	217323.3477	192294.5069	180805.1181	312223.9157	267042.3602	251050.9024	239973.1293	246659.9189	225337.5182	192261.4304	211836.2981	253871.5986	247122.902	217743.5391	200418.6558
Ala-Met-Met-Met	270846.2203	138067.2805	56361.64139	58052.78643	76992.76975	41988.75876	23295.61776	23968.87603	197809.7163	108065.4649	37374.69943	45893.90506	57796.08942	51535.90058	28179.69188	14899.60271	185007.4957	78641.64852	45661.10967	61532.57216	165304.4547	74350.61789	41531.90514	32753.96436	91729.63292	55327.14703	28404.96621	23391.74605	261602.4582	191087.1401	65693.65946	72132.03987	518772.3138	405013.0086	197378.2153	133432.634
CTP	542441.854	433258.8976	423503.4825	382580.2023	425770.2771	329034.8136	327919.9945	328627.6221	161800.6908	157991.0815	139509.9626	132960.4033	206747.6302	205900.9719	182212.2349	163262.5052	143455.7998	118770.5812	110159.8448	113990.6857	528447.0764	420729.2791	413186.7462	370946.7088	523103.2539	484528.1241	428998.9457	401645.0328	179276.8481	151071.1242	134130.6276	149704.1923	337772.2553	323809.8336	302665.2915	260558.9622
PIP(38:4)	150044.4446	130940.5732	117955.9458	138617.7753	154032.8041	147722.5039	134968.1092	177977.7142	137917.665	123105.0703	162502.347	169796.01	347600.7879	324151.9262	363476.5089	438897.103	62367.37861	72730.17634	97293.57007	77087.08148	165079.4681	185427.7065	159118.4686	162909.7232	183781.4812	138857.428	150874.9155	181762.6238	89066.75388	94707.26491	97328.44204	83964.26914	97941.05278	107167.6555	100260.8718	97862.81833
UTP	7061788.816	5237839.709	5064750.424	4332647.358	5651485.996	4314405.915	4672175.148	4348195.985	3014677.088	2727993.173	2499078.969	2194778.079	2986903.583	2916507.712	2637129.102	2234806.502	3276512.471	2370688.782	2428163.232	2535831.271	5367784.739	4565266.467	4473135.28	3677011.633	6866181.561	5640707.035	5180370.916	4851339.264	4102242.662	3185307.788	2862820.692	2969529.767	4790201.363	4759516.858	4177381.816	3605694.904
Glucosylgalactosylhydroxylysine	510177.0441	370504.0386	400214.4846	392308.232	356097.2815	287309.0516	0	244676.8009	541104.9177	620546.3265	276022.2458	360098.864	284330.2324	0	202052.0858	0	521077.11	423974.6119	439120.9351	450713.74	467339.6652	381064.354	349792.7329	333005.1213	276725.3448	207611.9667	279570.3688	197925.9522	654207.4263	669301.4526	400780.7979	417022.3739	537961.6576	481038.885	430453.1254	471389.9214
CDP-choline	793099.4301	752909.4642	783743.5069	735999.6766	918512.7502	812463.8385	897514.6522	974243.9148	1083754.118	1141673.31	1130187.099	1221942.478	808033.4811	967503.1013	865306.5	981536.1705	1876167.438	1514289.71	1650840.916	1984147.529	742344.9921	767937.376	931618.97	788747.3832	793601.4758	1042634.446	837203.1758	909540.1808	1684294.835	1863910.453	1756269.684	2086813.571	1029971.015	944996.5649	1006341.358	1013909.029
dATP	120210.1817	98364.42774	92771.57337	87190.5606	102373.5706	77631.4546	96921.37473	80574.05648	72433.77958	68951.45241	69852.54132	65549.43014	57364.68323	71534.31355	68692.48291	54704.3673	82574.94294	58579.43908	62645.99499	72106.30654	87764.84687	78573.81995	67366.69991	67440.37101	105904.0787	86883.97148	109368.7931	98911.56379	91779.0607	73007.77463	76666.86598	93303.23501	90236.31387	89546.6123	84732.97504	70766.35159
LysoPC(16:1(9Z))	762383.2655	745146.9184	750919.541	661654.4271	659506.0771	457645.067	492126.4828	617534.337	441907.0191	481537.8502	589867.0637	537204.8523	310121.9029	355488.7359	280849.1301	331682.1653	1165515.309	1052371.219	907329.7623	976175.4417	658912.3127	609963.4915	690019.9619	530155.6096	690843.2176	622505.9683	626238.0196	617284.3493	633982.7183	537345.2324	561450.4913	559973.0762	566896.9974	672521.0238	670284.3851	692457.9419
PE(P-20:0)	148942.2115	161755.8763	129795.4625	145519.2839	182316.1682	150158.5431	150955.0107	146859.9012	179296.0825	172908.1179	162070.1393	150751.5793	174858.0756	165730.5405	191615.7783	168346.1486	162309.8804	154374.1879	175218.6933	128165.1103	120513.614	115168.4264	136994.7582	160800.3922	162475.8947	151729.4033	130190.7083	127710.791	190359.5905	196368.978	156065.3501	168049.1149	187807.9709	159031.5089	132317.4171	157900.2072
LysoPC(16:0)	6257699.752	5586168.511	5588255.429	5863258.635	4282158.568	3832940.935	3893252.231	4154046.134	3936680.36	3959936.786	4111667.652	4210703.304	2274006.66	2705842.788	2251255.967	2220171.336	5716938.181	4972771.272	4691063.238	5569552.96	4631125.049	4561264.404	4071289.474	4314919.306	5126722.537	5448029.523	4886515.356	4893041.677	5048135.588	4681486.419	4646527.922	5299049.49	5924980.816	5552638.364	5333967.543	5512256.667
Ala-Leu-Phe-Phe	602919.0299	687106.2141	465024.7597	670704.1507	477082.7768	727237.0081	882997.0422	692113.3301	552235.8017	355778.6531	642054.3769	612689.3459	2228818.383	3143027.62	2875101.687	2640156.293	189737.7299	362297.3988	417129.4774	741324.4002	435999.5357	572197.9327	962874.5025	776070.7629	586410.8327	671677.16	721863.7785	640547.297	163301.4043	295395.445	655353.3733	226743.1876	330010.0318	321060.0174	340472.6352	276548.1283
Ala-Met-Asp-Tyr	2870198.351	2843275.167	3366098.082	3354659.738	2494889.891	2626360.205	2350605.509	2131761.684	2642893.232	2689130.998	3034536.886	3332630.563	3629554.58	3838447.785	3606460.573	3048441.769	2218335.456	2319505.425	2414757.574	2248764.838	3589696.684	3382343.613	3461523.307	3462749.86	2921196.829	3066481.642	3106188.118	2813487.868	2385166.079	2424527.818	2600392.895	2908034.169	2540190.603	2549762.595	2538282.566	2957530.622
Ala-Phe-Val-Tyr	30497.47798	51026.78041	0	0	71751.47338	42543.37218	63950.4631	55292.97473	66888.97402	37254.11944	0	0	268208.9308	170681.0522	223602.4384	132223.5977	0	0	0	39596.56686	0	100619.1489	80698.2312	0	38268.45005	51689.6705	77700.5985	0	0	0	77767.39139	0	0	0	0	0
Taurodeoxycholate	207441.6625	224385.9852	188972.0914	180129.877	196929.574	179275.1479	162299.0838	166450.3335	200743.8599	206759.6483	182174.2369	171116.3396	271011.7618	238437.9791	229689.8399	264921.4789	254446.1981	182948.0629	174516.6248	192769.8281	205635.5577	181172.5405	176053.6777	164446.9749	171984.0043	205006.2115	178065.7297	149971.4706	249998.5317	226949.3982	192696.5477	283436.0978	282616.2284	246047.823	210994.1857	209733.806
Cys-Leu-Cys-Tyr	311383.9567	364306.1264	350416.1093	342845.5459	261639.6131	308196.4183	238779.8997	239522.7916	276445.0694	281623.8891	328689.0676	377428.3882	414293.2858	394392.9126	409192.8641	338068.3468	245146.4869	237670.1269	287635.6445	305804.7853	415246.8214	369645.5839	412865.1637	416384.7079	316373.3423	325563.0482	327193.2335	327136.3037	266161.5237	258357.7412	272109.0818	351398.6142	325353.6424	311139.5549	273443.6666	309897.8656
Palmitoyl-CoA	616401.7232	808658.0952	610405.3261	603131.1026	518472.4375	517871.7801	515535.3205	512699.9385	288351.9666	239596.5395	229888.4776	310441.9307	327660.565	322863.6325	393722.3026	259755.6258	141303.7505	305087.9512	220505.4547	224033.0881	508559.6159	512419.1827	520204.8367	453368.5723	513302.978	632171.4518	621024.4504	623375.0409	287130.7912	312230.2583	329054.5016	267774.1746	446425.4625	653297.8672	503546.0847	452054.0996
LysoPE(20:2)	182766.6029	138674.018	176274.5776	220209.464	186574.9718	200078.1055	168857.9154	179731.6694	186320.5871	183308.3678	154889.0657	180526.921	89100.15653	67793.75563	75517.99777	70439.1259	413069.3244	347955.6286	424348.3321	395768.086	131926.6201	191592.1339	173786.1198	172058.376	197960.2063	217004.8413	265199.2261	192011.0905	191913.7166	182107.8127	180063.0221	200229.0468	216171.3381	225464.1324	300555.2157	186699.6025
ATP	20397468.49	17715008.67	16086773.77	15812515.05	19264973.34	16145419.03	16072991.97	15592500.84	11994121.55	11371014.22	10401652.65	9640943.519	11930315.58	11977492.39	10837026.92	9757518.746	11118409.9	9239849.292	9223925.098	9380147.134	18666181.91	16664724.85	15287320.69	13896772.37	21249118.4	19427244.84	18066496.37	17355589.78	13514968.23	11464223.05	10934396.37	11862823.83	16780806.44	17139377.02	15061954.09	14470301.53
LysoPE(20:1)	323363.6061	228236.1819	342055.0886	304077.1019	253944.723	180153.6835	177498.8469	208039.1758	175650.8275	210909.9428	155684.5551	194695.6086	212866.1981	136363.1005	180088.463	115690.2008	378046.1321	323043.9471	420023.7488	465937.7935	261528.3299	218847.7378	249394.8438	191940.9761	243521.9044	259513.4982	285768.7708	278133.0145	163483.1941	202290.2433	187242.1412	246659.7716	254985.5519	264132.6041	306922.382	279138.8143
LysoPE(20:0)	523259.2781	473795.5641	504501.2244	404313.6169	430774.2918	328911.1079	310158.8801	386946.3403	276661.1426	376107.233	291058.468	322533.8312	246403.5843	288019.5604	226347.6738	250949.7633	488718.1437	375433.5218	338698.2987	380760.8815	345309.2938	318616.217	340961.6647	274513.0493	492697.9378	421425.8817	415942.6646	425088.6595	506571.0387	294450.2526	311835.8693	438578.8871	451936.2686	489914.4351	468349.151	468709.5388
LysoPC(O-18:2)	375963.929	199960.8384	259462.2718	298809.8929	292913.8341	386380.1525	366023.2636	339082.3747	356371.7632	343483.8499	288741.7417	327126.6389	277413.4967	179894.9534	175867.6893	275843.8359	411378.1761	260350.8815	316110.1981	319550.5074	204343.9797	178143.2899	219996.3237	217359.2679	429440.5241	241334.7086	298672.5454	283569.3191	380950.543	303733.4205	364363.1946	422159.421	379913.3724	336191.7443	384241.2235	318024.6198
N-(Tetradecanoyl)-sphing-4-enine	247351.6499	272791.0153	244857.6781	217191.5715	236592.4161	212314.6511	247474.265	255451.2654	178821.8506	212230.3831	183437.4753	196389.5992	305164.8832	273879.5731	222695.4547	223344.7157	140536.6714	218750.7544	197524.4314	78551.97807	265726.4499	264451.9342	278763.6406	343182.4982	289568.7293	318947.1638	308356.088	334590.9048	165174.8455	173879.4564	197860.4705	117813.8126	161098.3992	204380.2242	243675.9816	170275.6728
Glu-Met-Met-Thr	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
PS(O-18:0)	90712.15113	72843.55886	63418.89882	72240.99997	108031.2241	73238.65409	68286.75858	68122.56743	93481.80982	87693.36978	85598.3579	106457.5772	90968.49357	115844.4529	82007.12001	84989.57091	158376.2234	106303.1222	106296.0127	114514.972	106109.6132	83129.61717	91356.92436	68424.64113	95198.78546	81134.83475	70684.79113	80989.8816	121316.627	110187.9538	127427.1146	130753.941	79982.82912	53981.7235	56266.29853	72541.65953
Ala-Phe-Asp-Tyr	70989480.24	66590787.15	70962211.21	74170014.04	53899259.65	55540771.88	60781664.34	55732719.36	74463903.38	68239919.6	76981279.65	76780646.57	43381529.44	41792446.78	40935839.39	47105380.97	76042996.62	71012446.82	76332848.89	83301074.29	70499617.46	60831018.28	73419248.24	69613299.2	63947469.75	63246005.73	75138493.56	64923911.45	88339120.26	77516573.01	81998671.19	98253685.83	75614498.55	71062527.52	61140368.54	72993856.74
Asn-Gly-Tyr-Tyr	140795.4898	176357.8622	172567.5941	239902.517	156356.6434	161845.7236	229623.6971	170096.9617	185599.767	336068.9789	178379.7712	203793.9694	451670.0737	245767.308	202543.7152	220881.7744	142067.2252	143850.8067	116673.2683	139902.218	317939.9089	244944.0498	188227.7643	186856.7705	195813.7126	205282.5053	131451.7207	172617.9273	214352.7123	190214.8029	141992.0543	221024.2853	159444.0396	148404.083	125821.9796	159825.874
Octadecanoyl-CoA	237121.1283	285052.7695	300462.4826	252636.3828	236539.6186	222613.3091	242746.6414	286656.5711	86565.70388	116509.2974	74413.60003	81613.67158	81621.53571	87558.08104	86957.41211	74949.94292	68653.44996	29905.55948	0	0	324170.442	331288.9535	249009.9746	205650.5561	323350.7862	362566.4241	209795.2721	212277.8612	68521.14097	49506.79328	99321.94664	75299.2882	283033.4919	311827.2559	257408.3082	207847.4242
PC(18:2)	14036908.38	12954391.59	12537050.06	12872021.12	14043155.71	12544620.33	10954370.39	13221262.79	11984759.62	10744466.12	11926424.89	12492725.55	8223164.566	9034702.702	7450931.055	7000490.19	30873039.59	29179445.13	27012543.11	29188004.02	12788792.37	12633778.2	12864876.23	11207642.52	12789704.46	13521950.87	12395172.12	12857416.16	13754725.44	12715261.62	12792875.2	13151194.19	14871403.79	16557443.02	15456886.55	15027560.89
PS(18:2(9Z,12Z)/0:0)	98861.0868	90903.10152	82636.10404	80702.20033	74370.58828	76964.01617	73898.64497	79663.65782	106452.5295	88288.4142	107425.3627	105536.1367	107632.5473	94245.00776	98787.76276	127587.1425	142213.8089	114814.7821	139691.6965	162019.3122	104526.227	71079.12493	105738.976	93263.41661	103133.0829	96292.02924	77716.30579	90765.45912	145021.8044	111729.883	117709.0795	137745.5658	117722.7967	129321.6149	91784.5251	86225.26271
LysoPC(18:1)	3752562.428	4010681.307	3566157.04	4205729.367	3047666.43	2970453.87	2530272.538	3300165.89	2849638.241	2531299.426	2597902.568	2616540.22	1594593.696	1826453.428	1742944.904	1625302.735	5562600.085	5178686.516	4896990.586	5096675.297	3228037.055	3378935.612	3482728.672	2902448.373	3468809.315	3533847.407	3552835.19	3593831.946	3071979.046	2715206.368	3075437.216	2847765.557	3929087.966	3894471.417	4030997.139	3731283.521
GTP	2299271.31	1766931.098	1757753.175	1534811.145	2844985.844	2166341.739	2399817.383	2113147.209	1657380.835	1577836.855	1367676.093	1171177.965	1696630.964	1671856.896	1521205.9	1326016.486	1642068.83	1266510.52	1276508.668	1249262.226	2700381.291	2258146.16	2210966.958	1851293.916	2541289.884	2128327.798	2091981.689	1865113.278	2076353.282	1684636.246	1505701.44	1525023.401	2232176.171	2291994.296	1883718.091	1717350.044
LysoPC(18:0)	7939532.711	7244503.091	7364140.657	8093776.836	7737807.341	6699940.361	6124666.291	7346560.077	5787217.506	5439841.649	5198286.819	5826256.115	3237606.657	3426082.451	3074983.287	3241666.788	7791995.117	6576073.086	6147252.259	6876995.573	5822227.33	5628430.16	5552874.938	5516840.561	7235785.861	7189841.709	6863050.682	7583059.941	6877652.745	6249302.273	5660745.326	6657134.069	8595008.947	8536043.818	8076005.353	8033144.756
LysoPE(22:6)	71537.74951	80661.10012	81614.00484	65121.99551	64936.70125	58757.96666	69330.89597	58301.99692	83995.63507	61621.95966	80791.67961	73884.31643	67460.08739	69757.76587	94697.06209	85065.59367	129499.1637	114175.9739	113696.7253	101073.7825	60647.39131	58236.20843	64154.55582	63677.45981	94058.41235	74887.64282	59299.49264	70159.72629	102584.7683	69953.41964	76866.64667	76128.16197	72719.99931	79212.68326	78045.94255	81850.88107
Cer(d34:2))	271806.4905	303612.4252	222342.9509	281895.3999	307559.6473	309376.4321	260124.6473	251906.3559	214661.2479	242012.568	313877.1388	260280.6724	289558.3993	308619.3656	322321.785	305157.8321	156315.7498	276311.6475	251423.264	130580.1018	274211.1669	336202.5274	282415.2914	357634.3424	350644.5868	445541.2122	385739.0586	439261.3537	214722.0503	259748.73	296433.9759	140500.8449	192634.3673	226242.0038	244547.1848	263456.4527
[SP (16:0)] N-(hexadecanoyl)-sphing-4-enine	8400851.073	10831001.34	9551519.211	10619182.33	8583259.269	11631037.83	11946266.36	11854238.1	7329897.469	9095163.675	11357212.22	10016208.95	12692975.87	14706057.86	13611536.45	13621190.25	3805673.253	7495849.854	6791400.86	4281807.465	11526798.96	13325826	14141585.7	12308102.03	12773857.54	14772285.75	15577005.22	15672210.67	5092134.474	5157754.941	6370490.855	2689988.574	4256054.169	7549661.082	9291902.621	8328664.295
Glu-Met-Met-Met	238977.1466	217513.6466	222867.8319	194450.4571	132202.5699	95871.62372	131667.0004	129986.2454	160427.0704	128826.1499	156514.9592	128166.145	106046.4214	100048.9975	109411.8229	97828.95049	114367.1255	129077.5416	109958.3983	134266.2255	215372.695	202591.7906	156768.2161	158256.8309	152662.2185	141664.6928	203330.8159	161237.9966	216212.2708	199955.5261	183259.1302	207604.5758	337035.7861	349473.2818	290919.5928	348015.5275
Cyclic ADP-ribose	430627.6127	361099.8224	444267.4916	390037.7263	361439.3061	347355.6958	358502.2191	374862.0523	412624.692	380549.2909	424265.4847	428934.9941	324871.5233	307974.2161	322179.9427	339148.6186	532384.2053	490847.8635	493212.2366	561127.2986	385180.06	367763.1562	378612.3735	346642.5631	418677.5535	381271.1352	427483.0124	394101.5406	517325.3527	527537.0022	519359.6051	558035.6983	406969.6885	349747.8708	332104.4904	353341.0131
Arg-Cys-Cys-Tyr	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	45470.41486	36106.70251	21547.53896	36890.13017
alpha-D-Galactosyl-N-acetyllactosamine	94848.64954	74858.7699	45914.83996	47791.59764	76607.07088	44321.38265	34158.50485	36674.88584	85106.18326	81195.38133	50292.60132	55942.60844	59765.77619	48680.98696	45401.22073	23912.08629	92525.13022	70625.89156	63560.07289	67008.4092	79121.8639	59944.82585	47321.75498	44718.28534	78776.52407	86930.06378	47388.65269	28629.72643	126355.4287	82036.61661	70229.61647	72360.39298	69007.05114	60005.70541	52150.79707	69637.99688
[SP hydroxy(16:0)] N-(hexadecanoyl)-4S-hydroxysphinganine	344862.9365	390065.5895	421368.7905	511997.855	427273.9026	491728.3638	533417.5477	610496.6608	398485.2165	483606.9228	489277.1543	559258.2991	580207.4076	605552.4018	670348.1922	619139.693	211650.5231	280932.7096	310296.5694	194100.542	458588.6358	594171.3689	645994.1908	585239.3348	527621.4844	590804.5597	502202.9363	605131.3686	211774.7074	220087.9108	246935.172	129640.7562	201832.5051	280310.2566	425582.4009	360788.8578
Cer(d36:1)	122943.6315	169281.692	168445.7798	160226.3517	148560.125	163597.0607	237787.4898	212968.3657	91605.8955	143047.3166	178205.8973	173638.9114	210815.9776	226788.1475	253982.6171	251288.8204	39026.57158	120900.0026	86854.00491	107678.8393	167591.6773	277419.6673	185275.1774	175350.382	225951.8513	209788.9848	220960.3706	216182.4873	100090.6919	47953.64543	125426.5033	0	97741.22446	101530.8743	183527.4552	121697.56
UDP-D-galactose	21008892.64	19155715.09	16820901.72	16299601.22	19827043.19	16698421.97	15436147.57	17712620.85	18434521.47	17799541.78	16358607.73	16263644.44	16546439.33	16609125.8	13819536.52	13177394.82	22892737.93	19426424.88	19651104.62	20838624.39	21377906.75	19160829.18	16965666.02	15159316.26	21041539.18	20500832.88	17688320.58	17406859.56	23940809.84	21136338.35	19813515.23	22051686.32	21161359.31	19910472.4	16919446.59	16629551.25
[PC(22:6)]	5310433.148	5667727.212	5071783.187	4812432.178	5326703.365	4448254.988	4254843.016	4218873.5	4683728.65	4338419.671	3996941.841	4227201.842	2803202.593	3220536.21	2772258.416	2721636.222	13066759.36	11457419.32	10763144.89	11120601.01	4998836.751	4503732.136	4413024.253	4580691.052	4397607.925	5164059.02	4398980.023	4620085.19	4967624.321	4365320.024	4096970.41	4430010.28	6050120.6	5683288.13	5216154.396	5636631.797
LysoPC(22:5)	4230133.974	4677675.779	3805805.648	3944183.956	3912357.457	3607509.898	3413886.735	3778831.128	3678347.101	3290953.312	3161821.725	3151647.414	2556479.925	2577219.567	2332689.274	2373395.97	10254272.09	9033915.787	8363817.109	8878011.106	3992316.658	3784861.911	3998158.919	3465445.658	3582444.025	4055318.694	3594808.377	3643077.158	3771476.088	3872427.073	3471040.216	3557127.698	4828232.112	4727952.773	4192419.825	4583514.308
LysoPC(22:4(7Z,10Z,13Z,16Z))	2935493.803	2781145.644	2633095.51	2539988.588	2860861.356	2452882.93	2300762.722	2464858.13	2504910.488	2201912.223	2038029.551	2217452.331	1625776.36	1682427.153	1577351.124	1314910.177	6437563.63	5624237.147	4925593.581	5346559.202	2324982.56	2689929.633	2437309.792	2650967.285	2763878.894	2844898.075	2398217.376	2385826.28	2828881.366	2366461.887	2135098.697	2387843.621	3336987.594	3265381.963	2906047.505	2874110.554
PI(18:2)	170424.364	160082.0308	159445.2426	137332.9171	168696.8556	155571.5619	161578.5142	174311.3101	214360.3089	186683.0378	180735.7985	168217.0417	204932.0704	177776.6144	167246.8216	178896.6571	325493.7982	239791.3996	255892.7274	271345.1052	161204.0542	153269.0847	161845.3932	158448.0294	158659.5067	201750.4547	188439.5533	155389.9844	276134.3495	254848.9831	248136.5929	304572.0001	203187.2862	135030.7288	169856.9122	170323.2967
[PI(18:1)] 1-(9Z-octadecenoyl)-sn-glycero-3-phospho-(1'-myo-inositol)	132718.393	119673.7171	72668.84538	92532.5792	113754.8271	105111.9626	117924.6937	101241.3257	142123.2738	109355.7889	114513.1386	125904.6159	131669.4282	132326.4087	123295.8083	123154.6142	171558.3157	156770.1779	145797.9036	138383.0212	135179.995	92387.22305	110847.4692	88162.2519	143200.7756	91524.82891	78411.5807	108620.9768	175622.8259	170217.5739	138531.9972	179416.9834	115678.03	118256.0142	98035.97987	105922.0322
1-(14-methyl-pentadecanoyl)-2-(8-[3]-ladderane-octanyl)-sn-glycerol	1188804.649	1479436.355	1237934.8	1346387.688	1470304.828	1397317.225	1387510.232	1493483.276	1300983.773	1229942.188	1284746.894	1381754.673	1344781.104	1357548.358	1510365.156	1495849.932	686270.5164	1244568.47	1003836.473	670481.1715	1591785.062	1471298.876	1490755.645	1490561.93	1327922.216	1358500.299	1514842.485	1496543.88	817646.2307	1077460.164	1119034.505	587478.6152	811376.8619	1252906.273	1151677.993	1155079.744
GDP-mannose	661217.5765	616063.6851	562571.8383	556184.1158	819796.0294	669175.7417	755645.1047	695640.744	852407.2728	790615.6623	720206.8502	723393.0487	716858.2103	716495.1439	652866.0631	661610.6016	1091273.516	946226.8711	905025.1739	1002234.107	787354.581	661870.3879	676872.173	571644.843	723384.2979	669136.4186	674662.9108	612031.6207	1121253.746	983112.7299	960907.5345	1077716.429	756610.8091	674123.2195	600300.4985	612677.0178
UDP-N-acetyl-D-glucosamine	1476858.504	1336806.67	1254774.051	1267193.974	1237712.746	1191151.658	1162328.845	1175936.292	1210131.747	1160433.035	1074060.488	1164993.357	918578.0037	948301.4644	888287.169	884518.463	1778327.332	1459276.677	1480325.627	1594768.19	1307259.297	1237375.734	1215735.614	1102038.145	1390621.067	1339703.877	1306155.795	1255673.952	1680248.341	1617941.508	1435452.069	1720266.647	1402335.86	1312961.762	1210292.494	1231803.627
CHAPS	8318313.04	8250347.143	7211729.993	7094534.27	8411731.793	8130948.134	7190908.605	7945782.069	8355656.981	8479231.19	8172562.007	8556151.005	10778069.51	11469302.49	10970604.8	10158666.14	7151169.618	6944066.038	5893793.65	6829331.942	9758876.386	10180970.61	9482241.308	9360517.293	8701182.88	8958709.47	8271435.805	7809604.395	7561942.237	7479615.838	6431181.027	7034340.953	6723850.322	7469663.556	6686628.096	6788268.396
[PR] 4-Hydroxymytiloxanthin	2154666.467	2238398.421	1808071.519	1803557.442	2014186.199	2212779.186	1754698.313	1987048.974	2187832.528	2118300.453	1999739.041	2153289.877	2782734.353	3047302.835	2537652.722	2455143.773	1457969.742	1570687.708	1443058.862	1313371.167	2706595.947	2637896.968	2597376.528	2581633.611	2204241.782	2343777.427	2067376.11	2282503.303	1658721.687	1662601.434	1524472.952	1396639.866	1771837.85	1983357.957	1808110.663	1615565.722
Arg-Phe-Phe-Arg	0	15754.81257	0	0	0	0	0	0	78990.97538	84698.0909	50597.04106	60296.26974	0	0	0	0	120478.7371	83241.99069	61339.82707	122269.2357	0	0	0	0	0	0	0	0	142465.8941	165182.2345	124319.4175	155360.3163	0	13242.49635	0	0
N-(hexadecanoyl)-hexadecasphing-4-enine-1-phosphoethanolamine	98880.93546	112129.6439	104280.7696	81096.06668	81570.6787	99216.35043	102884.4192	121900.349	87427.12221	72763.47594	102193.4203	77185.65149	95381.09346	104422.7228	101224.2072	93244.79042	60260.93693	127270.0636	95150.11967	69974.2595	95591.19696	129579.7269	100617.5068	73689.18817	120964.7924	101134.8319	102193.5838	132062.6513	72182.35491	105094.2218	86053.35984	85469.68788	63081.25133	71781.91069	86664.32597	93262.29583
Sphingomyelin(d18:1/12:0)	353740.5724	395663.483	294495.9686	436276.0293	323987.3747	337886.371	401067.9203	352788.9702	323955.7404	344414.0273	331549.5363	330105.0776	432488.9492	346960.2722	320515.2939	408080.1826	192828.266	323919.6506	292887.1743	189175.2281	386634.2406	375676.1907	366797.032	350288.9975	368353.5153	408443.1901	391776.7071	376528.2198	282684.9907	298596.254	277128.7765	153148.6065	262295.3507	284307.9445	318973.2382	315873.4574
PA(P-34:2)	228394.5081	203402.7319	197037.6199	216281.3951	174009.5173	206887.1067	176633.1965	234371.0625	207869.1897	196422.3525	260024.9954	176984.0692	211796.5983	218024.1925	222012.1145	195762.4527	115633.4753	211427.3259	175246.3093	107169.9353	198165.4854	204221.6026	236934.4086	236886.253	209419.3657	221011.4996	266918.9495	223927.9288	200998.0358	188960.3629	157828.3892	119879.027	136549.1538	159983.6295	175139.8859	168472.852
NAD+	1726900.772	1638295.563	1743639.993	1776418.184	1532853.445	1433948.228	1651089.357	1476513.279	1864167.93	1758037.004	2018109.411	2060185.862	1547425.467	1667602.45	1269206.494	1517606.548	2162349.433	1984685.532	2167191.353	2200385.389	1675121.823	1564994.124	1741966.378	1683343.679	1724522.7	1887979.612	1779773.901	1722954.067	2048463.259	2150759.309	2244069.335	2592273.567	1530453.639	1635552.219	1386754.144	1719624.892
NADH	468808.6442	462121.5038	448951.3144	451959.6813	289487.9792	269064.6974	315843.8959	309142.9812	437689.6771	393395.1858	414825.492	438299.266	312416.6074	294299.857	302587.0824	311415.5418	525978.0078	439017.6297	499706.3918	534267.2118	367734.8541	352781.7136	411759.4806	364485.7455	377624.9026	358170.2174	395450.2131	374636.0648	645968.1755	578056.79	634568.0275	710997.4091	467015.2182	444385.8476	375018.3274	447587.623
PA(34:2)	1164787.773	1367104.013	1209171.875	1071353.896	1174624.179	1288788.349	1161044.703	1358880.884	1070638.766	1102106.448	1100074.669	1126435.541	1294734.224	1345853.807	1157008.439	1303600.037	737052.3117	1075640.348	1086012.565	652107.9453	1294680.777	1318178.289	1389222.229	1235533.822	1387531.698	1368590.972	1546708.392	1429121.057	909718.6374	1047483.753	1072086.173	718157.0668	769650.4629	973459.3977	969267.5382	1016443.228
SM(d32:1)	1268566.906	947779.8669	893521.836	730112.4668	1098438.888	947430.4478	900164.2382	722353.1329	1156113.524	1088709.961	882564.6859	1197072.781	1611741.135	773272.9573	1044747.819	1078432.565	1521287.392	1177804.462	1092276.014	805941.5955	1561396.219	1001720.002	953884.8646	982553.208	1430748.756	1091221.797	1243340.427	1092128.865	1350686.923	1036665.445	858330.3288	1475696.48	1259115.358	1053464.421	703917.0881	899778.118
PA(O-36:3)	306099.4622	459217.727	345281.3732	303983.0729	311675.1641	347336.2377	319175.9329	279321.2103	278655.3045	281941.9645	305018.9507	315009.3148	386824.0698	450825.0392	364196.4666	317468.7857	106007.7151	262223.6293	292937.688	145549.0266	335001.5498	349205.5113	440900.2215	423400.8242	336913.3804	469651.2218	468828.366	512543.1466	161795.0227	276749.0169	249562.3638	147491.3107	193303.9909	262671.3376	274686.5984	240961.9632
PE(32:1)	567227.3744	550052.4998	453389.4838	428337.6406	454844.5362	562113.2344	486640.2794	470651.8492	531161.2389	465109.9282	542576.5498	474037.4654	544964.3687	557731.1998	558988.5714	509880.8293	324080.888	472547.7263	380302.691	263294.6713	614196.2868	566939.8858	491282.422	562648.5425	535806.3886	625061.1435	525032.8346	570376.3767	408238.0382	485741.4603	352874.1578	260923.7596	365611.7735	429563.5114	427616.4978	373772.1864
PA(36:4)	262495.839	277093.5004	257546.6351	268678.3027	307434.2916	257491.2353	289081.7614	246184.6408	309478.1021	235222.6287	249835.7651	224963.1345	282466.2884	303306.2619	295136.079	261180.9011	205734.5038	239468.2578	225265.8525	180374.6695	269677.6066	278229.5996	235877.2367	236321.8375	284096.1753	369159.5261	343227.4099	302357.642	220626.9259	227067.8365	247354.6793	187233.0687	200195.3062	251791.9285	259002.6964	254901.4723
PA(36:3)	337683.4012	331134.5528	266541.2022	254762.7126	294919.3512	310831.0333	345198.3911	323838.3402	244729.1342	253163.9495	232419.5592	241351.2941	318398.4424	295353.8827	276404.5598	324727.3671	187698.034	295690.0196	282917.8609	171082.2176	342310.8938	295008.3081	332344.1697	329570.0749	329591.3406	395859.6644	429193.1144	362848.7246	220682.2565	259100.8376	231944.3165	179361.7705	234444.8906	295172.8909	280440.2739	260849.6243
PE(P-34:2)	1339569.775	1427991.823	1116807.242	1130250.051	1229770.54	1334483.997	1559359.528	1232599.203	1416062.824	1255936.946	1743125.309	1263938.912	2060115.505	2388656.937	2259732.239	1135431.952	727557.2408	1149806.328	960931.8106	777926.1401	1724903.758	1588049.742	1835835.956	1515739.02	1301203.533	1602700.023	1459503.33	1583322.851	878398.3183	950646.187	1093710.263	578744.3157	870666.2164	899752.5207	1217510.066	911067.1433
PA(36:2)	797902.2994	915052.0127	725346.139	862643.294	733977.5473	932515.7647	851662.3042	735500.6413	627762.6839	680046.5204	723828.4765	624792.2452	820020.662	828524.2784	845159.6938	826575.6665	348452.9202	587841.7543	542335.2994	355234.9415	854298.9273	960688.9062	961859.6423	801243.0398	860021.4135	1015316.431	1008171.652	982456.3647	535030.5409	559102.9796	552769.0497	337230.3794	438490.6081	613105.1871	642522.8839	695823.6132
SM(d34:2)	1416152.534	1309651.003	1086852.995	1052997.505	1254603.165	1041180.521	777927.2576	808341.2531	1455297.519	586741.8104	964326.1953	1115689.108	737054.0829	765894.4565	582094.3324	691858.4433	1614001.777	1323934.574	1076451.247	1146446.61	1288286.777	1015360.838	970381.9058	993728.1265	1352815.34	1100144.789	950655.1933	1132055.976	1546038.259	1232968.887	1167713.305	1443367.212	1417998.957	363107.7501	931812.9165	957384.5293
SM(d34:1)	44516032.6	35798232.24	33434617.24	34795660.16	44855577.27	35818288.23	33731090.78	36935391.75	44848125.16	40028865.88	36486440.33	38529089.3	47889824.29	44324975.66	42078081.86	41777416.96	38144054.98	35866182.49	31266070.34	24533213.94	50157696.18	40525710.87	37894062.8	37275107.41	43382405.61	38965573.33	35804543.69	37853296.75	38671016.91	36283375.76	29889587.31	31114956.51	37076709.58	34246430.49	30653854.93	31470815.71
Lacto-N-tetraose	57671.33534	57176.47159	67146.02682	55484.51777	62285.93269	55965.25465	43863.99059	38055.60253	61015.25615	54529.51343	46249.83116	42143.26934	53458.21671	40036.07114	27753.39537	22066.64841	102745.6201	68103.82442	60059.70596	57436.17621	69476.18023	55400.81946	72178.6584	50974.8734	64277.99658	62104.77881	51141.35573	39987.55636	80850.16738	76570.66341	57828.05995	65432.07506	59409.90618	69103.24931	46127.26726	41855.32852
PC(P-32:2)	1127260.538	947000.7634	813105.2282	664810.6482	848062.5018	806252.7389	601571.9814	975049.9776	752775.6024	1121027.904	971688.939	880604.4631	1162633.049	1209031.806	1165067.636	1143468.869	808528.7915	699754.6288	732535.7069	689537.8659	1061899.277	1319611.692	1298071.481	903919.1217	1154395.901	1050281.991	578399.2693	898521.5295	929048.9928	895259.5676	980335.1577	612689.2366	624500.6096	841629.9195	789972.3646	726975.684
PE(34:2)	1228979.684	1422445.064	1306522.212	1304237.208	1362236.424	1396237.464	1537597.792	1377623.622	1089543.14	1161062.743	1410555.873	1232163.008	1724888.036	1781782.311	1911643.534	1914958.14	561493.3317	1125770.806	1037617.831	738479.1768	1618049.323	1662193.786	1475287.447	1551411.211	1330885.641	1597467.351	1577164.75	1664635.227	714659.0262	948479.6351	997067.4282	541438.4813	745231.3926	1142711.401	1250580.352	1176003.226
Trp-Trp-Tyr-Tyr	824586.0376	688871.1321	465303.6999	391350.2615	282109.1133	236510.2198	142700.9792	130871.9421	509614.8677	547250.427	348554.941	359624.8009	309454.4886	348233.4856	320260.0046	118917.2857	440504.2317	310038.1811	238979.8017	255327.0026	584477.5159	571428.8857	376148.3771	341395.0782	339592.8703	339102.2112	247864.4981	186457.9176	777495.0491	642860.4343	414544.4863	459898.8576	1456631.435	1538711.071	1290861.907	964817.9602
PA(38:6)	311261.9127	297191.9438	267235.2083	324493.9161	319135.8245	342236.7496	319856.8132	351018.7239	309586.183	268019.9063	253368.5893	279311.5648	336282.018	315367.0953	339300.1809	310188.2471	206092.7368	245062.4886	235564.2738	260436.7723	317273.6958	340833.9564	302051.7315	323511.8135	298112.4106	380598.3054	371726.5339	330809.6178	219991.6006	239094.7304	240196.6099	221673.9753	221793.5317	227752.7373	304711.4944	261782.6744
PA(38:5)	368902.7265	313812.2428	351319.6602	321009.9719	329391.7844	351911.1453	340226.7274	310813.6456	336436.9411	232090.0004	314227.5388	270569.8708	357007.8397	318506.3914	338399.8322	333216.7071	196680.4979	299440.8335	259726.4989	165624.7502	326352.4295	384364.811	360458.0647	345510.6007	447879.6574	367829.6766	359029.2068	433163.9237	227788.5321	271125.3467	282260.5335	178914.8332	221391.9071	266467.3073	313691.1241	324137.3131
PA(38:4)	334719.7097	415207.0057	335592.0422	352437.7529	346484.4946	372543.5457	431377.0995	330793.0984	248845.0155	255915.9649	312907.4256	274120.3106	348259.3348	374104.6425	329422.8865	374110.0448	163700.6989	285691.41	283237.1693	147677.6626	351910.4924	375538.0746	397399.0326	402185.8832	395859.3149	388234.5658	419384.8908	365859.024	231709.7184	249733.7523	224913.4012	178117.909	243429.4636	286619.6493	275259.5686	280222.1867
[PR] Coenzyme Q8	584153.7257	531161.995	457099.4198	398862.1647	639760.6369	494742.629	485530.1691	536191.69	527453.6829	505309.2471	538542.6504	583510.6776	796632.0369	654543.2996	673157.3503	621022.7405	517902.7072	435961.2842	381271.5899	417033.585	635197.508	582308.8256	680774.2152	531359.1663	622530.1261	386700.0111	535486.6684	591781.0822	539839.0948	377707.1307	343506.4217	422238.8459	478903.947	221765.1465	433284.4522	462320.0858
PE(P-36:2)	3856403.413	4825070.003	3985966.524	3747937.69	3507172.404	4309973.383	4793277.103	4031282.747	4243797.026	3710403.989	5164074.856	3612428.722	8093204.583	8165905.096	8435059.71	7008534.42	1967056.544	3075491.654	2346350.77	2742654.357	5369010.148	5278423.394	6069455.264	4822798.156	4694426.258	4942221.513	4686017.167	5380469.302	2558819.211	3159182.038	3332144.72	1907131.197	2569528.25	3345908.759	3445119.177	2998319.925
PE(P-36:1)	951942.4533	1429644.955	1288609.841	1097021.324	977217.9628	1458595.436	1376717.545	1227517.199	905243.0779	822306.7297	1354113.107	963726.4969	1960600.809	2123479.152	2089083.076	2326053.831	409438.7645	790226.794	847598.4277	715858.185	1107222.568	1393421.001	1620310.859	1448919.059	1079199.261	1544950.053	1508513.629	1761584.496	560938.9775	702892.3093	950430.1222	417201.0928	531838.2598	861042.2819	926716.9294	903691.2702
PC(32:0)	2344602.498	1751385.308	1385017.069	1636003.904	1315753.138	1205553.147	1132451.577	1495391.394	1465895.181	1350470.692	1417671.475	1809368.091	1204177.637	874910.1525	734562.7095	894576.8297	687797.024	1186615.867	1025497.776	902944.7623	2146160.499	1678740.034	1605845.88	1676542.477	1857998.666	1642176.864	1681508.828	1648808.019	1115172.789	1436634.772	1151626.604	616425.2152	1253304.947	1819429.855	1667916.815	1293815.792
PE(36:5)	137777.3832	159090.7215	212124.8982	154646.3023	316759.1583	206842.2117	171940.1979	146682.4779	166553.4425	177542.0513	189663.2039	153325.1035	175279.0941	242316.6372	178371.1158	241925.5217	108975.9217	219042.1915	194451.5686	124776.1471	221842.3084	180940.4108	157661.3937	185510.7008	159755.2201	231504.9014	234070.0276	209631.6121	209665.9859	121265.476	135687.8774	101398.8488	123725.2427	193522.3952	162991.0594	146569.0605
PE(36:4)	401281.5116	490475.3447	424052.6101	360472.7323	439469.5399	417333.2508	468438.2624	468487.6635	392048.2116	350363.1525	439731.6413	427917.5389	567142.4715	539820.5438	501362.7796	564438.9435	318909.333	389839.3635	360162.5217	287381.4289	393107.327	444876.7486	410378.7802	441082.0622	423655.11	392609.4273	464228.7634	414052.5637	329879.5813	311934.4931	360421.7086	237466.4988	297915.1715	388295.347	347078.9131	329842.5244
PC(P-34:2)	16996564.02	17165054.43	15281852.5	14726517.03	16171166.61	15405649.71	13839408.72	14085524.56	18177802.83	16694918.49	18977760.81	17845590.49	23561319.75	22287810.68	21229561.93	18717510.24	14106675.4	15351055.46	13284703.13	10289912.32	23003812.45	19918413.66	18529269.1	18283844.3	22636484.3	20715758.73	17324086.57	19308937.8	15003489.91	15409259.41	14098657.42	12218117.78	12443235.44	13177530.3	13509774.21	13244232.45
NADP+	236353.1033	200009.3028	189042.1008	177573.3724	209089.4957	200030.3571	196268.0249	218864.1627	323790.8262	322399.2371	353073.0704	307459.6754	232245.4155	293194.8145	238270.0747	198230.3204	365650.7572	357997.1731	320819.7833	314477.0479	197374.3022	166919.7814	157680.905	136302.9714	197333.4083	242908.9566	192957.3588	213209.7532	231673.5157	233556.4179	204925.4662	241005.2651	212033.6679	188099.8509	190010.4046	187192.0213
PE(36:2)	383890.1225	390866.3378	336155.0698	408785.9651	295456.5485	400563.7711	478353.1531	383720.0527	300242.4315	310299.0725	416098.7123	360131.1394	578251.0881	606055.1897	504389.6535	520905.3904	184176.6183	275995.6045	293725.7324	204729.8805	392367.8334	564226.9179	512755.0544	460426.8475	372734.1823	565114.8894	420841.0494	524405.8065	209716.9852	237302.2178	283754.6005	149903.7354	188478.1981	308210.8417	335365.8314	313906.8988
N-(2-hydroxy-docosanoyl)-1-beta-glucosyl-tetradecasphing-4-enine	8780737.08	8386020.873	8586398.266	7821315.266	8523629.96	9077138.481	7550490.954	7570143.955	8874319.493	8480283.333	9424557.177	8808532.058	11819662.12	11089783.93	10069950.54	10362681.57	6100363.855	8223408.188	6157847.934	4879487.298	10496627.71	10781546.65	10059911.36	9339428.729	11057463.71	9608411.193	8844983.269	8841981.708	7537984.942	7581740.248	6155935.911	5668756.294	6322910.041	7553125.245	7760877.267	6672108.742
NADPH	608139.0022	519441.3899	477335.3341	425201.3278	642275.657	555755.6556	562125.1241	474824.7672	295973.0735	293580.0118	245620.6183	202578.0088	378750.0975	368123.6884	347077.0315	278745.6905	381339.1088	291094.5678	282102.6382	245431.5703	746323.6014	643217.5122	579628.751	497835.2679	619392.0288	581570.1986	517385.5131	444286.5174	593365.4077	558343.7562	418745.0109	463550.6223	658795.0902	661677.2776	510095.5575	460593.0106
PG(34:2)	1369926.977	1232489.268	1081747.313	1056931.518	1423684.768	1459705.526	1479443.938	1367969.569	1376970.346	1393290.731	1203763.592	1315406.631	1335013.133	1160100.869	1117368.242	1110921.697	1220863.791	1386941.492	1366479.42	1095178.102	1344121.52	1136324.611	1196101.206	1067361.748	1262799.573	1475056.976	1244951.444	1199036.579	1334791.771	1399106.833	1314855.869	1035278.235	1183058.793	1211141.488	1370511.36	1252601.379
PC(34:2)	72795643.85	68827034.22	60405182.94	59295751.31	77448403.8	69807440.88	64213429.62	64073546.08	73221149.35	64959403.73	70542156.37	65641660.92	89599028.88	83272534.89	82083317.12	74851350.1	57488932.85	60696825.98	52209366.37	41540318.91	88276873.53	80025593.57	72962505.61	71006399.57	85244338.81	77702332.91	69175335.03	70506688.39	63676010.36	63378490.83	52604832	47780940.16	58340842.81	64130576.8	61367137.53	57418879.95
PS(34:2)	381764.7979	277640.7146	326384.7428	266562.6093	338131.5305	297444.0551	346480.5833	273873.2307	431514.9686	350470.3439	368861.8819	322394.7526	323467.0164	421627.1237	357695.6612	293442.3597	344437.5243	478227.3704	307338.953	229068.5208	437281.8342	290695.1445	372385.6862	254281.5256	405621.3891	348214.4343	297398.0019	330843.751	413495.4458	334321.4556	339512.4072	308615.9733	372097.2526	339997.4909	321175.8402	279485.8168
PS(34:0)	768348.2653	824342.3795	597596.9129	649290.8299	891531.3356	943028.1357	761608.3928	725517.3825	967081.4275	820804.2166	906873.526	740699.1928	884320.5479	783599.3609	926014.4647	716596.5447	805383.5031	1030904.671	691463.8439	461740.6862	830124.5943	853391.5682	674110.1523	566350.2878	868131.0388	826116.8882	700180.5966	839965.7721	854936.4452	781877.853	672810.3662	500034.4416	695917.1592	995846.9768	913257.4299	748168.8897
PG(36:4)	522996.6911	567187.8238	542199.1188	451993.4282	770499.4101	758942.7759	793115.1045	681532.8094	725619.1322	641893.0307	641447.1878	694477.632	619125.537	612068.5106	563200.7405	502321.7747	849343.9645	751045.2658	749510.1201	593439.8134	538599.5862	514354.1648	598988.6584	457179.2584	526440.9496	577835.0483	549401.9408	533149.5013	726289.9671	645776.9064	717000.0505	742588.1621	636608.7022	653851.2498	620858.1336	651402.8107
PS(O-36:3)	1033863.546	887884.1596	833594.8433	830073.5219	868909.4454	731299.8907	824301.7014	715151.112	1024750.52	965144.3287	944956.5884	897999.6199	1063051.237	1001770.407	989031.1431	883893.5003	480940.359	725917.0837	667994.208	431248.3468	1175728.884	1042529.124	969022.4216	1002378.849	1218696.036	953973.9374	873370.2997	938765.4743	746242.9293	681934.7289	628455.0774	383164.418	520684.6096	782572.7379	686414.6575	536606.3327
N-(2-hydroxy-tetracosanoyl)-1-beta-glucosyl-tetradecasphing-4-enine	10517660.47	13500295.06	10103910.67	9108769.711	10255666.91	11175818.45	10037616.36	9495685.955	10947278.55	9213776.73	12010734.01	8260444.76	16746580.32	16075197.77	15730608.41	14122590.32	5759860.104	8712536.692	6494592.828	6159903.854	14772076.41	14632074.07	14078490.65	11783655.74	13743158.3	12612386.27	11447111.22	11394348.35	6819495.236	8085199.331	3784390.222	4504905.923	6286444.016	7990485.96	9265584.386	7842141.636
PS(O-36:2)	8093197.539	8660701.528	7526561.815	8627077.694	6985252.428	7930429.327	8028472.644	7699837.692	7397783.029	7995666.922	8960537.621	8055812.487	9771554.057	10115927.07	8574571.641	9165615.388	4398472.037	7213822.795	6430602.027	4525568.018	9451985.589	9606481.009	9050449.927	9059857.861	9031483.248	9445922.155	9343302.373	9260478.983	5387696.971	6183588.855	6733285.425	4031346.534	5018444.216	6607548.55	6686825.995	6666929.123
PS(O-36:0)	273302.0842	431119.3955	265782.164	254263.8885	267739.159	271840.1118	299731.1828	272136.7425	368830.5911	330195.8319	420007.0587	312902.3709	450108.6789	350241.9099	356064.1498	333645.9215	157310.9772	308004.9923	273375.3738	177042.4822	481494.856	328757.1609	364092.4257	337208.1921	449944.4845	464178.6159	311635.3922	455507.795	198652.2816	350589.2007	267013.1848	158084.3528	181454.8054	334455.4582	300663.8117	197151.2395
FAD	136456.3509	136352.8578	115901.048	121416.3784	144628.7776	123716.9234	136145.059	129338.0738	126340.7441	134439.2604	122737.7694	124922.9897	108101.5026	119561.7083	108545.5486	95461.83394	178506.9903	168343.5131	154698.7636	189871.4157	120165.7062	131237.2943	120679.8879	106858.5593	146742.2708	155469.4465	131226.4275	144251.6151	177004.3005	186020.1724	160168.3861	176639.7974	138916.262	144364.5519	144897.2608	128022.6743
PC(36:2)	26231971	28889627.47	23949941.68	23570698.99	28343961.9	29042980.92	27043600.58	27197066.44	25781645.68	24838516.28	29044545.83	25808503.8	37860181.02	34712736.18	36599615.42	32945747.66	15149823.97	21871209.15	17397456.61	14080747.4	35755648.52	31138243.42	31223071.84	29215175.27	33873103.93	30993205.31	27803552.51	28651888.55	17976038.74	21737178.26	17926592.8	13132907.4	19761678.28	25564894.26	24652808.3	23528727.22
PS(36:2)	1376344.447	1367335.819	1121799.321	1002768.721	1612319.767	1585377.199	1353737.639	1455109.478	1652853.081	1356807.429	1426154.636	1294518.042	1610711.052	1918863.246	1474297.366	1445547.938	1155395.208	1447835.856	1159428.215	744924.3477	1384059.026	1311442.285	1243128.231	1169722.775	1520491.02	1381675.833	1275258.747	1210104.667	1326864.826	1401066.638	1153712.698	891911.9655	1129776.384	1399725.207	1309082.342	1151881.146
PS(36:0)	2239576.441	2637197.904	1833687.614	2015892.266	2746477.855	2838049.044	2656102.441	2612662.468	3065829.586	2672792.356	2954572.114	2515128.996	3266775.038	2563848.842	2757966.649	2293437.843	1644159.86	2955603.11	1945600.045	1240983.852	2708668.676	2517327.544	2515197.44	2369444.514	2603557.302	2507646.497	2046751.77	2597087.136	1986803.249	2301223.921	2039794.664	1185174.774	1688455.9	2573348.123	2860477.7	2099064.113
PS(O-18:0/20:5(5Z,8Z,11Z,14Z,17Z))	842445.1071	854943.8075	760739.9812	898818.2428	790045.8385	831965.5226	897530.8475	879671.0995	752727.6058	743819.1542	771183.1076	792632.2902	1333523.572	1349783.863	1105898.406	1227776.641	580788.1517	711747.7835	724232.9203	515680.4375	990119.5202	1105837.365	1002890.36	931445.6403	1082715.19	1048218.304	1099805.117	1056758.72	638707.6002	584683.4314	636444.0525	502708.398	553903.7354	663512.2445	705132.9426	844319.85
PS(O-38:4)	699958.2221	820875.4748	726372.595	693158.7232	686495.1032	780194.4382	905635.7629	866237.2358	708453.2144	771354.3038	837530.8032	808686.5471	952450.0936	973654.8733	939056.7657	1044750.777	453981.4215	747117.2568	650246.2469	444667.3652	866223.5095	881201.2887	889615.6867	965340.6955	899328.657	880901.2332	888259.745	895766.0637	548278.3869	646141.005	609723.0741	507736.828	499993.936	572906.8333	674296.5616	688139.1581
PC(38:6)	43009580.36	40373044.11	34991565.46	33142623.34	42869662.35	39305018.59	36549871.96	35720679.66	42289257.56	37792149.87	38049831.13	35238063.3	48098086.19	48254558	47006751.21	41838332.16	33787634.6	41118292.88	31914463.63	28178032.19	50281422.48	43339873.36	40815520.1	36725098.11	48506227.44	45220166.82	40000938.76	41922352.77	37527976.03	38888084.3	32885034.14	30436145.92	34937637.06	39630453.11	35906499.09	34142679.4
PS(38:6)	317937.5845	321559.3756	324800.6938	310961.0966	321400.455	312668.7904	350772.0167	338239.6284	332449.7698	378803.8476	359722.8317	296579.9942	350297.4541	358603.2855	295974.3597	361084.2021	347198.0697	315849.506	391286.8054	219152.3367	285974.7636	364244.4472	323914.52	385911.613	324703.2442	311660.1926	337096.8768	318365.9384	300042.798	310894.3093	313513.786	305216.8757	296732.9688	364256.3078	294130.4324	345520.333
PC(38:5)	36301709.88	35935747.96	31088661.87	28446179.63	35569087.11	33768766.15	33320615.93	30726071.33	34438161.1	31525533.16	35075904.74	29923782.62	42183599.17	41572629.32	39820069.47	37086885.06	24882828.36	31147435.49	24326918.94	20507228.88	42538377.55	37390728.88	38519344.01	33462555.11	41170582.21	39283163.18	33758393.28	36493737.82	26766647.37	29291038.86	25794125.9	22572836.29	28327154.35	32527382.14	29438579.63	27346206.05
Acetyl-CoA	216702.2847	194811.394	130773.5168	157961.1225	213219.3719	219747.0314	193112.3489	179175.5366	175641.7247	170660.8326	132069.1563	144863.0842	149916.191	166046.5878	150784.4062	161796.8372	196611.2232	187445.2392	140712.1767	189376.6287	189380.0942	180158.4426	176675.5577	160157.2955	208062.4878	184535.9108	200627.1455	159119.3474	236613.7864	218453.9535	183024.1822	215554.5093	230301.0409	210847.9089	191831.0942	164506.7802
PS(38:5)	309710.3999	344893.9195	345017.6655	246971.1727	486854.4102	380217.8884	337089.305	329318.2995	365692.2258	362048.2974	320487.8178	332998.9513	498806.1689	391573.5944	413706.08	448623.7059	289186.7805	333681.6274	327465.9281	210559.4504	474763.2666	345274.0539	398795.2317	346751.2072	478381.3368	333924.4921	344409.6185	272013.5743	345233.0442	352669.3559	285293.4248	224656.6141	301143.5187	376527.7852	331327.27	270299.7456
PC(38:4)	26352528.49	28464128.58	23820530.15	22132955.92	25826048.46	25990770.88	27461902.92	23799616.13	23747038.46	23022698.08	27245901.62	22739749.6	33237329.11	32298912.73	30360376.85	28484156.41	15831266.05	22166153.67	17423752.8	13538895.32	33665303.5	30400100.79	29157588.16	25005702.73	30004664.98	29709609.72	27896365.47	30134721.85	18131780.78	21135563.12	18707866.85	13632382.86	18128928.39	23110169.2	23212018.64	21252453.02
PS(38:4)	723766.6037	641860.2338	698480.1434	730335.7752	584387.9796	650109.745	670499.9444	703969.5433	598720.9898	679029.9234	718529.7212	725187.6068	877202.3839	848419.615	840126.7209	924429.4031	450544.2912	704314.5411	567405.9181	406004.2621	753458.6378	804015.2818	786474.1171	708098.8318	707628.5277	741786.196	772468.5396	726028.7046	535716.6403	560207.2703	561460.132	399282.9965	521254.5355	542777.7738	553729.356	574166.2146
PG(40:9)	44359.99481	43362.58933	59348.0076	48155.30901	93603.36374	82181.38058	92173.49348	62848.98531	100296.9723	79508.86557	66545.6426	92086.60512	104474.3084	115261.1892	92960.9855	81983.64569	86853.26983	93518.67871	68836.24043	60102.86346	84745.87585	70387.51395	72302.10189	52984.40653	134868.6248	90813.29199	101763.8897	90475.3902	108527.5117	66692.25217	65677.26119	56406.08376	71659.47653	77877.54131	80023.81329	65089.18268
PG(40:8)	194475.6387	162906.0304	171667.884	153271.7309	178579.4122	217788.4356	179153.2877	160908.0207	195692.504	182620.6625	187322.929	185836.4581	186137.5117	200701.2321	197343.2009	193173.6761	217562.7519	233180.3575	226474.5957	178012.5258	186713.0919	190510.7518	138988.0565	128372.799	218324.1981	232957.8829	164845.3046	198599.7673	189773.0612	233521.4484	208006.854	193254.2342	186486.4617	153354.132	149503.1095	173311.2631
PE(42:5)	2433827.897	2000684.283	1496362.49	1885552.144	2217708.033	2164460.718	2097655.278	2455566.495	1875601.511	1874657.075	1838120.067	1279252.578	2631870.082	2951788.856	2088497.351	2030873.137	1292677.458	1686735.711	1339412.164	1208036.723	2322081.77	1934099.66	2586448.027	1925321.175	2878893.737	1573921.795	2155731.095	2029287.624	1409908.181	1805336.956	1593659.229	1227284.163	1576250.075	1887916.577	1883414.748	1871952.278
PG(40:6)	491563.8943	517196.6683	540731.1033	475579.6616	666721.676	668650.6993	657393.1684	541789.2719	658726.1314	532672.6682	623282.3999	618765.2275	656181.268	568736.5436	597527.6073	509527.0892	515354.0785	614891.5766	608284.821	404891.9816	531586.8187	469955.2411	564713.4465	538764.9643	555884.7892	592680.6668	565590.8534	603569.367	599779.7004	599535.6783	525714.5198	424287.8722	475751.3014	532210.3136	563410.6809	504524.669
PE(42:4)	1429772.313	1307322.261	1287044.264	1218273.966	1674819.905	1560477.362	1263832.952	1306696.635	951215.3768	1017196.383	1646362.084	890056.3353	2098163.815	1814177.317	2042249.804	1561732.042	666024.0825	1156954.296	841579.0505	746133.7195	1840109.819	1705398.567	1534058.828	1152911.02	1655993.08	1700786.266	1461218.686	1440973.577	917569.3723	1018593.782	809582.7819	668781.3906	860721.5858	1456100.833	1126818.974	1189799.376
PG(40:5)	568368.363	630952.0063	565020.1159	617037.2536	666896.9751	702370.1624	703970.8932	713505.7733	813081.6682	797767.4977	773148.5887	661805.3514	769412.2877	816772.8545	733178.552	650409.6901	488912.3174	726628.694	655544.9812	449985.4674	639237.1967	638631.9597	664552.7079	655790.8387	664801.045	699307.7067	632025.2066	659445.1672	619831.0058	699342.1828	586415.999	417858.2719	462535.7892	534119.7977	686203.9126	665327.6624
PG(40:4)	641064.6093	774882.1628	725526.1072	637802.8688	891928.5396	851293.4969	820344.3032	941832.297	871028.7509	958622.4236	878310.7482	872210.6458	1045365.978	825130.46	758130.8634	822899.0937	502471.502	871705.1775	751380.7941	433672.1959	785474.4253	800331.4665	755503.2111	689786.4953	797083.7943	977482.6141	908877.4882	770522.6061	616608.2618	665039.3269	669801.1037	445155.2121	467282.758	689986.3142	702784.9012	701335.5286
PC(40:8)	28942308.59	27452806.21	23013812.95	20607142.26	29904220.31	26375831.55	24888205.49	22292994.13	32023141.28	28601569.15	26823825.39	23995842.66	34510020.19	35749882.06	30554970.55	26963106.6	27555898.26	28292880.5	23020783.51	20843212.94	36119355	30372896.89	28970441.13	23577342.6	34616763.54	31130244.61	26489175.72	26021590.47	29998237.5	28414826.7	25632787.13	23345832.74	25345595.67	26480508.05	24105706.26	21580199.48
PC(40:7)	31849964.12	32176280.05	28252708.18	25525129.23	33795653.83	30618689.07	28318722.81	26287403.57	31954669.36	28956633.42	30435681.21	26751403.01	38588764.45	39756773.74	37644433.76	30595985.12	25991545.97	30746672.3	25772024.48	21491563.68	38690493.01	34363681	33947396.76	27185013.17	36952411.58	36392197.58	31147618.18	30680783.96	29556249.72	30249458.9	26116099.96	21632733.4	26416084.12	27926704.53	26182933.56	24319784.67
PI(34:3)	230448.3101	247167.4585	170347.0462	238801.9856	218953.3748	182949.5344	228713.8075	225804.9818	221690.3925	218313.5531	220389.9781	115591.3838	198524.6205	227389.9809	211249.2332	195849.839	210778.6715	232138.5751	209628.6445	209401.441	222981.6658	265904.0838	227336.1507	238646.2812	214132.5091	198315.1757	260301.6355	229105.4637	241495.2714	235238.0953	239832.3791	209713.1453	172812.2929	179410.5686	178708.6409	270808.4408
PC(40:6)	31576857.37	32317851.87	25660992.8	25097327.03	34233443.8	30612069.41	28803130.62	27492012.46	30327159.88	29649307.43	29722359.37	25745531.14	39361939.37	40317611.67	33537480.16	32049407.48	20804196.45	28662872.61	22126111.99	18590830.46	38387304.31	33093894.75	33414194.58	27850868.76	35683714.65	34245354.21	29194364.77	28143777.49	24167107.45	24208895.9	22070747.33	18843929.79	23583736.46	26334667.92	27966381.38	24478440.88
PI(34:2)	2263004.831	2263566.769	2082973.194	2150585.843	2126934.748	2264926.225	2202090.249	2125832.43	2368604.076	2415800.811	2747462.161	2194527.569	2756108.394	2698079.897	2393478.849	2705404.28	1812860.951	2398264.095	2084751.889	1491827.843	2593797.486	2414308.988	2260687.326	2344158.122	2443466.607	2381723.291	2250828.991	2668869.054	1990692.915	2251539.908	2026441.427	1499329.555	1473838.896	1745766.341	1811287.548	1710880.974
PC(40:5)	17979328.34	19926012.83	15454631.96	15132121.6	18614143.39	19277616.4	18953465.71	16172535.65	17443539.83	16800150.5	18864903.49	14278845.17	23180924.18	25056402.81	21975291.52	18739817.07	10007957.7	14652700.72	11073086.67	9097991.249	21246529.3	20298121.89	20682315.25	15928155.92	20112948.23	19087813.25	17461008.11	17791174.3	12106055.3	12296559.77	12384479.75	8531920.408	11807815.24	15420669.08	17223400.66	13806517.17
PI(34:1)	1908863.153	2012951.185	1824674.157	1973961.085	1774054.97	1912306.001	1834985.908	1861642.192	1860559.204	1911411.411	2038791.496	1929410.912	2211480.743	2397459.576	1929510.385	2182020.36	1151253.983	1802798.504	1553339.9	993991.8236	2244830.598	2136811.411	2017115.633	2247653.659	2311526.33	2369056.647	2090590.834	2228419.242	1267681.323	1637698.602	1674513.684	989672.3147	1241779.638	1543652.61	1654213.667	1724310.351
[GL (22:5/16:0)] 1-(5Z,8Z,11Z,14Z,17Z-docosapentaenoyl)-2-(13Z-hexadecenoyl)-3-(6'-sulfo-alpha-D-quinovosyl)-sn-glycerol	74781.38862	42810.29778	75168.07217	39287.12085	67006.65269	53383.54134	47466.24292	61122.42082	58309.9052	50738.3832	0	41305.575	145435.7839	130251.6365	85614.94883	122797.5545	38195.07211	43674.15938	36133.32462	37219.91559	67715.33967	103166.5235	53677.35771	69100.65497	88524.05008	81513.96281	94204.62677	75926.38891	78431.12521	49337.64505	29305.44853	36164.47962	64671.87477	51640.04219	49470.99542	41207.10617
PS(40:4)	502175.1108	603084.2287	412486.6513	424919.7421	675448.0435	627059.9483	572990.0677	561142.8673	820052.9893	652354.0826	694036.9817	595070.1849	700531.8602	646223.5154	627550.6753	522368.576	404941.6085	694761.2586	546383.4448	303801.3424	629796.5073	642484.9507	486512.6546	467246.1453	613325.6152	561828.4146	462285.1519	569147.5828	517574.3654	515365.1536	465848.1359	306892.9765	414956.7074	686299.9167	574742.7216	538450.9583
PS(40:3)	548039.9067	485548.8868	434520.1831	426310.8807	667403.5506	629790.5493	542617.8405	549203.7074	779614.9525	584644.1349	740583.9119	548262.4386	633998.6095	662707.1056	629499.1807	542724.0868	363130.6151	679001.2892	463079.3118	254938.1314	572862.0054	514951.2187	463706.9891	438261.7979	555301.6749	579129.0882	431271.7919	589050.0512	484280.2714	511674.7241	428817.2869	266050.8722	310808.3554	636726.3779	585827.4367	396789.0544
PS(40:2)	548606.2401	616383.7953	453433.3263	474757.7087	807905.2039	664034.8917	575311.9558	547651.4686	705477.3102	647459.8212	895175.649	615090.0437	813513.3724	840223.4823	839359.4187	631449.3957	337099.3628	735315.2435	448384.5504	288732.9166	671579.2551	607808.5879	567899.0317	510227.9499	684707.1477	748442.8747	567403.8279	641686.9164	499726.8198	510046.6698	462640.2021	214127.2037	359062.5319	618014.9634	748973.2358	443813.0089
PC(42:10)	3348042.493	2975920.62	2327039.696	1274612.043	3214162.811	3024611.724	2722711.874	2725806.105	2961253.857	2438238.813	3089891.177	2297686.591	3082465.207	3155250.468	2719152.418	2674713.291	2391320.925	2400674.476	2139988.055	1893863.026	3634806.014	3832139.57	3766354.177	2798313.507	3411899.002	3712784.782	3554113.887	3491857.418	2951965.642	2203290.565	2406838.006	2497473.288	2316399.891	2505520.962	2507337.017	2443457.15
PC(42:8)	10254200.73	10458313.68	8231861.414	8485453.205	9255980.399	9052356.479	8033012.099	7694863.645	7775923.945	6958075.061	7039830.74	6618606.222	10294454.79	10112758.9	8736597.832	7847555.689	6077900.539	6583860.079	5720268.886	4619790.044	12620052.88	11707586.74	10245924.29	8519522.633	11146552.89	10669501.88	11350070.96	9721422.295	6552867.283	6260726.374	5718016.009	4937121.949	6966043.03	7664369.943	8235911.325	7331471.574
PI(36:4)	847535.7539	841372.0945	702023.7498	730296.2368	806076.5082	695419.1117	722230.1083	834011.1295	807421.9768	857214.3735	923648.1964	882856.5861	1032176.248	989417.0495	845232.4314	949970.2802	738810.0604	921237.9707	815070.989	576528.0617	956273.4842	862419.3747	874395.8139	839896.6154	938409.9391	966024.6915	889852.6188	974574.123	777405.3685	711602.7657	838992.2654	582783.7802	667127.2921	767949.2831	706682.2258	708589.8096
PI(36:3)	818623.5118	802126.0789	804811.173	799598.1147	878174.0055	976358.2194	804699.7918	860796.3692	839967.6553	844203.5537	946643.5681	883937.9609	951986.3041	982136.0101	894022.1255	874483.3429	560205.3205	804434.6238	718404.3253	596901.254	851407.2508	863687.984	918785.8408	980075.6868	893779.1375	894731.9497	952572.5674	956779.4089	743933.0148	747690.0352	845937.4726	578675.1819	591101.3222	785108.1462	717280.8856	751476.1266
PI(36:2)	9004780.191	9533029.437	8268921.059	9259679.372	8486797.723	9524502.446	9224252.343	8947181.443	7754928.884	8775471.466	9395870.012	8011206.858	9857577.937	10427910.34	8842749.252	9724510.492	4177140.246	7419584.651	6541625.356	4595064.953	10404059.96	10882082.67	10702356.12	10055678.31	10114556.15	10580962.6	10037655.83	10290596.2	5188155.933	6069699.196	6163012.755	3574348.699	5387896.876	7544948.718	7571128.323	7503712.6
PI(36:1)	4750637.55	5357947.839	4642846.955	5536798.993	4246277.185	5559546.934	5197166.366	5627587.673	4111022.971	4138016.767	5638772.361	4326886.425	5915827.703	5779711.563	5258026.154	5627229.94	1783977.763	3790788.45	3115165.768	2455253.255	6030398.048	6416794.6	6186357.134	5957211.064	5232264.863	6127069.341	5832199.194	5908630.008	2255891.586	2802123.83	3117088.097	1766606.598	2771200.378	4000839.216	4387497.897	4218523.754
[PC(22:6/22:6)] 1,2-di-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phosphocholine	4741519.537	3914751.313	3383930.815	3123198.471	3871619.927	3226741.53	3530788.741	2742147.175	3406976.75	3334787.837	2736982.392	2513556.94	3585725.537	4019706.514	2910445.925	2810566.131	3383909.923	2710233.206	2548264.005	1816455.309	4838014.791	4518690.832	3865305.565	3847102.977	5259692.604	4117837.738	4523884.299	3935084.485	2905107.392	2742812.502	2810291.632	2408174.778	3048710.233	3287628.309	2989202.783	2425038.066
PC(44:10)	5099829.996	4789861.337	3947000.596	3639811.903	4473947.193	4228402.881	4350090.531	3445794.798	3854732.521	3854028.529	3330853.337	3548663.189	5134685.796	4599132.515	4198365.046	3378152.981	2475150.015	3269781.189	2673881.922	1861714.634	5819649.503	5729827.077	4915767.266	4299949.886	5475404.189	4893191.114	4110724.048	4745593.463	3156221.749	2726873.39	2504635.838	2111426.646	3697695.932	3808160.345	3781524.048	3554939.236
PI(38:6)	756991.234	735010.5052	664288.2314	709762.84	731194.7189	727204.8859	693211.842	689019.1205	741741.8345	741174.0803	911878.1586	775105.2673	807124.3691	807522.2148	687509.7708	760983.2155	545269.3862	768312.2258	719192.3056	528193.7694	777597.9843	753154.8819	735901.8671	790468.2191	737065.7453	767857.5708	750248.7593	776238.2107	641664.0063	616500.736	595360.6237	554382.609	534552.2829	654033.5155	635165.7226	700544.7173
PC(44:9)	2598799.826	616576.6515	1834773.903	1792882.969	2168544.205	2248567.729	1934046.202	1785730.373	1981916.228	1955868.868	1715048.073	1494720.476	2302706.289	2180068.942	1961020.101	1732995.536	1316854.061	1457670.852	1271688.725	960568.7448	3225364.265	2689923.79	2671694.358	1949530.487	2839125.762	2521941.485	2538894.86	2859064.836	1443129.87	1499293.162	1318498.087	985864.502	1373139.068	1986452.117	1743897.5	1462672.302
PI(40:8)	209226.1019	229045.2905	201197.633	198096.5087	236180.9845	246614.8404	256645.4712	268719.9815	258559.7649	241976.6061	232135.7972	279507.5911	313960.6334	299110.3132	226726.1047	367914.6082	226994.1524	308405.4899	229781.944	169815.9488	320971.2373	248863.6816	242843.4225	251461.2118	212464.817	285584.506	309025.0034	286297.3587	244957.6144	196632.0404	218451.1995	203393.4867	199238.135	228791.4948	129631.5894	279270.1941
PI(40:7)	591389.8831	717069.258	509287.834	625366.4319	530084.0374	621237.0866	656027.3455	609035.3421	543946.7034	604449.2261	664753.0029	500217.2298	720431.529	749897.7316	687014.9099	655754.2414	374835.2664	595581.5443	582356.0237	375212.9027	704790.5365	786965.8887	716735.5912	560341.8985	686829.699	675658.2378	732294.0934	647422.3586	455168.7694	484806.8934	501973.296	392503.3202	441728.559	509844.6692	539857.5835	542382.6634
PI(40:6)	2418408.47	2858810.497	2401329.757	2691898.403	2514516.357	2986563.433	2776787.108	2751565.238	2307563.344	2517781.752	2809614.032	2408139.965	3062621.102	3066153.05	2721912.319	3035324.864	1276159.717	2330780.35	2169068.774	1385505.058	2908644.031	2872581.539	2852493.092	2844160.8	2813293.808	3157071.039	2942417.355	2945935.879	1621630.662	1800396.549	1928058.304	1199048.108	1745992.916	2163515.711	2561947.507	2543727.341
PI(40:5)	3316409.916	3743696.649	3296930.111	3543240.68	3341013.271	4045369.399	3858441.946	3896197.819	3200113.286	3266133.105	3800306.76	3359102.368	4161948.471	4559077.292	3769495.761	4448997.779	1623056.272	3035889.815	2335187.872	1846885.635	3889263.253	4024749.193	4000962.477	3905712.791	3667386.059	4102756.467	4148131.994	3998987.31	1913053.23	2399276.472	2498006.252	1366086.07	2142202.602	3081766.935	3253040.148	3402939.472
PI(40:4)	3433167.935	3970135.432	3581692.828	4029787.343	3204996.206	4409192.268	4158181.578	4192253.924	3044011.018	3336236.977	3893721.906	3279163.815	4527608.536	4934833.763	4008743.511	4193920.618	1284912.277	3088860.506	2711338.102	1804004.211	4298821.133	4404502.783	4412350.848	4082827.239	3927068.99	4644982.055	4424556.903	4439231.818	1798743.734	2338037.074	2421133.152	1197523.393	2234857.237	3047935.825	2993717.777	3477535.567
PI(42:9)	335465.9743	343158.6031	318313.5053	314213.1844	329777.3661	361613.8312	421713.7777	342266.5293	295281.1726	308929.9378	291037.6883	293280.9356	424613.6393	390680.7608	396136.528	443831.3757	189023.7986	280259.7886	281666.418	182270.2931	367790.7149	372373.1251	396836.4957	342154.5653	431837.8588	419298.1285	414761.8609	408856.2619	253302.7945	246995.8821	239966.8089	215667.737	262924.5521	283315.8426	306579.5454	368322.8931
PI(42:8)	405653.8393	439875.0729	365646.6462	352714.633	381418.5076	405206.9451	398853.712	424500.0501	351148.0602	353432.0491	381159.5162	337997.3647	594081.1078	490126.3606	451753.888	560697.9808	249729.1026	311596.7803	339493.1323	272010.8363	465639.2563	515491.4402	427482.8916	471172.925	485187.8882	465536.4771	476328.3124	515267.5651	224992.8601	254900.0325	251630.3476	200587.5799	281557.9294	308574.2334	393163.4751	386541.1097
PIP(38:5)	139956.153	125391.4224	161519.3181	188316.8703	157146.0307	150740.4651	205080.9978	189696.572	73165.26145	121441.1453	179743.5569	136164.5291	441609.2341	627252.0154	569814.8591	609784.419	36995.52627	101218.4155	130825.2524	112205.4891	90217.00572	188382.5254	261286.9214	229614.0517	193239.9099	175132.7306	204704.1083	196336.8865	23478.67408	76115.08565	164811.1008	0	25338.41046	55678.54106	71395.8728	93575.4247

metabolite_name	Mass	RT	confidence
3-Butynoate	84.02111263	13.4514614	6
4-Aminobutanal	87.06838085	10.52431444	6
Pyruvate	88.01607488	8.509418167	8
Butanoic acid	88.05241741	7.629260873	6
L-Alanine	89.04769649	14.55278982	6
Oxalate	89.99539138	18.55511952	10
(S)-Lactate	90.03174798	9.84884931	6
Glycerol	92.0473633	10.30574969	8
Furfural	96.02126157	13.46623049	5
Dihydrogenphosphate	96.96894133	13.93294911	5
N-Methyl-2-pyrrolidinone	99.06839698	7.652147863	7
2-oxobut-3-enanoate	100.0160297	7.580669569	5
Acetoacetate	102.0316736	7.630686597	6
2-Oxobutanoate	102.031709	14.68679341	6
Succinate semialdehyde	102.0317186	12.85961193	6
3-Methylbutanoic acid	102.0680864	7.572124968	5
L-3-Amino-isobutanoate	103.0633185	13.32551199	6
N,N-Dimethylglycine	103.0633279	11.86685251	6
Choline	103.0996812	20.09948554	10
L-Serine	105.0426098	15.82454848	8
D-Glycerate	106.026652	12.15826555	10
Hypotaurine	109.0196936	14.8342105	8
2,5-Dihydroxypyridine	111.0319933	7.502274665	8
Hydroxymethylphosphonate	111.9925638	14.51808335	5
Uracil	112.0273136	8.309051458	8
Glutarimide	113.0476738	4.829980071	5
Creatinine	113.0589189	9.411687414	10
2-Hydroxy-2,4-pentadienoate	114.0317566	14.62741816	6
N-Methylhydantoin	114.0429785	8.684192812	8
Maleamate	115.0269598	7.640972357	6
L-Proline	115.0632905	12.44448735	10
3-Methyl-2-oxobutanoic acid	116.0473551	7.628541277	6
4-Hydroxyhexan-3-one	116.083763	4.53712794	7
Guanidinoacetate	117.0538244	15.67506178	8
Betaine	117.0789352	10.89589532	10
L-Valine	117.0789651	12.08877714	10
Succinate	118.026665	15.5607996	10
5-Hydroxypentanoate	118.0630047	7.636688398	7
L-Threonine	119.0582645	14.34806815	8
D-Erythrose	120.0422412	13.86209748	7
4-Hydroxybenzaldehyde	122.0368144	7.581099635	5.5
Picolinamide	122.0479905	7.608767391	5
Phosphonoacetaldehyde	123.9925349	13.93177277	6
Taurine	125.0146844	15.29740915	10
2-Hydroxyethylphosphonate	126.007968	13.91826016	5
Imidazole-4-acetate	126.0429439	11.55292113	8
5-Amino-4-imidazole carboxylate	127.0382171	8.546734431	6
2,3,4,5-Tetrahydropyridine-2-carboxylate	127.0633213	12.73375576	6
N-ethylsuccinimide	127.0633392	4.806972459	7
5,6-Dihydrothymine	128.0585967	14.46055621	6
3-Isopropylbut-3-enoic acid	128.0837541	4.519040636	6
4-Oxoproline	129.0425917	9.947568855	8
L-1-Pyrroline-3-hydroxy-5-carboxylate	129.0426334	10.35452861	8
(R)-piperidine-3-carboxylate	129.078928	10.69411656	5
N4-Acetylaminobutanal	129.0789529	7.594727513	6
L-Pipecolate	129.0789833	11.97359316	8
Tetraethylammonium	129.1517712	15.53129208	7
(S)-3-Methyl-2-oxopentanoic acid	130.063064	4.540277221	6
FA methyl(6:0)	130.0994372	4.458495651	7
N-Acetylputrescine	130.1106227	20.61711598	8
5-Aminolevulinate	131.0583487	14.23651161	10
Creatine	131.0694364	14.38208479	10
L-Leucine	131.0945973	10.63208331	10
(S)-2-Acetolactate	132.042317	14.78260038	6
L-Asparagine	132.053519	15.28448979	8
FA hydroxy(6:0)	132.0786294	7.547639465	5
Ethyl (R)-3-hydroxybutanoate	132.0786579	4.574220641	7
L-Ornithine	132.0898764	21.73307973	10
L-Aspartate	133.0375503	15.09403737	8
3-nitro-2-pentanol	133.073877	7.638032904	7
(S)-Malate	134.0215426	16.56165621	10
Deoxyribose	134.0579635	8.976890896	8
Adenine	135.0545176	9.169066034	10
[FA trihydroxy(4:0)] 2,3,4-trihydroxy-butanoic acid	136.0372715	12.5807036	8
Hypoxanthine	136.0385124	9.980744376	10
Urocanate	138.0429157	10.9968507	10
Sulfoacetate	139.978006	18.72985513	5
Acetyl phosphate	139.9872981	17.00823578	6
Methylimidazoleacetic acid	140.0585987	9.355620332	6
Carbamoyl phosphate	140.9828882	15.01047463	6
Ectoine	142.0742153	12.51827603	6
FA (8:1)	142.0994379	4.369971367	5
Vinylacetylglycine	143.0582878	9.187242392	7
4-(Trimethylammonio)but-2-enoate	143.0946531	10.29038942	5
2,3-Dimethylmaleate	144.0422116	14.34633247	6
FA ethyl(6:0)	144.1150216	7.402282626	5
FA (8:0) octanoic acid	144.1150323	4.288328596	8
2-Oxoglutaramate	145.0375157	10.7860304	6
6-Amino-2-oxohexanoate	145.073905	12.83824923	6
4-Acetamidobutanoate	145.0739297	8.758472808	10
4-Trimethylammoniobutanoate	145.1102591	12.7713756	8
2-Oxoglutarate	146.0215493	16.15699306	8
(S)-2-Aceto-2-hydroxybutanoate	146.0579258	14.50305653	8
L-Glutamine	146.0691081	14.92638116	10
ethyl-(2R)-methyl-(3S)-hydroxybutanoate	146.0943128	4.529651852	5
D-Lysine	146.1054635	19.32676896	8
L-Lysine	146.1055147	22.34727881	10
L-Glutamate	147.0531828	14.69152425	10
O-Acetyl-L-serine	147.0531886	10.87965612	6
L-4-Hydroxyglutamate semialdehyde	147.0532076	11.21731742	6
N-hydroxyisoleucine	147.0895332	11.86797275	5
[FA oxo,methyl(4:0)] 2-oxo-4-methylthio-butanoic acid	148.0194006	7.588689692	6
D-Xylonolactone	148.0372104	15.59480299	6
Cinnamic acid	148.0524262	4.344392535	7
L-Methionine	149.0510856	11.23032966	10
N,N-dihydroxyvaline	149.0687715	11.0450926	5
D-Ribose	150.0527796	14.63813333	6
Phenylpropanoate	150.0680886	4.540624096	6
methiin	151.0301238	10.50796506	5
Guanine	151.0494291	12.12655521	6
Xanthine	152.0334647	11.47255889	10
D-Arabitol	152.0685328	12.81600152	6
Dopamine	153.078974	7.466095977	6
3-sulfopropanoate	153.9936154	17.06567763	7
Hydroxyacetone phosphate	154.0031021	13.91172074	5
Propanoyl phosphate	154.0031687	11.73156745	8
Imidazol-5-yl-pyruvate	154.0378277	10.6604621	8
N-Methylethanolamine phosphate	155.0346039	14.57395339	6
L-Histidine	155.069499	14.38057388	10
3-(Pyrazol-1-yl)-L-alanine	155.0695424	15.83200878	5
Orotate	156.0171526	10.49788573	10
4-Imidazolone-5-propanoate	156.0535436	11.19200606	6
[FA oxo(8:1)] 5-oxo-7-octenoic acid	156.078571	4.584886612	7
FA methyl (8:1)	156.1150952	4.266617772	5
Homostachydrine	157.1102903	9.448624321	5
Allantoin	158.0439328	14.27657644	8
FA oxo(8:0) oxo-octanoic acid	158.0942843	7.550939123	5
FA methyl(8:0)	158.1306521	4.10517028	7
Daminozide	160.0846618	7.657077237	5
FA hydroxy(8:0) hydroxy-octanoic acid	160.1099065	7.560544907	5
Ethyl (R)-3-hydroxyhexanoate	160.1099408	4.549586608	7
N6-Methyl-L-lysine	160.1211464	21.75924395	5
allylcysteine	161.051121	11.18149225	5
O-Acetyl-L-homoserine	161.0687833	9.378635506	6
4-Methyl-L-glutamate	161.0688382	12.12116839	5
L-Carnitine	161.1051753	12.79486595	10
Methyl cinnamate	162.0680431	4.197728287	7
Deoxymannojirimycin	163.0843242	14.34206673	5
4-Coumarate	164.0473754	7.422285517	8
3-Methylguanine	165.0650629	12.284763	5
7-Methylguanine	165.0650797	9.352838234	5
L-Phenylalanine	165.079045	9.780105116	10
4-Hydroxyphenylglyoxylate	166.0265954	15.82348518	4.5
Phthalate	166.0266034	13.54414635	5.5
D-Xylonate	166.0476586	13.7114938	6
3-Methoxy-4-hydroxyphenylacetaldehyde	166.0629351	4.570728193	6
Phenyllactate	166.0629357	7.605896493	6
3-deoxy-D-galactose	166.0841265	11.06007715	5
Perillic acid	166.0994208	4.513476104	8
Pyridoxal	167.0581332	7.993537709	8
Phosphoenolpyruvate	167.9823661	18.0095001	6
Butanoylphosphate	168.0184799	13.92416469	6
Urate	168.0283023	12.79162325	10
1,3,5-trimethoxybenzene	168.0786873	4.55135508	7
Iridodial	168.1150199	4.380687349	8
Phosphodimethylethanolamine	169.0502858	13.93394963	6
Nalpha-Methylhistidine	169.0851486	12.61901982	7
N(pi)-Methyl-L-histidine	169.085174	11.89621748	10
Glycerone phosphate	169.9981209	15.08250167	6
Furfural diethyl acetal	170.0942518	4.544914489	7
[PR] Limonene-1,2-diol	170.1306905	4.139653253	6
phosphoglycolohydroxamate	170.9933937	15.10631312	7
N-Butyryl-L-homoserine lactone	171.0895452	7.592406873	7
decanamide	171.1623235	4.313940612	7
sn-Glycerol 3-phosphate	172.0136517	15.00576196	10
2-Octenedioicacid	172.0735627	7.53934199	5
9-Oxononanoic acid	172.1099543	7.482642387	6
FA oxo(9:0) oxo-nonanoic acid	172.1099615	4.483799976	7
Decanoic acid	172.1463215	4.007259419	8
N-Acetyl-L-glutamate 5-semialdehyde	173.0688364	7.629066275	6
5-Guanidino-2-oxopentanoate	173.0801595	14.17902075	6
cis-Aconitate	174.0164455	18.53734794	8
N-Acetylornithine	174.1004902	13.03573135	8
L-Arginine	174.11166	23.57304351	10
FA hydroxy(9:0) hydroxy-nonanoic acid	174.1255018	7.529714468	7
Ne,Ne dimethyllysine	174.1368588	20.82111802	7
L-Citrulline	175.0957568	15.73126746	8
Ascorbate	176.0320841	15.8731239	6
3-Propylmalate	176.0684831	9.3545283	6
D-Glucono-1,5-lactone	178.0478454	15.04905139	6
beta-D-Digitalopyranose	178.0841616	8.825907712	7
N-Acetylanthranilate	179.0582365	7.626362585	5
Fructosamine	179.07941	13.44204556	7
3-(4-Hydroxyphenyl)pyruvate	180.0422567	8.294137218	8
5-Methylthio-D-ribose	180.0455427	7.552674841	6
D-Glucose	180.0633827	14.66553955	8
D-Fructose	180.0633997	13.49446871	8
myo-Inositol	180.0634341	17.11458707	8
DL-Methionine sulfone	181.0410092	11.83301947	5
L-Tyrosine	181.0739621	12.83201058	10
3-(4-Hydroxyphenyl)lactate	182.0579246	9.280736188	10
Mannitol	182.0790392	13.73278329	10
Choline phosphate	183.0660533	14.57766195	10
5-exo-Hydroxy-1,2-campholide	184.1099123	4.489408742	7
3-Phospho-D-glycerate	185.9928811	17.28725732	10
7,8-diketopelargonate	186.0892428	4.54184567	5
[FA (11:0)] undecanoic acid	186.1619608	3.961969204	7
6-Acetamido-2-oxohexanoate	187.0845322	7.652526012	6
8-Amino-7-oxononanoate	187.1209164	7.583799965	8
N-Acetylglutamine	188.0798184	10.57369065	5
N6-Acetyl-L-lysine	188.1160931	12.30424957	8
Homoarginine	188.1273657	23.79186992	7
FA hydroxy(10:0)	188.1411891	7.483147464	5
N6,N6,N6-Trimethyl-L-lysine	188.1525561	21.07763012	10
L-2-Amino-6-oxoheptanedioate	189.0638707	9.592301581	7
L-Homocitrulline	189.111345	14.85028493	5
3-Dehydroquinate	190.0477479	11.09429222	8
N5-acetyl-N5-hydroxy-L-ornithine	190.095465	13.15518829	7
a Cysteine adduct	191.0253363	15.60441957	7
N-Acetylmethionine	191.0616087	7.627428691	7
Citrate	192.0270797	18.68569212	8
Gentioflavine	193.0738039	4.585365889	5
Ferulate	194.0578264	7.489376455	8
D-Gluconic acid	196.0582356	14.1277192	10
CysteineMercaptoethanol disulfide	197.0181725	11.34611102	7
N-Acetyl-L-histidine	197.080189	8.723153612	7
FA (12:1) dodecenoic acid	198.1621784	3.923763402	5
3,6,8-Trimethylallantoin	200.0909444	12.67726182	7
FA dioxo(10:0)	200.1049057	4.524718884	5
Dodecanoic acid	200.1775964	3.876710516	10
Ovothiol A	201.0573468	15.32990405	5
Capryloylglycine	201.136462	7.546259783	7
Caproylcholine	201.1730048	7.700236832	7
Diethyl adipate	202.1206141	4.489531205	5
Ile-Ala	202.1318902	12.18374304	5
Arg-OEt	202.1430389	20.89330087	5
Indolepyruvate	203.0582347	7.640472772	6
N2-Acetyl-L-aminoadipate	203.0795068	11.5023902	8
O-Acetylcarnitine	203.1158282	10.38969346	8
L-Tryptophan	204.0899867	11.35820705	10
N6-Acetyl-N6-hydroxy-L-lysine	204.1111027	16.33894306	8
Indolelactate	205.0738419	8.083135366	8
alpha-Irone	206.167009	4.05259421	5
Cys-Ser	208.0516879	16.69054675	5
5-Hydroxyferulate	210.0529235	7.582764147	8
Sedoheptulose	210.0740441	13.84709217	5
P-DPD	212.0085838	12.96213044	5
FA oxo(12:1)	212.1413725	4.082073554	6
Dethiobiotin	214.1318559	12.13962765	6
FA methyl(12:0) dodecanoic acid	214.193301	3.850730067	5
sn-glycero-3-Phosphoethanolamine	215.055858	15.41013174	8
N-Nonanoylglycine	215.1521356	7.527116272	5
2-C-Methyl-D-erythritol 4-phosphate	216.0400496	14.24256138	8
cis-(homo)3aconitate	216.0633021	16.54166736	5
gamma-Glutamyl-gamma-aminobutyraldehyde	216.110684	8.605952442	6
O-Propanoylcarnitine	217.1314201	9.079080101	7
Pantothenate	219.1107731	8.583994696	10
2-trans,6-trans-Farnesal	220.1827032	4.162530429	5
N-Acetyl-D-glucosamine	221.0900031	11.50041425	6
CAPS	221.1084943	8.761597101	7
L-Cystathionine	222.06745	17.08094721	10
Apiole	222.0892002	7.436210124	5
Rishitin	222.1620075	3.878631531	5
N-acetyl -D- glucosaminitol	223.1055938	12.78034594	5
Aspergillic acid	224.1524913	7.606023893	5
Carnosine	226.1067005	15.37225974	8
FA (14:1) tetradecenoic acid	226.1929808	3.816508329	7
[FA hydroxy(11:2/11:2)] 2R,9R-dihydroxy-3S,4S,7S,8S-diepoxy-5E,10-undecadien-1-ol	228.0998502	7.534612661	7
(-)-11-hydroxy-9,10-dihydrojasmonic acid	228.1365888	4.537820291	7
L-isoleucyl-L-proline	228.1474212	7.550947449	5
Butenylcarnitine	229.1314777	7.680037656	7
N-Decanoylglycine	229.1678306	4.497980433	5
[SP (14:0)] 1-deoxy-tetradecasphinganine	229.2405697	7.537401459	7
D-Ribose 5-phosphate	230.0190944	15.83613048	10
Ile-Val	230.1629548	7.576492011	5
Isovalerylglutamicacid	231.1107074	7.70773174	5
O-Butanoylcarnitine	231.1470404	8.103847437	7
(3R)-hydroxy-N-acetyl-(L)-arginine	232.1172104	12.68267433	7
Ile-Thr	232.1423501	7.643029989	7
Bakkenolide A	234.1619253	4.01236883	5
Met-Ser	236.08288	10.50059839	5
Ile-Lys-Lys-Ser	237.1582971	19.36534146	7
HEPES	238.0982968	9.842432509	8
Dihydrobiopterin	239.1022883	9.995592691	8
L-Cystine	240.0237316	16.34662443	8
Hexadecanal	240.2453532	3.986376004	6
D-myo-Inositol 1,2-cyclic phosphate	242.0190702	17.46799584	7
6-deoxy-5-ketofructose-1-phosphate	242.0191999	16.26908733	7
Pentadecanoic acid	242.2245858	7.421092401	5
FA methyl(14:0)	242.2246524	3.791073907	5
Cytidine	243.0856022	11.65219148	8
Tiglylcarnitine	243.1471691	7.561206497	5
N-Undecanoylglycine	243.183466	4.381635506	7
Pseudouridine	244.0695258	11.81814553	6
Glycerophosphoglycerol	246.0504329	12.70290974	7
5-6-Dihydrouridine	246.0852938	9.871197063	7
N2-(D-1-Carboxyethyl)-L-arginine	246.1328967	16.67157039	6
N-Succinyl-L-glutamate	247.0691278	16.91522808	6
5-Hydroxyindoleacetylglycine	248.0795043	7.517889526	6
4,4'-Sulfonyldiphenol	250.0299612	4.232528445	5
Muramic acid	251.1006426	13.07674069	7
Deoxyadenosine	251.1019849	7.674696598	10
3-beta-D-Galactosyl-sn-glycerol	254.100366	13.06940814	6
FA(16:1)	254.2246353	3.773567388	6
CoA	255.7051839	7.620818248	8
Hexadecanoic acid	256.2402134	3.765972475	10
sn-glycero-3-Phosphocholine	257.1027634	13.92488371	8
2-Hexenoylcarnitine	257.1623367	4.536929604	5
N-Lauroylglycine	257.199214	4.237478722	5
D-Glucono-1,5-lactone 6-phosphate	258.0141498	18.02115429	6
glycerophosphoserine	259.0457239	15.43699723	5
D-Glucose 6-phosphate	260.0294923	16.96407648	10
D-Fructose 6-phosphate	260.0295345	16.19382032	10
Thiamin	264.1044168	20.42102041	8
p-aminobenzoyl glutamate	266.0902052	14.71525688	5
sodium dodecyl sulfate	266.1551324	3.653928983	7
Tributyl phosphate	266.1646712	3.918858708	7
[FA (17:1)] 7-heptadecynoic acid	266.2245966	3.786858922	5
[FA (18:2)] 3Z,13Z-octadecadien-1-ol	266.2610562	3.934222375	5
Adenosine	267.0968112	8.573919851	8
FA methyl(16:1)	268.2403494	3.752922108	5
Octadecanal	268.276642	3.925293515	5
FA oxo(16:0)	270.2195049	3.815674995	5
FA (17:0)	270.2558865	3.750378628	5
Tridecanoylglycine	271.2147374	4.118777258	7
FA hydroxy(16:0)] hexadecanoic acid	272.2352046	3.781984783	5
Val-Arg	273.1802847	13.12389263	5
Hexadecasphinganine	273.2669989	7.687762191	7
6-Phospho-D-gluconate	276.0247943	18.03517054	6
Glu-Glu	276.0958892	16.97095126	5
[FA (18:3)] 6Z,9Z,12Z-octadecatrienoic acid	278.2247427	3.760675913	8
[FA (18:1)] 9Z-octadecenamide	281.2719593	4.073484056	5
FA (18:1)	282.2559311	7.457361946	5
[FA (18:1)] 9Z-octadecenoic acid	282.2560033	3.742874267	8
N2-Acetyl-L-aminoadipyl-delta-phosphate	283.0457671	15.07614074	6
Octadecanamide	283.2871038	3.704581342	5
Octadecanoic acid	284.2714905	3.726325353	8
FA dimethyl(16:0)	284.2714957	7.448399983	5
Ile-Arg	287.1957072	11.84057182	5
D-Sedoheptulose 7-phosphate	290.0402326	16.3486907	6
12-OPDA	292.2040398	3.908113824	6
Embelin	294.1832628	7.436892004	5
Phytuberin	294.1832851	3.85803587	5
2-Methylaminoadenosine	296.1230133	19.52991457	5
[FA (18:1)] 9R,10S-epoxy-12Z-octadecenoic acid	296.2350726	3.806856161	6
FA oxo(18:0)	298.250947	3.780528613	5
FA methyl(18:0)	298.2872965	3.732939131	5
[PC acety] 1-acetyl-sn-glycero-3-phosphocholine	299.1134237	10.34765367	5
FA hydroxy(18:0)	300.2665551	3.770228621	5
N-Acetyl-D-glucosamine 6-phosphate	301.0562932	15.07092809	6
(Ac)2-L-Lys-D-Ala	301.1637107	8.72620403	5
[SP amino(18:0/2:0)] 2S-aminooctadecane-1,3R-diol	301.2985195	7.667283742	7
PIPES	302.060441	14.87144798	5
[PR] Abietic acid	302.2248213	3.775593809	8
FA (20:4)	304.2403012	3.75010774	6
Glutathione	307.0838633	14.38464445	6
Stealthin C	307.0839239	16.26634643	5
Icosadienoic acid	308.2717123	3.718084556	6
[FA (20:1)] 11Z-eicosenoic acid	310.287503	3.705429158	6
FA (20:0)	312.3030166	3.701638766	6
Margaroyl-EA	313.2977303	3.7174	7
1-O-Hexadecyl-sn-glycerol	316.2978914	4.014363799	5
3-Deoxy-D-manno-octulosonate 8-phosphate	318.0349871	16.02993659	6
Ile-Gly-Met	319.156982	11.10327375	7
octulose 8-phosphate	320.0508329	16.7678699	5
CMP	323.0517954	15.83337273	10
UMP	324.0358989	15.16240574	10
Ajmaline	326.1989436	10.56216989	7
Margaroylglycine	327.2774068	3.686577222	5
Docosahexaenoicacid	328.2398744	3.72624311	5
[FA (22:5)] 7Z,10Z,13Z,16Z,19Z-docosapentaenoic acid	330.256262	3.71590975	6
dAMP	331.0680261	12.32476004	8
[FA (22:4)] 7Z,10Z,13Z,16Z-docosatetraenoic acid	332.2718551	3.715141879	6
sn-glycero-3-Phospho-1-inositol	334.0664708	16.20127196	7
Dihydroneopterin phosphate	335.0629486	15.8629161	8
Glu-Ser-Thr	335.132972	15.64412398	5
5beta-Pregnane-3alpha,17alpha,20alpha-triol	336.2668074	3.561380495	5
[FA (22:1)] 13Z-docosenoic acid	338.3188734	3.669081296	6
Docosanoic acid	340.3342187	3.66096124	8
Sucrose	342.1162605	15.4699405	8
1-O-Octadec-9-enyl glycerol	342.3134771	3.950175209	5
1-O-Octadecyl-sn-glycerol	344.3291583	3.968516243	5
dGMP	347.063028	14.97342612	8
AMP	347.0631558	13.43607726	10
IMP	348.0471335	15.4307873	8
nonulose 9-phosphate	350.0614011	16.85475608	7
N-(11Z,14Z-eicosadienoyl)-ethanolamine	351.3139156	3.924375916	5
N-(11Z-eicosaenoyl)-ethanolamine	353.3294474	3.940853026	5
Trypanothione disulfide	360.6443714	19.51238883	8
GMP	363.0580945	16.80011904	8
[ST] (5Z,7E)-9,10-seco-5,7,10(19)-cholestatriene	368.3443386	5.049482252	7
Tetracosanoic acid	368.3655272	3.634224264	6
[SP] Sphinganine-1-phosphate	381.2645532	7.656192814	8
Ibuprofenacylglucuronide	382.1626175	8.146718703	5
Succinyladenosine	383.107608	14.65102217	5
(+)-Adlumine	383.1365974	10.64746665	7
S-Adenosyl-L-homocysteine	384.1216967	12.92091055	8
N-palmitoyl methionine	387.2806828	3.598754064	5
Bis(2-ethylhexyl)phthalate	390.2770084	3.760223527	7
Ala-Met-Asp-Gly	392.136619	10.58602885	5
[ST hydrox] 3alpha,7alpha-Dihydroxy-5beta-cholan-24-oic Acid	392.2929066	4.372760447	10
Phe-Asp-Asp	395.1333955	17.40929675	5
S-Adenosyl-L-methionine	398.1373564	15.83137602	10
Tris(butoxyethyl)phosphate	398.2435465	3.845051528	7
nocardicin F	399.1061133	14.32509033	5
dTDP	402.0230145	14.54316176	6
CDP	403.018343	17.16972378	6
UDP	404.0021744	16.67685435	8
Glu-Glu-Lys	404.191385	27.77255696	7
Glu-Glu-Glu	405.1382138	18.34827623	5
[PA(16:0/0:0)] 1-hexadecanoyl-2-sn-glycero-3-phosphate	410.2431067	4.367212609	5
dADP	411.0347702	14.06441911	6
Chitobiose	424.1688188	16.18551303	6
Asp-Cys-Cys-Ser	426.0876157	17.04089422	5
dGDP	427.0295277	16.31592279	8
ADP	427.0295795	15.01254381	8
CMP-2-aminoethylphosphonate	430.0655388	15.0737984	6
Asn-Val-Asn-Ser	432.1962785	8.75740607	5
Ala-Leu-Met-Val	432.2413808	8.316302044	7
PA(18:2(9Z,12Z)/0:0)	434.2429114	4.319984969	5
PA(18:1(9Z)/0:0)	436.2584662	4.31732646	5
[PE(16:1)] 1-(1Z-hexadecenyl)-sn-glycero-3-phosphoethanolamine	437.2905846	4.335856095	5
PE(16:2)	439.3054686	4.422053652	5
GDP	443.0245706	18.1552898	8
CDP-ethanolamine	446.0604132	16.25843501	6
Ala-Asp-Asp-Gln	447.1597774	15.87114033	5
Chenodeoxyglycocholate	449.3146285	4.374784181	5
Formylmethionyl-leucyl-phenylalanine methyl ester	451.2146083	3.9357098	7
PC(14:1)	451.3065445	4.286018322	5
FMN	456.1047898	10.94512155	6
Vindoline	456.2252174	4.322189492	5
Ile-Ile-Ile-Val	456.3317691	7.57902392	5
[PA(20:4(5Z,8Z,11Z,14Z)/0:0)] 1-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycero-3-phosphate	458.2432947	4.303502688	7
Phe-Val-Pro-Pro	458.2537183	7.621182908	5
Asn-Val-Asn-Asn	459.2081809	8.825489768	7
N6-(1,2-Dicarboxyethyl)-AMP	463.074367	18.60468705	6
LysoPE(18:1)	465.3219541	4.245674388	5
Cholesterolsulfate	466.3122018	3.551112965	5
dCTP	466.990381	17.38959346	6
[LysoPC(14:0)] 1-tetradecanoyl-sn-glycero-3-phosphocholine	467.3013128	4.468319131	5
[PE(O-18:2)] 1-octadecyl-sn-glycero-3-phosphoethanolamine	467.3371635	4.327228478	5
2-(alpha-Hydroxyethyl)thiamine diphosphate	468.0638024	13.14125046	8
10-Formyldihydrofolate	471.1500475	14.41049395	5
PIP(16:0/20:2(11Z,14Z))	471.2617161	4.159519121	7
CMP-N-trimethyl-2-aminoethylphosphonate	472.1131525	13.93649915	5
Ile-Phe-Pro-Pro	472.2689176	7.62193209	5
LysoPE(18:2)	477.2857072	4.328436485	5
LysoPC(O-16:1)	479.3377422	4.309908952	5
LysoPE(18:0)	481.3171706	4.375607337	5
[LysoPC(16:2)] 1-hexadecyl-sn-glycero-3-phosphocholine	481.3527107	4.384710991	7
dTTP	481.9895678	15.95083169	6
Ala-Met-Met-Met	482.1684156	9.747958126	7
CTP	482.9846795	18.41446732	8
PIP(38:4)	483.2619084	4.095299598	5
UTP	483.9687674	17.99523324	8
Glucosylgalactosylhydroxylysine	486.206409	7.610495597	5
CDP-choline	488.1078318	15.042385	8
dATP	491.0009975	15.39464183	8
LysoPC(16:1(9Z))	493.3175716	4.383145526	5
PE(P-20:0)	493.3533508	4.179765053	5
LysoPC(16:0)	495.333001	4.352875178	5
Ala-Leu-Phe-Phe	496.2689374	7.625590217	5
Ala-Met-Asp-Tyr	498.1789116	10.35281266	5
Ala-Phe-Val-Tyr	498.2484428	7.627234858	5
Taurodeoxycholate	499.297176	4.128271143	7
Cys-Leu-Cys-Tyr	500.1765806	10.46166387	5
Palmitoyl-CoA	502.6724487	7.623792682	6
LysoPE(20:2)	505.3175253	4.352156892	5
ATP	506.9956385	16.37877759	8
LysoPE(20:1)	507.3332755	4.340784163	5
LysoPE(20:0)	509.348303	4.306102015	5
LysoPC(O-18:2)	509.3844712	4.282753257	7
N-(Tetradecanoyl)-sphing-4-enine	509.4810407	3.78524797	5
Glu-Met-Met-Thr	510.1822584	14.61847656	5
PS(O-18:0)	511.3275466	4.034907724	5
Ala-Phe-Asp-Tyr	514.2060634	13.92958163	5
Asn-Gly-Tyr-Tyr	515.2013895	7.520768141	7
Octadecanoyl-CoA	516.6876254	4.554194002	6
PC(18:2)	519.3328565	4.310766282	7
PS(18:2(9Z,12Z)/0:0)	521.2756827	4.061136571	5
LysoPC(18:1)	521.3477341	4.28686423	5
GTP	522.9908504	19.45048554	6
LysoPC(18:0)	523.3643349	4.26530611	5
LysoPE(22:6)	525.2855278	4.229535359	5
Cer(d34:2))	535.4967218	3.757819503	5
[SP (16:0)] N-(hexadecanoyl)-sphing-4-enine	537.5121702	3.752202848	7
Glu-Met-Met-Met	540.175377	13.82625077	5
Cyclic ADP-ribose	541.0602324	13.65266746	5
Arg-Cys-Cys-Tyr	543.192802	14.54613896	5
alpha-D-Galactosyl-N-acetyllactosamine	545.1957123	16.17450398	5
[SP hydroxy(16:0)] N-(hexadecanoyl)-4S-hydroxysphinganine	555.5225915	3.786352843	5
Cer(d36:1)	565.543259	3.756699581	5
UDP-D-galactose	566.0549872	16.64449877	10
[PC(22:6)]	567.3324533	4.232537377	5
LysoPC(22:5)	569.3479314	4.221648395	5
LysoPC(22:4(7Z,10Z,13Z,16Z))	571.3634698	4.212624806	7
PI(18:2)	596.2963034	4.072730088	5
[PI(18:1)] 1-(9Z-octadecenoyl)-sn-glycero-3-phospho-(1'-myo-inositol)	598.3117511	4.047615442	5
1-(14-methyl-pentadecanoyl)-2-(8-[3]-ladderane-octanyl)-sn-glycerol	602.526511	3.532584549	5
GDP-mannose	605.0774655	18.53892663	10
UDP-N-acetyl-D-glucosamine	607.0818192	15.22352233	10
CHAPS	614.3961431	8.164758574	7
[PR] 4-Hydroxymytiloxanthin	614.3962036	4.86549272	7
Arg-Phe-Phe-Arg	624.3495299	14.9454728	5
N-(hexadecanoyl)-hexadecasphing-4-enine-1-phosphoethanolamine	632.4899509	4.031234983	5
Sphingomyelin(d18:1/12:0)	646.505149	4.010260971	5
PA(P-34:2)	656.478465	3.566935352	5
NAD+	663.1092622	13.62616461	6
NADH	665.1248395	13.25004431	8
PA(34:2)	672.4726928	3.556776428	5
SM(d32:1)	674.5360829	4.059348384	5
PA(O-36:3)	684.509787	3.556765443	5
PE(32:1)	689.4989978	3.553595517	5
PA(36:4)	696.4729214	3.545173021	5
PA(36:3)	698.4879203	3.56048334	5
PE(P-34:2)	699.5203728	3.778382111	5
PA(36:2)	700.5040639	3.551921119	5
SM(d34:2)	700.5517191	4.073641875	5
SM(d34:1)	702.5677548	4.037266665	7
Lacto-N-tetraose	707.2479867	16.58568862	5
PC(P-32:2)	713.5369013	3.85454065	5
PE(34:2)	715.5164351	3.807510574	5
Trp-Trp-Tyr-Tyr	716.2949253	10.52879063	5
PA(38:6)	720.4733136	3.539438201	5
PA(38:5)	722.4876406	3.540638212	5
PA(38:4)	724.5040295	3.548928852	5
[PR] Coenzyme Q8	726.558854	4.212690257	6
PE(P-36:2)	727.5527906	3.760528856	5
PE(P-36:1)	729.566383	3.795648379	5
PC(32:0)	733.5611303	3.8648634	5
PE(36:5)	737.500116	3.540428869	7
PE(36:4)	739.5144311	3.777058138	5
PC(P-34:2)	741.5686456	3.822871951	5
NADP+	743.0761586	16.70728095	6
PE(36:2)	743.5468107	3.814179664	5
N-(2-hydroxy-docosanoyl)-1-beta-glucosyl-tetradecasphing-4-enine	743.5897133	3.825065861	5
NADPH	745.0920355	17.42293086	8
PG(34:2)	746.5098419	3.517542292	5
PC(34:2)	757.5619095	3.830229057	7
PS(34:2)	759.503997	3.568078055	5
PS(34:0)	763.5357863	3.52116626	5
PG(36:4)	770.5102761	3.511848797	7
PS(O-36:3)	771.5425641	3.531116659	5
N-(2-hydroxy-tetracosanoyl)-1-beta-glucosyl-tetradecasphing-4-enine	771.6211691	3.789872357	5
PS(O-36:2)	773.5585214	3.564273592	5
PS(O-36:0)	777.5869108	3.521086189	5
FAD	785.157632	11.07539358	8
PC(36:2)	785.5930847	3.792091463	5
PS(36:2)	787.5352047	3.543523996	5
PS(36:0)	791.5682552	3.514275193	7
PS(O-18:0/20:5(5Z,8Z,11Z,14Z,17Z))	795.540563	3.554912195	5
PS(O-38:4)	797.5584237	3.559069923	5
PC(38:6)	805.5629938	3.766121934	5
PS(38:6)	807.5040656	3.557492264	5
PC(38:5)	807.5773945	3.761305683	5
Acetyl-CoA	809.1265071	12.08945201	6
PS(38:5)	809.5198683	3.549758527	5
PC(38:4)	809.5932099	3.760541869	5
PS(38:4)	811.5353843	3.565395926	5
PG(40:9)	816.4946138	3.48315263	5
PG(40:8)	818.5098976	3.497007299	5
PE(42:5)	821.5936737	3.760194292	5
PG(40:6)	822.5405417	3.504616677	5
PE(42:4)	823.6087894	3.751281298	5
PG(40:5)	824.556938	3.505760565	5
PG(40:4)	826.5725056	3.509950405	5
PC(40:8)	829.5635151	3.745355677	5
PC(40:7)	831.5781031	3.742373161	5
PI(34:3)	832.5100918	3.578465457	5
PC(40:6)	833.5938476	3.730525592	5
PI(34:2)	834.5263248	3.583663407	5
PC(40:5)	835.6076038	3.740515037	5
PI(34:1)	836.540673	3.578809754	5
[GL (22:5/16:0)] 1-(5Z,8Z,11Z,14Z,17Z-docosapentaenoyl)-2-(13Z-hexadecenoyl)-3-(6'-sulfo-alpha-D-quinovosyl)-sn-glycerol	839.4995699	3.521115236	5
PS(40:4)	839.567287	3.515773172	5
PS(40:3)	841.5825395	3.513885368	5
PS(40:2)	843.5979173	3.516147155	5
PC(42:10)	853.5621324	4.12427357	5
PC(42:8)	857.59231	3.712714225	5
PI(36:4)	858.5257076	3.569497147	5
PI(36:3)	860.5412128	3.570609352	5
PI(36:2)	862.5582116	3.572465453	7
PI(36:1)	864.5716394	3.572097964	5
[PC(22:6/22:6)] 1,2-di-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phosphocholine	877.5630366	3.694482527	5
PC(44:10)	881.5935969	3.655923152	5
PI(38:6)	882.5260163	3.563528455	5
PC(44:9)	883.6078566	3.698989025	5
PI(40:8)	906.5262509	3.558969923	5
PI(40:7)	908.542014	3.560199576	5
PI(40:6)	910.5587553	3.555325621	5
PI(40:5)	912.5737857	3.558312213	5
PI(40:4)	914.5893381	3.557557728	5
PI(42:9)	932.5414118	3.550017889	5
PI(42:8)	934.5569039	3.54127521	5
PIP(38:5)	964.5072753	7.650329577	5