metabolite_name	1_1.cdf	3_1.cdf	6_1.cdf	11_1.cdf	13_1.cdf	16_1.cdf	21_1.cdf	23_1.cdf	26_1.cdf	31_1.cdf	33_1.cdf	36_1.cdf	41_1.cdf	43_1.cdf	46_1.cdf	48_1.cdf	51_1.cdf	55_1.cdf	59_1.cdf	63_1.cdf	67_1.cdf	69_1.cdf	70_1.cdf	71_1.cdf	73_1.cdf	74_1.cdf	75_1.cdf	77_1.cdf	79_1.cdf	81_1.cdf	83_1.cdf	85_1.cdf	87_1.cdf	89_1.cdf	91_1.cdf	93_1.cdf	95_1.cdf	97_1.cdf	98_1.cdf	100_1.cdf	101_1.cdf	102_1.cdf	103_1.cdf	106_1.cdf	107_1.cdf	108_1.cdf	111_1.cdf	112_1.cdf	113_1.cdf	116_1.cdf	117_1.cdf	118_1.cdf	121_1.cdf	122_1.cdf	123_1.cdf	124_1.cdf	126_1.cdf	127_1.cdf	129_1.cdf	131_1.cdf	132_1.cdf	133_1.cdf	134_1.cdf	136_1.cdf	137_1.cdf	139_1.cdf	141_1.cdf	142_1.cdf	143_1.cdf	144_1.cdf	147_1.cdf	148_1.cdf	150_1.cdf	153_1.cdf	154_1.cdf	155_1.cdf	156_1.cdf	159_1.cdf	160_1.cdf	162_1.cdf	165_1.cdf	166_1.cdf	167_1.cdf	170_1.cdf	171_1.cdf	172_1.cdf	175_1.cdf	176_1.cdf	177_1.cdf	180_1.cdf	181_1.cdf	182_1.cdf	185_1.cdf	186_1.cdf	187_1.cdf	189_1.cdf	190_1.cdf	191_1.cdf	193_1.cdf	194_1.cdf	195_1.cdf	198_1.cdf	2_1.cdf	7_1.cdf	12_1.cdf	17_1.cdf	22_1.cdf	27_1.cdf	32_1.cdf	37_1.cdf	42_1.cdf	47_1.cdf	52_1.cdf	56_1.cdf	60_1.cdf	64_1.cdf	68_1.cdf	72_1.cdf	76_1.cdf	78_1.cdf	80_1.cdf	82_1.cdf	84_1.cdf	86_1.cdf	88_1.cdf	90_1.cdf	92_1.cdf	94_1.cdf	96_1.cdf	99_1.cdf	104_1.cdf	109_1.cdf	114_1.cdf	119_1.cdf	125_1.cdf	130_1.cdf	135_1.cdf	140_1.cdf	145_1.cdf	151_1.cdf	157_1.cdf	163_1.cdf	168_1.cdf	173_1.cdf	178_1.cdf	183_1.cdf	188_1.cdf	192_1.cdf	196_1.cdf	199_1.cdf
PYRUVIC ACID	791257.3774	328028.8715	469832.462	224887.4205	401068.1915	249052.3081	421245.8393	200601.7274	240966.7529	213706.4335	512251.8273	217797.0804	503304.1401	434422.5041	306032.8708	311194.2855	489262.4428	211128.471	237241.5492	202247.9356	176645.9314	247472.134	142215.788	162865.4557	138069.5694	142207.5816	190780.1131	303619.177	257115.6263	203426.6058	287195.5006	197631.8487	1018559.15	403834.109	498732.5149	332128.8392	308058.2233	875283.3541	251187.1618	344216.4338	174755.3631	107944.0343	865583.4926	312892.7786	391697.0319	450849.4487	505768.5342	370427.8353	882376.8244	259457.0076	316409.5021	412732.2095	226999.9654	748243.5795	310923.2963	201632.7285	131773.2102	416493.4327	286908.421	655308.8443	298144.7162	167862.8319	264167.5531	381011.7743	215051.2148	346421.5996	117070.6003	209733.2532	373121.7768	571523.7237	150795.7045	202119.896	280956.0867	182944.5786	197956.6705	483457.4708	203661.2207	83642.07108	175022.0226	93992.02195	142261.1174	378096.8498	152044.4444	147669.7561	169536.3752	186245.8585	573101.0335	236339.5119	561199.0158	295388.7272	241391.9433	331226.0574	444345.6165	330823.5665	230779.9685	296626.0686	249572.5131	192299.8951	469035.102	604970.2345	349391.9361	239082.2303	223591.8395	250430.3631	191513.7272	788859.6141	166251.1234	334554.2544	225752.2681	387538.6408	199947.0753	199978.0412	145955.0324	120099.5595	168974.1004	233076.9634	231050.191	223015.4057	267863.5984	189020.54	188398.8313	667024.1693	185633.5086	219696.4126	349156.2758	405870.2705	264817.2532	405735.2661	248988.5071	181677.1897	457505.3499	147751.7053	251190.3346	216356.7307	128804.9689	216266.4956	215445.5811	225738.6487	258004.9348	342953.2536	180752.0064	247421.5954	163977.784	166562.6667	153035.1052	206245.9406	211995.7255	271547.2314	212604.8809	449998.329
GLYCOLIC ACID	7172.773301	9685.394913	8697.300437	7107.545035	7525.851924	8140.962597	9008.228149	6843.592296	8478.361039	8118.649585	10926.15151	9099.299135	6640.348549	9625.847723	8525.156011	9689.561639	9728.711905	8268.448977	8431.522913	8056.626408	9697.594078	6773.442147	9540.729413	11035.20816	7503.618109	8527.46905	12707.53081	10499.66734	10318.27806	8911.75289	9467.298704	10088.74435	16701.42357	11813.44782	12497.01288	15985.64377	9739.171347	14377.94528	11855.98935	17758.07251	19654.37241	11277.1001	16475.51831	16275.20992	14611.16641	16615.2449	12013.63653	12948.39178	12256.74902	12218.22894	13350.30855	11285.16065	10504.64211	12028.66568	13106.01489	12085.7002	9518.571056	12442.22796	13224.57954	14320.99463	12055.98298	11085.82632	14037.3868	21024.00505	16286.35522	12815.59811	13695.03493	10746.31917	11760.43423	17950.19618	12238.15282	13133.21589	16978.43831	12156.17418	12907.06956	18362.1446	15798.75816	14343.83923	13686.82811	16774.65471	15936.68339	14005.67631	17958.28012	15711.15085	12849.29447	19629.12658	21157.04443	13708.82929	13831.26112	20073.65296	15521.10219	16736.01533	18739.71005	18758.20387	14830.23448	21716.07392	18506.19317	14381.66644	18556.26822	24318.70952	16510.00801	16912.55724	6197.854589	6017.441534	7564.357791	8060.471708	7693.708405	8452.167343	7082.249733	7489.388207	7907.24113	8209.923753	7676.672156	7627.983647	7179.234528	11318.20826	7159.438551	8803.491955	9147.977072	8070.423008	9864.387888	11936.62505	7198.278363	7031.497331	9428.450189	8626.967121	10741.77174	9192.342121	9671.506299	9174.627061	14093.59242	11208.73124	12173.03037	10619.50673	11994.17486	13119.88502	14124.42728	10953.5395	14461.3252	12839.33583	13924.33857	13822.99716	16284.7693	17272.71163	17234.26213	13736.03641	16489.88779	16515.42243	18380.3991	17681.83416
2-OXOBUTYRIC ACID	125909.1045	106141.7932	110751.1694	190121.6863	78007.71176	135387.2562	104244.6896	93093.11037	76197.73391	73800.25111	247229.8198	98294.25465	131598.328	81596.30244	75021.14431	86042.91658	67652.90467	42286.80034	101425.6847	60483.22288	58832.25738	116511.6551	82539.39697	76468.32623	82088.10095	89407.90254	56109.34649	34280.94588	102879.9013	58232.71437	108128.6395	102214.7503	148609.8102	117631.7783	114398.7685	55600.02064	153767.7537	138879.3855	93571.61462	102929.7319	59154.92958	88939.57726	127904.5974	38687.76756	77429.78492	152001.956	136311.391	89992.38538	168252.1702	70487.01318	106674.8547	81107.42118	121314.5345	137274.3957	108919.3795	129878.2921	79462.69867	97582.99748	66309.50259	126426.1091	160472.8387	91368.35472	112659.9164	134599.6246	98933.74805	52694.34238	89433.46707	186906.0055	75389.86055	140884.1325	113219.324	114548.3404	144311.167	86728.6349	80477.19498	255472.9553	76598.889	49159.99107	90298.34552	52146.69464	73713.08651	104794.8948	49335.6038	94755.99231	74991.32547	76428.56737	143458.066	125926.1915	148821.1688	150882.6061	111350.7525	80358.26615	160107.5871	160025.2023	101134.4171	58731.00973	69871.17298	60440.37578	70715.4519	85544.36317	192967.7897	25510.26809	48194.30915	96560.57899	66731.88484	170954.9248	45771.63231	68376.97139	58077.56379	99644.73563	51110.09321	50747.98952	103525.5626	106291.2443	39804.87973	83278.65038	117002.9571	70689.83225	48755.6347	53381.15557	65072.9851	133593.658	58887.47646	109999.6112	62312.31231	111437.2587	70042.85642	89629.52268	69452.12255	66298.63474	77633.74739	80010.30772	65971.73421	94949.8454	47421.08865	63446.53102	73986.68703	114085.886	84158.02606	93104.20057	47371.79786	72524.05711	40214.67189	50606.6186	64041.2097	78405.81271	45724.33864	90368.75942	48235.81626	110192.393
ALANINE	64218.22104	33596.11774	53990.03332	36238.43496	27438.71905	34188.13339	53918.15189	31472.58362	34609.34085	49124.02055	83247.33382	34911.3197	52346.51451	42161.92748	37479.14143	45837.64338	35827.11486	45812.94931	31507.80012	24901.29395	46125.16167	36029.77557	37574.84441	37202.68727	29029.66849	30435.47047	26414.70118	38421.15946	28456.50426	20015.7345	45264.69321	23798.91963	78327.21853	67678.07964	74895.93696	41666.90556	50873.05555	123617.9934	22576.33201	98494.88084	25633.43746	24498.12336	71488.87419	37050.69237	56173.30127	76459.11679	49100.36814	45733.15782	59834.3747	44177.98151	48443.47253	33176.82938	36671.5046	64194.35468	32767.10805	27454.69696	23040.26865	43055.46696	34836.27503	112898.5589	55286.69644	31703.0476	34044.79129	112146.251	52568.57074	20726.7087	29410.12524	33019.18173	24189.20083	32214.64114	26684.51661	29386.21736	59543.6061	27889.8571	48538.76853	83157.26447	57920.99161	9288.693836	36507.00558	20770.59651	25286.17348	54416.76803	47474.38626	29351.43765	28847.4439	29761.93859	34211.21407	40059.8738	66635.61336	58590.99186	36297.42248	32490.9539	71631.1854	23477.21585	29342.26498	42132.6216	21102.47501	23299.63851	31303.79009	76562.90917	61480.31727	26476.34147	62431.10302	62713.1025	66529.38526	130939.6615	36398.55971	72303.2156	42585.77917	118621.9664	56965.46929	28191.26747	36567.59004	21673.29851	51535.01109	29672.484	39262.26112	47271.48237	39299.90539	51177.63666	41243.19547	112579.6812	48667.36643	40522.75239	90516.05954	73807.88446	73758.2085	69443.56213	43740.58017	32536.20344	93570.90149	48719.11475	77322.49791	55892.55715	52392.3431	36884.27229	75862.02922	38376.0809	64154.6992	101846.7417	56928.63142	59269.813	53093.28356	50873.93232	34487.18173	41301.62491	50778.73651	88007.89198	48357.58221	80922.61064
GLYCINE	34749.39333	44010.96946	49413.92277	30924.41653	31042.96552	43487.29101	29192.77464	37011.67548	42556.62283	28126.67116	47124.09212	15952.13924	23364.51699	13176.66714	18588.70323	48153.00094	15148.66216	36493.71828	21431.17027	40447.35095	45308.25695	22936.52956	24736.74446	40342.35498	26898.37637	26336.72541	18860.24194	21890.75204	18488.09429	30295.60773	17789.3062	19541.94686	16160.66485	31837.86124	93892.37464	24955.99677	25338.90081	30820.20947	8390.588371	31325.14657	49871.82063	40932.26826	43858.74626	52558.50416	54682.13882	73641.59225	36242.14302	26309.97987	35188.51951	37403.47635	49687.85573	40786.05568	35206.30313	27741.31079	33020.34151	29533.8247	39837.30423	35105.10598	33341.6533	76796.27013	35485.70025	37555.50499	29158.41497	57478.53974	65187.37728	23156.54138	29314.89987	22680.18977	20809.38373	29473.13627	21393.44734	20375.11846	41062.57863	18065.49967	20876.85291	34903.13248	39076.61933	10526.82414	20686.54073	46962.1158	11058.4372	22431.99887	28841.77664	21480.34907	20906.7777	13439.75722	24892.49228	35706.1762	18673.18786	33659.05352	25628.4694	12905.77623	74738.17799	13857.75875	15474.01618	21330.87803	19906.14354	24769.04539	14192.41983	103375.1739	16712.43097	7977.804265	58311.50209	59659.71028	76783.85023	56069.58123	41587.613	56592.92662	17265.49298	62738.76534	53879.3936	21095.50627	28784.93905	11607.08925	48186.57302	24940.08144	23085.69872	29642.81639	10673.93845	26515.58423	10848.40604	32716.25357	25849.87367	22926.79134	54678.04761	31259.6738	28125.44113	16998.06532	9389.857139	10619.49315	91728.56967	65459.45127	81731.14463	63720.08375	60879.15173	20600.6723	32763.16169	17837.90122	30062.65595	37487.91245	34737.06313	21662.02281	32848.65745	27113.98693	11197.98499	15079.26162	13430.07856	17769.28294	10678.98741	25814.89015
HydroxyButyric acid-nTMS	11628.26927	16379.34208	12400.86826	18269.28313	7878.264353	12678.44817	9860.536786	14552.0563	6915.251834	7499.011835	33894.91588	7280.09077	18468.57307	5479.836006	6203.853979	6013.953061	6987.353837	2067.686442	10647.57544	6498.293754	4960.778495	11363.19415	10088.88564	9226.732416	7933.268509	8173.193733	6826.271091	2556.411326	11523.56798	6509.172879	12007.60213	10587.58682	22247.17589	10346.23757	14775.00709	3973.764326	13721.29268	14751.52023	10414.14638	10323.48394	6605.652071	15342.73297	16487.15875	2267.284831	5453.376444	10981.3601	18966.25197	5343.218563	10621.95936	5054.329239	6840.213289	7322.938578	9845.762204	12148.0122	14952.01581	27147.78649	8470.601859	11854.79428	8255.185119	11853.63097	18836.96186	15330.75428	14241.89179	12142.30559	11386.96666	4256.925318	10300.59864	17056.97329	6301.155735	16675.71546	9318.247251	11145.99503	17310.20157	7136.628683	7354.047891	32416.82673	7752.472298	7164.977393	5476.607998	4047.822177	10612.12219	8304.687362	4695.331347	8206.736654	4193.268563	5473.30973	18371.94108	10382.90549	17095.44114	18772.72381	8961.21345	7533.515313	12876.72642	16313.23179	10490.52195	3988.904494	8004.873316	5928.392913	8097.959184	7135.583061	19680.89335	3063.034292	3695.479874	8741.557376	3934.196191	9740.645177	4571.700452	2517.352913	3558.802028	4811.640675	2126.919829	4216.204315	9455.486171	13119.04021	1283.806621	7151.832461	11978.18227	5936.323177	3182.147031	5157.970187	4692.66321	8451.114836	4071.481694	12312.34067	3073.181878	8441.340259	4815.841629	5752.64936	4285.257063	5307.838262	3716.64002	6971.047446	4746.202497	8693.0587	3840.147851	6600.624785	3784.687203	11462.40657	4313.834211	7511.969622	2888.339322	7265.102117	3648.401023	3472.783906	6680.543166	8578.504996	2060.525448	5577.633415	2455.802944	8410.78415
5,6-Dihydrouracil-like	99495.49118	147144.1367	146578.0061	131090.2149	133707.6542	153746.1134	124988.4132	142608.3104	159258.7342	129413.0298	137731.5666	133107.3121	89812.78751	166980.8417	108789.1741	167928.6486	104446.4979	122363.8577	150081.4437	167749.0362	142595.5062	123058.2781	128604.7597	142126.5141	128223.5087	150128.5449	129295.3527	171842.8264	144497.7864	177463.3978	142873.5594	152663.9841	77228.10703	130368.2457	90914.14313	148870.8226	134894.5805	100465.7271	105910.9195	106146.4866	126861.0365	124803.694	61916.75244	176233.9309	131807.7563	123213.7244	86587.79105	162958.1314	112108.2944	105495.3231	167128.9917	164370.7396	111383.5326	94385.08394	136847.8351	92158.23201	123112.6422	133766.1283	124479.111	81439.95479	127830.7181	145605.4055	159784.7996	110221.4507	161108.6559	138876.1434	150367.837	127198.1373	120811.23	109315.9671	139670.0639	133303.1006	131334.9522	95945.56919	136332.3831	134792.8671	127861.4695	111393.0928	131986.9565	143402.5456	96039.82147	127742.815	147232.0136	140909.014	130472.4728	139840.762	77645.5215	114707.921	117448.3739	131275.578	96621.64551	105405.1558	90217.68956	168194.361	135976.3361	143348.815	163674.0518	175733.5877	95097.37609	85329.63228	151858.8054	70123.01182	152243.7274	139701.4036	143043.4262	136377.5121	144827.6875	160733.4262	124520.919	145205.6612	133310.5226	141302.8112	133680.0743	136975.1156	144761.943	137504.9447	117996.7875	154806.5731	131735.7672	157432.6065	129459.747	152389.1751	141288.696	139789.6105	131602.7985	141880.6149	114190.6122	123927.1173	124586.6915	126778.0031	160410.7736	155065.6359	166227.0033	153963.0658	151099.8169	114548.8128	148443.0741	150628.7557	131039.0907	150691.6437	154333.0922	131931.1751	145656.3548	138006.7345	164446.4268	161328.1494	114583.4044	138328.2234	105626.8386	126449.2858
3-HYDROXYBUTYRIC ACID	308095.5092	509703.1865	64415.90999	679427.6932	461873.1065	68513.09994	225670.3805	1604215.602	79935.96333	323181.7759	745077.9167	160868.2906	849368.0334	139022.7415	63047.75185	59193.61883	1115882.674	64995.75094	534726.9257	357739.253	540813.8812	1138086.714	778072.6265	88082.04305	722990.819	502803.6908	597328.2873	27016.54281	549825.6321	360029.9067	561616.4462	621010.3627	322559.2118	67935.44275	560855.6233	49398.28803	249225.1595	1449963.581	47239.89234	453030.9483	574554.7213	2385420.885	276078.8855	25387.8331	26255.46358	73254.47369	884147.5396	120084.292	53486.00114	56793.40489	57091.24678	30898.58182	1092173.497	294993.6386	500754.967	2652251.068	707972.6717	58119.98028	47591.37101	1373823.679	638708.1122	1729100.659	1018665.194	505720.856	126132.1235	41774.83944	1958563.026	651735.8092	441901.8548	462811.1339	829747.2217	57048.00609	166514.1453	1387055.481	309620.8666	744327.8556	84502.649	64723.85046	151786.1437	188436.4408	753263.534	216197.4604	202212.5727	491440.1277	57295.85936	46005.12608	467072.345	184014.5322	138112.5563	170213.8746	37316.29129	60025.73884	536499.0167	1304581.333	521196.0159	47696.109	269500.0338	358645.7357	1064682.216	148399.993	347554.7184	93758.73258	34833.58845	138802.3555	123661.0784	110815.1325	493589.7511	25893.02578	73963.63898	61010.88862	259357.8402	417438.4111	1452751.374	2572962.278	136547.5283	365275.7417	1148651.149	248030.3549	188839.6683	761671.6505	458471.9572	177966.2157	266316.7833	1387659.889	106872.6335	257065.1126	36906.20712	29250.67136	120897.3203	69489.33525	53427.62268	1033161.74	62986.58786	919772.7217	113741.1322	487848.1749	32389.70694	914552.5429	61870.25229	45212.15123	58013.50847	117308.4767	28347.58239	105365.2045	541677.3073	178707.8967	53807.85103	237877.0129	65499.83784	67178.52389
2-AMINOBUTYRIC ACID	207771.3532	502362.6057	581669.2653	754340.1044	93182.10271	737300.4771	218133.2274	636813.152	211498.2455	277789.5324	837765.4684	504000.5212	239000.0221	180663.1201	169991.0851	332767.8551	224050.3754	100219.3436	285141.421	274318.9574	474465.4285	438756.0527	521404.5168	553663.8882	514383.6778	460112.1024	471255.4347	123994.9706	311496.9599	279222.6488	350906.6198	750988.3144	248207.7341	578180.058	452932.3826	215797.0175	726732.7315	494684.4202	247810.6098	572557.8275	417632.1222	802605.0669	203092.0698	124799.8824	347713.4891	624110.7916	231200.6534	168192.1481	284122.5079	176755.7254	316124.8577	185976.1206	399577.8331	204101.6922	471292.9106	1110529.435	500144.1681	522592.1308	275111.4281	390178.0164	385491.5464	539619.3277	844900.5976	618185.5586	742328.9717	204349.5185	505639.2003	708976.3715	88706.65994	360680.2828	493625.8421	588974.3545	608789.6785	175624.1807	261843.7856	809571.7436	394716.0289	56669.6649	452264.7164	347302.7969	386623.8466	193727.2669	221336.739	443619.0197	158671.0618	137509.5901	356241.9815	598550.3609	587603.1627	630790.8033	474587.2079	218002.7586	406981.7296	243220.7592	288227.0195	190726.1613	211470.3427	266421.2077	234728.863	138397.8399	653594.9951	60091.58877	369382.8161	487760.0216	358897.1473	458522.6103	286001.1865	234149.2351	247538.3804	499141.2522	243315.9861	153005.284	842118.1637	379496.4166	229985.2772	353949.3892	416567.6242	397412.9864	222049.641	279912.9792	325085.1446	725603.9514	456283.9224	527181.7914	275938.4384	346617.6803	511929.781	357018.2784	615896.3019	407100.5627	410784.0364	369660.7549	439272.9937	370917.0258	379315.4875	202458.1596	346829.3807	297615.1253	363774.3277	487704.3091	365697.471	254354.9823	235238.7544	241479.5184	649709.3515	486886.2679	217133.3402	340275.4345	255202.6493	521592.5002
UREA	116753.0483	58926.4899	173094.8669	50697.98682	120040.5619	38732.33844	48189.1451	53230.7533	52788.31272	56511.42784	121279.9945	39889.57715	214528.0432	45267.03965	68792.14575	52370.52617	84160.91313	59716.57594	60283.45769	32390.72454	48218.65499	76543.67658	56837.89755	99994.34498	42461.33146	46504.42703	108075.3982	37351.00757	60006.90678	30491.45204	32207.37892	22816.6685	191670.2459	193175.067	167985.8174	81737.65473	59140.17702	229646.5109	39504.52927	204149.5785	137720.0514	206948.4913	231520.4872	41811.86803	116947.4446	170391.5428	285346.6542	60169.6466	253844.9156	233816.1266	41282.12809	84419.9208	75880.61833	174982.8299	92828.99641	207983.1933	50637.75584	204116.095	141184.406	250536.3097	141099.7825	89665.13207	88404.33221	204615.5754	154613.2459	46176.847	60408.88848	63856.42007	146546.334	188813.4512	57615.01699	46596.20114	172366.5194	52254.99908	76216.07754	150416.7556	67780.39335	22608.10248	54611.83412	32312.25069	52311.35675	115824.9158	121042.7132	45852.9128	58237.91349	165623.4549	211621.5253	54219.25044	218805.7616	177416.4086	56848.63699	63686.30936	174113.3495	188602.3814	71104.12814	94135.23231	42165.46714	29567.21114	141290.379	196198.274	188294.3267	24984.45956	52479.08133	39096.79377	55187.69715	36140.68879	43871.40734	31107.75333	25143.51458	45521.70804	82767.20327	59525.71323	47863.3036	49309.25128	56345.41903	22468.29552	81816.47908	54187.49287	41003.95125	57475.72489	54900.66933	77517.70227	62762.21471	63995.51228	62730.66545	56729.66229	84077.0625	65519.33239	57179.43496	58258.09125	40774.19752	46390.17735	66330.31215	69943.15	74904.52267	59209.63546	71883.1225	85454.49216	57581.92404	72093.68145	46376.1607	36526.5849	87376.67996	79400.78129	84923.5918	67531.92285	39967.37265	48161.24747	37258.10398	55284.61374
BETA-ALANINE (2TMS)	12099.82324	12981.14087	12461.40206	7350.796619	7356.218233	10327.84983	5843.972143	8940.460229	5747.350512	4833.87198	11881.14829	4916.368532	10105.93595	3271.634113	6654.742039	5438.130704	5812.237023	5107.489837	2848.010926	2739.893549	4693.702723	4680.924399	3545.868026	8898.17569	3716.475962	5011.272396	4074.587191	3708.882599	3765.327959	2916.462081	7146.882355	4109.800463	8693.019814	8692.619451	8046.060054	5156.548312	4540.241715	17819.5804	2888.89532	13645.83029	7078.180279	5570.02815	10907.70965	6852.075282	4565.603111	13300.57864	11754.99236	4194.532823	4600.305256	9208.071087	7005.571865	4722.240638	6137.258967	10020.04121	10483.74691	24144.40637	3911.067365	11826.37943	10914.00725	21021.19243	10555.26974	8718.586074	26465.76598	19078.914	13169.27449	6913.817609	5581.136085	6034.045086	8474.774453	8836.847437	4724.477457	6881.435357	7626.459144	3876.47481	4384.264538	12547.72237	7187.625951	2840.878221	5584.521457	4753.971731	4223.226881	5341.371834	8740.173123	4963.642825	4320.495027	12404.31227	8877.999525	5201.013433	7011.477779	6094.812091	5862.178694	4892.687516	7940.981432	6348.993367	2922.258398	5812.320441	4753.739593	3738.229125	5191.836735	7217.634701	4505.898397	3096.111184	7601.507717	8153.242754	5753.269941	5695.872854	3383.399024	5724.690717	2505.962297	4046.899511	4023.156605	3029.038912	5356.00737	3736.756783	2882.120085	4414.776033	4529.278551	5925.482141	2414.157716	4470.315492	3278.559325	8398.414505	3507.097006	3991.180081	15394.19855	3006.384022	36601.29981	2340.09991	2347.464285	2795.406962	6632.025581	6181.597696	5492.7894	5559.004699	5492.358889	3438.097614	5223.179552	4792.61322	5720.543388	8754.333829	6509.845551	4709.160371	3895.750245	3519.248309	3679.021415	4407.13893	4909.450564	5121.938916	3741.742391	5724.542065
3-HYDROXYISOVALERIC ACID	35248.50954	63079.91509	48242.37977	24619.23866	22444.8534	27719.10105	17466.30793	64538.53369	17034.70032	19537.18989	47243.03576	27968.36065	36885.72629	15264.51159	28911.6968	20232.5127	17018.85301	18134.89056	18557.97057	7835.920849	18188.58797	32681.96955	18592.33481	22039.31371	21763.48876	20394.27961	28932.10335	13583.82481	20232.90572	8357.139669	33383.60902	38365.11961	30351.82952	68215.05454	28245.12752	19517.94243	26655.68853	49513.85593	28857.11805	57394.62707	26013.4086	47288.13769	24376.92986	14274.34024	12375.65918	74669.05729	35644.36132	13621.31149	12101.13994	29695.38426	18381.1635	10605.90536	29271.2005	34111.14989	60547.05527	89012.83977	21388.41444	43180.14439	25738.99091	43067.5332	30754.39048	59032.79827	163383.0296	64065.69685	31169.12904	29971.27843	20270.23104	23730.60381	20758.30492	40393.25874	18379.10981	22761.76024	29906.6733	15349.29796	18129.41847	47511.91577	15167.32186	12643.29653	21880.04012	12432.84374	17963.60105	15705.63106	21886.76032	20170.47538	12467.03678	28550.88854	41040.62723	20925.95248	26994.8762	30413.17088	24201.22806	16781.60654	25872.35891	26127.53992	19377.54535	18120.52377	21223.74388	7262.79734	16772.59475	20287.70447	18839.40093	20842.43423	12872.46722	14903.40852	13294.81088	11024.0942	10633.03631	9715.270564	15708.10513	16366.96041	16074.96647	15564.09187	22595.77498	23189.61612	7695.392389	12018.03374	31091.96479	18584.38891	9172.463687	11880.5228	12158.36612	16407.18294	14563.23482	15228.80137	10428.36315	9605.777016	13760.91879	13147.18027	20897.32026	18013.39091	10479.6458	11964.22616	11610.23719	12199.01152	13051.00507	12684.55499	14752.03873	16871.17104	12273.91184	12319.2764	15073.37502	12540.71755	11951.05209	12405.99563	18853.96442	12723.80002	13610.26795	13546.96232	9676.978839	13283.12715
VALINE	19938.28455	18243.16863	32962.18166	32185.4521	16870.72786	44104.26199	18018.26204	55175.70764	26195.96167	34126.57816	44175.78376	39379.80793	18822.98301	18987.89831	16714.28898	20302.04813	14719.76195	21305.03686	22640.23151	20774.2747	37719.8336	29141.812	34294.34022	24616.30682	30631.24689	33548.79902	26452.99723	21617.85767	23394.17339	21424.02803	26103.02649	33132.5102	16202.58012	34359.7792	20540.29421	25680.68846	37504.04329	25794.88142	16668.30666	30780.2701	25758.26772	29502.69149	15467.08817	24669.43085	22581.34316	37498.6902	21060.85536	17746.7815	12727.15349	20151.91787	20538.61362	18600.26399	26822.28673	19841.3592	18407.94254	28401.24877	28201.3722	29491.722	17423.78321	22090.98615	24103.78131	53448.1652	36697.47953	33926.08541	34156.42464	8854.73493	39566.14389	29538.22632	14865.77966	16267.68013	37359.93551	36271.72251	42310.05529	15645.89129	32462.37172	42643.04854	25329.88312	10809.94609	39568.46346	28057.48346	23983.65053	18801.74638	28916.70214	34262.61783	21281.51746	41381.42678	16980.87432	32932.97959	21163.42399	42672.46679	31901.96702	17749.40991	18281.80737	18470.59441	22321.92488	24418.27262	19346.61462	19730.44138	13850.14577	15245.31113	27313.03396	11814.72378	40693.84026	41260.12834	40876.96581	32337.58525	22559.51787	20524.24686	18498.10045	40368.06773	25004.27702	19183.52685	45712.74844	28961.22965	24989.83152	25026.75974	28411.85786	28756.70433	20169.18025	23351.70066	21400.70593	40926.29242	33060.81113	36767.06638	26453.08352	26001.53128	34085.24983	26576.18896	41428.03107	29081.06517	32548.88698	37381.23389	29850.26218	32576.14491	32703.2512	15395.71678	29927.09564	29076.35937	34214.02828	32789.68844	34023.72731	25427.28291	33833.51582	30017.15167	26043.50691	23138.04615	27911.1672	33313.90233	25894.60987	41517.47901
Ethanolamine-like	11119.56619	11108.72526	10603.80935	11498.17561	11297.85423	11062.10638	10299.33127	9206.884448	10205.69714	8775.488851	8142.180748	9851.738047	10839.63641	8755.317161	9722.952431	9855.64214	9221.354348	7848.710352	9070.19832	9471.12193	7881.254864	8161.041589	8837.965019	8481.400636	9876.871241	9872.811206	8185.780902	8437.172273	7807.493291	7686.470562	7814.278295	8932.311763	7992.362107	8759.365492	7304.141959	7990.528555	6776.840062	8311.352926	8061.818077	6339.001838	6043.002503	7773.223369	6952.408959	7430.839238	6641.607884	6861.60366	7713.751346	7244.511868	8892.96957	7990.088139	6534.659397	7976.880006	6737.96853	6870.869316	6334.978167	8376.367307	7499.638132	7883.673055	6316.039698	6628.99124	7464.981409	6955.263419	6645.824396	6466.540038	7017.906991	6087.556544	7709.771633	6086.565788	7978.140731	8679.00661	6781.251799	7280.274885	6821.91861	7308.652814	6973.204105	5379.881909	5765.287943	6444.797257	6585.653375	6781.341511	6047.799644	6192.818235	6967.503902	6672.345419	5855.308813	6143.905253	6957.70967	6053.109613	6379.065296	5838.373312	5236.950347	6580.716648	7200.105186	6207.23049	7258.000476	7275.598627	7061.796359	7084.281698	6142.274052	5880.367545	6890.942337	4888.536576	10563.69984	10366.02497	10260.73961	11737.59252	9330.192725	9108.50883	8751.692813	9695.372336	9994.977953	9342.626712	9616.900092	8754.578155	8685.888439	8859.220477	8288.352716	8269.998859	7924.759308	8056.423524	7364.373814	8817.213947	8842.905895	9225.368931	8541.149845	7466.386115	7780.218291	8024.024718	8088.102651	8337.149961	7528.594269	7386.994088	7601.011466	7330.84995	6974.37757	6114.219197	6797.106878	6575.406713	7680.621015	7488.973797	6304.535486	7576.480051	5955.670027	6636.952394	5640.971821	5775.868421	7113.786478	5910.57626	7228.572892	6337.042137
LEUCINE	1369224.363	1041079.645	1680723.96	2095878.64	851564.8865	2260954.289	1343110.204	2974798.456	1785698.673	2053955.567	2588254.459	2116179.608	999478.0609	718656.5031	1031076.988	1131612.762	1091707.929	1299134.684	1324295.974	1573441.959	2014823.545	1484849.816	1806248.981	1786770.644	1968563.159	1977250.665	1441363.114	1362219.353	1379456.855	1548293.755	1792746.489	2456030.206	822473.8288	1792449.279	1079579.746	1454092.157	2029906.784	1418705.234	973667.1201	1869924.452	1350011.265	1653795.866	845782.483	1388046.84	952682.7941	1826588.35	1035189.219	709130.4579	780408.1608	1167783.451	1092301.839	1057965.127	1394454.235	1237629.058	930683.8487	1474055.796	1863432.823	1444338.775	1075399.061	1367868.324	1432038.211	2722024.612	1751497.059	1913155.151	2035802.794	534053.0435	2203810.757	2059168.656	774076.5813	803624.7418	2035422.929	1845329.333	1943164.916	1323296.813	1857275.371	2503717.602	1600728.401	554922.6395	2007127.567	2111841.407	1507109.821	1270052.474	1657098.907	1830766.237	1420067.083	1815324.244	853036.9446	1930085.09	1335688.607	1979630.096	1704661.222	1201747.471	1077330.673	1079237.864	1262512.053	1388265.22	1268415.383	1449533.07	1012559.767	974179.3381	1445689.492	865188.8519	1787999.371	2075512.738	2216231.34	1836716.696	1080281.128	1115809.448	1264921.322	2626892.244	1003297.995	962440.0334	2031057.234	1434746.489	1395214.798	1778653.287	1522201.411	1639984.024	1051356.781	1279333.401	1081375.148	1899746.029	1166119.512	1761376.196	1064283.305	1230388.825	1560787.226	1141981.462	1858335.71	1265794.295	1697195.917	2074576.929	1226333.556	1671450.223	1496072.709	811101.8066	1304686.05	1557721.237	1593894.095	1802031.298	1739437.614	1901984.316	1423254.231	1389979.177	1265867.893	1218192.484	1277032.957	1970017.208	1262158.671	2010762.254
ISOLEUCINE	4803.619042	6063.878084	9039.71384	13016.38015	4316.582789	18419.33257	7258.467409	22236.92766	11465.16381	7833.825478	15718.94824	20253.9617	4006.878096	3297.46425	5079.776899	11009.01087	5501.313434	8624.451641	7954.055673	9693.574498	13809.55314	7572.312499	11452.24856	12706.26689	14700.26231	12886.69405	9187.673177	9367.493995	7762.202923	8950.252198	11007.0607	15241.97994	5088.306675	16178.39834	8087.185102	10889.86865	13043.7851	4982.838728	8706.624606	8430.417408	7550.09956	5655.834856	6804.146449	10741.73654	7188.120159	17926.2088	3802.720203	3804.35745	3459.768196	5135.328105	10703.37308	7468.191927	7619.162808	4742.898319	6782.278391	8294.798366	13874.88058	8976.775204	7032.15071	5050.57926	6931.81021	20628.30769	9256.201261	10346.57679	11783.59449	5142.75267	11911.30105	12394.88565	3537.976787	2487.392324	13798.58352	15534.39264	11948.15833	5343.425416	7301.026226	16506.60406	11323.21244	4481.657441	19193.93339	13933.91593	8356.265754	6870.332176	14162.05478	13311.9722	9061.993986	11456.95402	3851.271086	10851.97667	5336.988068	11689.04163	16236.49071	8098.500107	7975.281259	7591.606238	7251.761183	10212.64445	9473.636712	8902.351944	4882.215743	3430.456871	10749.20957	5502.740249	12134.33928	14077.40804	13977.03484	12233.04382	8664.673437	7747.426575	7292.577989	17656.52395	8364.744124	7305.499548	16198.4576	10515.4279	9271.936709	11861.54741	7478.985396	10593.40409	6257.999889	10226.34367	7563.091438	18070.04659	8460.495709	15160.48587	8866.475171	10462.85535	14797.03901	8317.981	16255.34639	10676.19733	10839.99508	14152.49356	10146.49441	13217.92905	10750.19154	5014.313034	8780.797049	12765.64561	11616.85611	12611.73613	10949.6757	11302.67429	10434.0525	11462.94034	10476.75686	7314.626419	10096.29049	12196.1336	8482.648352	13678.40001
PROLINE	40260.64292	104043.6079	248886.8507	52421.32142	40513.03237	101602.292	64915.10019	127432.4876	54076.13512	69523.23932	178912.4989	125746.8743	39273.70842	38477.56076	38271.76721	61610.11884	80303.13597	135586.4857	109396.5329	67666.92678	137253.9907	436862.0017	58305.26961	77398.01169	68006.87441	71739.90428	325039.9856	163950.3152	114251.1804	66655.13547	61497.66301	87672.80344	209823.6971	168369.5927	303418.3807	122013.6568	112189.8433	77502.73146	51339.10225	71068.45959	329989.1002	275818.5589	341932.5589	181459.955	232364.7784	173121.7473	55442.1809	38150.41526	514407.8508	42751.80147	61116.17039	41716.03874	430563.0428	34588.53598	99828.41658	72661.49477	68580.60967	212554.1477	252000.9509	73545.06923	48290.5783	126135.9194	125954.5035	78792.81483	97419.40176	52558.69638	93540.9324	49786.70759	38200.79511	49662.76915	82420.6829	82562.10792	81804.51128	43490.07302	65241.73318	184596.0494	73976.76361	15616.37882	124704.5576	61917.49867	42919.6633	64282.73427	62908.47169	69746.54339	42693.1529	76970.1585	50102.16203	96953.72628	505516.1417	77833.85343	111127.4146	84916.81046	302184.3273	36371.22039	103114.5421	118485.9063	59359.13634	63867.31825	76219.24198	68845.98151	106297.7391	83697.65439	95078.74373	85456.21074	186235.1619	176997.2502	87762.19874	93921.75843	90646.08526	221573.083	125338.7123	63947.60018	65046.54917	35863.80433	114385.3941	65794.06632	450944.7349	113023.5079	66270.2432	81324.12727	65332.50018	160848.6996	124345.5511	95699.45625	147786.9174	95087.22259	113939.9107	85133.55086	92826.09328	66366.24357	193550.6088	155100.8034	97849.73362	78668.46834	87920.43653	43981.9929	110440.0196	57497.28858	96445.24536	108195.3584	133720.4284	106753.7989	115213.1118	100442.2723	77710.72747	61805.3627	96089.83323	102559.8484	76251.08821	106502.4114
GLYCERIC ACID	9958.375026	11653.64606	15685.65838	7268.036621	18084.75425	10896.7215	9493.327796	10205.27324	10443.43624	8969.907461	18779.32219	13922.4217	13191.48642	14329.33974	18864.47071	14590.71788	7885.219797	9389.604722	8369.68167	10001.45584	10829.49704	7613.473502	8217.424059	10109.24935	6372.569083	8301.970268	10961.73211	10322.25781	8909.306038	11433.99322	13237.50014	8628.447801	10417.95733	11091.01514	11597.27463	13406.63001	10266.48043	31182.74823	9970.804272	33868.34291	10645.27502	8144.408366	8665.067637	11715.83608	9625.410348	12690.81743	14674.23265	15459.93471	12074.43003	17683.74443	28434.29992	8688.699772	6719.405856	9696.826058	12001.31942	13126.44946	6540.283125	18381.51875	14706.02603	26478.01639	11474.10729	10259.5912	12130.06635	46841.03347	14318.1246	16883.02007	11036.08113	7400.056022	16966.04798	13843.64243	11204.77918	9194.111594	12276.65077	6954.846632	9714.133409	18984.468	9448.208789	7836.63441	10602.96645	10367.28424	9853.051361	9387.716608	15400.13055	8564.921109	7016.36595	21256.92901	14346.70943	7897.700655	11935.69577	12493.29922	8788.488963	12369.82554	10873.67946	9681.891105	8907.091241	14750.64248	10214.55001	10940.49293	8733.067055	17147.51256	11583.40009	13023.99215	15638.74083	15726.58822	16704.31067	17583.70583	6617.658288	7840.872604	24113.41547	15756.26903	22791.26495	20695.75193	22487.49721	22883.12128	10741.05603	9805.974404	7351.359635	10428.2951	25469.25817	22089.34471	15989.29852	20553.56652	10995.45855	10685.40437	15206.69583	14156.02571	14400.11745	10039.08059	16802.83395	13883.26027	18851.01464	20846.44535	27019.1662	21250.59041	18715.78461	18481.34554	27071.67104	18174.71493	14154.16135	16264.72912	12883.62069	19694.62557	9943.416029	8474.757209	50523.7154	39695.00853	19559.82061	24759.26102	32116.96928	19714.68905
FUMARIC ACID	54903.98155	36083.87833	43817.29799	36994.81426	47377.25031	40258.2726	44073.26484	49560.08355	37966.54025	41902.27627	96762.66434	53760.29446	56618.23248	44126.66659	56106.70446	52940.02712	55773.29893	71231.53954	56274.52407	72411.22279	106403.0996	120080.165	58041.0302	86451.13496	66479.35417	69062.21572	71710.48185	59028.63136	77996.80703	93324.55475	116589.8719	77469.408	91737.51727	73851.1864	81458.16082	88937.55841	63893.31608	227249.4509	67098.08121	168984.0446	71168.47214	93628.69771	101321.4968	73695.94375	89685.50815	80758.17024	94372.56596	78105.31784	88236.90737	91166.92366	90175.54371	79741.67807	84120.0728	90604.27621	112393.6479	134806.4645	90035.0288	97115.02218	91845.84299	200465.1031	109224.0956	102646.151	98440.94331	136747.6229	115596.0326	86236.05942	85825.93498	84191.85229	116612.9211	113860.8874	104260.9547	97358.70557	121557.0054	110481.6082	93074.11631	178872.9222	94190.90288	97114.45009	122366.8236	100245.5671	104935.4809	120039.2523	107730.9493	135825.2148	103315.9843	112737.3368	161070.9195	96017.97409	175119.1372	149105.6844	141243.2675	130712.3194	117749.5884	134417.4596	134332.5657	154522.4095	128682.6253	121590.3512	136652.4781	172884.5516	123678.5939	106087.2888	42948.15559	37674.612	58601.09863	47187.79906	74490.58111	54082.65653	45109.71824	65853.6726	89656.2381	66506.75566	71359.62695	69589.04409	69249.93842	65524.14194	65156.90715	111286.0892	74819.41121	104731.8259	110678.3983	92630.36324	95512.87799	116181.8858	106874.8096	93882.02504	110305.8672	106409.864	82633.7688	105737.4815	95197.39269	95505.22965	84441.80166	102218.6108	106388.9393	109559.4436	104318.935	127198.0067	121997.7821	125622.0666	129067.1224	113488.6393	116580.9076	129944.8737	169336.4351	120229.4251	120572.8545	150775.4654	119642.4406	156442.1985
2,3-Dihydroxybutanoic acid-like	10703.1367	11530.20282	31330.21493	7384.682411	7440.096147	7931.436809	9530.086615	7205.537941	4803.931994	7318.816992	26009.58444	9196.475589	15573.58015	6328.383473	15767.93837	6241.523573	5804.100704	5237.832748	6889.969829	5956.13841	8411.487058	13040.43274	7523.514497	8551.522897	6422.708154	6296.156085	9267.081165	4019.553671	6845.072974	6582.823729	11561.7507	6606.217617	17645.29333	9973.421847	10979.83205	6557.771802	9067.544917	40902.3187	10453.50621	29264.06674	8587.104121	13758.70413	15624.54051	6285.560299	8494.43287	12698.65294	17986.12673	9123.964796	9417.628541	17274.35816	8027.679588	6856.440268	10982.67561	12934.46075	15971.45799	44235.59927	8472.917813	31324.77022	11560.58715	35200.90421	16832.89292	10769.57189	9237.983863	28704.04293	13243.67717	7780.772474	11604.72179	11598.90524	10841.01567	29169.76844	11051.41936	10346.57178	16053.36298	9669.535713	9715.507412	32583.4104	10781.73099	7822.375689	12051.11814	10399.70947	9334.458756	14087.35405	10693.9123	10733.96928	8433.379598	11603.57575	32521.97672	9796.715904	24511.20905	17138.07296	12199.90807	11806.39316	12406.81881	12431.37918	10736.69045	11502.26397	9387.902443	9730.218235	10915.4519	15293.61103	21490.469	6610.245853	4112.340652	4676.174101	5850.811995	7962.350547	6786.7695	6113.065445	5518.86962	6579.311618	6091.025988	4628.148972	8228.305589	7290.114461	3908.707085	4978.475858	10502.47748	10873.55928	5882.352941	8425.449943	9494.536673	9102.019992	7846.002099	9784.667337	5994.581538	7324.274155	8981.778965	9475.903093	10003.20056	10674.0164	7194.687	6920.115204	5946.867999	7391.717186	8220.11545	8433.999691	9334.063337	12147.7356	9577.488217	12556.31029	10392.07223	9571.711717	7198.656599	8988.85428	14649.6184	10834.7833	8082.375544	11344.71916	11162.0682	12823.89615
SERINE	3190.628838	2539.294961	4028.249106	3810.336377	2002.428704	6681.612432	4359.053071	8379.991138	5024.870332	4856.541654	10157.32739	5757.84062	2234.275478	3212.279757	4540.882803	5137.002046	2343.259642	7461.126806	3514.673861	7045.10779	9765.902767	3848.142362	5662.594381	7156.429193	5599.58844	7252.755946	5432.970647	4578.310536	4857.391954	6765.834933	5024.253876	5385.845001	3264.733735	7769.599885	5813.0811	6329.585653	9814.449966	5652.735319	3898.937864	8948.45842	4710.058883	3345.844239	3614.051855	5704.346548	5047.819824	8209.824079	2761.041206	2967.930064	3024.539731	4268.340243	5418.489006	4061.066678	4384.66146	3338.32487	3319.25166	3438.218863	4847.87077	4470.410856	4264.574791	4994.06612	4554.170662	7081.881889	5549.842214	8273.541464	8273.242446	3606.414286	7901.964314	3802.498818	2611.173336	3511.118823	6939.022284	4783.748743	6690.266522	2282.58226	4168.187001	9997.391572	6781.660894	1338.339783	5708.856528	6172.035325	5562.171912	4141.472902	5816.94338	6521.726867	4502.081888	4297.49436	4174.388216	7721.4494	2754.786389	7627.590002	7844.523801	3213.892047	6648.449648	2898.263259	4322.696283	5637.496285	4783.069738	6338.978891	3330.029155	4419.731965	5448.296528	4176.242807	7279.635534	8237.528517	6564.97955	6254.315514	6675.75172	6707.432241	5131.769753	10509.7121	6631.309982	5682.634592	8544.068174	3986.201401	10943.57782	4856.893543	3512.744981	6183.384686	4961.878791	5878.663665	6170.942192	11626.02948	7666.137446	8095.108499	10014.90621	7493.927192	6707.396261	5369.177904	6892.257558	5626.799267	9487.147952	8235.864787	7405.205086	6888.345142	7069.708684	3283.08924	5236.43489	3428.99018	6167.452176	6524.918041	8068.918856	6328.670324	8065.513505	7349.98021	7328.890521	7317.460227	5249.366211	6436.895	5161.396781	7414.535209
PIPECOLIC ACID	55263.69873	26361.64247	112666.1164	21865.41894	77745.249	38677.65404	20659.01033	41027.22936	28650.90561	19188.31524	75134.40057	31994.66887	42537.07205	32862.49574	49367.63664	30012.3842	19592.05082	51030.08223	20784.83188	22259.55905	16291.35895	21448.30692	21116.27659	30751.50706	24568.15612	24925.14451	37324.23239	41429.79736	22823.89407	20937.27961	21392.60892	46037.65847	78342.32873	92685.23529	251675.0121	156641.9369	56946.18167	114817.0752	23293.35224	174265.6127	35958.91562	34391.8959	69779.56673	47267.98915	45478.63718	108534.4797	45617.65646	34661.00784	27102.64834	57293.84589	30621.71829	31058.0471	20973.67936	60096.65942	25988.15483	336400.169	25425.19179	110200.8177	212898.0805	101564.5663	24028.56441	39482.97069	254418.0129	198282.3905	41972.81785	145845.7528	28461.85469	20930.56763	77307.46981	70556.30496	28981.12512	32542.75316	57215.34771	26689.72779	17574.00228	75576.52178	19109.0907	11919.42192	33172.12783	21308.70553	15969.29561	20049.84105	25485.64212	25740.95301	22226.85635	41381.387	75871.5253	46879.85205	126610.5318	55865.09447	57126.17709	47928.41602	245732.1298	53548.42398	21657.35499	153179.9348	56442.42267	22175.81001	20499.66181	33442.71224	86415.95166	32905.0294	25991.26347	19023.4483	39933.68281	81933.59257	27208.06142	39144.34201	11659.8315	22727.50761	28261.26787	12683.86289	68701.24294	42073.56706	29856.69602	48324.53752	21234.02408	18001.31804	15105.99922	16725.6605	20548.07221	95907.20257	23653.66824	18744.79997	18038.81599	11622.00422	29186.12333	16187.85481	82139.60255	55863.37564	38771.41803	28876.10126	20918.71032	16607.66197	38220.84652	17130.12983	47946.07383	23228.6267	28271.13391	33555.06026	32324.45989	23831.38483	25492.83765	22480.88363	41305.02061	25802.68758	11572.25197	14803.04805	17744.10943	21170.55505
THREONINE	12760.71782	6191.487012	20924.51619	10278.28707	4871.804502	17149.34974	10854.89686	14703.39446	13240.94094	11631.28647	30170.31351	18768.62775	11205.65729	9358.753119	13062.03854	13744.45441	6153.962387	34696.47902	8461.189694	18205.5881	23016.10853	9849.954692	9216.89558	29522.60312	19758.83045	15682.47439	8221.824244	15606.85168	9123.178478	18851.26992	8464.547353	11849.29997	13748.20825	29697.77874	16377.77247	29645.8528	16032.58153	27171.09402	15184.20976	30654.84351	7667.622684	10488.17226	11986.59511	16087.80064	16579.59976	32272.29861	10866.01404	7669.513786	10528.35543	15596.18165	13739.73998	13394.04642	9609.049232	12754.31505	5399.5527	11110.39388	17747.73471	19431.70286	10368.45546	23787.5106	15004.20925	13823.58605	10239.94076	34013.44824	39868.08908	4230.975649	11812.01117	9870.974142	4189.077751	11577.79258	14035.23925	13713.45182	30694.24534	5530.8724	11370.0114	30717.19902	19059.91343	4108.588435	17513.65047	16267.95637	6269.222764	11649.36156	16046.54463	16067.67117	10560.37474	12814.6258	12430.50606	13456.66619	9430.052432	31937.16664	33059.31714	14457.03172	15160.52319	8866.888742	8226.225454	27258.58241	15795.41096	18381.53256	7382.507289	10747.01908	15137.07887	18600.04905	19220.36749	19205.91574	22941.77709	19123.32982	22164.78798	27606.47842	15803.98126	41655.90108	12149.49145	6938.747132	22956.10302	10913.88429	24683.34489	13674.81094	10318.58196	15255.04964	12349.60209	15964.45251	15545.00982	35780.16113	20238.20199	16937.24416	14567.28468	11513.27205	23792.36941	16292.33923	16187.8437	11347.92375	27253.1054	22505.38123	21568.13281	16199.81496	25942.93	11141.00417	17615.76809	10609.9956	18945.38398	22731.07856	19715.5989	18550.54146	25257.98637	22248.4182	17410.34207	16330.67144	10034.90104	17562.45481	13972.35799	20635.43281
GLUTARIC ACID	2396.716498	2454.017841	2445.810022	2420.41377	2503.818323	2443.449418	2407.651517	2301.721112	2362.976878	2325.094748	2298.427875	2171.540871	2211.606511	3430.577936	2285.871031	2298.692044	2324.662343	2296.791382	2239.002301	2329.346269	2239.629117	2223.717054	2248.846061	2262.008437	2261.317896	2260.129618	2252.708882	2255.325387	2264.518394	2231.843949	2209.920332	2204.828575	2069.88983	2405.262715	2222.975564	2293.328135	2352.456847	6865.441282	2315.283767	3988.353995	2435.712415	2469.257741	2450.620007	2449.794523	2472.906221	2328.532675	2367.452266	3266.675718	2384.813508	2399.9664	2396.501108	2410.843976	2303.775889	2251.82116	2366.66785	2347.307638	2315.954028	2319.580156	2377.13199	5784.176321	2338.470173	2333.981013	2350.632026	4710.831863	2237.674609	2359.060858	2322.570156	2334.253418	2461.629352	2238.876979	2303.218748	2325.594916	2340.481554	2372.746632	2280.50171	2371.297811	2336.489541	2414.686121	2345.944741	2305.794461	2312.513008	2350.438651	2270.469703	2256.4577	2313.20842	2273.205162	2375.86125	2390.171614	2388.715707	2341.906663	2357.128546	2308.415907	2286.655081	2333.545297	2268.83416	2330.988747	2256.164971	2231.44553	2332.361516	2327.706104	2446.198913	2281.164991	2420.0916	2247.620332	2281.685481	2422.744728	2349.582655	2360.940599	2396.903201	2306.911507	2207.493336	2317.550812	2173.924858	2183.32269	2291.488838	2326.934264	2270.315063	2282.323405	2226.055985	2239.917571	2251.757778	2242.567291	2109.849304	2221.642127	2176.089133	2203.286201	2258.572695	2310.069013	2327.679013	2180.929949	2459.722051	2425.344854	2402.532269	2434.689455	2339.41386	2375.607265	2305.276201	2345.009527	2217.90962	2358.546192	2333.068919	2297.992129	2269.258917	2294.538425	2332.184732	2267.046775	2273.683253	2242.039359	2275.999021	2304.798013
Cysteine, S-methyl-, DL- (2TMS)	5917.493035	7321.562228	11223.21074	6993.180484	12614.23671	9027.934735	6136.501803	11067.82597	5229.267832	6365.528145	8196.193803	8613.416865	4956.763093	11336.13251	6100.418314	9127.531435	9517.167631	6191.001171	5921.041584	7237.861194	22061.46662	5511.482719	6750.473663	7132.112603	6752.295238	8052.276798	11073.75369	6175.08091	6828.089086	6953.309825	6323.134551	7080.806967	7467.645035	8005.916946	7062.949111	8242.79465	8345.340665	10869.54123	5412.554626	10882.9449	9220.998277	9235.023952	7332.867716	7045.60905	9334.602759	7872.186841	4869.849312	11199.98111	4441.715158	7985.288206	8582.469594	4593.260486	5574.561707	5925.104428	7668.595501	12420.19154	6782.85036	10456.08745	9630.950259	8763.492512	5055.187896	11002.96999	8891.265639	12132.72386	8998.24902	6130.019639	7933.319011	5810.540321	10816.39937	7087.724797	8527.667415	8307.025041	10538.0182	4964.379141	7163.625998	8504.6596	7174.191137	2168.388137	7787.363569	6214.692522	5754.110492	5995.968998	5673.903789	7914.525382	4506.130002	6558.765195	7935.376574	7926.406616	10114.41948	11793.84196	9996.582164	6669.59066	6800.512211	7131.314428	5593.81062	8237.131485	9752.837127	6966.015085	8436.151603	10120.28421	9391.569175	3652.715442	10348.31168	10653.72037	16793.20514	21142.08186	13985.89076	14014.54339	6034.803034	7959.998154	17207.41056	13003.19822	22125.12025	14080.79386	12612.35456	4567.77196	5271.671576	17719.95892	13240.02449	17804.54479	13203.74467	27366.04865	11505.00825	14245.16932	13371.5237	12846.2602	15738.29918	11526.08934	20054.70046	16280.64207	27062.47694	25035.62225	15914.97438	14177.80537	21868.25591	11679.67312	16385.90324	11237.28565	13675.07624	12233.18946	13923.17204	11156.17729	20894.20148	20881.44694	10532.14625	10679.49059	6291.281562	11826.75762	10371.72754	13510.72595
BETA-ALANINE (3TMS)	11484.46628	9016.061547	18719.007	12223.08954	13771.00078	11756.04601	14966.56374	24334.94646	10073.96118	12605.50117	21643.7207	10432.62523	18677.01699	25918.61858	30204.92834	9261.430246	20164.12116	14190.72556	8685.649675	8758.924308	15443.36258	16005.2035	12165.13277	28456.06614	22256.45606	16035.61964	19480.30006	13499.81394	12485.42216	10027.67486	30613.47388	14331.38573	51229.7733	30363.4352	36080.56063	18887.85052	26715.67618	110049.0007	12875.29303	57369.54176	9552.864093	9604.177984	31138.80312	9439.058299	30162.03718	17580.4217	17325.01568	21188.11647	8004.626538	27595.41366	10151.5787	7207.218067	12423.68742	24738.50727	15969.68298	31632.31773	21485.68451	30427.67259	16253.0457	58688.89517	27265.39298	24071.51318	17990.56221	49741.01149	35755.80257	12220.52501	19245.39696	20184.28931	23566.40861	30007.10843	17994.47228	15610.55588	19857.23063	15491.66276	16328.96237	26738.1613	24078.69297	5501.258655	13044.62573	13392.05423	11862.6136	19284.17391	34615.01348	17551.85622	16567.77701	44447.41224	38983.72535	22285.36259	39258.54264	26365.18522	23972.5866	24736.98486	34886.92491	24232.70114	13934.6122	18995.81005	16195.88024	10399.09403	27832.06997	28390.44942	24887.62774	20961.6251	7636.599045	7314.318465	5715.051709	9479.594433	9240.321188	12750.2597	4433.671696	7446.133616	7458.568109	6534.334515	14963.66828	7272.647879	8806.191603	14538.10355	15350.7353	17441.51546	9666.091602	14538.18499	11442.87009	26482.47714	10978.60085	11120.98508	69158.28872	15999.71357	182445.2437	11163.40851	9707.585324	8987.612318	6366.99053	6667.273003	8106.744509	8962.700558	8672.207178	7701.718752	11612.25254	9577.018907	15231.49432	23004.66992	17116.56012	17053.39959	12531.98237	12178.83632	16699.02573	15520.76898	11235.97422	30826.35966	18682.53797	22552.44856
3,4-Dihydroxybutanoic acid-like	83480.63153	136802.9056	156949.4635	44417.61819	127412.429	46500.675	64178.96074	84435.18641	117340.1151	57263.59599	66276.89161	67255.87809	116886.1686	348444.696	241884.5864	129827.2533	100148.7784	159300.2825	56117.23416	102333.4226	59858.00751	85420.19913	76284.79387	75738.263	459268.5767	62043.38319	139293.4379	545890.7971	55706.58635	103759.5411	45522.70141	40138.9042	274176.572	215992.5918	178861.1696	72708.82186	66831.53468	172699.7826	58034.32408	180571.7119	128173.8855	208134.3523	232278.9541	572722.1504	639747.0217	237503.3473	125718.2258	329019.9574	59073.61919	254630.4352	125493.3797	196494.6329	87525.62951	91226.3418	145813.3646	276952.96	462394.6965	154424.8891	199047.3644	131378.9206	114279.8681	86363.13244	125832.8583	209662.8922	104162.0748	201715.0372	68010.07995	41301.11286	119440.1024	151164.4959	86766.85668	46421.78152	81008.16243	34683.6239	57954.38997	74050.88805	28797.2336	57229.26841	58425.75378	51811.778	72215.73434	61676.0978	163952.8878	60496.19505	95301.8737	377820.3372	150578.5222	56230.57986	179225.3395	79590.86891	51554.52628	113994.7714	179663.0614	155925.7466	53783.84817	67998.43824	67130.49658	102972.8433	89943.44023	167487.765	126036.7297	178479.4895	29699.36412	30955.91293	99207.1143	39304.7934	66519.62195	54693.54991	27545.81081	52602.19618	65388.71198	73082.80609	53197.02824	33434.85784	42110.1175	54591.0413	88022.38531	76473.81034	40388.44677	62917.60463	46650.79177	72724.21468	56744.92449	50425.16676	80726.92257	44151.65219	101903.4121	59919.14758	35809.01394	41829.69118	56046.61173	64992.57238	46482.99307	58266.98805	42456.85244	41710.91235	51287.2086	44644.87762	46195.73052	32875.18574	37245.11222	43823.28441	68032.94964	66522.11075	88402.04533	48843.52276	37575.45786	52388.05217	41525.60214	51451.15845
Aminomalonic acid-like	130355.6128	161614.8664	192802.5926	187739.9992	200474.4736	557858.4388	222675.262	279052.0362	363401.6234	230856.9137	454405.5116	1069821.554	173420.36	938018.1141	1134093.195	410970.5078	214653.5091	392536.0022	273472.8605	378167.6198	528374.4212	335584.4762	294239.5808	487194.7702	324247.5465	333458.9589	377360.2757	453021.5722	285803.1681	463700.732	286148.2194	318135.8174	317006.2148	537095.1642	1248723.178	547778.625	1614491.134	687802.8054	2227353.341	607587.434	351988.4547	495487.4315	248595.1821	462076.5683	651610.1711	380116.0774	206119.2722	854889.588	210010.8509	615405.9843	540876.5203	375361.1746	294332.1354	200243.1967	341639.7458	309004.8589	354754.9431	378198.2661	334228.9178	456306.8663	351486.6824	696320.4789	557517.615	623960.5233	1119826.916	509036.9724	940171.7541	266199.4269	319122.5522	399872.384	499618.8173	951637.5095	626982.2416	270940.3788	409700.114	677512.9829	515767.7997	1306516.634	854555.5314	611737.0703	1067175.034	366318.2141	2578174.542	392108.0392	404375.4337	1060009.206	394660.2518	571473.8993	370720.3172	601453.7386	797966.3873	1559905.701	1867082.457	330329.0882	355786.6615	914860.0533	510429.6866	743954.4562	297540.5248	1657248.768	707808.2669	1696014.234	276597.7142	206178.1464	255366.239	320970.6727	2154388.139	969369.7469	2013742.645	454320.8453	1378044.823	1838844.469	332366.4803	914852.5984	689086.2115	439791.7394	289672.9044	461573.0914	1644779.342	477040.2849	1369418.315	594352.0943	906517.3245	471624.6313	945488.4232	1312025.536	2278341.417	2040900.927	1704986.47	1880383.08	652142.4179	568298.3174	1532723.09	563773.0382	594280.718	2502102.412	1427182.664	1354796.424	601536.4569	750037.1471	772510.6155	2133191.624	1555603.651	2058007.079	2813572.149	1850434.99	1989931.562	899484.8915	1897073.065	596239.1458
Glutamine [-H2O] (2TMS) BP	26290.78163	28380.71633	43211.96001	22577.61964	20239.61541	50186.61845	37811.56515	43251.06598	36081.47544	33856.86717	52438.05737	37444.42213	18708.53238	27865.22164	21853.49853	35426.29244	17890.60139	56154.25251	23864.40602	25124.32886	46470.62446	37940.50445	32668.98673	50226.76635	33775.0441	35062.52084	29137.66304	35859.67365	21444.98919	35373.61068	29507.96124	43520.00882	22216.12755	64097.84609	24735.60484	42835.92957	33537.21293	64537.41819	28517.92898	31777.2657	36053.41517	33326.95442	26387.05092	36465.19148	52394.08234	61485.48742	21070.32517	27011.23304	36021.41563	30088.97875	47236.2351	32292.65235	39532.79425	28032.35867	23464.92007	36850.38261	39723.82248	40141.49439	23327.3905	79552.41594	33452.40044	44682.8995	57038.08612	53385.45043	62144.13981	24721.18849	44691.47559	31108.5953	23087.00629	47236.38623	43378.2461	49903.19711	65721.89228	22354.8324	50631.12885	71054.16044	50221.09032	14256.30686	49939.29868	38600.15218	31690.10013	51288.33419	48922.37832	53250.70937	40681.23988	50873.76323	50613.56617	45066.68579	65068.61586	66977.35962	63575.88186	43940.11969	38282.6077	25749.50558	32227.08761	55386.04087	44955.21513	53376.17709	38438.48397	73652.11268	50301.18824	55923.90034	51321.0675	69874.02088	51915.18975	50441.54523	49289.54494	55766.00718	39814.95907	60160.79173	43637.1764	32080.69712	37948.03233	27909.95977	42797.56415	33297.26585	35330.64301	41502.33938	31461.96227	51528.18376	32915.06933	54612.11995	45471.4722	45877.46533	46542.73839	45027.45845	45245.9868	38563.71459	39813.78568	31133.32025	78882.05633	72073.36668	46482.39244	33991.30816	50557.65778	42982.45614	50587.55727	36311.30001	72857.22207	72441.56702	82307.75512	76892.54014	81650.7724	88395.37192	76432.10719	76903.89422	47649.57994	79705.62023	39791.29089	49788.24668
MALIC ACID	273989.035	115314.2983	191519.7652	94693.84791	192306.3922	130839.9968	171093.7359	96783.34475	99473.6469	104275.268	331112.0943	90243.26687	217766.9409	152331.8568	114814.1587	147211.6866	230492.0148	101808.7232	105936.1548	81403.08173	90570.0416	97048.01561	86217.94692	84245.11123	73833.7253	66784.00506	73768.33142	80508.91417	105795.4687	86069.38803	199983.4256	140939.8082	340399.0748	183525.153	272764.1034	98828.10932	121076.8371	1443206.675	86969.58296	567843.5376	69755.75894	87146.27883	303890.9719	90383.94405	98368.50012	199763.0718	219297.6953	138321.5966	146174.1629	111307.4417	132570.8466	84665.82689	89184.34815	270127.9034	103013.3598	235200.8122	83604.78245	168360.3468	144324.0031	1251258.548	115697.5657	84324.40002	172713.8634	653113.2166	119967.8894	70777.72339	115387.0273	87998.43605	178001.6493	151123.0767	75824.26441	105168.0533	118895.8778	72792.30756	102911.6306	299820.967	94077.58314	61113.29104	67207.79792	42460.62856	81859.49171	160294.6275	127864.3394	62085.30538	75540.71247	94991.56073	172053.3381	85238.89765	201003.2606	115674.3813	70396.82259	96982.32331	255310.7564	110578.5442	98453.22231	82421.43111	86708.36812	88374.16879	237234.4023	521686.0739	121082.5653	125200.5999	107007.3752	120779.25	115996.8969	151913.3626	87573.05734	110935.8769	76298.82192	94656.03949	94252.7911	113835.7783	87602.10653	63355.11198	71075.68215	81405.4683	91483.48062	107734.2234	89933.77483	143524.3983	90967.07367	181649.0719	77424.61245	106993.174	164200.6137	161270.0843	121515.7281	77677.80312	71725.10111	60135.87194	200515.3118	186880.7034	101279.9491	161660.3365	95122.3221	166634.596	107445.4658	135621.8672	91935.68062	179017.7834	97575.94139	151132.6229	83032.75108	88465.35534	131398.7861	111815.281	73897.54783	176788.727	78248.84635	166082.5924
ERYTHRITOL	12991.40178	9741.223819	21359.87037	3140.486866	62909.06132	5617.490211	5954.724113	7633.658068	5718.404045	5833.662722	9424.128896	8902.774686	17226.20311	8127.699799	35442.43034	5497.896697	10688.21629	7170.008498	3176.024763	3367.652368	4810.163437	4934.984073	4044.54964	6914.959793	6759.079191	4095.919901	17673.06436	10887.01947	3491.321233	2489.063965	4273.985923	4732.664535	38249.49417	32239.54011	15978.19261	8334.527775	5056.605993	65789.47368	4089.948774	48664.35259	16163.38759	16450.81239	32295.49576	11772.48758	14235.90289	34483.82252	18274.95591	8154.134029	5934.608414	35744.49958	4991.911809	4773.471073	4916.83369	12999.76356	9824.629912	20822.96606	7260.515879	20875.64151	11240.8629	56514.26957	12108.59855	7111.056652	5535.150764	54505.3855	8700.638297	6769.914897	12030.33277	3727.219146	61948.13347	48262.91132	7636.897564	5486.078407	20051.49059	7183.490429	6510.832383	10262.97693	3298.53911	4147.827084	7663.614984	4346.999009	5087.528617	7422.097649	14558.25174	3377.917177	4816.678233	17592.90305	50210.26372	4594.507386	33588.32874	19231.15204	4222.206508	7913.24973	15639.57743	12119.85089	3452.031174	9723.136812	8490.512826	2990.137011	11645.48105	49468.99205	11961.30113	7459.979812	6410.217627	6200.622591	9133.016559	8625.576916	6774.434191	6217.537067	10635.0595	9256.482421	17427.05614	14858.39765	5392.964092	3410.350041	4277.636788	5484.002327	4767.661632	5992.2401	8279.258723	9211.101031	5338.917693	12687.88509	9491.684556	6394.441451	13858.96766	6848.915157	18782.85517	9970.835379	5290.232477	5076.659688	12974.41889	8657.268455	10124.27098	9408.8574	6019.311861	5453.206476	16122.52543	7899.750843	12297.75437	7787.919526	5262.236946	14481.9464	6605.245392	7605.247609	34146.68276	10269.15513	7204.165388	28389.82338	7573.386743	5454.880698
ADIPIC ACID	14354.36652	20628.30219	18992.28347	10870.92538	21720.74914	10636.7507	11680.10738	12218.06506	10017.27927	9602.089098	16031.98837	9085.346985	11918.38066	9805.988195	13889.28955	8557.852332	14346.97329	9113.656722	11167.90838	8045.928885	9324.986982	9539.7684	7593.982088	8616.205028	8749.564696	8140.031981	14052.83729	7949.666776	11841.1497	8394.104584	9320.162208	10195.76122	18322.71652	14492.53767	12048.23857	8608.460087	8914.646984	18752.54108	8493.537464	12345.13316	14305.16432	24504.07428	17413.4441	8960.105096	12623.22801	14548.59066	12898.51916	10669.79122	9901.232949	14402.25837	9094.751663	9179.396927	9617.233396	9543.341928	14954.60139	41504.78264	8915.745592	12148.36615	9647.613954	16968.23396	13232.57255	11779.25208	10109.96844	13837.17824	9942.547704	8458.731179	9358.16935	8990.826384	20099.46829	11697.60608	8573.397823	8603.765138	11430.85925	8162.847533	9764.458381	16171.76496	8403.681139	8888.7373	8299.811738	7631.02677	7998.363897	10065.14241	9405.477508	8503.410072	8802.133935	10019.5723	12577.0373	8533.181557	10853.51798	11044.54892	8255.966482	9476.087697	12197.81281	11956.42104	12029.77278	9349.741552	10196.30891	8699.881733	15970.10496	18080.10801	10950.09754	9765.20539	11386.08326	15684.47344	10910.1187	9891.600344	11060.83069	9071.099726	7870.087847	7785.059288	8585.427233	12495.21426	8028.587112	8231.104707	7302.785878	7506.881908	8990.095751	10694.05455	7458.795704	10686.76433	9789.573236	8903.322924	8384.646627	8748.532328	9576.255603	8992.156301	9471.719847	9574.629667	7670.749804	8543.345983	10086.87738	13757.38669	8855.355545	10338.33053	7841.662621	10351.14445	7573.604587	9114.219552	7989.232049	7911.878818	8153.865895	8967.345532	7738.229638	9435.750056	11135.55241	9580.023917	8321.578391	10469.08508	8797.447467	9079.025762
Iminodiacetic acid (3TMS)	4532.190898	4774.291709	5286.618362	4045.721616	4647.712762	4250.380262	5157.791461	4810.021694	3827.431799	4576.367737	6952.169716	4888.138501	6290.361819	3840.996274	5210.643016	3839.96506	5419.369087	4551.092124	5190.567083	3529.541934	5043.644772	4218.947181	4602.263464	3977.176335	3641.287142	4170.504178	7344.394134	3916.936366	5456.357069	4226.554479	6019.270505	4604.784478	12112.99529	9299.346971	7585.904112	4803.375779	3870.967742	11681.80464	4966.28368	9860.280606	8699.146892	8443.009531	12054.59981	6028.331874	6738.051226	12220.13948	10556.46966	5262.350143	10290.47029	8087.88677	4864.298125	4782.511738	6172.967494	10075.77378	6931.378466	8285.409136	4778.392149	7135.02856	6909.13413	12118.11246	5492.481818	6216.558428	5814.875975	12332.81291	7379.29144	5096.750983	5252.492408	6131.500166	7637.205066	8653.259525	4852.881902	5289.565637	8244.931395	4962.006395	7103.192702	10736.05084	6009.4511	4111.606793	6687.701971	5009.338468	6571.58384	7916.864985	8350.787569	6826.912771	5605.482304	8405.176088	10871.34711	5131.698456	9971.693719	9096.550957	5928.178293	6785.588559	8356.00933	8990.566643	6676.611723	7367.089935	5806.240552	5151.292007	10240.23324	11591.39447	7827.224971	8388.413963	3992.546118	3566.973467	4270.744799	5328.221342	3800.449945	4158.796865	3144.137774	4790.301744	4245.009685	3498.922339	5288.072218	3953.45156	5851.889619	4744.037231	4602.496211	4310.167751	4373.086983	5911.14247	3892.16332	5927.10535	5517.783392	5768.493782	7622.296209	4736.514511	5800.579324	6191.562473	6344.67107	4759.879613	6063.214857	6849.780203	6432.179517	5899.861223	7103.630185	5498.936916	7069.12947	6182.617617	6969.226504	6698.271186	6012.318604	5671.444575	7090.299485	6417.823974	7644.901553	7244.914731	6191.807919	7332.589724	7865.283618	7605.257244
L-Threonic acid	425773.69	302402.4835	1083131.248	136819.9394	731624.4773	111787.2	209193.0154	145379.0072	160384.6926	167288.242	313098.1659	135364.6289	710008.0724	211164.1148	1279202.002	133597.6829	250532.9288	165363.8118	128580.3046	68363.40131	108874.5304	165858.7161	114388.6793	169724.1481	113538.5102	80988.35468	247586.2224	174939.3881	130004.3026	68863.54506	170021.3257	111953.4781	1060740.4	714342.5816	438555.2882	187759.9344	109815.0381	1106537.838	111893.6127	914740.2503	239049.9504	466898.9827	870487.1833	194596.9782	351252.8361	782843.9534	740097.539	202698.7622	240390.394	1331963.953	135157.2704	146000.7112	159348.7226	425834.5812	308086.3124	828613.6801	117301.9136	1048199.716	405012.7771	915733.8231	344237.4249	150056.8908	214395.2705	1051067.799	237309.8676	235473.1981	183467.365	127163.707	730923.6033	742505.0795	166706.973	99516.85766	479076.68	111878.5628	163078.1072	324613.4785	114087.2796	117325.9766	119517.6738	65584.86477	120707.9759	214352.9536	337832.8367	83736.01701	128221.721	345800.5376	766006.7712	86738.73034	609914.9617	483144.1268	89726.45523	245004.8765	428245.9069	405868.283	128736.4863	187391.6819	136862.9154	68275.53889	253879.3003	463271.1254	473886.2151	213262.6933	110935.1839	109542.834	111486.0047	103132.6089	133722.3851	141641.0898	111382.2941	132588.0087	207153.3822	160097.5689	84092.84833	68966.25129	87130.99869	71084.9331	160565.7625	121298.642	130373.9774	145469.7667	123488.0854	135749.8865	86770.7174	76282.30407	153970.8186	110454.593	130125.9719	124992.0591	100647.0948	96919.43645	133947.239	128095.1948	132848.0218	136108.8793	127575.256	115423.0363	162508.1405	122988.7146	106913.2243	114334.6541	112562.4096	130245.0234	118487.6524	118573.1413	150126.8125	102799.236	120273.2967	124115.3753	119532.6236	93870.96588
CREATININE	936471.4341	1643306.053	4226421.474	1000127.677	1908502.967	846307.6425	609868.3617	1159662.338	1080329.399	951026.5293	1532765.239	1151012.209	2817554.627	604451.5767	4344759.069	894734.8459	1090986.703	523779.8296	974080.1899	399697.7673	341765.7236	485026.6012	773158.8978	915940.3735	809776.8079	572360.8749	541396.9048	497753.6959	799144.012	240873.9901	210806.5104	421897.8062	3202884.391	2344677.154	1685122.18	719958.8348	429352.7803	663501.672	715181.8945	358436.5429	735971.8188	1889243.296	3475591.825	758948.1807	1439698.8	3325667.416	3184300.24	502770.1861	1915150.124	4014585.196	784657.0008	1187601.632	824911.3046	890233.2887	1025746.388	2325289.892	813109.4578	3537975.586	1256742.141	852608.6465	1559238.126	1256992.899	1046780.516	738467.8251	1654223.891	1112953.013	797530.5273	823218.8188	1000907.726	1725733.092	590917.8327	581985.3604	1305085.866	236102.5264	798197.2634	1260230.372	405451.6142	673107.037	766186.7255	262556.7802	690824.5265	333792.8441	1182871.009	345736.7052	458782.6741	1916909.805	957282.6087	235795.8076	524037.049	1006505.817	108788.5538	566309.2469	1601115.888	1571144.546	529912.8768	581119.5739	341973.6931	314655.5764	389272.8863	248333.6534	925534.0358	760086.4562	533331.9216	689762.6513	493443.0063	531479.9336	437393.608	585019.8319	456194.1971	303257.9358	520416.0021	651568.4025	473671.596	695714.1376	419127.6302	584369.4008	751277.336	403679.1053	551050.6984	467224.9661	309250.7839	566904.7526	301716.3624	269552.9501	447545.3715	396368.9843	800962.152	512557.5352	545745.8756	550737.6996	668144.1397	610989.2375	630426.2693	685434.4703	348811.2853	312589.5307	669157.7097	410675.6559	327283.0607	239877.7094	337590.4064	360964.0077	454319.818	443052.9981	229636.8205	388203.4221	289035.7309	194288.9652	348694.4301	222559.363
CYSTEINE	35437.85015	20878.78379	43304.90079	22991.5104	30058.96492	18248.29111	20902.62855	16503.34037	15706.11657	18320.58406	16460.76584	15903.27957	51802.45931	22855.27429	46922.64612	23178.86123	19809.02899	14317.62328	22262.39987	16240.78452	16208.75583	17778.06192	19373.80881	12718.70794	20609.08598	14597.61217	18241.31018	11127.77546	20497.28824	14768.66937	28192.50616	16344.39422	61638.21431	51203.23267	36845.26423	21268.32513	19173.69953	44565.22939	8887.79556	35530.14614	15598.30231	31272.53198	57595.69671	11702.66844	24086.72482	54756.61012	51335.83494	19688.21387	33578.17419	58395.38246	21904.61926	20616.93497	17390.0523	34666.22381	19095.45955	29699.89672	18559.47659	39998.84021	18640.2805	34865.21616	21876.97308	15148.70377	16813.48323	38863.49417	17692.17429	11915.61639	12190.59011	21956.57122	24955.99838	37992.06318	15962.45753	15691.9517	22160.84959	13095.78185	17937.85633	17506.10609	20185.51727	6719.467803	17384.62351	15137.54064	12260.36584	19885.29859	20256.56308	15685.7657	13159.2644	21631.82033	38391.54193	15114.84775	40586.66858	23441.31475	14288.32396	15397.71121	32892.96168	34591.8921	20311.1706	20279.01935	16802.78862	17066.09542	17829.73761	33489.87157	31631.79814	9162.869477	18478.60942	19845.92563	22311.46148	33752.46817	14874.6204	16890.16904	8175.836819	15101.04272	17877.38478	13404.7139	14953.88562	10145.35471	13868.09045	15000.58173	17603.45542	14565.21739	14022.48317	19796.39149	10848.40604	24510.13921	11564.6115	15327.10903	22547.54755	23830.19273	18397.20389	13553.75242	13023.946	10795.60325	19559.70975	19467.6368	17647.20015	18222.43323	17177.73112	10580.36085	17917.18295	14493.33138	16483.5043	19587.72613	15928.44478	14045.32789	16177.54682	16937.70902	19682.47305	17030.05537	13232.26811	22548.18983	16149.35106	20838.25504
ALPHA-KETOGLUTARIC ACID	219520.6567	185070.369	255058.8523	137207.8107	418586.4694	170329.1937	214304.4596	127217.2767	151716.112	176841.475	289379.5394	140417.2616	197383.1166	283299.9923	141209.1115	261149.2311	194113.9549	136359.356	178245.2939	167931.8899	155735.4102	145109.2123	148455.3239	145800.0158	150779.5893	122635.7632	168866.4369	167754.4853	180442.4869	173832.7456	249666.302	173482.5267	346340.6935	296643.4559	188635.5932	180011.9253	106890.9342	1662348.39	91169.50771	634941.5162	164608.4897	172407.8967	296166.6177	168416.0241	241745.1299	320003.2599	200804.9338	303221.7507	162338.4289	153368.6528	257896.4712	126732.6434	143780.957	214739.8584	190694.8537	345979.062	169151.4923	235081.9102	289644.6188	1398621.079	163182.541	128553.3402	150703.1328	683784.3322	200157.7561	116935.1081	106104.8757	134287.2649	418787.7706	150073.0434	114313.3529	143688.0447	168793.1892	128574.9877	174909.9202	301598.8475	145355.935	95912.54007	147976.9159	120861.0989	118051.4765	206238.6518	142086.5617	123218.3856	121401.226	206168.3422	150423.4973	112189.8752	224435.3673	171800.5164	122828.2007	133406.8179	158077.6091	147956.106	164234.6655	164137.7381	128252.2618	167970.3887	180089.7959	546292.8371	167207.4805	123838.7444	176271.0019	202522.9538	163560.342	204833.9814	129987.7234	133625.6965	108105.7274	137627.4569	143294.4631	148384.0877	160933.4833	130294.1481	145107.9578	111738.8016	143411.8295	167359.3518	143183.2601	175210.8322	154546.5804	213847.2924	129582.7246	154866.7848	230951.6038	204024.8531	143150.0313	126994.3115	111556.3444	94791.93928	323442.9959	289914.8098	120058.7419	158677.2332	143154.5826	157464.158	143912.63	158856.2216	169719.4344	173104.3185	146594.8859	168312.9865	130277.5871	138135.8023	192181.9337	161242.0016	95795.95966	170527.8321	126730.4705	178375.2326
GLUTAMINE (4TMS)	2941.370323	1288.359366	9043.994008	5447.746292	2665.314605	4609.567326	3416.457502	2866.218215	7240.161155	3160.966309	3754.481934	1661.228766	1284.390481	6977.434353	2409.879535	11687.12503	1689.448358	2256.023335	1442.477232	1189.713607	3522.376694	2786.317469	1300.395235	3054.276892	2887.137624	1765.726264	1975.62569	3162.530024	1632.717762	2174.373968	2441.409487	2376.805203	1513.089466	2047.479886	1659.451258	2569.674175	5164.819008	10384.50078	7568.662634	8362.745384	2410.746363	6798.483876	1448.316424	3057.956014	6108.696593	3001.478618	1640.052557	7223.852052	2119.503005	2631.563158	12183.81164	1963.632419	2769.714562	2711.192677	1489.225745	6303.107835	3492.458675	8471.686625	3730.908659	8730.714891	2140.284826	2983.994725	2674.431588	11629.40125	3760.971598	1216.095872	2801.019608	4452.004832	2836.412421	3893.966786	2711.464271	3384.322002	6673.298031	2706.117534	3158.494869	4571.269356	4359.889484	4187.065734	2293.747471	3262.122714	1451.680041	3769.515986	3125.869164	1653.41938	4328.012954	3157.481971	3813.257306	5218.342177	3643.388632	4684.398803	5306.485639	7665.672124	2301.518339	1039.59443	1387.392089	2484.834004	2529.160932	2245.392065	1447.813411	5333.35661	3038.790599	2817.238764	3018.459249	3695.087826	4840.025327	4115.637606	5488.037687	4061.408065	5980.273487	6514.718095	2781.441604	3595.680085	2558.709558	2350.892706	2363.670736	1922.047702	2218.665395	2824.375214	2606.711559	2958.931111	1602.125659	3255.647065	2276.527399	2679.300405	1246.355051	2737.032284	2992.608821	2807.888886	3451.947976	3022.768909	4335.875046	4117.022889	2952.111526	2452.340954	5827.479925	4358.051527	3846.92966	3010.992232	2955.364569	2908.087455	5138.001027	4715.479849	3392.542081	4325.204931	4994.373604	4366.89885	3160.419722	3264.409307	1784.383233	2076.62301
ORNITHINE (3TMS)	7970.879895	4843.004209	13333.94479	6738.431935	3797.666441	7771.390872	6814.857618	7590.500797	7482.957029	6299.844219	11409.97058	5247.528515	3519.771762	3136.987656	3344.229319	9239.592672	2611.176977	9476.561244	4244.588611	6129.674707	15573.82098	5203.497907	3885.443782	7328.907337	6681.629053	5901.198434	4810.096641	3378.47743	3772.121514	5617.551221	3241.400648	5950.832323	4073.025713	8406.994504	4558.211394	9243.259049	5716.470139	6130.050435	2654.472839	9304.903305	6192.798816	6104.005136	4964.343479	5907.067045	9513.88846	13412.93034	3899.193883	4201.616188	4628.326815	5465.323485	8814.331077	6524.949222	5659.801415	6130.020154	4140.485404	6005.586592	6854.065947	9168.140567	6563.261425	6198.92625	5411.21998	6545.066256	5253.074921	10803.11801	10323.51181	2636.840274	3969.853039	6498.561516	2965.647962	3907.400048	4654.229285	4443.630486	10281.15035	3199.648833	5692.702395	10350.71495	5470.306139	1196.476973	5786.859191	5604.809887	2273.778415	6175.189945	4662.409536	5752.274791	5296.66898	5491.495371	3802.56593	6013.074239	4557.669569	9345.964017	9880.493583	3095.585732	4777.394128	2506.811035	3794.057923	7289.001812	3347.584775	5876.511804	2820.991254	6302.846203	6491.600364	3149.718561	12602.62701	13311.53142	17287.76047	11884.77426	7455.813161	10133.74728	3772.725638	15001.2688	7508.23671	3511.668868	9091.353757	3729.660985	11098.82618	5890.63409	5271.671576	10443.34132	4900.105738	9622.685885	3558.340229	10615.19227	6519.434349	7887.940371	7747.965357	5360.044506	9711.862588	5934.567295	5977.479706	4124.683765	12146.10749	14016.67425	7762.581761	9360.772283	13996.71312	4589.079333	7707.690978	5394.694416	7229.276407	9934.196561	9486.258224	6931.31876	7702.432078	8216.7421	4861.439075	6607.307825	4480.861271	7883.570896	3893.665326	8929.363703
GLUTAMIC ACID	1913.178945	1993.275991	896.389373	1552.695433	2741.681064	3075.081092	1376.574755	3499.766951	1967.178251	3425.445837	2257.056174	2876.205884	793.9667374	3457.391266	2105.28722	2339.493828	1106.539275	1109.350238	1206.262489	1484.37591	3282.736379	1586.622118	2927.997571	2743.816234	2213.264891	2317.197891	3065.936789	765.6829689	2143.932789	532.2947819	5268.450072	1707.639731	1075.825239	1606.114178	1098.149929	1789.942609	2124.856647	2624.957235	880.9654733	2988.069889	3819.805996	2051.335868	890.8003725	1994.132742	3421.883984	1260.31831	1352.407107	3914.739893	1233.544787	3666.548668	3582.769157	976.9945214	1616.098786	1905.040702	1854.28426	2050.373222	3095.272559	1163.269448	1563.558567	3302.627861	1018.988378	3824.22789	2096.763767	3205.933909	3923.762426	1461.438201	2952.567311	1712.174882	1934.225264	579.8691376	2584.211435	2224.431537	2306.544572	1985.395744	3461.801596	1497.474568	3280.431316	894.6412078	2902.520131	3247.13505	2150.058969	1366.192466	1117.638712	2028.555472	2487.277354	5630.729187	2474.459492	2767.221186	1839.311094	2157.481514	2858.018362	1350.423306	1161.620781	1248.446734	694.2632528	2444.041701	2777.90312	1295.911992	1804.664723	1865.656442	1918.431497	1299.123462	2479.383845	3572.592518	2254.305255	4515.996172	1281.697339	1405.349891	1606.524371	3035.895543	2110.915503	2143.155114	2355.447584	1253.773055	2282.895754	1834.205934	1594.328753	713.796645	2558.294841	826.5295837	1023.98685	3026.344559	729.4803969	1215.793654	5009.901206	3728.511074	1739.100975	2008.02749	3209.869359	2232.181802	3281.269217	1398.211308	1343.015538	916.0519076	945.1231994	266.6619155	2800.910584	1693.683131	3945.106737	2332.602184	1433.670851	983.5406314	1922.629617	1837.351644	1834.846338	1515.520769	1759.830838	1035.261674	2143.991078	1106.879246
ASPARAGINE (4TMS)	42823.33204	27808.31667	89320.98199	49256.02532	47188.83798	55962.93287	32187.89312	46605.24907	48215.36171	42440.5357	150559.0926	50892.23186	62502.21161	33169.19289	96099.73255	63980.64501	31903.08483	76637.03806	46169.90669	75227.40243	61211.30341	60888.15259	40612.47322	81277.92167	95700.10402	45064.72446	44589.55644	49701.73322	43899.38745	68702.29434	18361.12308	56886.23085	83584.7387	179538.4301	34891.26871	73326.30046	60656.33546	64300.14016	55330.65146	101476.5336	34017.76852	57082.44852	91754.27633	56952.82308	56749.48842	207249.8865	60758.88682	31477.29486	37008.13221	106225.5128	55784.55455	53426.71336	60293.84661	56901.83186	41217.29561	74996.47904	78483.6291	91670.96755	42716.46758	59786.38033	72014.35821	58638.35548	68661.96148	130747.7694	104935.7508	38614.87742	33520.49378	46013.97051	45172.74484	74135.93342	34850.57868	49057.84336	79244.60958	26179.69997	42023.94527	140175.7132	56218.27485	30291.63372	51245.9899	48742.76557	42031.6583	36740.88177	74170.56904	45891.27259	39388.73467	51332.95068	73022.68947	51175.36689	65945.8717	91908.127	62337.21081	53038.16389	43124.02817	45969.09219	46605.25689	68507.75928	42970.35399	69376.1994	35309.0379	46660.61463	73352.94369	43598.76589	47358.16751	50173.06677	64155.29151	36377.51208	51980.40448	48439.41826	46879.83126	75136.10778	48189.57953	44875.89515	61587.83472	42594.98818	43740.5118	55131.47179	62638.56017	44973.75328	38756.74773	50596.37805	45299.17417	79064.51305	39361.87608	48752.82565	36429.90817	37915.2506	82690.29887	46426.03448	53047.80471	37778.6138	62453.57275	68932.5451	58269.21575	55597.95973	62661.78509	38015.65525	62981.29845	42065.95339	59977.8209	61761.48022	69404.1342	70523.08046	54454.2716	61803.39248	70639.54336	53156.57925	51504.60989	65604.31368	46630.09895	66423.12634
PHENYLALANINE	6254.830882	4547.295059	10296.24874	5590.550705	4159.468189	5812.355302	5583.343867	6530.558225	5803.471213	7938.454742	13280.89087	5691.065738	7226.424275	3315.600303	5909.548083	5174.355792	4522.049422	5145.961092	4837.36447	4712.267502	4510.053135	5223.51136	5866.677161	6434.283	4986.205961	4880.184879	6233.245478	5133.684412	4603.199764	5562.313083	5498.281787	4221.144306	7283.942312	7577.178867	13974.18014	7492.303017	5898.785544	12260.65268	3412.149452	11644.25517	4963.981903	5118.153983	6875.214429	6252.488073	4842.568608	9305.980836	7134.317404	4206.338431	6698.941143	6377.310718	5408.303876	7707.468192	5252.033082	7543.600887	5342.752671	7463.851462	5159.366587	9842.558497	7787.4844	11352.92455	7109.533943	6605.749762	6384.904241	13319.73104	7807.246709	4719.891011	6187.907538	5486.079096	3957.684591	6502.818186	5242.701676	5076.192303	8817.179135	4842.18269	6749.144812	13000.64025	5713.885173	2653.136375	5944.623974	4476.123498	5367.342691	6428.449709	7086.703562	5410.985564	4821.882952	9928.791848	6288.310763	6237.75037	7557.896497	8802.056194	4037.761199	5294.351883	12866.43648	7470.845268	5836.575875	6634.576722	4011.461318	5184.205829	4293.877551	6698.55624	8499.929672	4641.030174	3744.486729	4975.107605	4229.674461	5156.812152	3503.815135	3392.67164	3384.42732	6574.121067	3089.386924	3056.849521	4227.740368	2811.027963	3054.554621	4295.520652	4863.014865	4116.740842	2673.493238	4225.044518	3510.490377	6182.758021	4621.097438	4947.597016	3429.516473	3686.648636	5912.943315	4754.699547	4197.38718	3192.336212	4748.49342	5552.220706	4008.024458	4639.300757	4718.012902	2937.438383	4441.69092	4487.761982	4759.079568	5154.602703	5487.961364	4519.57602	4258.264357	4994.062882	5729.594841	4194.603295	3881.177313	4434.193342	4553.136042	6150.353498
ACETAMINOPHEN	15076.54513	3647.284016	2343.697453	2388.948391	1082.27547	2219.873796	3371.915949	6089.203202	22312.40917	13082.1456	1046.933897	3744.279347	11540.16277	6147.022939	7614.807873	28627.33605	13634.14464	1334.435793	5474.920375	5028.476258	937.2847856	7543.960107	6762.842317	3049.187373	4605.739225	4121.346359	1097.632403	7892.511192	5959.646282	5563.986966	19929.06156	14995.59034	27973.00864	28579.33158	3381.701577	1222.917228	16274.29647	6154.330048	15317.9174	1799.725812	980.3742472	5360.758556	23613.56173	9436.608504	13655.38815	29599.1431	11813.58681	6682.564887	392.301822	8531.280562	28445.26991	22132.15041	7691.155804	14291.18299	2383.826192	2212.337449	5480.126219	2723.187103	23542.52095	4422.718282	16257.62926	5980.826346	17303.00234	1296.915247	4765.687498	7669.306849	11962.97823	2021.46346	1561.288417	875.9606182	6573.386307	1960.476514	10237.26632	3155.159834	12542.18928	1447.677314	6391.46714	2327.757421	4047.341165	13646.84452	7290.775386	3361.12727	7158.790975	3231.811541	16684.59403	1890.738394	1041.221193	12469.52531	3370.477863	11304.38346	13409.11502	3100.779667	3935.905058	12255.7799	6014.112148	978.4325266	15772.84931	5214.330343	12565.01458	6132.923657	1028.626643	1649.85258	427.1461675	6107.346347	1524.736323	2257.998086	802.9698725	17205.94485	1756.330821	4377.364584	7753.26847	10175.20684	1451.094843	5354.598896	1526.704438	4970.331588	7451.741615	6162.273194	1964.494407	3142.604352	2610.913144	10883.73971	18014.94828	3293.029042	4598.076337	6313.51661	1392.97471	4752.389478	1225.523	6062.440024	1252.613455	16189.1769	19772.23994	4705.646045	879.6196113	1664.706791	11363.85903	2533.782793	1031.882451	830.7978962	915.1462834	12110.99302	12367.4611	4992.915613	1094.377686	6851.015354	1688.778236	20221.51349	8325.03542	12581.31615
TARTARIC ACID	1867.042152	1959.533246	4085.114189	1179.951713	6913.668344	961.4973458	1119.557955	1178.481209	2354.115715	2564.579507	6886.664521	870.2450041	3697.253185	1250.838105	7510.800741	12141.69138	4628.98389	11066.51508	2177.429737	1032.482734	908.7295144	2722.385604	2075.684914	1325.536944	2045.927366	8025.155243	1373.589241	1618.195965	1983.718113	1931.660938	2976.210208	2076.948517	14698.28768	21430.89079	4025.808746	10934.58855	2469.491575	7253.534339	3092.061471	8501.589709	1527.800613	2080.349647	11566.92643	1109.756919	2624.989954	21948.16686	3812.190012	1343.478287	1219.235906	8084.886812	12519.32179	2913.504945	3119.312553	1960.21032	2505.117919	2715.24811	2344.903454	4789.353127	4582.516194	6235.659791	3400.720249	1293.608976	2268.947563	9334.295264	2079.918549	9696.329891	2048.506878	2199.450283	6010.068064	2533.289302	1717.049577	994.1918267	3736.578801	1549.996737	2543.899658	7586.374523	1050.252049	1615.425015	1405.2209	2968.133921	2161.621534	1649.420323	2311.338158	8367.509266	3437.427712	1553.167427	2364.575909	2100.363306	8840.039653	4331.94185	2328.253721	2444.612446	4186.865453	2144.528128	2448.639267	11353.66344	2042.39334	1490.047753	4131.195335	8236.588048	2666.968365	12978.11792	390.8447935	1369.924592	1037.026051	918.8259379	534.5300541	2752.266503	810.7525078	1407.216019	1228.470042	1628.658833	691.8515861	1121.136201	1123.402403	1469.458988	2698.269452	8574.689033	1396.293617	909.9665132	1186.676349	2210.050065	3049.787169	1661.788311	1225.682204	1557.172523	6791.528094	1606.652999	1033.489482	1714.756172	1220.637068	2604.214037	3188.760954	1558.809924	1346.91753	1331.527872	2407.284673	1014.802873	1393.401719	1024.198684	600.7652466	2376.69836	2762.822731	1722.051088	5070.752654	3962.231001	499.0734741	2369.275093	4424.542097	2535.277815
4-HYDROXYPHENYLACETIC ACID	2469.816352	1540.5097	3675.44101	901.6041292	3005.207942	395.8388056	1676.929281	4247.250882	3853.424544	817.2708038	2408.752413	2851.776049	7070.506016	6875.212961	13133.47201	7426.499322	1051.328545	1885.665725	1509.647301	496.7330919	1263.150822	1560.493443	1623.104644	1236.187611	1057.731446	1268.497748	3111.554144	1996.526799	694.6410172	1202.405928	2282.295223	1605.666409	1745.952072	1581.460235	1274.320742	1337.583635	1800.217602	2367.814062	2384.74228	12136.0441	1385.920364	2971.134377	1131.573788	3183.507983	1375.554086	1600.284081	8271.878218	6689.057971	1370.07536	14318.19955	7135.58205	984.8297643	1772.755546	2290.10212	1853.692594	3567.320783	1239.035405	3532.720578	1901.705592	2126.589432	1268.035451	4159.737661	16820.53512	14692.73649	954.3682205	6916.766435	1245.478246	374.6476736	3197.041122	5714.17377	2026.832498	742.446177	738.4219303	1130.61377	789.6237172	1323.184179	1126.772081	404.4599253	1639.815374	389.1028154	1287.491617	1645.307055	1683.553285	1291.822033	2288.34143	2178.867148	6717.153718	2230.627659	3091.595304	1591.911054	2040.684039	583.4521206	1190.20397	1998.681547	391.3738925	896.2651733	121.8329084	800.531084	2176.676385	2096.681273	2311.046423	1316.802491	1758.196548	754.6385265	791.1744406	1708.640719	1202.98632	2236.400982	1390.203857	1313.786103	819.531901	1447.310482	839.1349953	1283.247911	1201.313023	3079.697499	1109.048908	1432.157937	867.6053203	1380.909183	1190.616925	2367.590418	833.9179374	817.0088921	1122.861992	1209.053303	878.5847783	485.1144928	2134.481655	519.6065602	733.6121018	1143.550099	1645.133971	1065.176637	1677.359738	773.2601646	711.754027	969.6614392	398.6692542	1793.084743	1116.956745	428.0010341	1195.332134	1244.787096	1289.115111	1768.296484	1046.462717	918.6756274	2052.382117	1307.972873
XYLOSE	3127.115851	3538.080222	3688.892965	1469.796262	6958.111119	5327.941455	2180.730361	2527.865211	2449.225534	2292.543421	2376.574423	6514.622613	3985.314933	2917.706284	5637.529431	2060.777418	2495.525025	2049.886309	1512.446054	760.5315568	1237.395087	1946.308352	1610.735991	2437.879593	1897.811044	1270.757878	3436.5074	2408.687513	1324.74326	740.9721912	1290.040994	2402.160732	3207.811764	4492.429436	2925.435842	2439.527804	1533.21375	7787.134012	1533.875496	4650.118134	4013.445133	2029.112549	3471.915895	2903.00651	2264.563872	4573.238174	3551.770262	2344.003636	1411.213393	6942.502805	2063.387454	1756.902548	1934.019859	2903.723386	3578.401789	4826.651331	2222.15789	3151.729537	3505.675403	6582.085335	2648.317471	2174.686809	2810.180587	5097.480005	3680.415312	3521.488096	4361.206111	1260.496846	6975.02677	4218.603948	1425.692405	4117.465799	3575.670694	1940.906745	2385.404789	2450.736288	1323.621325	1486.239307	6075.99688	1797.366783	1202.506764	2337.511238	2922.662126	1094.381984	2752.139718	3210.902292	4505.82086	936.3497299	2391.104423	3714.263968	1136.725241	1226.923055	2396.414525	1975.346094	1356.762827	1670.736185	10633.30551	1015.865578	2593.002915	5950.780654	2199.744372	1491.881904	873.0480449	1893.058225	1784.848468	3993.894683	1306.955352	2837.8506	1817.451852	1976.446434	9290.787578	2062.040835	1094.027685	1087.294699	1481.447533	9928.446771	2013.201882	3504.507589	2716.344816	1700.657416	1499.67068	8267.224318	3121.522045	2078.34621	20925.81712	1687.71723	29686.11486	2137.391355	1473.420815	2252.355404	6518.878367	1765.044717	5094.569676	2010.444818	2278.004246	1055.957429	4523.528225	1481.459768	3823.676185	2944.055284	852.7366898	1601.126016	4317.265089	2162.028831	4350.107572	1433.907085	873.66279	2619.262481	2117.817089	1375.388214
DODECANOIC ACID	4726.924114	4042.994393	4730.196582	4422.701061	5753.774506	3549.110279	3370.11021	3393.88778	2844.433417	2974.95873	3656.224143	3074.358988	5571.589703	4868.705965	3309.369785	3681.929982	4819.025037	2372.585498	4535.09916	3349.017598	6496.604162	3908.182723	7664.067375	3121.006141	3995.183393	3554.053825	2400.824491	1869.664746	3692.297241	4018.435031	4802.709362	4896.924264	4956.868671	3575.423026	3922.440383	2301.928116	5398.888464	10552.25083	3614.15796	5382.842808	2642.747971	4571.213393	4593.074548	2391.611904	3189.430799	3717.502416	4401.685626	4474.325752	3845.511781	4067.943049	2817.686178	2283.671956	3568.548852	3703.682854	2558.959613	3208.769541	3960.281388	3431.818841	3500.921139	9175.473298	4413.277834	3472.380252	4395.681889	5108.188997	5466.639069	3246.06774	2945.018958	3807.167325	5520.203823	3349.91968	2803.017217	2600.015116	3271.408092	3951.809516	3651.653364	3754.35726	3908.36288	2959.197841	3091.368683	2950.840462	7907.060102	3338.798103	3343.834256	3676.897822	2722.068008	2874.467928	4552.74412	4740.307854	4014.833925	2528.088243	4022.439864	2678.339556	3739.252721	4210.882488	3521.230616	2596.721464	8095.119915	5279.600125	6162.099125	5951.362581	2752.585326	3713.166314	2700.217203	4149.669038	6983.098415	3987.232135	11394.88848	4049.603362	3930.322024	3636.845991	5639.041727	4613.66428	15417.47509	5691.922252	4974.249394	5208.84235	3712.532707	6051.009928	5051.477545	5898.822923	5573.100502	4925.238413	4080.448554	4737.096425	4158.506332	3463.565909	3763.911396	2776.702954	2530.187087	2882.644159	3786.127168	5945.732909	2990.552042	3756.72583	6314.662861	6262.10075	3487.306573	4335.922615	2771.27807	2780.136324	2666.697774	6176.428346	3494.091417	4567.278735	5189.111029	3407.371303	2992.167161	6649.328229	4746.595959	4131.926638
TAURINE	3283.501603	527.6138358	0	0	0	0	2127.160115	1192.291536	267.6071315	0	0	197.6102193	8614.760262	0	0	0	3165.608945	117.1363605	1174.916457	128.1140448	125.9791379	0	931.5844807	0	0	0	0	0	0	0	37800.13481	0	3402.898881	0	9689.394739	1076.717559	0	14930.30647	0	3882.974069	0	1585.26347	1697.66701	0	257.8004736	0	7986.60022	1186.463689	6463.440809	0	0	297.7392311	797.6824015	4306.045014	0	836.815173	0	0	355.9755155	10201.18678	685.1717606	0	254.4559168	3661.347868	0	198.1611121	1655.992521	0	1454.20754	636.4007814	1779.236483	0	0	814.4452815	0	0	1785.662132	258.9750865	212.8944853	0	0	3697.239997	259.4011636	462.0097141	0	0	0	0	3461.249059	617.0924058	0	240.6523583	7061.19089	1968.345458	0	260.4879925	0	0	2079.883382	3151.714065	0	1160.542689	948.0708845	76.98099637	0	2140.494967	208.5254607	0	0	0	0	215.5322255	0	0	285.8632325	66.89936009	0	0	0	978.2839991	102.4549789	1790.689982	1281.733452	1700.111638	4947.338643	0	0	35.22855245	117.5477902	124.3130071	0	1313.930575	556.1862203	986.6579018	0	618.2517906	0	0	0	0	0	0	0	57.93709523	0	0	0	0	0	0
ASPARAGINE (3TMS)	4927.049942	2511.68726	7624.812743	4425.726578	2553.894689	6071.971803	5097.600173	5426.882952	5911.577405	4951.289265	15507.49287	4806.705718	5110.469745	2829.773904	4934.052621	6792.060318	4440.68624	8666.368084	4470.168093	5833.265394	6479.247037	6098.544021	4705.710382	7000.350611	6450.409299	4836.677383	5088.306188	4477.948556	4205.210657	6461.746195	3795.538171	5688.457722	5517.808815	13268.03045	10527.45653	7218.250305	7614.3147	17290.94702	3288.28177	14041.94499	4597.407184	4785.421502	5099.740234	4397.993618	4278.745989	13780.8385	5607.902556	2839.839208	4283.12506	5089.728744	7123.000419	5309.883858	5036.054093	4853.800511	2976.084821	6435.730717	4840.343919	7513.120125	3768.942771	14286.52162	5580.759067	5341.899044	6531.231085	16459.7201	10158.4833	2662.789943	5351.782282	4907.767812	2190.850124	4028.299405	4038.11827	4926.77283	6661.595623	2476.554297	5139.110604	15617.96021	6935.285081	951.9900032	4788.659703	4564.320137	3156.580256	4567.489908	6348.800908	4912.872527	4432.685635	3558.134381	4268.234735	5984.392179	7207.352467	7430.284366	7673.631982	3617.864831	9828.615202	4213.216034	3786.684212	6676.534519	4576.630643	5864.796715	4890.962099	4776.452925	8058.390768	5324.239089	5172.945796	5290.336356	5818.297977	5829.123814	4868.922658	6758.782699	4262.293117	10109.46295	3306.273144	1995.411249	7319.061517	2806.115487	6081.038503	4624.78185	5246.698111	5295.560881	3678.001002	4259.203261	4606.533475	9800.579704	4083.085866	4315.539831	4604.060582	3861.259068	7146.124007	4442.262713	4987.052285	3890.233796	6207.723527	5979.081401	5005.675982	4089.06094	6065.515285	3066.315077	5646.774054	3317.015975	6303.299141	7780.254251	6828.892725	6524.574153	5589.184712	6655.882336	5688.198562	5772.46785	4708.798017	7313.532389	4713.593973	8234.467102
RIBOSE	8306.67186	4329.199745	26328.25828	3118.669862	7923.189113	2312.355913	3100.986535	2761.113573	3732.512199	2074.885489	6523.984095	2295.798068	9785.518401	2210.009453	23870.84829	2251.831483	4419.417323	3948.898114	2076.146229	1380.229674	1404.116998	2820.557152	1857.85044	3455.082167	3092.155488	1926.261576	3624.871032	2315.189616	1952.953498	1278.430902	4441.500646	2264.765186	18236.2417	23688.97548	5497.992097	3085.857619	2108.883465	8441.949653	2094.314821	10801.40011	3627.297029	8071.565262	17547.7197	2415.816486	5009.242487	27049.7491	10754.82664	2212.247729	3239.534246	31179.73948	2169.708825	3256.376381	3143.006888	8007.875745	4237.779711	11033.17919	3076.729873	25510.64977	4952.186961	7185.007064	4269.560134	2900.694943	2549.643585	10365.39643	4811.160402	2719.121958	2169.624266	3227.764777	6818.744077	13636.71982	2007.712328	2122.671062	10220.95901	1750.685427	1860.378563	7193.491973	1753.340304	1296.88264	2210.437108	1560.650465	1467.545036	2924.556795	5191.1043	1575.450868	3087.702406	4702.366975	15487.97814	2411.73395	7779.48571	10753.02838	2454.489151	2665.348946	4829.623045	5873.183481	2228.084764	3337.584863	1940.742391	1041.617575	3646.669388	4415.834221	5514.622766	2065.704966	1303.235662	1004.046279	1503.719718	1301.170791	2153.168119	1506.790065	1693.020817	1237.544408	1504.94037	2335.927252	1368.042218	1173.517387	1132.694963	1769.290285	3060.417057	1248.485108	1188.229172	2300.174154	1646.161034	1629.799234	903.178488	1317.473771	1889.368717	1615.254452	1872.886399	1421.067252	1299.476854	1148.716523	1451.309187	1640.331666	1543.90928	1545.33757	992.5115362	1399.771942	1342.092038	1079.232596	1129.58137	1094.698578	1258.183823	1370.554678	1475.634967	1705.442072	1626.326867	1270.091419	898.79779	1598.051668	1117.681098	1099.80294
XYLULOSE	3547.140418	6960.821605	6026.475893	2391.973908	5265.529933	3290.104641	3473.639225	5312.372326	3968.028923	2426.817643	5610.462444	3544.497587	4473.52707	3941.019356	4043.134386	13386.43312	4247.739266	4023.404304	2573.173394	2029.442937	2419.919261	2779.646318	4653.986923	7389.981565	2908.054814	3251.761489	3832.420986	3466.998951	2216.963507	2553.229478	5487.784665	5157.645243	6675.912175	5076.30696	6541.661341	4387.710055	6621.57791	8234.651422	2241.773507	9488.084473	3768.047107	4354.536026	5791.427731	4669.308362	3633.317466	6368.536866	4756.803466	3278.417576	2396.141372	3919.145132	13167.57534	3370.96259	2645.886608	4000.360291	6222.561445	8112.882024	3210.491272	4691.930761	8684.851726	6518.225487	4000.537848	6004.166156	10762.95639	11560.07462	9937.512937	14676.89713	8436.15545	2725.240866	3646.288478	6483.228013	3302.23988	3819.78965	6754.629765	2208.433928	1906.49943	6010.647127	5754.77374	2263.164567	1476.185728	16477.78367	3288.393497	2606.636464	13539.37846	3339.557396	3035.507749	13306.20642	5155.618912	5811.104737	5474.339222	6112.376391	3783.780598	2713.542899	6941.141498	3619.912142	2193.962632	3915.478348	3871.015049	1970.366403	3697.376093	9737.958485	6467.138375	2152.279169	3212.6716	2675.2301	2708.360666	2523.288634	4047.156124	2458.919634	2915.233518	3042.816278	4025.364098	4239.959211	2733.710509	1217.202399	2323.569681	2173.938336	2817.460993	2436.380235	1837.609216	3741.782302	2465.111828	3587.547024	1429.950366	2799.26908	2602.05858	2328.322693	3430.207281	2385.723773	1946.521575	1962.291721	3891.280285	3739.275428	3641.037654	3439.607528	1689.056807	1470.500897	2523.701121	3612.487176	2954.255614	3500.082549	2008.772339	3267.744808	2672.052374	2698.950822	3459.213004	3719.656996	2034.946512	3397.810649	1429.896385	2777.281606
LYSINE (3TMS)	701772.3719	405860.8081	989759.3934	469453.168	218634.0419	650282.5238	217194.2433	312272.777	490284.0298	252936.5947	542595.04	226189.8687	115767.6486	87881.81888	125842.9149	451060.8464	72076.7371	234405.3607	109078.0348	229615.3085	156375.3842	77350.32994	90573.96174	205099.1325	115797.5668	105395.4944	48556.01361	72900.01015	60563.41218	103079.9447	40212.81533	82434.68195	93614.90735	151431.7326	71036.85138	94517.79909	73408.41591	108096.1473	42671.83747	120301.0238	350009.4384	267393.4515	336185.855	401962.2854	582888.1072	1172756.75	224919.2107	177881.0113	206096.7757	313613.2094	422874.004	431075.1761	170956.2974	255747.2106	151825.2926	164209.4268	281941.9275	246838.1223	219025.3759	216530.6584	210057.1756	204357.5426	132994.0588	318706.9174	421954.385	161585.6428	100865.1574	153755.522	84094.18194	99210.23615	68024.41412	109624.4746	196764.8694	69413.51635	65013.68301	170872.1633	88866.04321	20783.20344	95369.69157	146270.9539	44383.48403	81563.15922	53086.41975	61916.63517	71442.86375	45684.60415	84836.65954	77759.45313	71080.41611	115618.1755	111732.0181	43466.31733	61573.33303	56895.33466	45256.43498	63698.92949	55670.30661	66811.71063	61812.82799	96828.50043	57463.04711	34363.46942	961542.3244	1372151.422	1309962.409	667856.84	198761.1825	270298.777	79182.29647	765130.4558	244440.704	118134.8351	262311.7517	82606.55979	169558.1437	187196.0442	73074.63093	87559.6257	51071.84596	106070.7366	37246.32541	186190.2706	66373.22179	77702.48879	81490.72986	65216.16992	72156.31582	55648.98501	41376.82214	46747.14298	917841.5939	834433.8336	453106.1739	486407.1288	455516.0455	106967.6561	215645.3333	134901.9493	200946.4929	296111.347	103262.2136	62929.93996	72154.49115	70420.53153	34720.98325	46217.14908	45046.21261	46992.02394	35635.31668	86635.62872
RIBITOL	48887.02478	43823.8506	117349.9648	16702.06522	143481.935	18430.93896	28605.90958	28852.07414	30203.57046	21565.25378	57645.72033	22213.77734	65443.09536	57439.07935	134635.5179	38850.76891	27229.93235	60512.41416	19287.88532	15346.31556	21333.02725	27418.98721	19252.93334	35156.70063	25856.47415	17122.74199	54799.39627	26582.95651	20613.34481	15440.4544	17901.45965	17228.53048	107184.0701	129545.0446	37773.91227	53025.75981	19906.48984	184892.5627	28548.02767	136325.8758	53818.8926	72002.93842	94489.16826	33429.28362	64402.51495	146924.0083	75038.76703	58336.23555	31161.7619	142291.0079	42002.27668	29044.6428	28749.39526	55829.96498	58449.00422	120001.9952	28513.44701	115081.9102	59177.51233	164087.0302	49992.98459	31959.78551	33684.55694	159222.4145	55802.56997	63600.87049	43735.73797	20002.8011	152163.7722	73970.81624	41395.75056	21253.61194	83891.05058	24849.18229	26724.05929	66804.79476	23670.39142	24763.81351	23390.82853	42344.18594	22108.20248	33442.04112	78333.47524	20440.12207	29179.96762	90945.25554	75895.10573	19841.41211	120719.72	85569.75662	23467.5718	53217.06612	40776.20507	51026.46824	23264.05826	55671.00425	31978.8823	19303.11956	39125.94752	94571.78937	62066.18191	70241.6324	21161.88598	20726.43089	34704.43617	33377.54842	42246.08354	36572.74058	18782.13348	25569.23041	39477.70708	45251.33839	17346.28993	18096.47011	17210.79979	13033.74055	26588.22728	25360.6071	26071.01119	37596.45645	32055.46079	35587.86098	26379.97331	26763.56729	51188.68869	28794.74737	68896.06613	41174.67009	19322.06349	21828.38262	45086.09027	48865.24178	31315.80686	50312.8576	29636.27963	36176.34133	32773.53543	35692.80375	32287.77377	32215.38244	32689.21189	39092.29311	34913.11575	41680.86412	87650.4988	60560.18726	32164.66014	35497.08815	30398.81193	31817.16037
LIDOCAINE	1797.537374	34802.78286	1834.357516	1815.310327	1877.863742	1832.587063	1805.738637	1726.290834	1772.232659	1743.821061	1723.820906	1628.655653	1658.704883	1648.732125	1714.403273	1724.019033	1743.496757	1722.593537	1679.251725	1747.009702	1679.721838	1667.787791	1686.634546	1696.506328	1695.988422	1695.097214	1689.531662	1691.49404	1698.388795	1673.882962	1657.440249	1653.621431	1552.417373	1803.947036	1667.231673	1719.996101	1764.342635	17240.13641	1736.462825	1750.138553	1826.784312	46877.95694	1837.965005	1837.345893	1854.679666	1746.399506	1775.5892	1770.841327	1788.610131	1799.9748	1797.375831	1808.132982	1727.831917	1688.86587	41269.5398	1760.480729	1736.965521	1739.685117	1782.848993	16957.76208	1753.85263	1750.48576	1762.97402	1690.893412	1678.255956	1769.295643	1741.927617	1750.690064	1846.222014	18962.35888	1727.414061	1744.196187	1755.361166	1779.559974	1710.376283	1778.473358	1752.367156	1811.014591	1759.458556	1729.345846	1734.384756	1762.828988	1702.852278	1692.343275	1734.906315	1704.903872	18567.4804	1792.628711	1791.53678	1756.429997	1767.84641	1731.31193	1714.991311	1750.158973	1701.62562	1748.24156	1692.123728	1673.584148	1749.271137	22780.89884	1834.649184	1710.873743	1815.0687	1685.715249	1711.264111	1817.058546	1762.186992	1770.705449	1797.677401	1730.18363	1655.620002	1738.163109	1630.443644	1637.492017	1718.616628	1745.200698	1702.736297	1711.742554	1669.541989	1679.938178	1688.818334	1681.925468	1582.386978	1666.231595	1632.066849	1652.464651	1693.929521	1732.55176	1745.75926	1635.697461	1844.791539	1819.00864	1801.899202	1826.017092	1754.560395	1781.705448	1728.957151	1758.757145	1663.432215	1768.909644	1749.801689	1723.494097	1701.944188	1720.903819	1749.138549	1700.285081	1705.26244	1681.529519	1706.999266	1728.59851
Drug-like	22856.28689	2092.050209	1997.615335	1668.875294	0	3189.923215	1578.817482	5215.124609	17248.54972	13700.6208	0	5485.855126	11212.29211	9172.446389	40659.3595	31712.75544	4371.527536	0	3903.14076	1391.202059	0	8381.745507	3914.67878	4626.372756	7475.916964	3739.384454	0	3750.606119	3058.23209	2186.649109	20676.56711	13364.5684	70561.50936	159888.035	2884.310794	0	8431.793454	6969.904316	11907.50441	0	1727.529031	17789.15008	56965.88737	6747.959015	10438.75539	164928.223	9540.24077	11030.57062	1330.725937	44765.97328	28991.67216	5525.051682	7123.850992	22669.08362	4504.952252	3783.859913	7926.93165	1621.966424	5516.134783	6567.391919	4609.709328	4247.261949	4774.721303	0	4219.694893	6463.826751	331.5468898	706.6952224	3664.750698	831.1830786	968.5034836	1227.332717	8079.342325	3372.859338	15045.61003	0	2922.364294	7084.085407	5921.164527	9581.728885	5149.966469	1565.392141	6583.794522	2297.638053	11103.97872	284.7189466	784.6281777	6672.164061	1538.930094	8399.833725	7493.311648	1133.43221	3212.750389	1690.653568	3129.289515	0	9455.587393	2216.941134	2788.338192	7509.179891	0	798.9780381	0	1479.496084	1346.764855	472.4352219	626.7511733	5915.926905	1260.171858	445.2339208	6247.758015	6126.445572	0	2709.503458	0	3009.889471	7925.102306	671.573662	2062.44087	0	2009.693817	5275.07891	6882.855892	2131.665621	7286.634461	3864.013176	0	1981.461696	753.5860805	3095.830062	1079.20305	3881.764438	5048.32093	2210.698025	1314.750589	1931.368706	3856.150765	0	0	0	0	4027.231207	2753.745695	1364.676728	1049.48313	3912.355972	4691.745393	3124.842357	0	3621.413878
GLUTAMINE (3TMS)	8381.916774	7395.796267	13911.15595	7534.748065	5940.308971	14614.27097	12814.7252	13165.84476	12381.4081	13817.45681	19101.08486	14313.71165	7615.114119	12392.96981	9344.640775	14984.59876	8533.83546	13004.43281	8376.107606	9589.336253	20581.63168	15124.61154	12788.06313	14652.72515	13072.11343	12936.4169	14364.96137	12233.44873	8810.10881	12522.31844	11934.12227	17213.64789	11497.20306	24877.03094	12577.59574	16384.10953	16985.91466	35832.8459	7888.171794	16013.18438	12645.60993	11699.96049	8224.280743	8462.202733	12579.05572	22125.71748	7371.654494	9486.987268	11895.44978	10333.65533	15873.22509	8653.121742	12214.61976	9612.461578	7553.220443	12044.62232	11696.14683	12819.73963	6082.48648	28871.99774	8735.939948	11073.57292	15976.07057	20593.95449	18386.41284	7246.44519	14736.70764	9393.035755	7377.503169	12018.85134	10395.57782	12722.74839	16044.00105	5228.940391	13667.61688	18169.47665	13094.27151	3202.477468	12554.90977	10470.61265	9224.03626	14675.55132	13547.89272	13907.11292	10674.87856	13498.29225	12423.37847	11693.91462	17609.01501	16347.09399	17425.66206	10537.91862	13119.68353	7695.449003	8515.501809	15845.47876	12076.12301	13604.56554	11405.8309	22590.96966	13261.45586	11779.36572	16921.88549	16316.5998	17409.83064	21093.02128	16679.09987	19266.45576	11573.44711	25313.16324	19210.15888	12238.98584	13702.79186	8279.70547	20311.75706	12541.01222	14417.06823	17193.31279	11297.23413	19215.13288	11525.62219	25355.58708	18443.77515	20486.87287	20044.50102	21849.43844	19571.66169	13930.87118	17509.38346	11276.4983	24561.55454	23930.27134	17083.2057	11962.84664	16068.84895	12111.43974	16392.24275	10719.6248	18110.341	20875.49235	21612.9672	20300.46247	20419.92636	21093.69174	21194.3118	21523.90884	13463.61538	22847.50209	12123.67779	14494.29851
HIPPURIC ACID (2TMS)	9816.950777	2041.129339	21380.65976	16184.09667	88489.32121	3684.721722	54766.84905	1749.883475	0	1902.508777	0	9075.412186	33691.06069	44896.07492	111221.9124	0	10032.08034	6646.340063	1193.947977	5542.679447	58328.90073	8301.135763	53098.62877	16595.2249	0	6765.698013	5506.183686	5132.55675	4294.659133	2577.779762	7813.725815	1348.80388	141113.1868	254094.9598	0	0	9599.200165	0	33469.74214	10734.18312	9559.562302	22915.32915	160301.7939	10403.66489	8571.711189	274412.9187	36329.14689	44958.1196	3803.181341	98518.02075	0	0	9036.560923	7762.590495	1489.817412	44742.61772	2466.49104	20489.43141	0	0	16605.4767	4841.843612	134817.5616	12838.95368	23859.76493	4508.755065	10938.72479	15175.56504	96719.87889	0	3010.306904	7726.207711	0	8401.302638	1330.102623	0	67381.43776	25326.43538	4609.19493	4153.888722	59796.38323	79361.38582	5408.826451	7013.070531	0	14763.89923	0	1291.887758	0	0	848.5662766	10815.50563	6102.510747	6813.952267	1775.36273	2845.554513	32492.72387	2784.286161	14360.34985	45708.00091	5840.911454	28631.47209	48161.63792	18527.6963	9034.333662	6671.027607	21320.70041	23138.39834	6215.769226	5747.670019	21885.08893	13397.18186	5143.506215	9540.574323	46524.09787	15897.03316	7430.741201	3855.985393	24489.95492	10954.31688	10806.74852	7518.767485	15896.65958	3420.218054	34748.87931	11604.1576	11454.35142	8168.404031	14701.03873	16332.98438	18351.98623	6261.02774	21653.42271	5489.616049	12577.85862	15403.4375	40154.45351	10218.37901	31061.82423	11414.77393	6889.552517	16291.6152	24273.128	28145.38195	106977.8967	8392.60716	12927.59456	9947.928636	9379.391967	15532.03381
ORNITHINE (4TMS)	5443.542347	3154.639934	10070.62276	6472.791524	2310.398357	7953.427854	4587.178052	10755.94276	10053.87587	6538.16643	17222.12007	9949.457386	3566.215499	3751.964739	4880.906119	12442.82004	4267.498896	14927.42139	6792.013479	6310.199043	18699.78332	4633.114483	9658.23162	13795.98946	9426.868979	9993.72814	11159.35663	9775.144059	6508.225863	6612.953622	7290.527176	7531.694411	7037.10795	19604.09376	6642.250985	11667.30689	10433.73423	9976.161835	5395.189998	19990.66593	6579.468162	4461.331424	4822.820174	8005.928503	13089.09263	15180.28664	3078.871672	2609.629835	5449.298865	6370.71081	13707.38721	9190.137237	4355.288318	7380.343853	4154.685411	10976.01052	8398.807284	15660.64542	12216.67558	7802.204012	6132.053411	10384.46502	9041.118431	20678.49916	16143.70346	3469.588757	6419.003269	9474.734625	3450.588945	3925.311064	5615.823113	9297.147076	15734.47237	3902.575023	7104.903079	19499.77473	8030.514553	1792.300773	12612.38542	8612.718762	5443.655621	5368.989488	8764.013055	10376.88485	11336.45616	16773.41259	3910.667617	9158.540083	7126.733312	18856.44698	14081.48593	4336.936386	5949.304857	5231.808556	6062.892083	10833.85295	5747.580263	7535.033695	5266.472303	8421.058757	13646.73218	6272.063143	6951.713122	5056.021937	6961.992824	7310.632215	8403.869763	7942.204174	5029.901367	13123.44283	8797.412818	5701.754386	6667.42754	3091.584929	9650.032367	7258.289703	4393.627226	12059.22629	4968.556959	8090.582267	5542.138832	13804.12296	8357.640556	9169.272468	16434.91317	11521.53437	10115.58246	6481.476134	8741.598534	5799.637966	12637.43697	11128.69486	7137.322738	5753.171183	13317.1134	5253.655466	10347.23223	4140.114319	9596.894927	9011.415364	10564.13606	6071.869704	15152.97642	10055.81465	6999.469428	6882.187247	7483.828428	9199.648	6813.77207	10536.38412
CITRIC ACID	13888.97211	10194.60361	12004.03559	9481.365839	11058.73958	11760.32205	18900.0644	11944.20628	10882.69001	15489.19993	13427.99025	14179.07612	11034.81069	14385.18779	9717.809221	12134.22063	14018.29509	7141.872804	12185.21027	13673.84494	21601.22284	11129.70386	11217.80636	8534.557834	12577.45014	11490.49898	9555.427902	8566.289651	12348.98493	13304.57974	17638.47913	16645.90453	27612.33033	20015.39368	13212.25526	8034.101789	8785.250096	71112.7788	12117.03759	46332.00128	9579.65693	13867.35147	23566.3873	9318.405919	7915.772814	20597.03578	11527.12508	13653.77691	9560.717352	10477.65331	13315.55928	9845.886799	10320.91598	13460.82394	10142.94674	18027.90949	11773.73129	12400.47551	9542.996375	61147.78186	11194.25672	12379.43529	10939.84145	49603.48549	11177.74409	8730.29447	10570.01678	9139.769259	11066.87016	7391.652347	10981.74699	10608.20121	13216.11422	9714.024712	15643.10148	13186.78713	10433.00992	9301.97461	13218.22564	7371.048445	10720.8103	20428.83753	23232.58124	11813.68429	9506.708304	8301.745253	7526.134474	6467.206845	5941.333142	13655.07228	10385.50837	9463.928116	13157.41334	8893.724513	12541.54803	8616.499904	12215.44119	14778.86375	14901.45773	90359.22324	15626.31865	9859.765382	19326.85152	20693.27849	20009.24083	18573.97245	25707.37123	20678.29823	19043.99516	16967.91086	19035.21504	26906.18554	23719.15065	20289.61775	15673.78365	9396.742292	10608.04713	25726.34942	18856.36374	24714.13052	24932.588	33659.81375	18885.78858	22274.73937	30043.63059	23046.92449	19726.93856	17237.73498	13452.23894	11674.51801	30361.57914	34795.81628	18691.70105	27485.81793	22026.7512	34358.40787	16879.23234	24262.05481	22389.24314	31343.89962	18655.80234	25514.60661	15135.95697	19355.00525	27825.87909	37937.32749	14421.97287	32719.7619	20520.97618	26108.17569
HIPPURIC ACID (1TMS)	79391.23401	19813.12654	109420.0373	111032.8511	258539.8983	74235.04762	302451.5912	56428.41935	46194.42574	61279.03462	48892.73237	67777.59078	327749.5798	128181.7782	170159.0966	42761.41875	85149.47579	33557.27049	52040.01097	44786.92305	152441.4757	64767.42699	151648.1231	72739.97082	55158.06612	56920.79941	78721.47507	40263.19647	53440.36957	43474.08829	50288.94708	40602.46941	450848.9136	328711.0197	62835.73878	45134.4177	84237.95101	329421.9245	104399.0392	153545.489	68825.31679	61290.68102	319648.4586	41768.38418	53575.51328	341868.1818	317974.8813	96956.51404	55575.09778	151697.0762	40217.48248	30615.30765	61001.10581	76766.83518	19422.05971	128211.7037	53650.81203	95414.19003	32479.34867	261051.1444	73231.53193	56682.47939	151276.0994	160315.2953	91230.55321	24241.11961	22228.15768	106304.8185	216979.7039	54119.8135	17679.50711	68184.11735	45753.48878	57593.08582	57352.33751	47259.37255	162211.9546	68537.24352	59310.76144	41429.93844	114368.2214	241684.4419	48534.69562	56136.15466	38568.70229	54076.14101	57418.03279	65125.60352	35046.0425	46858.62495	71994.95574	50228.24462	54161.71225	68003.59366	52828.66899	42824.34252	83917.49205	45994.55527	74985.42274	236019.5062	49138.63221	35764.10473	120960.4134	72758.27967	91445.96113	76996.6445	76082.42336	73697.94126	69600.67593	62716.27295	69440.566	68156.27245	63219.9088	38214.15121	123386.3622	53343.2228	65568.40175	68923.31393	96279.70393	81851.06788	57536.35181	61776.00117	82143.29042	62268.74094	167548.5268	66245.6554	70428.5077	64845.36976	78239.11083	72776.54192	73748.00148	66211.91451	72339.64599	43646.06919	110873.5956	85038.42545	115868.945	66715.52103	119326.31	58326.84733	73523.16737	70815.49996	83638.64321	78104.94071	160589.5763	32327.52025	33957.45939	38092.80922	48221.59126	61277.08858
1,5-ANHYDRO-D-GLUCITOL	17690.76365	1768.733359	18125.28662	35899.57703	19512.88215	37699.98106	21693.54208	25553.13235	18942.2134	28602.15304	15662.63676	30741.41834	11050.84483	21319.75511	11739.09068	16449.44027	10176.20941	7079.285239	23437.31633	17852.10981	31528.93881	19204.57641	22194.9862	20119.43405	19368.75311	20965.52737	16788.31295	14229.4117	24006.72562	18304.46815	19194.81553	14961.96671	10031.20359	2262.750899	17425.3497	17714.23985	38804.95192	21778.26092	39332.04063	20253.18671	15419.27745	22031.9522	9517.595452	15291.61742	20008.90246	2085.201011	10792.62302	20665.128	12110.67919	11422.64008	16077.52681	10454.02219	19063.16953	17734.21755	3059.509863	11138.56157	18998.92887	16999.04317	11010.2811	19397.56994	21329.77106	25038.36481	5462.868829	22880.04239	27734.29852	4163.152649	1635.670032	34616.97819	18369.29364	19501.73793	1618.011171	32948.44737	17270.99851	18575.04701	27176.73888	16866.44851	22652.85023	21890.9407	27051.6753	18725.35682	21471.10515	21985.41553	16289.48489	20625.15161	15908.51261	16975.15955	18943.92967	30756.13079	13635.98361	16672.03354	32981.5319	14705.18643	15739.61859	10393.02737	23317.94307	17055.84466	9575.728177	18243.7408	10337.02624	8238.333828	19202.66146	7670.417282	17007.19372	16934.13349	35363.84327	33171.61512	28720.71098	25166.44631	27835.8361	27810.39494	25580.98465	25285.05875	13094.63638	12279.55264	16767.3967	15460.73298	18995.72613	28079.42485	29655.51784	28751.58194	21562.26955	24986.12411	24153.02737	26004.32109	25008.16033	22635.46079	32114.08051	28491.81369	38349.67558	31724.8975	26112.4093	22881.30969	13334.05409	12388.30862	34436.75687	33996.72166	27259.89108	24574.52733	22348.76629	22390.85827	29640.47408	27632.20636	25374.85321	24045.04179	11209.06287	10171.67212	10585.13239	10552.15824	14594.27472	13888.71283
FRUCTOSE	123762.8449	473442.6189	503828.3041	138421.6482	264872.0549	2453986.182	144183.4149	229932.7322	593756.4243	172878.351	298345.1319	611329.4716	222885.7042	1035449.939	91849.15537	302212.4911	182149.499	146111.5322	197800.74	503797.4168	173848.9706	219376.3586	149330.125	193470.7126	199601.4427	238743.1419	274895.8122	405100.9822	181511.9057	344565.46	460548.5022	785200.0882	331445.2488	96991.01634	253287.503	557626.7494	341443.8204	380526.6469	555653.6335	377663.565	351338.7284	509023.9024	228750.0613	435921.9495	282218.5678	71437.05394	240711.8929	1367322.665	169186.4209	129494.3871	588843.6882	484749.001	173902.8267	107746.2648	310503.2719	300585.6533	204513.7944	406755.7772	433836.0967	319786.9455	213157.987	295346.0419	789927.5418	450841.2195	478528.9527	1938050.472	413316.456	154044.3858	215225.1775	781232.6137	704518.9152	2030444.363	613329.0425	115072.2798	151292.4743	385584.2878	168287.9957	252249.582	630913.6868	307256.3352	289842.2866	165965.0607	296552.8594	192193.7846	313217.0946	540506.8111	810281.5396	271923.8491	131854.1211	338050.714	899837.3581	386202.021	226328.5466	252469.1826	277010.4707	912623.4696	2035604.539	672711.0947	233918.9504	380309.3521	638122.787	261373.6035	309832.2271	258413.9667	185168.474	2087908.081	157231.1343	5642524.672	334410.5416	1771634.216	450044.4258	341839.3242	87734.71595	189710.0002	205114.0302	392785.922	169808.7827	1687490.015	654829.985	291504.5526	229798.0736	4872614.329	348263.3303	271019.2339	2975836.162	316291.649	4729050.891	2490459.992	317222.497	473255.8013	2769281.761	220315.2948	366471.4609	213965.3787	154497.2307	155455.5821	651838.1696	514165.03	697748.2673	2843141.348	161598.8521	222577.7727	805943.7564	604001.675	210129.8444	517003.9843	209041.8699	278312.1928	426532.4586	3063570.363
HISTIDINE	273494.7122	122627.885	279101.1648	236956.0876	257706.7528	202279.7383	300130.6151	246066.0709	242915.2046	250625.4505	363221.7064	227115.488	321366.3305	165691.5332	320943.7219	263972.5996	238832.9033	345195.6866	243565.3873	247254.8654	442354.1861	246602.4383	239136.668	354340.7942	238884.4919	255462.4508	259161.767	158041.9265	256978.1134	240536.9817	138496.8122	153771.3593	343914.7826	481906.4112	571427.5393	239236.5511	270938.3362	720825.2861	155616.589	515526.0625	231831.1077	221569.5837	378385.5315	168455.2208	205588.1498	499449.302	341023.8047	164836.4038	346617.142	367406.0563	262160.4457	209781.9994	251828.0462	320224.1688	152939.4015	315570.8652	235804.6493	296370.437	271045.9381	657428.6522	277152.5618	261140.3831	239782.0964	550633.2396	404300.8106	137651.2011	199187.1004	266953.3908	278503.2063	263431.3029	165365.3481	207100.0413	352583.5991	196133.0162	259005.7013	365648.1943	355837.4271	91992.29715	234596.2336	219818.8798	192905.2101	328672.4135	266472.5415	250590.3457	238640.4118	177356.6034	250931.3376	248931.5933	575288.736	345994.4614	213167.5093	194776.6319	581374.6227	238294.0617	246576.8965	234155.9781	157828.8924	243639.2645	238773.1778	364818.468	327616.3626	218841.2822	297834.018	300178.6858	396873.5205	294361.6673	352876.7703	265800.0047	263895.4471	468060.8102	273495.1794	158494.9825	409035.3752	233806.0227	349120.9276	295123.9092	252091.8115	324113.3174	213162.1125	246497.3289	235352.5971	289431.341	335685.4637	305596.3165	304073.0948	219984.3567	474883.5423	308572.6661	301180.7152	245185.0519	341825.7287	417254.5096	347238.5895	248352.3239	423893.0186	256158.7618	406912.947	243114.1727	358147.491	372369.0417	390032.5463	357588.2573	321745.1736	332553.1903	266544.227	280796.9803	322046.2012	370277.8447	266397.7194	307034.8197
LYSINE (4TMS)	30175.25989	17597.14843	31788.19285	31763.695	19245.59954	38159.34955	32801.24235	46807.80053	41460.79231	39128.43823	85453.82458	49839.57742	27134.75318	25608.10737	40381.0547	45404.9146	33167.70114	84061.9904	32434.18733	57443.426	70348.99021	26707.39775	39060.20723	65143.01548	43188.9105	56898.19811	33359.80266	41973.86078	37893.88467	59852.47511	40574.68978	43578.98798	30248.8525	70098.97656	49826.88578	71892.39704	48133.61955	69733.25534	34240.73163	97431.96336	23460.17306	21780.70522	26467.30873	31256.31588	33629.0517	53812.39012	26377.56129	20069.53504	25426.88162	44176.18153	44479.06057	44088.91193	24635.42747	44493.73431	24285.56214	52167.7386	38476.68124	47868.01589	53427.23005	63692.00339	37379.27648	44233.60816	26670.27097	97358.26086	71394.68664	31154.34745	28364.38803	41698.5195	23183.00983	37352.30408	29926.8728	45361.31024	47443.31646	26435.36342	42631.69897	92094.68592	54719.41681	16649.86448	58923.68055	51081.99405	27887.75062	36452.36542	45612.60111	56883.04216	45552.27851	36218.97785	38677.23925	46857.52187	38628.51888	51118.55317	70597.17852	29484.24218	51447.45267	36506.56601	34257.12698	68396.45457	44872.30106	57201.43259	32693.87755	39115.93722	62984.7296	45761.3103	41586.24904	36242.87785	38946.6599	50727.4291	32445.38689	43385.23468	26394.69805	71507.33598	40913.68149	16390.87812	57666.61775	27746.7564	58325.83826	59800.46539	28716.08007	57397.01016	37084.97969	53862.73785	33982.40251	66920.45053	51087.36359	55738.77932	46124.38525	44244.19021	55278.56671	43438.53773	49360.76115	45656.13278	62189.15263	55690.16219	47923.31117	46024.76079	68485.75589	32394.96846	54045.47157	38268.79672	63741.05905	75033.01965	55345.06089	41351.79387	55088.52946	57685.26964	35207.24377	42994.54208	40104.93048	51593.80973	39921.02283	64400.08989
MANNITOL	150723.5088	734761.1627	1448213.03	214993.8582	935924.1593	475026.7252	336839.4759	213956.486	772862.9828	69470.34342	199916.682	228908.095	1495645.9	160332.6042	1919421.332	1792660.851	614190.9013	334625.2785	193062.4514	0	0	1120995.225	0	1491101.824	1338801.388	203156.836	1378274.876	207025.9024	191528.4367	0	328779.24	409340.205	1525411.52	2590534.089	872988.0682	219943.3548	1382220.131	256452.8589	1634375.018	191104.0457	1395156.586	0	1717989.389	221838.6933	2209611.568	2582643.117	1542092.118	152621.1403	92427.02471	1942227.409	1801899.227	160338.603	1076606.308	149953.2747	677232.0636	200882.5877	1356259.734	1299009.539	701738.2778	229020.0622	1991031.967	202363.1558	2113578.426	221961.3236	1591270.831	803086.2414	1672464.77	205124.2698	884235.7256	264194.2002	1382391.893	400877.9121	1924631.813	0	68718.92816	187292.215	94988.81406	132287.9755	208558.0064	1341415.527	41420.57674	320871.3076	1333040.443	198848.6425	619408.9752	849921.2903	267869.4464	1269996.773	754002.8903	1851863.865	1498157.315	1166383.116	845405.5383	1107941.638	174269.1518	220251.6302	415611.5335	0	592142.8571	1223110.63	258100.2819	291390.313	0	0	0	183935.9911	13461.93382	0	46846.87384	638402.5791	204082.7589	1767851.515	0	1015422.446	0	896617.801	1135028.124	0	112060.7713	164936.3303	80797.00967	189809.7742	77346.54802	0	526691.9093	0	473570.747	107644.0184	0	804238.0921	0	1741495.225	0	177026.2703	103374.6045	61061.42133	73340.63337	100772.6806	93186.58165	130962.9944	76582.98726	1302471.491	78844.26643	93324.61409	275435.6813	773612.7091	91442.42466	1856578.984	68035.86974	132341.5019
GLUCURONIC ACID	5945.654453	2984.699199	8501.024183	1431.674745	9938.280878	1408.037727	2077.803259	2651.007291	4917.354884	4983.259318	8501.310104	2624.307143	5054.073779	3615.119973	8802.889341	4393.949843	2776.809168	3980.339466	2478.575547	1205.436694	737.9577942	5886.179043	2103.233278	3368.130563	3511.826693	2303.072081	2748.868014	1987.505497	1734.05496	1862.473776	2482.293013	2506.890089	11553.09009	10088.87446	4322.575984	1843.262489	2058.399741	12934.41194	1977.831158	15177.20153	3842.336335	8666.477357	12425.25609	2467.555534	3617.861802	10467.33651	4618.307508	3891.128675	1613.922541	10971.4464	2455.814511	1664.687766	6043.956044	5829.402029	2905.676453	7564.785691	3429.348927	8650.874192	3504.486837	11883.58293	2289.946917	2726.089823	4011.353553	17495.1105	2575.563474	2919.927577	1387.155026	1142.033485	11805.97437	5652.044934	1266.194507	754.0741516	4721.336415	1906.501919	6054.732041	8279.386308	1751.198911	488.370268	1851.536887	1886.716318	1345.304442	2728.859273	3361.430396	1296.334949	3862.479759	3339.338384	6734.378712	2467.254649	4547.517527	5272.217376	2202.147344	3246.786974	5272.454953	2443.805312	1364.136538	1864.208251	2511.675654	2532.132816	2139.358601	5673.783628	3413.059033	1846.032769	2142.991112	2013.305912	715.8788197	1265.88412	1758.662618	1494.475399	457.8085114	735.3280428	1259.374948	1538.274352	1274.463448	881.5165359	1838.919792	1475.858057	4385.681123	1063.562707	862.5966943	1119.958786	1366.816971	2854.22752	392.4319705	1474.059551	2538.407973	2360.270343	1335.381106	2522.017845	184.4685618	936.7094129	791.41557	1618.311354	670.3065031	1278.211964	1216.495207	1041.703786	1892.631761	1781.620988	1203.770446	801.3160688	576.268023	1072.587826	1463.672001	2367.963655	813.9324716	1437.307655	490.5471619	1096.917756	1216.521477	1999.988476
TYROSINE	4237.993948	2087.142174	5744.596288	3714.730033	4190.139963	4059.180345	4188.711726	4876.196176	3051.193894	5156.478877	8454.766939	4647.640349	3112.836164	4117.983271	2673.897639	7219.617038	3138.875328	5610.487149	2907.344487	4111.296165	6109.148325	3676.916149	3182.679388	5935.510139	5144.498214	5318.084992	2762.384267	3897.202269	2710.628517	4797.348569	2748.035933	2926.358726	5106.418211	6425.659343	5077.276188	6419.598782	2969.976769	8599.397424	3401.151854	12248.63635	2679.892585	2878.537212	3379.404989	3800.243755	4887.699146	8084.083315	2987.72476	3951.927561	3127.086712	3380.352675	5866.634713	4431.131228	3130.255489	3923.235417	2138.876069	4754.471621	3630.257939	4820.087564	3760.622809	7057.360836	4119.215209	4759.570781	5491.076413	13474.7296	8442.186879	3846.448729	2866.632215	3284.294559	4190.923973	3780.34378	3103.011459	3800.022093	4529.416928	2013.275517	4519.95439	8214.175618	4820.177924	1986.079335	4521.222003	4496.875649	3014.360706	4068.609304	5415.63786	4160.907999	2572.866065	6928.161034	3982.53742	2270.663034	4047.678766	4409.22477	4131.457059	3237.55331	4874.005305	3378.390204	2887.091468	5352.532911	4111.296618	4645.869594	3053.061224	7100.085543	5203.065087	3547.211561	5443.391032	4879.021836	5540.502769	4869.716902	3966.095522	3468.22174	3411.392481	7988.834548	2599.875277	1949.639621	3076.103674	1447.542943	2385.43988	3509.01687	2946.301373	4218.874815	3275.641382	3679.06461	1892.602413	5117.538558	4095.217499	3305.803485	4544.218131	3497.166023	6627.781573	4411.076781	5802.32186	3458.954898	5919.321117	5519.478551	4959.427236	4834.075914	5248.474995	2522.894915	5677.318964	3291.807123	4642.639312	6057.336258	5079.091036	4158.216758	4392.150633	3916.777091	5091.742317	4682.018352	4419.471823	5358.474068	4475.752075	5033.102661
chiro-INOSITOL	5060.666886	5157.118492	4425.693234	3407.337484	73125.89199	3194.199251	27020.47106	6623.77793	3780.172261	3409.751447	4972.074101	21986.30843	6912.929052	4790.1164	4537.453997	2929.108337	4546.458377	3160.95914	2454.506272	4372.765283	3473.664761	2876.933939	3154.568812	2874.447222	2787.074307	2731.931676	3834.110518	4315.001297	3105.786977	2454.470383	5185.02558	10215.52199	21261.39086	7007.131604	6702.827069	6141.532746	3388.125974	32907.70436	1825.022429	13782.92448	3947.071969	4595.905971	19601.89678	4555.392916	3371.807633	8688.337544	6453.674878	4735.229708	4749.952304	6122.314288	2671.499611	4297.329388	3281.728753	5540.04301	5446.886057	3384.817614	3816.11325	4752.81974	5652.819873	30027.12631	11599.98129	7680.548019	3863.851393	15258.05852	3184.210968	4154.306171	4664.882159	3417.347004	70895.54076	8455.678632	4000.115161	2559.317205	4595.535531	5017.172754	4160.775371	5392.924047	2316.62938	5192.178832	20653.11102	2671.839332	2766.921814	27263.91313	3290.478218	2353.485381	3189.914411	3474.02579	8953.43312	3283.498255	5116.629044	6172.095011	3582.83539	2950.732633	5774.375743	3009.690047	3074.837495	5928.287131	12842.09101	3806.846075	5026.822157	5958.345699	5946.709557	2530.382266	5160.240315	4026.04992	3610.196852	5529.914841	3268.856869	6653.720842	37077.69562	4721.671127	3022.61025	3570.766414	3302.735341	2178.410214	2475.380817	3653.868528	2754.45975	2826.086957	4264.566754	4572.791721	1947.770478	8212.28142	2505.973511	4529.928297	3260.869565	4306.873702	4761.635884	4363.720366	2430.09689	1927.396842	8660.681343	6481.127785	3298.076172	4680.690478	4893.468941	2870.327477	2374.434487	2621.720651	6288.882728	6052.619166	3282.044702	2185.390515	4664.461703	3444.67581	15406.41234	3385.834358	2466.94633	5533.353138	2744.28582	5494.062264
scyllo-INOSITOL	98185.08643	8070.651174	21223.51646	15545.10744	40226.34518	7288.809613	144884.0415	10496.4237	8679.804818	30500.01163	18077.13524	10774.10003	264008.3156	44208.00404	81247.857	21119.23316	105136.9226	11122.78647	18677.75719	6359.115314	5421.022279	6912.424463	13639.25136	5977.922798	2999.638189	7177.606636	15469.91507	6244.432165	19535.43405	6261.4382	31572.02683	10184.10319	369765.6367	120916.1646	179252.4133	9099.92604	9686.241068	591706.8568	6166.179492	191739.9294	14931.52603	26814.90444	345637.2837	6635.268467	9765.506668	132598.2932	274474.1297	43215.02146	139196.1986	88601.35958	22772.75178	12048.79548	6357.269565	102527.1063	9357.804679	11117.4358	3506.933387	20415.20485	2940.512272	538877.6491	43403.17564	10920.69716	3550.629676	208448.2671	8375.056641	4171.409362	9188.66818	14883.78336	40308.56524	73571.73642	7336.327518	7162.250943	8270.091571	5064.627686	30826.11174	18685.23393	14937.17764	1664.322409	9973.784068	3383.176924	11707.67523	147709.7913	8783.312048	7372.975534	6551.006246	8306.859965	74802.20955	6750.442182	515062.6441	8739.410191	6421.407441	26158.39196	174153.366	84745.03101	18696.8951	8559.973427	15435.55265	5995.336279	103966.7638	73888.95678	107522.6732	11444.60476	7419.395824	7949.271209	11521.94126	18698.13812	7584.452812	7590.424025	8299.876559	9571.375842	8520.372404	9439.963846	7807.107647	7987.140229	3978.024622	15363.58348	6358.017334	5839.324432	16173.96628	18965.38207	10104.20009	19219.92297	16382.97985	20088.08811	5941.811377	6266.696778	10745.1596	7798.792989	4959.702057	4650.287883	30201.08228	29632.86342	11764.59989	15585.05588	13697.853	12360.8785	10967.92784	12522.35087	7482.672581	11304.5119	9075.054827	9911.240054	7813.625765	8679.091592	102508.2647	56124.14348	8583.154281	13419.16607	16973.8317	23166.10103
PALMITOLEIC ACID	240567.4226	99010.41731	113839.0046	180765.5769	398411.9532	87382.02721	127098.7197	200992.0418	110742.6836	53195.84273	285630.8035	81819.85983	377913.7916	967815.1002	143608.7046	141251.7528	912141.7114	229612.5313	276037.0779	627054.7746	329643.731	261499.6748	514832.8264	327447.2104	397512.5503	211608.0257	123042.9592	26604.94593	284213.4761	627610.1415	165306.4607	134045.8604	200526.2695	164435.1842	442064.8109	52503.45433	255217.4552	1272341.106	158360.2003	1064940.641	120759.5769	858362.7587	211872.6413	31756.68641	160333.966	196703.3799	414443.2344	951907.4912	73643.04111	154618.4353	163060.931	105807.1204	254275.808	251900.5371	101586.2591	556918.1024	409919.2311	113515.6137	335427.5866	1184158.237	316812.4313	211453.4283	359258.8457	1126268.029	470138.7918	173118.5015	233568.6871	180953.0757	385240.6858	238153.822	165816.7789	81833.61531	98419.58983	447569.4177	55306.72748	291035.9014	185686.0809	271519.3809	60279.05013	92937.92801	520220.0356	129999.2361	541289.0592	214255.1715	82514.45755	114170.5927	241922.6657	180264.9505	171556.3677	98889.35076	111769.1428	242844.1992	418810.0247	655639.3039	272112.6249	53232.20727	240396.6338	624983.822	899288.6297	470008.6707	212887.1874	272898.6193	101998.3906	190758.3471	342138.1675	214606.728	172420.5988	32970.53546	373573.543	121411.5992	594768.2408	686693.782	550620.9273	247747.0839	419148.8265	457605.0029	250498.0504	340774.2782	636040.4029	676216.5552	506817.7596	108881.1271	509798.1402	952440.1962	63967.2281	373175.5413	178181.0585	114648.7251	87704.61753	150195.7385	139199.3605	916779.7484	204289.7214	451315.341	107699.011	313627.6711	62516.78529	353817.3824	55179.92792	45974.55129	58717.51202	220672.1627	29182.66967	185879.9842	517669.7976	391168.7193	151028.2733	548777.2478	241787.911	140464.1863
HEXADECANOIC ACID	45902.51356	25456.75407	27264.66722	34432.80629	42522.34658	24375.85139	23041.82693	34375.05395	24437.31613	23273.61715	50413.14241	30828.27998	75098.41649	46257.92765	29771.75578	16593.10852	62696.14339	25909.52939	34626.17058	48206.98571	38934.83239	39590.5025	49603.35978	32018.72943	46090.74669	33049.31038	20739.00115	10556.05047	34078.17117	46842.49877	39223.3235	31140.99879	38379.37976	33187.81494	48174.10345	17077.84129	42901.75552	86790.78699	30955.92279	54071.69734	22711.80042	52306.28673	38279.90982	14263.92861	25613.12619	36265.73215	80570.31925	48354.00299	16868.97835	34367.51885	20545.80313	17383.39049	41698.91953	46368.93838	27365.78035	44066.00629	46231.6533	29955.63803	27175.37291	80231.13874	47275.68225	36255.47756	43993.84134	59337.39524	42811.75003	35109.31298	40623.49396	38571.78705	43771.46233	44926.98462	36556.11217	26563.52653	33230.74223	42559.36315	25543.89966	53810.08276	32521.59793	32842.14593	29530.16592	24746.36261	51801.44763	25595.10169	45221.5127	33365.67589	23091.60305	20879.38942	44354.35971	35315.38314	29679.79266	30200.64285	28977.35978	37652.57186	47617.87707	46691.90785	35274.6991	17738.24162	32089.99842	47979.98393	60816.32653	30109.46038	32185.86219	30211.17885	33335.55175	44103.36806	50405.8548	37905.65832	28266.65414	11784.635	45586.70198	22968.76442	49940.67362	52126.35287	43707.30276	41719.47578	35441.31211	47750.4363	39903.05755	39838.52562	53288.4412	61585.41366	44172.1694	29077.1275	37550.04299	70548.80115	25459.15481	55425.86768	26497.01021	21330.59975	28416.30539	30661.69415	24951.42049	71376.08004	39716.26094	77611.20444	29393.56544	51122.47443	21984.84281	70500.95266	26975.88023	24491.14366	22708.92632	46202.28076	14427.38088	31809.18618	46836.09989	31174.72696	31496.19726	63911.01346	38817.16331	30952.28492
myo-INOSITOL	225681.4165	28289.30416	55552.29448	49059.9718	136322.8924	22888.40156	314258.1123	39105.09083	26455.88913	159875.8399	39666.84288	56004.58195	269353.7686	50959.01252	123323.8851	19241.20176	197965.3393	27991.57078	80760.25323	22436.26326	32008.77935	63761.19503	48227.06599	25749.00754	27116.59355	25550.2003	68304.38602	25646.43264	84796.58964	21638.28505	77761.5717	32456.17903	257183.2939	133806.5688	295234.4961	26126.74078	52279.23663	320278.443	33731.3692	183206.2538	64395.36484	160752.3828	261463.3877	29291.58067	66147.76851	140590.9816	275061.2578	49223.48608	226399.2893	129686.3844	21602.06099	23889.65567	57560.41652	218336.5797	31029.97385	101850.8521	26714.52972	58180.86926	20258.5131	296077.9881	171878.7269	42436.44278	25485.55243	197499.7323	33736.86065	33830.702	77976.80914	50277.48438	134657.8951	229904.6798	68484.48206	23422.8106	30796.64141	87479.01602	154586.0889	43121.45787	97040.25187	16404.77383	49265.42605	16044.29431	47659.15871	303295.9026	39047.53796	26174.3452	23240.22669	36442.88856	231240.1996	37933.21861	333857.6564	32598.1698	32642.10539	35047.52451	297912.2839	167707.2334	80506.74411	29818.5908	31290.18794	22477.35083	190644.3149	173994.2855	332546.6765	28478.06375	35289.77572	36675.54477	35945.10265	59509.27306	42360.62569	42550.64218	35006.77125	34126.14192	49767.93726	53862.19843	37433.8991	36043.38262	24528.66939	26090.75044	59834.15348	38170.14721	48137.34765	61716.44883	47295.35744	78484.80941	31997.97454	35777.88022	52028.65909	48783.51061	64661.24233	51852.38659	29285.11158	29420.19977	54916.36945	58260.4214	34415.07349	45444.08736	42524.69544	43064.41459	50691.2947	55684.59622	39819.79484	53526.02656	40158.53203	41614.91397	36510.67403	46171.27582	66232.88031	37431.2093	30458.26086	43835.23253	43162.04544	47998.57103
NAPROXEN	29958.95623	30675.22301	30572.62527	30255.17212	31297.72904	30543.11772	30095.64396	28771.5139	29537.21098	29063.68435	28730.34844	27144.26089	27645.08139	27478.86875	28573.38789	28733.65055	29058.27928	28709.89228	27987.52876	29116.82836	27995.36397	27796.46318	28110.57576	28275.10547	28266.4737	28251.62023	28158.86103	28191.56734	28306.47992	27898.04937	27624.00415	27560.35718	25873.62288	30065.78394	27787.19455	28666.60169	29405.71059	27590.46915	28941.04709	29168.97588	30446.40519	30865.72176	30632.75009	30622.43154	30911.32777	29106.65844	29593.15333	29514.02211	29810.16884	29999.58001	29956.26385	30135.5497	28797.19861	28147.7645	29583.34813	29341.34548	28949.42535	28994.75195	29714.14988	28256.56965	29230.87716	29174.76266	29382.90033	28181.55686	27970.93261	29488.26072	29032.12695	29178.16773	30770.36691	27985.96224	28790.23435	29069.93645	29256.01943	29659.3329	28506.27138	29641.22264	29206.11927	30183.57651	29324.30927	28822.43077	28906.4126	29380.48313	28380.87129	28205.72125	28915.10525	28415.06453	29698.26562	29877.14518	29858.94634	29273.83329	29464.10683	28855.19884	28583.18851	29169.31621	28360.42699	29137.35934	28202.06213	27893.06913	29154.51895	29096.3263	132242.1859	28514.56239	30251.14501	28095.25415	28521.06851	30284.30909	29369.78319	29511.75748	29961.29001	28836.39384	27593.6667	28969.38515	27174.06073	27291.53362	28643.61047	29086.6783	28378.93829	28529.04257	27825.69982	27998.96964	28146.97223	28032.09114	26373.1163	27770.52658	27201.11416	27541.07752	28232.15869	28875.86267	29095.98766	27261.62436	30746.52564	30316.81067	30031.65336	30433.61819	29242.67325	29695.09081	28815.95251	29312.61908	27723.87025	29481.8274	29163.36149	28724.90162	28365.73646	28681.73031	29152.30915	28338.08469	28421.04066	28025.49199	28449.98777	28809.97517
URIC ACID	309791.7853	171263.4511	386746.7669	106907.2558	362397.0305	110955.8163	195517.5548	281924.0087	104807.4765	337796.7402	338812.9769	354553.9926	237093.6173	411195.4407	342548.0604	224510.3786	221750.7032	96280.34636	62753.07723	55114.07973	315998.7906	99909.38353	252114.1964	146748.9284	89834.81073	274537.3797	268564.0107	137836.4664	59556.83375	55686.73838	105380.051	75529.71007	216276.5787	121361.7395	191759.4296	98271.97725	164517.3053	529859.5093	228423.5812	506787.6207	254855.8972	376289.5699	200192.3737	137601.8961	327624.8354	134181.1133	240362.1018	424336.6724	181868.8591	319451.1277	233154.9937	93910.81083	88098.11782	314051.364	167185.5586	417321.3699	85336.53707	378529.9661	249461.5796	499751.3422	333485.7236	316107.3865	131557.8226	513677.6368	179939.8066	122690.6269	337713.8942	111586.6504	374392.9007	375595.6812	372080.9581	99842.44094	269484.8015	130253.1127	333741.1631	341305.0438	199078.839	246498.4033	331875.5242	61429.2467	262019.8645	203400.4971	403983.5391	255133.1592	83515.4985	363279.2121	390011.8793	130022.3481	352192.841	297610.0843	195927.4712	160744.8104	212076.3971	372501.5022	64908.50926	100305.9423	261534.6434	55774.42317	207777.8426	235701.7743	344212.5991	124042.9087	349724.4121	379148.2643	368667.895	344249.6154	336796.814	291504.1553	248577.438	150128.0336	310276.4334	291929.1293	349279.6157	312802.4584	122002.3029	81738.80163	98779.13807	295203.1268	356929.7123	359323.0969	331061.8727	300774.2464	186195.7835	178231.2396	153519.2801	145088.0488	340725.4535	311062.343	305207.5999	262012.5622	302729.0616	333105.9573	217755.3141	171996.2019	271449.7933	244647.7568	399488.2287	381395.2807	339286.3876	318568.8342	319720.265	267591.417	267429.8941	272244.1159	294432.492	225916.8787	256879.5971	246139.4885	281188.2991	244232.5311
HEPTADECANOIC ACID	13443.78202	9109.927729	8836.100156	14631.40124	13282.7562	11898.9878	10797.11323	9305.858456	10703.69451	10707.64259	19971.03981	14027.61114	25925.00442	12019.25719	13423.20616	6494.954371	20096.12479	10360.25173	9215.733469	9910.203701	14816.82633	11201.97466	14464.01565	8979.607994	11021.0981	10485.87136	9312.135343	6057.80399	9614.578969	9309.579074	11391.58683	11173.52001	20400.83417	15521.76161	16287.18621	6816.917882	14002.41127	33163.74392	14982.78008	21452.03162	11060.57008	12590.12791	18948.19389	7237.305471	8716.376203	16991.88506	29100.13139	10910.15341	8278.283888	14714.79399	7363.848781	6852.221291	14510.90838	15819.04365	9592.696463	11511.19666	11755.78265	9520.136855	8554.109467	28677.59254	14640.57713	11741.67498	17428.1735	24209.64824	12758.10178	14878.59683	12559.29812	14864.52577	13423.88027	16166.37095	11719.3528	13087.86679	13806.50069	11347.06758	12984.60661	20385.45446	12166.68516	11141.36176	13653.98488	10325.92405	16500.93657	11987.23712	16993.89811	12482.724	9313.555401	11255.77536	18480.63673	12964.88838	10952.26152	13040.90725	11955.35599	12601.06533	15447.4984	17121.22184	10645.36988	7194.014021	14238.65713	11555.54068	22671.13703	12509.67453	13245.55556	14876.0472	11226.80493	14760.68463	16101.28402	12447.45672	9946.370776	5099.041458	15125.05842	8985.997047	16391.18989	17233.88723	14744.64535	15962.81801	14142.49623	15043.04828	10886.72831	11765.37715	17531.86043	19657.5166	15143.634	9803.382913	12043.01983	20597.39957	12001.13157	20580.34559	9355.008103	8832.548872	12239.51817	12880.02704	11807.89571	21803.2439	12657.14063	23746.13493	12649.21074	18097.37614	11690.63193	24603.83995	12603.82589	10607.5615	9551.584154	16056.64551	7553.795619	13568.17934	16518.86446	10889.75918	12959.42612	20516.90217	16982.3667	14664.85356
KYNURENINE	1675.904012	2282.850096	4879.390993	2467.006735	3484.689151	2348.15489	1804.534812	2172.249299	2601.637543	1747.308703	6227.590328	1871.325346	5450.504246	1316.78739	3339.086109	1326.34531	3275.449241	3120.191093	1451.433241	1859.400659	1155.648625	798.8703517	2153.832315	3015.257247	1021.55036	2407.038044	1685.026244	2646.624342	1316.817446	824.1083783	2055.225909	2110.572153	7035.555533	7654.147274	5172.864137	2997.953205	1515.570324	4487.313902	916.8523717	5293.585742	1817.65039	966.7144056	6551.732588	2283.820945	1589.460474	8467.12694	5458.753063	1169.345556	2474.840217	4091.342721	1681.744653	2863.479933	654.8482964	1875.767027	1451.359059	1862.001784	1162.608922	4269.187277	1561.775718	4272.958463	4203.400136	1732.397407	3132.217175	5420.440647	2715.418137	3769.779251	1265.800735	2620.783025	3084.421579	1691.471558	2350.434733	1641.288612	2445.803224	1127.05465	1303.876853	6291.053093	1005.858748	1311.778235	1208.748028	746.5009569	3065.81412	2161.815949	3842.202356	2454.461863	2035.62341	4163.943556	1495.604657	1342.081361	2009.507089	2813.215379	1639.382904	2217.810583	3731.821092	1280.532982	888.2485735	2814.086165	894.5694109	768.7329852	2809.329446	4014.129176	3922.479956	1729.123063	1519.212502	1780.115303	1091.216081	1110.828458	807.6690378	1124.39796	1152.311214	1249.192581	1036.418121	907.321143	1744.574699	1247.223086	1287.816727	1791.739383	939.9104361	857.5830195	964.4387556	1249.314025	1039.186215	1509.808429	609.2189865	1510.716646	1970.44871	1126.980892	1274.964286	2101.007768	1524.629754	702.8046759	2365.022752	1196.907685	1120.18067	2054.8779	2289.116462	731.0931357	2753.652422	1122.087058	1575.824785	1272.435671	1223.694648	864.6195387	1423.95997	1026.805945	840.752596	1556.327611	899.2417266	1518.421156	1061.753543	1598.377422
CYSTATHIONINE	599.1791246	613.5044602	611.4525054	605.1034424	625.9545807	610.8623544	601.9128791	575.430278	590.7442196	581.2736869	574.6069688	542.8852178	552.9016277	549.577375	571.4677578	574.6730111	581.1655857	574.1978456	559.7505751	582.3365672	559.9072794	555.9292636	562.2115152	4494.286732	565.329474	565.0324046	563.1772206	563.8313468	566.1295984	557.9609874	552.4800831	551.2071436	517.4724575	7917.186805	555.743891	573.3320338	588.1142118	551.809383	578.8209417	583.3795175	608.9281039	617.3144353	612.6550017	612.4486309	618.2265553	9015.409065	591.8630666	590.2804422	596.2033769	599.9916001	599.1252771	602.7109941	575.9439722	562.9552901	591.6669625	586.8269095	578.9885071	579.895039	594.2829976	565.131393	584.6175432	583.4952533	587.6580065	563.6311372	5175.828639	589.7652145	580.642539	583.5633546	615.4073381	559.7192448	575.8046871	581.3987291	5232.092683	593.186658	570.1254276	592.8244528	584.1223853	603.6715302	586.4861853	576.4486154	578.128252	587.6096627	567.6174259	564.114425	578.302105	568.3012906	593.9653124	597.5429036	597.1789268	5157.882565	589.2821365	577.1039768	571.6637702	583.3863243	567.2085399	582.7471868	564.0412427	557.8613826	583.090379	581.926526	611.5497282	570.2912477	605.0229001	561.905083	570.4213703	605.6861819	587.3956638	590.2351497	599.2258003	576.7278767	551.873334	579.3877031	543.4812146	545.8306724	572.8722094	581.733566	567.5787657	570.5808513	556.5139963	559.9793928	562.9394446	560.6418228	527.462326	555.4105317	544.0222832	550.8215503	564.6431737	577.5172533	581.9197533	545.2324871	614.9305129	606.3362134	600.6330673	608.6723638	584.853465	593.9018162	576.3190502	586.2523817	554.477405	589.636548	583.2672297	574.4980323	567.3147292	573.6346062	583.0461831	566.7616937	568.4208133	560.5098398	568.9997553	576.1995033
TRYPTOPHAN	341172.5935	275815.6542	790214.9256	299504.4203	429957.5603	831910.8385	280486.5864	636989.2337	362313.4725	476452.0217	692981.1759	948486.1646	546053.9411	690082.8763	489438.7044	1039631.75	73886.48674	489263.6487	218181.8182	831016.9926	1749219.769	354255.3605	320042.8405	607501.951	540286.509	573850.3003	303715.8433	560267.3688	233700.5627	815190.4879	191399.5425	466858.1193	236418.6766	511405.1545	136714.1087	780890.8433	239239.5683	995518.2042	435005.3541	2051386.985	292345.1648	255425.5766	226958.658	626296.7069	641124.4305	555481.3659	577440.5474	676451.352	367155.156	570192.4173	1020678.21	310913.288	350246.504	349846.3132	284197.7588	406950.3779	539130.3593	736144.8578	476033.161	886066.1204	447394.3596	632151.7554	514346.4949	2216594.992	860116.2472	626125.4195	788613.5998	300857.8381	419777.3456	395789.2321	995348.0739	702839.5514	681905.7371	346001.0321	463132.2691	697229.1385	962998.1834	311437.7645	869093.351	889074.5694	254148.6483	272755.478	621786.292	556082.5638	271950.0347	1094641.487	396570.4443	178251.2309	93724.24666	681529.3821	615451.5669	448869.7419	125557.3722	437340.8085	209617.588	702315.2546	570818.7623	804054.5365	69866.4723	968091.8047	300860.4505	322815.0717	1617749.557	1496781.97	1369074.605	1165604.293	1114868.159	1064438.922	1038400.786	1703378.472	872097.8361	487707.7105	1149680.705	608673.2494	1148802.984	463126.2362	359078.1386	1140867.853	781246.0348	731621.4763	982257.2746	1377880.438	1050842.094	871539.0981	1248537.668	815883.4902	1429314.015	919854.4657	1391150.164	878423.5148	1630499.324	1223675.004	1411913.557	737892.898	1485466.976	700849.2796	1482837.795	1110123.992	1393537.566	1441762.188	1445626.662	1000544.05	1319372.096	1050514.837	1344584.376	1388130.877	1056967.134	810634.5532	1055360.262	1247457.52
OCTADECADIENOIC ACID, 9,12-(Z,Z)	30820.2942	24022.24567	20694.92189	34181.56734	21084.13456	20892.60429	25585.62512	23842.34937	26670.27021	23936.39122	43426.27218	25078.64235	58550.90012	27939.67289	22279.37344	7703.727329	65423.66971	24380.28549	21774.0119	27904.31046	33411.03353	29665.53628	40678.61179	26592.00154	24768.58803	22148.15715	19468.11854	4179.631593	23301.63385	28411.37348	39408.86289	36443.82097	29235.69835	26795.87137	33626.69016	10525.84294	35839.22722	60625.8622	20806.22811	35132.35714	19547.96222	41563.16361	26479.16973	6646.182301	14245.25047	31007.80641	63800.76705	28797.04388	6291.215539	25634.71911	9934.006351	9795.367563	31215.44336	33240.57894	24279.69872	34915.37369	27479.3909	20304.46229	15649.55726	53021.68974	37680.20251	25770.23707	28535.22128	38821.95456	36088.84128	25071.52083	21252.3937	35161.96801	21206.09376	36616.0326	16570.60517	21895.21451	25775.55952	25536.11617	25034.04219	45158.75839	30029.42224	17570.78351	23656.53023	19597.05665	42731.26286	27066.28237	45385.05463	22419.92678	21034.40898	12554.03693	36716.62509	27646.96568	13460.83103	25946.72748	18690.09063	15749.12713	35347.02278	24245.61148	23283.3944	10083.51933	14461.50419	29939.3772	63863.44023	15030.67335	23610.02697	29469.86866	19214.62582	29558.26394	33773.41152	22662.08768	18024.91145	5891.279276	42369.08714	19313.94759	40888.41673	42270.48136	44125.51699	31256.988	28901.67794	37709.98255	28175.00724	32469.96462	41833.7804	51429.90738	37945.75516	16462.18751	29278.27857	57089.03786	13007.11581	40350.28395	21660.90919	14392.63666	28627.94379	38059.45215	13109.75895	59618.08701	39242.97409	87950.78275	16559.13746	36451.53761	10690.9028	50491.37916	20503.72609	17287.12941	16879.95194	48535.39195	7269.060357	23003.22956	28267.16342	18023.28824	26557.89934	68530.73556	41414.42528	29729.88343
OCTADECENOIC ACID, 9-(Z)	66244.64484	37685.12497	39356.14051	62568.90615	58236.31037	43592.35933	41070.92339	52472.91162	44167.58232	31836.35983	93039.78579	46134.38581	117278.1759	70620.69269	42607.49309	18049.9046	106717.693	43335.8598	48145.82622	76189.42244	70753.24326	60522.90707	72469.06431	56419.01444	66427.34386	47445.20598	31940.59607	9877.761364	51310.02389	76140.47226	57124.23067	54800.46301	58117.84918	52789.50343	88945.69826	17004.45479	71342.37069	163513.8118	51139.98784	103064.4926	32635.50173	88577.831	52659.53536	13205.61738	29836.23179	60768.29936	128018.2057	71114.03628	11624.17724	47598.53362	20602.1209	19937.67968	62615.47677	66299.80747	39347.62801	68892.30553	69771.01005	38741.62777	38728.23439	141502.1192	80391.9276	54453.52752	67466.07744	111538.6566	76817.69106	51329.62568	63482.22944	63195.24279	58221.84204	71792.38894	53036.79392	40643.84095	52061.08657	66847.98406	32377.99316	98959.00026	49899.23889	46888.97877	41959.56764	35479.25938	75534.76863	43374.99486	78563.92791	49349.29401	35065.92644	27298.9208	73291.1618	55584.63598	33461.7268	52174.1676	46084.80949	46258.92347	87151.85676	81292.55074	49389.1164	17582.06537	47462.94249	76531.88736	109743.4402	37650.0643	54496.41938	51062.16745	41277.08234	63938.61749	72097.26825	53037.5162	37855.30095	8639.862121	73034.83899	32593.19922	94875.85609	101917.7733	81014.02725	73057.25218	72085.65585	75192.55381	59647.98765	65597.39815	94176.63754	107059.6602	72154.20037	34094.87181	66068.87603	124870.1728	28211.90756	91685.89952	39852.5152	28064.45093	38301.95816	46628.82753	31018.32493	123782.9316	61221.92791	141779.8797	34795.27204	70936.22682	18097.57082	103445.9915	35981.14777	27286.61053	23948.95245	64446.61477	10562.26563	51266.29839	74171.05409	49163.17636	41492.44569	96556.22754	65106.09	44546.5598
OCTADECANOIC ACID	16188.62159	12587.27101	12304.87022	16853.34108	15419.76514	15096.24136	13461.78154	13972.59801	14343.26965	14088.91162	21153.00634	15666.58161	22684.44798	14856.1756	16078.81683	11573.33977	19739.28912	12809.77974	16126.97382	17770.00035	15771.46824	16414.92337	16282.20769	13233.31486	17709.5111	15655.91787	13280.28204	9964.02756	15720.28669	16703.12012	15973.30416	15689.00893	16988.62078	15413.52479	17188.04706	12343.26536	16179.02197	26744.54536	15654.79119	18656.47697	14068.67491	18833.02879	16403.83767	12674.62442	13937.91769	16801.52752	23913.04348	17206.08461	11791.11418	15888.97755	13782.877	12412.23021	18078.88129	17860.31953	15527.1161	15376.03868	16870.56712	13467.48239	11810.18601	23684.09155	19174.28618	14784.60273	17881.25782	19930.56064	15194.92943	16444.42348	14783.73969	17511.56914	17347.71745	16791.01763	14852.8819	15538.46243	15743.24917	15775.79917	15570.69555	23797.15919	14479.80981	15625.43389	15520.77041	13454.88713	17569.89571	15539.92514	14169.4338	16372.85707	14548.92436	13095.93494	18140.88857	14908.69544	16317.91417	16012.78681	14952.44493	17036.6865	18894.05927	20248.75593	15861.41961	12666.0101	18153.10335	17578.77003	19152.76968	13482.07375	15645.2767	14928.51399	15345.19582	16408.19033	16865.64865	15660.01623	14257.26755	10552.81424	15969.36758	11766.97887	16586.55305	19078.07829	17558.79108	18782.03344	14703.911	16933.10064	17040.98486	14870.47815	18745.06094	21723.28058	15178.53624	13942.60149	14513.1259	22048.68729	15452.95295	19778.34941	13759.7895	13866.18925	14301.25986	14734.90796	13162.58763	20588.75246	14972.5811	23948.82283	16901.09543	21460.64213	12408.72547	24575.69984	15788.74411	13984.99965	12992.86081	18606.26777	12581.90606	16902.14367	20637.5027	15131.4037	13862.07837	19789.92091	16316.63698	15700.86027
CYSTINE	531054.8548	351927.631	825702.4061	489834.8673	267454.7435	590570.1178	229018.8218	890465.6957	333569.631	329399.6605	637718.9253	571872.574	624964.0614	617626.5951	353216.2205	506686.3205	209287.6072	706676.1984	318412.9952	328160.0494	759591.4916	855651.2989	753808.7019	692151.3962	690187.5763	594689.8255	966642.45	407019.7003	298366.7161	301415.547	539174.1528	367871.7892	356000.8694	792906.8803	264768.0603	847316.5194	828818.1845	561816.9979	682182.155	927709.3603	800491.405	483236.2092	339401.0685	376901.4999	365238.9755	819330.314	638048.5091	525010.7726	465703.9969	404710.5341	457749.6855	599455.1493	809792.1994	594120.495	388481.4276	888333.2942	647070.0287	775651.947	339333.2145	452136.7618	485753.4551	859875.3654	518826.2119	944654.2405	872891.691	93971.41998	681727.7599	506577.3426	274877.2262	493835.812	662956.7571	548827.0281	565023.2585	253622.2943	302061.5735	620944.4879	455664.5268	241353.3108	533443.7882	490546.2427	527553.5925	237820.3207	465098.9073	578754.3225	288230.9739	670089.1665	486710.6201	645993.4748	294834.4023	564946.3411	775130.526	545368.452	223651.4452	303855.6002	292142.4601	687822.332	644886.4021	313490.204	192776.6764	533030.1496	420303.451	402026.8151	673006.9033	791319.1284	552324.7523	766064.0089	486413.5383	594681.3911	370029.7216	741623.6043	624039.0506	491248.3487	542332.2953	453583.6513	518452.7867	437411.2856	860896.0934	629542.9647	534555.6236	789778.1362	488751.907	1026906.322	546836.5447	774983.7542	793756.2563	965832.5392	585328.3118	648531.6624	523766.7666	475567.0418	771167.1381	830952.8574	514129.8929	688635.4783	632910.8742	354239.8651	679895.6863	684488.9345	692983.0884	756618.0806	375030.9132	355712.5212	720484.6002	745723.2672	478844.1692	619133.8748	393844.571	593195.9711	404662.384	618216.5473
Pseudo uridine-like	3024.057042	3484.705334	7881.622795	1338.488815	5523.42322	2062.882171	1688.365626	2338.54865	2423.823533	2086.772536	3539.004321	2847.975852	5289.056971	3463.986195	12733.44458	3041.744248	3116.791036	2328.372264	2260.832573	1680.623333	2192.596906	2468.32593	1939.629727	3564.925297	1828.275519	1676.451144	2953.864522	2469.581299	2178.466695	1532.718832	2604.943592	2319.47966	7911.636403	6327.043571	3770.7223	3174.539471	3126.41515	7038.32868	2438.572628	8052.97086	3231.581447	7851.004988	5923.761212	2981.399935	5457.70403	6341.176608	5260.478936	2456.747201	2100.424497	12311.82763	2621.772213	3605.417166	3152.717304	3192.51945	2837.634752	8716.726914	2637.871638	7326.973818	5625.482855	7181.124611	4031.522578	2388.829567	2860.131518	8384.013166	2785.345469	3437.15167	2004.378045	2365.765839	4374.930767	4680.932044	1527.03403	1426.752481	5504.812615	2061.323637	3089.509692	4599.132105	1834.14429	1921.486481	1699.050479	2241.808665	1987.60493	2819.938771	5023.414219	2252.508899	2265.209345	4573.120486	5118.199097	2821.000048	4914.185388	6489.423364	2970.57125	4637.030454	4982.049758	5019.455934	2168.438248	2907.325715	2348.667735	1606.082921	3237.900875	3495.632641	4694.255713	3002.013128	2257.34044	930.5148174	2589.713021	2329.469055	2833.009287	2291.292851	1747.342434	1917.043462	2236.190749	2231.801432	1535.334431	3431.637437	3757.468821	1270.506108	2423.56133	2260.070752	1765.262396	1692.257725	2191.523258	1902.818346	1856.139925	1862.846923	1766.440353	3101.67615	1704.657742	2560.133984	2310.22142	2817.761494	3566.596975	2818.25072	2126.841691	2433.472111	3332.495043	3252.206345	1233.899087	3463.579071	1975.048517	2566.687894	1689.725164	1911.354954	1330.920355	1983.054834	1606.875281	2101.55236	1565.43092	1924.23028	2360.779985	1511.947497
EDTA_minor_peak	44987.56703	31803.45771	58822.95393	31061.77501	38600.11518	54213.42309	24750.05568	43478.93637	46726.68628	34069.61334	29653.16723	67480.08968	34114.58333	43787.02778	54007.13192	42351.6769	10018.13237	17858.1272	35605.73408	37784.90817	32733.85927	43364.15035	29631.35791	27707.90685	37452.51232	30821.95264	15877.65538	18270.95479	32723.98918	37122.81837	28226.75993	35387.49862	32572.82131	32595.519	18784.69926	37074.51596	17098.24448	22284.27012	67063.93077	27923.46061	16375.9035	41082.89298	27940.13135	18946.71084	32320.88431	33091.35998	25414.00822	37148.11907	14035.2237	44306.9797	34112.3959	23145.9103	36080.58608	24410.30433	18931.5678	20737.28933	36292.73659	28618.97996	19727.2241	19580.10737	31749.99415	29838.19677	24970.76401	28894.55025	37539.22923	24510.05255	23128.73426	19552.87376	25394.78381	22678.70436	24203.95002	28172.25682	43834.87903	12971.80584	18019.95439	18226.98063	11834.90365	40787.06694	36064.79499	18471.14298	27872.71928	12648.8856	21643.25245	24177.38014	12763.12746	28161.60215	19983.96294	9523.638797	14353.1955	37437.71992	25003.83033	31639.14843	12412.53544	17468.92009	29003.07427	26633.29468	24883.8075	31428.23671	7634.402332	11246.31204	19841.73093	26231.68652	63238.20357	61242.035	47844.66285	50476.06934	72382.41807	53384.99858	58927.26597	46435.82172	64098.43213	64606.94338	53095.94074	50712.58194	55127.49271	40004.65387	40128.9539	27585.87242	51724.63687	39021.04403	53190.4593	43460.39346	38319.08306	41289.77434	36114.91927	38618.09889	58058.8697	50218.01276	41309.31944	36198.53005	36317.18116	29965.13567	54960.92882	33774.6208	34542.03049	48692.8221	38521.16532	42935.36567	33456.05767	32750.18279	29065.37259	27407.00313	27889.19209	30579.88722	55401.04832	28945.65322	43817.28681	32009.03542	34487.07517	25578.07215
Inositol-2-phosphate, myo- (7TMS)	1849.066779	1804.930122	3784.891009	2655.193905	1737.649916	7729.852232	934.1687884	4757.657538	2687.295455	2926.713014	3229.291165	6118.316404	2226.534855	3827.256839	5831.257	4619.221663	2050.933352	2906.015297	2359.348674	4369.271264	3847.122916	1849.57666	2976.347762	2883.495255	3905.296007	4140.557461	3059.74184	2350.612885	1616.866133	3509.574611	4760.720876	3342.520119	2796.938633	4865.245156	1345.45596	5161.134968	3021.73082	1944.024456	7369.54823	6131.318729	2812.029984	3560.052348	1788.952605	3076.329473	4824.021811	6386.582995	2505.948224	4542.208003	1884.598874	7372.096791	5822.299443	2587.438297	2680.443246	2179.199928	2364.301182	3174.733581	5256.057667	4270.347067	2382.480537	2363.379486	3116.596123	4327.784293	4576.680555	5468.912925	5514.189654	3282.633184	3907.143645	2736.32857	1370.512142	3667.280492	4386.480106	7993.651126	6574.412685	3251.256073	2474.344356	3924.497878	2035.666513	10893.25276	6696.499264	4684.221449	3198.20549	858.4977171	5774.372073	3895.210104	2590.79343	4706.102988	2356.260394	2802.476218	1514.445758	5957.225075	5036.594421	8025.207902	2589.065215	1977.679639	3086.748874	5573.976842	4938.18108	6188.356317	2454.227405	2321.304912	1729.462631	5498.177919	4425.742514	4441.859681	4700.842512	5733.425398	5110.342275	4880.064218	3588.763318	4512.895635	5172.70876	6313.008413	4695.134213	5634.610031	4549.178215	5332.169866	2128.98795	3222.070067	5362.568869	3845.37849	5013.538694	4301.244064	3763.443696	4262.775831	5811.246029	6457.831856	8854.169608	6184.054749	2787.977538	3826.441595	4616.89829	4612.399576	7401.601288	5456.139069	6286.589895	8004.014776	6562.545025	6721.383556	4275.020793	4796.103682	4760.627129	3591.761698	3683.007222	3329.948889	9786.430183	6319.392885	8898.627832	7471.596164	5946.047443	5066.522233
DOCOSAHEXAENOIC ACID	32927.88879	16400.81473	25325.13987	42558.74042	23332.457	31673.82394	28028.07322	25224.56167	32234.54908	24919.78423	60739.97885	23265.88889	46048.96497	36544.69713	32461.65451	19507.27536	78745.03103	39946.36992	44234.84895	54454.87474	33737.77302	35666.75376	66547.85263	34127.4868	32132.19664	49736.41238	25465.18438	16266.53435	48857.55047	56739.61077	37073.07102	30999.88976	33634.67479	40854.58984	36399.55763	21871.47042	35080.42462	77182.68201	30378.25949	65501.85223	21799.01719	35930.16939	31716.53678	19679.19941	24952.242	46535.72551	52098.15457	39416.56681	18868.04827	32579.54389	23720.56797	23582.27306	38521.43663	41255.61548	25696.09618	44967.37242	38712.32956	29002.29059	28381.7674	68527.83272	57699.99766	27430.11186	33615.80095	70117.968	44464.27273	29785.50239	25015.82251	42811.37482	25053.84814	31363.30816	19670.63972	35591.486	27945.34976	26282.91444	26852.90764	57775.48552	34259.94614	24307.43784	24282.87402	30893.61064	68390.83782	31169.75456	66901.66028	46967.03879	27605.82929	31253.72948	28528.74792	27542.54505	26639.55474	26619.86757	24639.06469	42265.36395	36497.30175	53608.53611	47861.0566	20468.41219	34888.77107	56188.91418	71205.24781	52231.39726	33373.49177	38800.33533	61167.21018	62231.54985	58004.43788	45098.78742	20738.00391	16164.77004	25289.72567	20699.91695	39353.53558	41152.74977	51664.9547	44271.23418	35308.97863	36681.21001	34801.09202	33557.00103	46024.26401	56574.71805	69121.64558	42865.55248	58310.43268	104686.5541	46803.32506	98193.30531	35532.43028	35880.56943	22935.78516	27361.4019	54274.38199	137296.9532	51688.07924	100405.3758	32504.40102	43306.72653	59712.99311	150653.9645	37158.85778	54206.46713	30301.89912	79495.59073	23533.91691	44347.11777	45054.8938	29401.89638	26370.74679	62077.02526	47845.48243	67212.51966
SUCROSE	3092.363462	1028.84698	2241.584885	688.6077175	13372.89366	1772.11169	1759.391346	1882.80787	1625.137348	781.8131089	1736.46226	1338.754947	3703.888004	2177.42556	5302.649325	1902.74234	950.7868982	994.5106686	869.2926432	2761.440002	1974.233067	2234.83564	2101.546644	1009.986767	962.1907648	1158.881462	1382.036899	1419.727331	1167.925361	1241.463197	1818.211953	724.2861867	2432.638023	1825.594401	1638.888735	2610.38075	5796.453671	10056.726	352.5019535	4301.257183	1393.227502	2790.261247	2924.202323	2347.515602	1266.127985	1362.773748	3950.685969	1583.722427	413.7651436	5302.725762	998.1427116	835.3574378	547.1467736	3675.535089	1234.808951	710.6473874	1188.084417	1489.17046	1776.906163	8366.205143	986.8344129	1187.996336	661.1152574	4794.810084	1451.691402	1230.840003	1473.670764	2693.728445	14073.13501	1341.64703	712.8462026	2712.80647	668.7926041	1529.235204	666.4766249	2278.817197	1425.25862	2006.604167	1954.758456	1206.506952	915.7551511	2375.705866	916.1345253	2102.454462	1296.553319	2233.424072	2083.630316	783.3787466	4606.638241	1405.729475	769.0131881	2008.898943	1375.994695	6904.377148	758.3578178	1964.440767	5656.205582	1776.788504	2113.702624	1909.882858	1717.231637	1064.73376	1773.32212	1696.953351	1181.913079	3614.735133	844.6749646	2721.574275	1741.350176	1898.011442	3104.839377	2282.208162	1376.637917	2644.003777	1133.14123	1656.777196	1044.344929	1609.038001	1419.110691	1419.547761	1683.188939	6400.84769	1062.836587	2077.790799	2281.629456	801.9961773	2648.741128	4953.365482	1422.793797	2174.932391	2222.973804	1466.7273	3762.966166	976.3104716	1273.810847	849.8734989	3400.282396	2022.570717	2854.449681	2984.15057	1409.173627	1143.251084	658.6524006	1522.426245	1117.116487	2006.903157	1587.030911	1632.765163	916.6586058	1544.790868
MALTOSE 1	33592.97762	12678.06967	36761.74753	4097.760512	16522.69711	3995.65066	4198.944245	4053.906308	9816.987441	3539.956753	21667.85419	7069.451306	1749230.361	8513.503116	41301.11779	15049.53681	19135.45807	108890.8794	4485.281359	7035.208069	2770.421218	11113.58191	6444.068387	8703.077462	3046.560535	3084.511897	9337.478318	9390.61108	5080.447016	5772.106414	501670.1473	14649.43226	13795.29825	271730.9473	13006.63002	31371.58222	5668.244773	16827.97894	18443.55049	30662.42744	9985.203047	13174.72468	16128.75558	9022.59323	17931.04301	288954.0231	1781783.639	9651.675511	9950.038157	54571.636	16915.10395	12804.59507	16448.95985	48208.67627	16197.47477	12811.60509	4787.076977	36631.38972	20329.23278	15048.31873	536771.2742	6047.344805	6328.489072	36465.80732	13810.36827	81730.84295	10430.08193	4849.99504	14243.60284	14216.86882	8719.410376	4408.746562	12874.40391	2075.560117	4925.313569	25549.54827	4763.518052	5152.336511	7942.782408	5591.551569	4640.05735	6515.415939	11710.51511	2111.480293	8349.525792	12078.10733	16436.20813	5908.504231	112647.6525	14050.8545	12445.63872	14927.37146	12967.0493	17912.2937	6234.189062	34857.02298	13501.45523	5061.476324	18179.00875	17894.24067	12875.56798	50532.36688	4532.831568	5328.545902	3638.717921	15784.1819	4711.50062	8869.463594	8377.775914	6055.065978	6421.046241	18141.20837	2382.078163	10791.61822	3721.950744	5709.714951	9981.440174	4406.595915	11825.92242	4354.399758	5998.119782	12246.65998	4173.281923	9977.394791	25338.92588	14296.02252	6574.140472	6735.006208	9479.472781	7033.499084	3222.235887	14046.99106	7760.179229	12986.63355	3624.921776	8111.511005	3282.71331	5629.781621	3619.074023	5154.602703	4346.507396	8157.872059	4253.725839	5407.653433	5484.132398	8042.348434	5614.292373	11928.2099	5334.941706	6814.711526
MALTOSE 2	6809.670751	3063.22777	22251.36812	0	2689.726833	1188.738142	757.2064019	956.365122	2098.323468	1629.891418	0	442.4514525	761181.3296	0	28158.5023	0	6939.117093	29004.45578	2106.901165	1971.20928	870.6558194	3088.187059	2018.901551	3004.512707	2641.219303	405.1282341	2894.730914	2986.050812	771.6346426	1979.645583	141397.3326	3720.097012	805.1871439	79018.89334	233.9681781	8575.900561	2337.753992	4893.445608	1328.394061	8442.668378	2600.123003	0	4133.583297	4795.47278	6789.36403	74641.1149	779026.7404	0	4391.037871	36467.48946	4592.295249	9877.227771	6282.972792	10884.17758	3704.426852	2372.541195	1719.016878	27495.72327	14904.61758	2213.054535	160512.008	1585.356603	2824.872037	10107.59718	4113.405349	21768.82383	2313.279876	0	5382.352579	9195.627473	3158.288708	1013.959383	6755.800006	1799.728321	577.5370582	0	3354.614859	0	902.015753	1491.849017	1109.428116	2041.355968	5397.474102	165.2855265	2425.977331	4104.271921	9003.920171	0	41025.59509	0	5249.914554	4606.443943	5973.314735	6943.464031	2474.73086	9406.705089	3324.459084	2382.068104	5698.542274	2994.011976	3134.192357	13514.76199	121.00458	0	957.1670593	2961.805429	100.4446585	2476.036453	814.3478626	743.4022331	2349.324783	378.3401701	459.2416263	1883.11582	1586.283148	0	2027.95893	1409.905284	1267.738884	0	222.3610806	2208.36814	281.6648821	2431.031897	6575.597336	3780.2883	1034.990937	1965.86873	646.5128459	2614.935008	381.256918	4460.815522	2287.21072	2801.110218	0	2674.339878	185.5747342	1422.248278	964.7906848	1504.162834	599.0154449	2355.441933	637.0944409	2624.951958	1720.569286	3079.783044	1026.567989	3050.855058	324.8988603	1667.521363
ISOMALTOSE	5960.633932	14114.89712	664760.1578	114321.5883	31334.66036	64376.95094	10175.93913	10384.79023	111634.7074	28802.11119	142364.6226	90795.92402	151053.2776	98661.77909	289332.4114	57226.51311	79702.21075	94657.66324	48532.61387	56939.70487	9092.894217	107374.9576	70844.27303	183503.738	115937.7685	96993.46258	76171.40862	113450.1968	51707.44687	51529.37107	72378.20577	65599.16217	152046.3448	214112.2777	123281.2231	132251.0736	68951.0983	48002.45003	134625.0687	120934.574	63077.03549	124609.8573	119562.0742	128984.1315	199679.7586	227380.0515	139422.2233	94171.57091	66084.97091	324750.2535	54828.35061	226132.946	99568.61796	7115.191911	23779.09522	78192.33839	106301.7109	602989.3589	314500.5051	46425.54394	82974.76791	19216.83267	161026.521	147568.7771	210206.5933	175152.6017	41554.26395	115159.8088	35917.63388	229619.223	21638.74014	45615.96288	181391.4163	31017.73035	36151.65336	118538.2135	33794.98473	64780.59558	70424.08816	128750.9511	73996.94748	27701.68233	225469.5615	72071.25893	63817.3722	216513.6989	237965.6688	68458.10029	94509.53695	177048.7292	120157.574	145544.4687	125904.3721	93212.30012	49376.63781	126878.0485	107187.0135	51293.68055	90066.4723	89972.2421	100875.7392	110307.444	11900.19542	8121.214165	6528.472583	10488.06193	17330.52167	11585.13552	21140.68623	1818.422995	6006.589368	33181.53376	13589.20429	20302.71769	16388.72817	75234.43863	113625.8634	9679.333562	21267.73888	9031.907626	16263.32055	0	8743.215516	5739.057024	12094.7034	12951.46711	24122.12103	18645.14452	23051.00527	18032.47405	20330.21769	4332.878581	3264.440721	6924.256811	13722.41685	12774.82807	13336.59914	10925.39938	18511.22817	15354.13571	7278.59176	17304.45523	3739.738695	19003.36724	23785.36904	7659.217529	15381.46721	14748.1349	29802.50018	0
GAMMA-TOCOPHEROL	4793.432997	5281.951312	4996.825339	4840.827539	5007.636646	4886.898835	4815.303033	4603.442224	4725.953757	4650.189495	4596.855751	4343.081742	4423.213022	4396.619	5175.816056	4597.384088	4649.324686	4593.582765	4478.004601	4658.692538	4479.258235	4447.434108	4497.692122	4524.016875	4522.635792	4520.259237	4505.417765	4510.650774	4529.036787	4463.687899	4419.840665	4409.657149	4139.77966	4810.52543	4445.951128	4586.65627	4704.913694	4414.475064	4630.567534	4667.03614	4871.424831	6090.097659	4901.240014	4899.589047	6864.082892	4657.06535	4734.904532	4722.243538	4769.627015	4961.509939	4793.002217	4821.687952	4607.551777	4503.642321	5385.596459	4694.615276	4631.908057	4639.160312	6119.617282	4521.051144	4676.940346	4667.962026	4701.264052	4509.049098	4475.349217	4783.785585	4645.140312	4668.506836	4923.258705	4477.753959	4606.437496	4651.189832	9645.498961	4745.493264	4561.003421	4742.595623	4672.979083	4829.372242	4691.889483	4611.588923	4625.026016	4700.877301	4540.939407	4512.9154	4626.41684	4546.410325	4751.722499	4780.343229	4777.431414	9347.778994	4714.257092	4616.831815	4573.310162	4667.090594	4537.668319	4661.977494	4512.329942	4462.891061	4664.723032	4655.412208	4892.397825	4562.329982	4840.183201	4495.240664	4563.370962	4845.489455	6344.607414	6289.079469	4793.806402	4613.823014	6329.402156	6663.312012	4347.849717	4366.645379	4582.977675	4653.868528	4540.630126	4564.64681	4452.111971	4479.835142	4503.515557	4485.134582	4219.698608	4443.284254	4352.178265	4406.572403	5607.521047	7401.334065	4655.358026	4361.859897	4919.444103	4850.689707	4805.064538	4869.378911	4678.82772	4751.214529	4610.552402	4690.019053	4435.81924	4717.092384	4666.137838	4595.984259	4538.517834	4589.07685	4664.369465	4534.09355	4547.366506	4484.078718	4551.998043	4609.596027
NA	781.3295785	2214.751101	11565.62414	2009.548532	4151.330779	9405.44767	3103.462805	4150.003165	7533.761032	3676.55607	2972.44185	11546.6257	7328.158174	10282.04311	14627.8602	9570.029653	6017.96964	15403.43141	4447.21832	5238.699759	257.5573485	2377.153531	3195.610252	7962.835201	6967.120438	4890.920494	2046.58602	5752.2074	4829.085474	5168.392626	9380.559331	10166.46456	5457.78201	24360.50078	1777.824707	7496.889674	4115.03514	2920.727064	5697.33453	14790.42091	2632.396193	2037.754951	4328.407587	6067.528586	11373.51394	24696.99969	7700.730359	9930.28788	5216.779548	15832.57834	8272.721826	5290.597106	2530.12187	616.4360426	2033.55935	1292.192855	6786.90328	10341.84813	5929.161467	2144.673637	3128.873091	3583.827846	3953.763068	16104.63248	10209.94982	9892.131942	2631.471987	1719.177643	3141.654461	772.9722771	1436.05689	8159.349764	8482.490272	906.3892135	3366.020525	2916.103483	2154.243357	0	10100.46508	3455.233001	3265.268367	1470.786986	4729.388392	4916.821328	6328.359935	24192.01764	873.7229746	2851.474736	2001.146584	8517.514534	5055.451449	5211.248911	2033.979695	3717.337658	3417.998661	6790.17022	9627.619972	5605.949034	5249.562682	3106.905722	2858.994979	12056.52727	0	704.067069	748.9632592	752.8679241	0	230.7819435	0	0	0	0	290.7624498	0	429.0812848	10678.30134	2512.103617	510.6698619	0	323.668089	0	68.9589442	0	0	0	36.35422232	0	694.7532558	271.7565248	0	0	793.6941034	0	264.1638059	0	244.6875483	0	175.8757145	0	465.8128729	0	0	675.1045277	741.7095459	0	690.3157429	0	397.9619862	1196.037486	167.097856
1-PALMITOYL-sn-GLYCERO-3-PHOSPHOCHOLINE derivative	91491.05725	100035.5833	140044.0246	69174.21533	170484.3637	202356.707	31980.23318	127072.8437	91856.00019	84421.86519	90972.34991	287379.5473	49580.90057	173693.3798	127123.5742	251805.0479	57128.57707	82512.23041	144137.4524	342107.0102	254989.0538	129472.5899	82479.24034	155653.3246	144201.4156	173448.5623	152373.2288	84090.93472	150888.2573	337970.9191	72402.51489	106085.3269	75584.09704	91567.14892	33431.88525	112100.7459	61688.4759	56533.9749	283736.868	35550.56442	136845.0217	249825.3	79529.97108	115878.3432	256399.5722	134326.6466	71252.61899	203826.7881	56587.45111	153128.6562	239732.191	86470.34361	146562.7664	75520.45217	125410.9127	44426.90484	179144.834	96553.68378	54728.70981	48210.22888	88639.7119	129830.0278	78932.46047	47473.52343	186425.147	107684.051	147894.2998	72264.40088	135936.0961	45711.71101	110259.1121	150923.5519	123139.1709	47204.60787	86841.50513	80792.48773	46715.18777	144512.9276	213872.7442	151447.4625	100783.3638	35084.99774	89720.44842	148887.8484	41934.99884	92560.3678	71442.74174	55286.46207	42749.65065	118133.9688	186586.76	103662.3018	30461.67566	55941.49802	144394.8452	123436.3436	142213.9747	314222.1181	41238.48397	49864.12016	49992.35563	91227.78003	546478.4642	496838.1601	562325.9502	421137.8421	514022.3093	478445.2026	391567.6945	384145.7507	664485.2953	487160.1891	352512.7854	281167.7501	487259.8949	156383.9442	98216.66752	263549.0129	392989.0367	420630.7608	425028.2877	564010.1588	373156.3873	409638.039	498997.911	386500.4654	628046.3911	486189.2524	324538.9741	311803.7381	393171.1967	280278.3083	543778.3424	400765.7098	468313.2241	527757.1892	513137.1927	383172.2116	409005.2675	365687.87	289433.5309	338300.6348	318799.6755	315662.5193	586275.6759	364360.8912	385221.6273	346273.4503	270523.5367	292896.6125
ADENOSINE	8916.384553	652.7687456	1809.287964	918.5470256	1616.840682	1469.734825	1269.434262	2191.813929	725.4339016	652.1890767	1796.221385	2381.63745	1282.731776	1727.32169	2263.012321	0	849.0829207	845.7934266	439.4042015	627.1764829	2957.43025	3012.02475	658.3496843	1246.932151	1983.175795	1174.137337	1659.683269	201.8516221	600.6635039	873.7669062	50478.44775	839.4884798	848.6548303	860.4827362	1520.515286	2425.194503	973.9171347	707.9714383	3626.3132	732.724674	1685.512991	2437.15739	1214.282213	1213.260738	2134.118069	1064.721566	852.8746789	1836.362456	1428.503291	2501.364981	1422.922533	992.0622962	2955.744465	9689.023498	2349.509508	1924.792263	1707.437107	2876.279393	232.958935	554.959028	1186.773613	2276.214983	1310.477355	1223.643199	1119.396723	1173.043012	3843.853608	867.7587082	1849.914458	1126.155121	3607.416364	575.5847418	619.0573711	1011.976439	782.7822121	1309.549216	1407.150826	1664.322409	1174.731829	0	386.1896723	672.2254541	655.0305094	918.3782839	832.7550312	519.4273796	820.2660965	1202.256322	565.5284436	767.5599089	3691.852585	1159.401889	1722.994603	1900.089258	734.5350592	2402.083904	1472.147643	932.1863703	464.1399417	801.3128262	2204.63677	641.5776537	3114.052867	1010.305339	3124.768266	5637.121295	2927.579989	2464.23175	2075.718172	2691.589001	2123.608589	1836.079631	1217.941402	966.6661208	2969.196661	1437.463642	2533.67161	2090.608239	5196.171184	1397.708564	1892.602413	1810.312446	2355.119286	2074.458336	8225.072899	4077.731937	4490.607161	1971.643903	2169.97876	2556.0499	2031.115484	1349.098075	2304.629079	738.3195773	2175.070036	0	2707.546898	1343.690459	2775.71389	2108.540296	2517.964631	1020.883003	1826.186113	2420.738038	2675.015888	626.8384332	3706.103703	3315.976212	1915.253176	1174.294588
ALPHA-TOCOPHEROL	7099.673447	6784.745825	7329.481183	5753.928634	6125.591527	7681.594106	3804.691309	7336.160614	4642.068077	6027.808133	5551.852533	9673.671696	7680.909413	10333.1538	10471.00373	8832.149507	4756.259153	3569.213808	9493.929505	11590.82703	6442.853064	5835.03355	8239.209755	7210.717396	7281.443625	9189.687029	7509.40506	5258.29114	9504.749827	11082.77909	7950.740876	6546.687245	7954.069145	7438.274946	6220.997116	8602.847167	6128.738201	7717.60603	7779.353457	7871.53983	7515.999586	7966.442787	6258.883498	8089.833965	7525.053631	7643.408506	8220.977995	9304.000331	7651.674139	10142.858	8787.969564	9957.388333	6705.139724	7627.481225	5708.402854	3790.315009	7659.43896	6502.942967	4298.448921	5259.677875	7213.011248	6379.353604	4380.402781	8869.863207	7335.097367	3805.165164	7426.998717	5756.852493	5722.05743	4473.835924	7438.820752	6586.084803	7187.618853	6501.325772	4397.947548	5940.693842	3537.445166	9927.378315	7375.650267	4163.1119	7381.541521	5215.623366	4862.21087	7045.225053	3546.148508	6026.266886	5839.272986	4053.133515	4084.10668	6622.326567	6498.014119	8136.588969	5272.454953	5459.329222	6944.901362	7772.09923	8208.492205	11320.12318	3539.941691	5690.077571	7134.339129	3847.184757	13290.53805	10236.7868	9013.798493	9156.158011	14035.81939	9712.319388	8335.230882	7902.325367	11768.69885	12636.4458	12593.5467	10674.26463	15716.17619	8385.689354	7109.49162	5288.14333	12501.53041	8499.927203	9142.69952	10799.64343	10137.29844	10691.09732	8778.343561	8855.007243	13256.69243	11501.2561	8303.994879	9315.842275	12000.98389	10071.85084	11619.24669	10485.59881	12240.39817	10180.66493	11484.88603	10249.45039	8997.504852	7871.647916	6909.96687	8785.223911	9740.226586	9410.475715	10809.09319	6718.959879	8163.0913	8673.88977	10025.20669	9489.42962
CHOLESTEROL	152598.3403	125332.2127	132571.4635	135115.9681	148899.5718	137041.4714	113450.3452	146198.9953	125295.6675	133291.8691	116845.1779	143377.0718	146915.9147	157463.2608	159001.1887	158733.8804	119467.8848	106998.8975	141072.2582	130204.6331	106255.844	138797.1914	124597.8782	102442.9691	126872.9365	110333.8776	122038.8142	100638.8209	129012.4435	131489.0863	111892.1338	132592.8784	139184.5669	135110.2212	116374.438	123101.2676	133356.0737	114088.7972	132303.4179	122595.4555	126198.5227	151565.5094	126241.239	105224.1868	133506.0246	135804.1005	140875.839	139194.0311	108077.3634	144790.5729	148231.3822	122844.5548	147161.1722	133788.0136	107321.8787	114867.8466	130244.0437	109649.4534	98605.81209	98335.68805	128866.6604	140266.4239	116754.1298	120641.2995	116156.5701	103757.9839	122376.8022	125179.5916	127964.1094	126234.6007	112467.8989	115650.091	130888.5053	113042.3951	120664.1961	126183.8704	107253.0477	125453.2064	128306.7557	126060.089	126638.4155	106803.9323	115283.6668	112627.1373	116760.3516	121037.3772	126786.0537	108970.9116	108082.2196	136944.1631	121693.8326	108456.3046	107992.4312	134770.9917	129589.5679	114371.1284	121944.0245	125046.8604	116824.4898	97356.30779	143790.0183	102981.4826	144668.2357	143787.0155	144172.2901	136974.7187	143574.1851	141260.9784	121581.1172	126378.3796	153958.3115	165204.2921	132415.3936	129906.6084	124824.2714	131300.1745	149527.4907	106610.7497	118624.8539	126601.2611	136800.4774	141596.2594	126485.4658	124165.3568	134650.9553	140709.5683	138307.0868	141253.2124	123227.9089	116208.6714	138897.4296	125627.4064	136657.8374	143126.263	133241.9012	135850.2892	125464.6572	124855.9285	132428.0566	140522.1821	123758.8073	123066.096	122647.7713	122066.576	135885.3265	122432.9946	131151.1658	131862.1818	133494.1706	150125.3234
1-STEAROYL-sn-GLYCERO-3-PHOSPHOCHOLINE derivative	4005.512448	3705.566939	6589.623651	3385.55376	3062.169809	7761.006212	2060.347785	6946.018886	4082.633301	2209.421284	3413.740002	10872.36226	2616.883404	5294.628431	8874.322811	6704.135347	1357.021643	4018.236524	4404.677276	8914.990508	9397.483777	3296.104604	2951.048243	4879.717701	7876.735561	5544.097954	5595.165687	4479.64005	3953.282986	10308.32924	3835.316737	4495.094256	2293.955404	5317.434547	2250.207015	6263.652469	2668.862293	1818.211917	12675.02098	3598.284864	5676.427784	7768.902168	2024.212126	5317.279013	8292.272786	5933.683389	2713.69216	5037.453294	1836.902604	4880.931667	7623.869151	5445.493831	3741.907987	4100.003378	3592.601796	2864.888972	7686.072431	4182.782916	3819.456825	2353.772252	2817.271941	5867.628267	3116.350409	4022.071795	6894.834888	4526.448021	3104.115014	2711.818909	2047.460214	3600.673902	2488.052053	5812.824493	6270.735204	3051.945356	2671.607754	1925.493823	1012.284094	5486.770538	6905.288346	5631.326524	3830.099669	3322.932642	3613.452533	5183.083337	2083.622484	4329.319232	2847.469708	2263.492519	1276.171366	7746.441766	7739.042299	5273.57614	2209.480472	3364.972318	3935.29285	4692.280348	6778.647655	9170.683269	2977.842566	1341.340642	3263.840899	4063.895431	20190.82422	17061.68594	18635.09575	15175.46729	22024.98781	17626.78251	14899.1503	13843.77595	23869.07357	17573.98781	12113.65279	8610.478857	21401.93287	5855.148342	3788.588261	7492.297159	15400.96833	14019.64408	10169.50107	12961.4783	14425.03969	13777.51365	22687.9053	14055.86432	23458.6653	18121.91389	13291.62908	10971.16811	11430.9433	8462.028195	19931.4077	13049.32681	17835.10641	19409.89916	16744.95	12743.36802	15216.52343	13910.70544	10414.81965	11149.85781	12933.07388	13541.21851	19461.49855	11260.42133	13870.03627	12068.89787	10921.3813	13160.97286

metabolite_name	Compund	Annotated	RI (resolved)	M/z (unique)	M/z Correlation (%)	M/z Accuracy (%)
PYRUVIC ACID	PYRUVIC ACID-MEOX TMS RI1062	Manual	1070
GLYCOLIC ACID	GLYCOLIC ACID-2TMS 1 M/z205	Mz_205	1092	205	98.84	99.77
2-OXOBUTYRIC ACID	2-OXOBUTYRIC ACID-MEOX TMS 1	AR_9	1116	188	82.39	96.94
ALANINE	ALANINE-N,O-TMS 1 M/z191	Mz_191	1117	191	99.80	99.76
GLYCINE	GLYCINE,N,O-TMS 1 M/z204	Mz_204	1136	204	99.45	99.96
HydroxyButyric acid-nTMS	RI 1137 M/z 205 1 M/z234	Mz_234	1139	234	99.04	99.74
5,6-Dihydrouracil-like	RI 1152 M/z 235 1 M/z237	Mz_237	1155	237	99.65	99.96
3-HYDROXYBUTYRIC ACID	3-HYDROXYBUTYRIC ACID-2TMS 1 M/z191	Mz_191	1171	191	99.27	98.31
2-AMINOBUTYRIC ACID	2-AMINOBUTYRIC ACID, O,N-TMS 1	AR_3	1180	232	98.19	99.86
UREA	UREA-3TMS_1 1 M/z78	Mz_78	1187	78	98.94	99.72
BETA-ALANINE (2TMS)	BETA-ALANINE,N,O-TMS 1 M/z176	Mz_176	1197	176	97.54	99.95
3-HYDROXYISOVALERIC ACID	3-HYDROXYISOVALERIC ACID-2TMS 1 M/z131	Mz_131	1214	131	99.03	99.92
VALINE	VALINE,N,O-TMS 1 M/z246	Mz_246	1220	246	98.36	95.51
Ethanolamine-like	RI 1232 M/z 174 1 M/z175	Mz_175	1234	175	99.92	99.88
LEUCINE	LEUCINE, N,O-TMS 1	AR_5	1274	260	89.74	98.72
ISOLEUCINE	ISOLEUCINE, N,O-TMS 1 M/z233	Mz_233	1294	233	97.82	98.64
PROLINE	PROLINE,N,O-TMS 1 M/z216	Mz_216	1298	216	98.90	98.19
GLYCERIC ACID	GLYCERIC ACID-3TMS RI1332	Manual	1330
FUMARIC ACID	FUMARIC ACID-2TMS 1	AR_3	1351	247	98.87	67.90
2,3-Dihydroxybutanoic acid-like	RI 1350 M/z 292 1 M/z149	Mz_149	1351	149	99.83	99.79
SERINE	SERINE,N,O,O-TMS 1 M/z307	Mz_307	1359	307	95.59	99.12
PIPECOLIC ACID	PIPECOLIC ACID,N,O-TMS RI1362	Manual	1362
THREONINE	THREONINE,N,O,O-TMS 1 M/z320	Mz_320	1382	320	99.69	99.98
GLUTARIC ACID	GLUTARIC ACID-2TMS RI1405	Manual	1402
Cysteine, S-methyl-, DL- (2TMS)	RI 1416 M/z 218 1 M/z162	Mz_162	1417	162	97.77	99.70
BETA-ALANINE (3TMS)	BETA-ALANINE, N,N,O-TMS 1	AR_4	1424	249	99.53	99.71
3,4-Dihydroxybutanoic acid-like	RI 1427 M/z 189 1	AR_3	1428	321	99.50	99.28
Aminomalonic acid-like	RI 1465 M/z 218 1	AR_3	1466	323	99.90	99.94
Glutamine [-H2O] (2TMS) BP	RI 1468 M/z 155 1	AR_4	1469	156	99.38	70.19
MALIC ACID	MALIC ACID-3TMS 1	AR_3	1483	336	98.66	99.39
ERYTHRITOL	ERYTHRITOL-4TMS 2 M/z217	Mz_217	1494	217	99.40	99.62
ADIPIC ACID	ADIPIC ACID-2TMS RI1505	Manual	1502
Iminodiacetic acid (3TMS)	RI 1525 M/z 306 1 M/z350	Mz_350	1526	350	95.60	99.83
L-Threonic acid	RI 1536 M/z 292 1	AR_4	1536	409	89.50	98.51
CREATININE	CREATININE-3TMS 1	AR_3	1549	332	99.42	99.97
CYSTEINE	CYSTEINE,N,O,S-TMS 1 M/z219	Mz_219	1551	219	97.65	93.52
ALPHA-KETOGLUTARIC ACID	ALPHA-KETOGLUTARIC ACID-MEOX 2TMS 1	AR_4	1570	304	99.64	94.93
GLUTAMINE (4TMS)	GLUTAMINE,N,N,N,O-TMS_3 1 M/z345	Mz_345	1584	345	96.53	99.71
ORNITHINE (3TMS)	ORNITHINE,N,N,O-TMS_1 1 M/z244	Mz_244	1609	244	98.00	99.61
GLUTAMIC ACID	GLUTAMIC ACID,N,O,O-TMS 1 M/z363	Mz_363	1615	363	96.65	99.49
ASPARAGINE (4TMS)	ASPARAGINE, N,N,N,O-TMS_2 1	AR_26	1621	188	85.83	76.79
PHENYLALANINE	PHENYLALANINE,N,O-TMS 1 M/z268	Mz_268	1622	268	97.51	99.04
ACETAMINOPHEN	ACETAMINOPHEN-2TMS 1 M/z297	Mz_297	1627	297	99.61	99.94
TARTARIC ACID	TARTARIC ACID 4TMS 1 M/z189	Mz_189	1629	189	97.86	48.68
4-HYDROXYPHENYLACETIC ACID	4-HYDROXYPHENYLACETIC ACID-2TMS 1 M/z252	Mz_252	1635	252	99.10	99.88
XYLOSE	XYLOSE-MEOX 4TMS_1 1 M/z307	Mz_307	1648	307	98.90	99.04
DODECANOIC ACID	DODECANOIC ACID-TMS 1 M/z258	Mz_258	1649	258	98.36	97.43
TAURINE	TAURINE-3TMS 1 M/z329	Mz_329	1662	329	99.17	99.77
ASPARAGINE (3TMS)	ASPARAGINE,N,N,O-TMS 1 M/z258	Mz_258	1664	258	99.77	98.55
RIBOSE	RIBOSE-MEOX 4TMS RI1668	Manual	1668
XYLULOSE	XYLULOSE-MEOX 4TMS 1 M/z263	Mz_263	1668	263	95.72	68.67
LYSINE (3TMS)	LYSINE,N,N,O-TMS_1 1	AR_3	1701	363	99.30	99.11
RIBITOL	RIBITOL-5TMS 1 M/z217	Mz_217	1712	217	98.94	98.69
LIDOCAINE	LIDOCAINE-TMS RI1745	Manual	1745
Drug-like	RI 1749 M/z 310 1	AR_3	1750	326	81.14	99.94
GLUTAMINE (3TMS)	GLUTAMINE,N,N,O-TMS_1 1 M/z348	Mz_348	1767	348	99.15	99.96
HIPPURIC ACID (2TMS)	HIPPURIC ACID-2TMS 1	AR_5	1797	322	98.61	97.67
ORNITHINE (4TMS)	ORNITHINE,N,N,N,O-TMS_2 1 M/z420	Mz_420	1809	420	99.45	97.45
CITRIC ACID	CITRIC ACID-4TMS 1 M/z466	Mz_466	1811	466	99.74	98.96
HIPPURIC ACID (1TMS)	HIPPURIC ACID-TMS 1	AR_8	1841	105	68.69	99.30
1,5-ANHYDRO-D-GLUCITOL	1,5-ANHYDRO-D-GLUCITOL-4TMS 1 M/z362	Mz_362	1845	362	99.72	99.92
FRUCTOSE	FRUCTOSE-MEOX 5TMS_1 1	AR_3	1864	366	97.80	99.96
HISTIDINE	HISTIDINE, N,N,O-TMS 1 M/z154	Mz_154	1918	154	95.27	89.76
LYSINE (4TMS)	LYSINE,N,N,N,O-TMS_2 1 M/z318	Mz_318	1921	318	98.17	99.53
MANNITOL	MANNITOL-6TMS 1 M/z217	Mz_217	1925	217	99.71	98.53
GLUCURONIC ACID	GLUCURONIC ACID-MEOX 5TMS_1 1 M/z365	Mz_365	1930	365	96.04	98.71
TYROSINE	TYROSINE,N,O,O-TMS 1 M/z383	Mz_383	1935	383	98.83	91.68
chiro-INOSITOL	INOSITOL, chiro-6TMS 1 M/z318	Mz_318	1948	318	99.21	88.13
scyllo-INOSITOL	INOSITOL, scyllo-6TMS 1 M/z318	Mz_318	2019	318	99.41	99.05
PALMITOLEIC ACID	PALMITOLEIC ACID-TMS 1	AR_3	2021	326	99.44	99.27
HEXADECANOIC ACID	HEXADECANOIC ACID-TMS 1 M/z328	Mz_328	2044	328	95.26	97.65
myo-INOSITOL	INOSITOL, myo-6TMS 1 M/z319	Mz_319	2083	319	98.86	99.29
NAPROXEN	NAPROXEN-TMS RI2085	Manual	2085
URIC ACID	URIC ACID-N,O,O,O-TMS 1 M/z456	Mz_456	2091	456	99.35	99.10
HEPTADECANOIC ACID	HEPTADECANOIC ACID-TMS 1 M/z132	Mz_132	2140	132	98.70	70.90
KYNURENINE	KYNURENINE-3TMS 1 M/z424	Mz_424	2185	424	99.07	93.83
CYSTATHIONINE	CYSTATHIONINE,N,N,O,O-TMS RI 2200	Manual	2202
TRYPTOPHAN	TRYPTOPHAN,N,N,O-TMS 1	AR_3	2207	293	99.39	99.61
OCTADECADIENOIC ACID, 9,12-(Z,Z)	OCTADECADIENOIC ACID, 9,12-(Z,Z)-TMS RI 2208	Manual	2208
OCTADECENOIC ACID, 9-(Z)	OCTADECENOIC ACID,-9-(Z)-TMS 1 M/z340	Mz_340	2216	340	99.29	99.68
OCTADECANOIC ACID	OCTADECANOIC ACID-TMS 1 M/z357	Mz_357	2240	357	99.54	99.67
CYSTINE	CYSTINE,N,N,O,O-TMS 1	AR_3	2285	413	99.73	76.41
Pseudo uridine-like	RI 2323 M/z 217 1 M/z425	Mz_425	2323	425	98.83	98.67
EDTA_minor_peak	RI 2354 M/z 290 1 M/z522	Mz_522	2354	522	98.94	99.78
Inositol-2-phosphate, myo- (7TMS)	RI 2404 M/z 299 1 M/z389	Mz_389	2404	389	96.32	99.76
DOCOSAHEXAENOIC ACID	DOCOSAHEXAENOIC ACID-TMS 1	AR_3	2555	108	94.51	99.58
SUCROSE	SUCROSE-8TMS 1 M/z438	Mz_438	2629	438	95.59	96.63
MALTOSE 1	MALTOSE-MEOX 8TMS_2 1 M/z361	Mz_361	2737	361	99.59	99.86
MALTOSE 2	MALTOSE-MEOX 8TMS_2 2 M/z361	Mz_361	2762	361	99.33	98.72
ISOMALTOSE	ISOMALTOSE-MEOX 8TMS_1 1	AR_5	2863	363	91.37	95.80
GAMMA-TOCOPHEROL	GAMMA-TOCOPHEROL-TMS RI2992	Manual	2992
NA	RI 2997 M/z 184 1 M/z184	Mz_184	2997	184	99.21	98.26
1-PALMITOYL-sn-GLYCERO-3-PHOSPHOCHOLINE derivative	1-PALMITOYL-sn-GLYCERO-3-PHOSPHOCHOLINE-TMS derivative 1	AR_4	3032	300	97.69	98.21
ADENOSINE	ADENOSINE-5-MONOPHOSPHATE-5TMS 1 M/z315	Mz_315	3057	315	99.21	99.76
ALPHA-TOCOPHEROL	ALPHA-TOCOPHEROL-TMS 1 M/z504	Mz_504	3143	504	98.45	99.47
CHOLESTEROL	CHOLESTEROL-TMS 1 M/z353	Mz_353	3162	353	97.27	99.33
1-STEAROYL-sn-GLYCERO-3-PHOSPHOCHOLINE derivative	1-STEAROYL-sn-GLYCERO-3-PHOSPHOCHOLINE-TMS derivative 1 M/z299	Mz_299	3221	299	98.46	99.30