#METABOLOMICS WORKBENCH sakanaka_20210815_042737_mwtab.txt DATATRACK_ID:2799 STUDY_ID:ST001906 ANALYSIS_ID:AN003103 PROJECT_ID:000000
VERSION             	1
CREATED_ON             	August 15, 2021, 12:01 pm
#PROJECT
PR:PROJECT_TITLE                 	Study on the correlation between saliva and plasma in glucose intolerance
PR:PROJECT_SUMMARY               	Metabolomic profiling of plasma and saliva in type 2 diabetes patients was
PR:PROJECT_SUMMARY               	performed.
PR:INSTITUTE                     	Osaka University
PR:LAST_NAME                     	Sakanaka
PR:FIRST_NAME                    	Akito
PR:ADDRESS                       	Yamadaoka 1-8, Suita, Osaka, 565-0871, Japan
PR:EMAIL                         	sakanaka@dent.osaka-u.ac.jp
PR:PHONE                         	+81668792922
#STUDY
ST:STUDY_TITLE                   	Metabolomic profiling of plasma in diabetes patients
ST:STUDY_SUMMARY                 	We performed comprehensive profiling of plasma and salivary metabolomes, and
ST:STUDY_SUMMARY                 	investigated multivariate covariations with clinical markers of oral and
ST:STUDY_SUMMARY                 	cardiometabolic health in healthy subjects and type 2 diabetes patients. The key
ST:STUDY_SUMMARY                 	findings highlight the potential utility of salivary metabolites for reflecting
ST:STUDY_SUMMARY                 	cardiometabolic changes, including hyperglycemia and dyslipidemia. Our study
ST:STUDY_SUMMARY                 	shows that analysis of panels of salivary metabolites may become an attractive
ST:STUDY_SUMMARY                 	alternative to blood testing for screening of metabolic disorders.
ST:INSTITUTE                     	Osaka University
ST:LAST_NAME                     	Sakanaka
ST:FIRST_NAME                    	Akito
ST:ADDRESS                       	1-8 Yamadaoka, Suita, Osaka 565-0871, Japan
ST:EMAIL                         	sakanaka@dent.osaka-u.ac.jp
ST:PHONE                         	+81668792922
#SUBJECT
SU:SUBJECT_TYPE                  	Human
SU:SUBJECT_SPECIES               	Homo sapiens
SU:TAXONOMY_ID                   	9606
#SUBJECT_SAMPLE_FACTORS:         	SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Raw file names and additional sample data
SUBJECT_SAMPLE_FACTORS           	-	P15B	Diagnosis:Diabetes	
SUBJECT_SAMPLE_FACTORS           	-	C16	Diagnosis:Control	
SUBJECT_SAMPLE_FACTORS           	-	P30B	Diagnosis:Diabetes	
SUBJECT_SAMPLE_FACTORS           	-	C21	Diagnosis:Control	
SUBJECT_SAMPLE_FACTORS           	-	P29B	Diagnosis:Diabetes	
SUBJECT_SAMPLE_FACTORS           	-	C20	Diagnosis:Control	
SUBJECT_SAMPLE_FACTORS           	-	P19B	Diagnosis:Diabetes	
SUBJECT_SAMPLE_FACTORS           	-	C29	Diagnosis:Control	
SUBJECT_SAMPLE_FACTORS           	-	P08B	Diagnosis:Diabetes	
SUBJECT_SAMPLE_FACTORS           	-	C19	Diagnosis:Control	
SUBJECT_SAMPLE_FACTORS           	-	P23B	Diagnosis:Diabetes	
SUBJECT_SAMPLE_FACTORS           	-	C15	Diagnosis:Control	
SUBJECT_SAMPLE_FACTORS           	-	P07B	Diagnosis:Diabetes	
SUBJECT_SAMPLE_FACTORS           	-	C27	Diagnosis:Control	
SUBJECT_SAMPLE_FACTORS           	-	P12B	Diagnosis:Diabetes	
SUBJECT_SAMPLE_FACTORS           	-	C01	Diagnosis:Control	
SUBJECT_SAMPLE_FACTORS           	-	P24B	Diagnosis:Diabetes	
SUBJECT_SAMPLE_FACTORS           	-	C14	Diagnosis:Control	
SUBJECT_SAMPLE_FACTORS           	-	P20B	Diagnosis:Diabetes	
SUBJECT_SAMPLE_FACTORS           	-	C28	Diagnosis:Control	
SUBJECT_SAMPLE_FACTORS           	-	P22B	Diagnosis:Diabetes	
SUBJECT_SAMPLE_FACTORS           	-	C08	Diagnosis:Control	
SUBJECT_SAMPLE_FACTORS           	-	P10B	Diagnosis:Diabetes	
SUBJECT_SAMPLE_FACTORS           	-	C10	Diagnosis:Control	
SUBJECT_SAMPLE_FACTORS           	-	P16B	Diagnosis:Diabetes	
SUBJECT_SAMPLE_FACTORS           	-	C17	Diagnosis:Control	
SUBJECT_SAMPLE_FACTORS           	-	P13B	Diagnosis:Diabetes	
SUBJECT_SAMPLE_FACTORS           	-	C25	Diagnosis:Control	
SUBJECT_SAMPLE_FACTORS           	-	P06B	Diagnosis:Diabetes	
SUBJECT_SAMPLE_FACTORS           	-	C04	Diagnosis:Control	
SUBJECT_SAMPLE_FACTORS           	-	P26B	Diagnosis:Diabetes	
SUBJECT_SAMPLE_FACTORS           	-	C03	Diagnosis:Control	
SUBJECT_SAMPLE_FACTORS           	-	P11B	Diagnosis:Diabetes	
SUBJECT_SAMPLE_FACTORS           	-	C30	Diagnosis:Control	
SUBJECT_SAMPLE_FACTORS           	-	P01B	Diagnosis:Diabetes	
SUBJECT_SAMPLE_FACTORS           	-	C12	Diagnosis:Control	
SUBJECT_SAMPLE_FACTORS           	-	P25B	Diagnosis:Diabetes	
SUBJECT_SAMPLE_FACTORS           	-	C11	Diagnosis:Control	
SUBJECT_SAMPLE_FACTORS           	-	P17B	Diagnosis:Diabetes	
SUBJECT_SAMPLE_FACTORS           	-	C06	Diagnosis:Control	
SUBJECT_SAMPLE_FACTORS           	-	P32B	Diagnosis:Diabetes	
SUBJECT_SAMPLE_FACTORS           	-	C23	Diagnosis:Control	
SUBJECT_SAMPLE_FACTORS           	-	P09B	Diagnosis:Diabetes	
SUBJECT_SAMPLE_FACTORS           	-	C02	Diagnosis:Control	
SUBJECT_SAMPLE_FACTORS           	-	P14B	Diagnosis:Diabetes	
SUBJECT_SAMPLE_FACTORS           	-	C18	Diagnosis:Control	
SUBJECT_SAMPLE_FACTORS           	-	P21B	Diagnosis:Diabetes	
SUBJECT_SAMPLE_FACTORS           	-	C24	Diagnosis:Control	
SUBJECT_SAMPLE_FACTORS           	-	P05B	Diagnosis:Diabetes	
SUBJECT_SAMPLE_FACTORS           	-	C05	Diagnosis:Control	
SUBJECT_SAMPLE_FACTORS           	-	P02B	Diagnosis:Diabetes	
SUBJECT_SAMPLE_FACTORS           	-	C09	Diagnosis:Control	
SUBJECT_SAMPLE_FACTORS           	-	P27B	Diagnosis:Diabetes	
SUBJECT_SAMPLE_FACTORS           	-	C26	Diagnosis:Control	
SUBJECT_SAMPLE_FACTORS           	-	P04B	Diagnosis:Diabetes	
SUBJECT_SAMPLE_FACTORS           	-	C22	Diagnosis:Control	
SUBJECT_SAMPLE_FACTORS           	-	P33B	Diagnosis:Diabetes	
SUBJECT_SAMPLE_FACTORS           	-	C13	Diagnosis:Control	
SUBJECT_SAMPLE_FACTORS           	-	P31B	Diagnosis:Diabetes	
SUBJECT_SAMPLE_FACTORS           	-	C07	Diagnosis:Control	
SUBJECT_SAMPLE_FACTORS           	-	P03B	Diagnosis:Diabetes	
#COLLECTION
CO:COLLECTION_SUMMARY            	Fasting plasma used for metabolomics was collected, kept at 4℃ in a freezer
CO:COLLECTION_SUMMARY            	(CubeCooler®; Forte Grow Medical, Tochigi, Japan), and then subsequently frozen
CO:COLLECTION_SUMMARY            	at −80℃
CO:SAMPLE_TYPE                   	Blood (plasma)
#TREATMENT
TR:TREATMENT_SUMMARY             	Systemically healthy controls and T2D patients were recruited.
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	At first, 50 µL of plasma was mixed with 150 µL of deaerated H2O containing
SP:SAMPLEPREP_SUMMARY            	0.2 mg/mL of ribitol, which was used as an internal standard, (1200 rpm, 10 min,
SP:SAMPLEPREP_SUMMARY            	4°C). Then, 800 µL of deaerated MeCN was added (1200 rpm, 10 min, 4°C) and
SP:SAMPLEPREP_SUMMARY            	centrifuged (16000×g, 3 min, 4°C). Next, 300 µL of supernatant were
SP:SAMPLEPREP_SUMMARY            	transferred to an Eppendorf tube. All the steps up to this point were performed
SP:SAMPLEPREP_SUMMARY            	in a cold room at 4°C. The samples were then dried in a vacuum centrifuge dryer
SP:SAMPLEPREP_SUMMARY            	for 1 hour and lyophilized overnight. For derivatization, first, 100 µL of
SP:SAMPLEPREP_SUMMARY            	methoxyamine hydrochloride in pyridine (20 mg/mL) was added to the samples, and
SP:SAMPLEPREP_SUMMARY            	the mixture was incubated (1200 rpm, 90 min, 30°C). A second derivatizing
SP:SAMPLEPREP_SUMMARY            	agent, N-methyl-N-trimethysilyl-trifuroacetamide (MSTFA), was then added and the
SP:SAMPLEPREP_SUMMARY            	mixture was incubated (1200 rpm, 30 min, 37°C). After centrifucation (16000×g,
SP:SAMPLEPREP_SUMMARY            	3 min), 100 µL of derivatized samples were transferred to glass vials.
#CHROMATOGRAPHY
CH:CHROMATOGRAPHY_TYPE           	GC
CH:INSTRUMENT_NAME               	GC-MS/MS-TQ8040
CH:COLUMN_NAME                   	InertCap 5MS/NP capillary column
#ANALYSIS
AN:ANALYSIS_TYPE                 	MS
#MS
MS:INSTRUMENT_NAME               	Shimazu TQ8040
MS:INSTRUMENT_TYPE               	Triple quadrupole
MS:MS_TYPE                       	EI
MS:ION_MODE                      	POSITIVE
MS:MS_COMMENTS                   	GC-MS data were converted into ABF format using an ABF converter, then processed
MS:MS_COMMENTS                   	using MS-DIAL (version 3.90) to perform feature detection, spectra
MS:MS_COMMENTS                   	deconvolution, metabolite identification, and peak alignment (Tsugawa et al.
MS:MS_COMMENTS                   	2015). Normalization was then performed based on the internal standard (ribitol)
MS:MS_COMMENTS                   	as well as the LOWESS algorithm, whereby metabolic feature signal drift with
MS:MS_COMMENTS                   	time was independently corrected by fitting a LOWESS curve to the MS signal
MS:MS_COMMENTS                   	measured in QCs.
#MS_METABOLITE_DATA
MS_METABOLITE_DATA:UNITS	Intensity
MS_METABOLITE_DATA_START
Samples	P15B	C16	P30B	C21	P29B	C20	P19B	C29	P08B	C19	P23B	C15	P07B	C27	P12B	C01	P24B	C14	P20B	C28	P22B	C08	P10B	C10	P16B	C17	P13B	C25	P06B	C04	P26B	C03	P11B	C30	P01B	C12	P25B	C11	P17B	C06	P32B	C23	P09B	C02	P14B	C18	P21B	C24	P05B	C05	P02B	C09	P27B	C26	P04B	C22	P33B	C13	P31B	C07	P03B
Factors	Diagnosis:Diabetes	Diagnosis:Control	Diagnosis:Diabetes	Diagnosis:Control	Diagnosis:Diabetes	Diagnosis:Control	Diagnosis:Diabetes	Diagnosis:Control	Diagnosis:Diabetes	Diagnosis:Control	Diagnosis:Diabetes	Diagnosis:Control	Diagnosis:Diabetes	Diagnosis:Control	Diagnosis:Diabetes	Diagnosis:Control	Diagnosis:Diabetes	Diagnosis:Control	Diagnosis:Diabetes	Diagnosis:Control	Diagnosis:Diabetes	Diagnosis:Control	Diagnosis:Diabetes	Diagnosis:Control	Diagnosis:Diabetes	Diagnosis:Control	Diagnosis:Diabetes	Diagnosis:Control	Diagnosis:Diabetes	Diagnosis:Control	Diagnosis:Diabetes	Diagnosis:Control	Diagnosis:Diabetes	Diagnosis:Control	Diagnosis:Diabetes	Diagnosis:Control	Diagnosis:Diabetes	Diagnosis:Control	Diagnosis:Diabetes	Diagnosis:Control	Diagnosis:Diabetes	Diagnosis:Control	Diagnosis:Diabetes	Diagnosis:Control	Diagnosis:Diabetes	Diagnosis:Control	Diagnosis:Diabetes	Diagnosis:Control	Diagnosis:Diabetes	Diagnosis:Control	Diagnosis:Diabetes	Diagnosis:Control	Diagnosis:Diabetes	Diagnosis:Control	Diagnosis:Diabetes	Diagnosis:Control	Diagnosis:Diabetes	Diagnosis:Control	Diagnosis:Diabetes	Diagnosis:Control	Diagnosis:Diabetes
Propylene glycol	50.82782051	48.31994156	30.01123919	36.53965658	15.72828291	41.06554125	27.60464433	34.6974043	104.7795711	153.8094528	51.2096831	29.94328039	15.56971904	13.75591017	30.18718456	23.21627771	12.22689692	10.15790271	18.62031218	28.74138223	21.68350959	52.55476975	20.86532668	16.29429162	29.78227684	42.02940654	11.31829006	4164.026059	71.69062367	377.9342688	54.87924984	79.84345222	17.08578068	48.76339483	15.50815739	68.21868787	11.64981001	32.55113025	6.240193081	27.5113854	81.59924256	18.14356346	42.73014115	106.2943362	81.10812241	140.8083594	29.19663773	16.84997277	40.97241401	57.4382215	19.14254689	37.61951254	30.8556852	52.12849583	30.08097543	49.63495002	23.69600763	103.4005864	33.60339649	30.33387831	20.33350198
Pyruvate	21610.74699	9351.436602	8155.246246	9365.538279	10999.40555	10565.87008	10207.67093	9889.834286	10712.66046	12860.99007	9776.499854	9908.071289	9454.510611	9951.756568	8603.236408	2439.864395	6812.365099	7092.997374	12235.83941	9382.144637	8749.842102	16049.13017	8100.17867	5094.216113	8494.778524	8234.920468	10306.25329	12635.90299	6326.158876	12007.00208	11366.19789	6166.127078	2196.93877	14240.52558	4536.293561	10985.90023	13619.56832	15270.29254	13648.16022	11095.1345	7376.469517	8346.595476	13420.1298	11141.46708	13350.2672	8642.049861	10214.72435	13069.1528	15065.96494	18026.5264	9053.691857	13909.27033	9019.832078	13102.52585	8175.506159	9572.203957	6227.365936	8522.575198	23068.27242	18215.7197	8250.882647
Lactate	555933.7122	301121.9582	375684.4777	358233.7203	415319.5044	344186.0491	556475.9695	494404.581	419273.3549	361694.5442	320975.289	264194.8543	383615.2164	327071.9353	290335.4171	298409.9083	284554.4112	305384.8208	404889.9978	395378.1087	275330.7606	522405.2708	270147.7139	240571.6053	264646.5075	245108.655	558524.0168	409520.6226	318737.3464	376792.6146	450035.4158	255943.8568	431781.6964	419615.1865	276964.2936	271537.5567	370700.788	318328.144	504407.4077	520640.421	256201.0783	288442.1672	600624.922	382862.3587	377202.3864	266090.4952	305823.7023	340567.7613	516147.8422	573963.2514	334874.1408	551744.5537	422303.8032	500465.442	351701.0182	245526.4193	410826.1216	249415.1489	584749.2071	478154.9973	342772.9168
Glycolate	3398.551832	3672.25373	3229.057731	2743.126417	3150.107587	2496.602874	4004.228438	2922.934565	2953.183619	2659.549404	2753.304757	3670.554116	3591.057917	3918.602855	3485.991015	3210.279282	2974.404398	4807.641716	3946.400291	3312.73017	3887.621936	4640.390998	5388.530272	3236.311003	2403.406574	2964.097624	2610.629042	3671.048788	4307.301903	3835.692983	3243.444185	5060.628357	4411.590269	3928.952555	3615.062	3338.471853	4039.452151	3270.596845	4027.276466	3777.343969	3155.864708	4128.186549	4181.84812	3410.61575	3446.173988	4040.200294	3808.100859	3520.596717	3508.234239	4275.9477	3256.231901	3662.032387	2869.791744	3798.371533	3738.471202	3371.532631	2831.679338	3080.594577	3193.658765	4482.869926	4498.412842
Alanine	675140.72	296115.0798	431287.691	225247.6579	417227.1405	305226.8456	387383.9978	461287.4787	318956.7733	372900.014	312712.2973	340361.649	397596.4465	310282.7279	344614.7367	325359.7759	301155.6558	537380.5856	356726.5783	379958.096	484651.5319	425908.3133	354566.1446	347614.8949	383280.7046	414176.2167	294202.891	480266.6504	327905.9978	480618.6042	341097.27	257628.0056	490768.4823	452078.1187	465394.4022	357059.4644	414210.4433	273701.432	463571.0073	475190.1163	267352.184	379752.3982	543560.6264	323430.1298	583534.8861	335061.7886	443222.6873	204288.1973	384716.906	367881.7294	399281.0503	476760.2421	501691.2484	515556.9492	296123.8148	95288.60116	575021.5179	307468.8188	541042.7478	480419.6261	430894.9127
2-Hydroxybutyrate	20126.13283	6466.048863	10137.01398	5084.023329	15007.97426	7198.173323	16055.04657	9329.926469	21485.14704	10554.69119	14332.55609	9079.778405	10953.84738	5483.920783	13391.36762	4785.627091	16349.37657	7467.525792	15087.38921	6860.45738	10011.50892	6613.614289	10278.50103	6207.840495	10060.68871	5994.231682	8661.786961	7202.413298	9149.947463	4140.374245	21152.45147	3822.166825	10362.54558	5772.08891	12791.6791	6721.705229	16522.03465	6480.331175	12897.59	9683.342906	8798.974056	5974.935106	10500.24344	4043.502984	17348.48478	10004.3141	15542.15958	7713.919678	28975.82302	6823.542391	9673.12657	8209.640905	15942.51271	8774.991551	21577.87788	5746.373762	22780.42076	5024.201775	17545.81575	6729.074735	16279.23983
Ketovaline	446.0501494	355.2944848	308.4143441	405.7398635	358.9091627	478.3637621	511.9095315	370.7681773	382.727688	678.81024	424.2263855	294.1961026	590.2205687	522.7219563	430.2439319	376.5133106	305.6562419	232.6396058	300.3902308	190.0163129	177.9739556	350.9728149	326.9025077	346.9746636	250.2456347	405.6907439	150.2981975	395.245979	319.4840096	140.8749333	379.3938598	314.8217709	515.5037919	517.3227505	352.1812257	483.1856707	506.1226232	436.8424038	575.2656981	585.744469	220.0532567	339.3987362	349.4850481	334.5314366	502.4771419	360.8813556	704.8807435	318.4884168	554.0450567	591.4876401	575.975321	622.7100422	354.8934082	649.5802986	707.6524313	482.4432221	685.5009608	470.5043619	625.4704868	345.9360221	287.8355582
3-Hydroxybutyrate	34449.78522	42053.3021	20048.3903	42058.12447	60258.62612	29617.11198	150269.9898	91370.07775	309943.1157	41131.91619	253347.7254	28972.74065	216732.7599	29988.11938	108133.4403	78663.02711	289097.463	18405.17911	57289.7894	23445.07033	21885.98569	16644.22725	29491.96218	25871.66338	23035.86859	45626.39755	63725.20671	21377.27435	33442.28296	14830.60494	187354.5112	17036.9851	21731.83183	16683.08239	141331.6111	45964.51556	88833.39976	18497.05364	27796.76277	20142.07161	372262.774	53803.42198	149946.8891	17390.00745	64209.13306	74054.91568	157412.2438	44434.17313	72544.48767	17699.75714	158219.0392	14117.53586	106191.143	23900.40204	146638.0756	97269.65231	82390.44205	109353.2125	35752.51169	25132.31468	66207.20758
2-Aminobutyrate	2709.000688	1923.014006	2284.712243	1426.080725	2889.257278	970.6215027	1800.509216	2282.252344	4397.556312	1978.654999	2203.067312	2631.699952	2540.694058	1488.845814	2907.379203	2483.64638	3151.708558	2695.70618	1457.764774	1947.963425	2381.856781	1786.242498	3263.854846	2032.147741	1901.774044	2004.643043	2685.870878	1372.711488	1674.617732	982.1932827	3184.088891	1812.222086	1592.369898	1608.087494	2677.899373	1608.234893	2574.624925	864.0777175	2232.584815	1090.405953	3586.045766	580.3340588	2401.965414	1171.051879	2891.070761	3144.258567	2859.29005	647.9220981	2424.874105	1525.787781	1440.234956	1715.165866	2672.301284	1986.220359	2356.404701	526.6211965	3237.715783	1603.138034	3026.217441	1269.031324	2702.836549
Ketoisoleucine	1790.569986	1169.396642	922.6190708	867.2480694	1403.774114	1084.83049	1325.359872	598.3217997	1855.674016	1526.528129	1452.207467	1001.579383	1367.817768	1208.101087	877.7477388	1447.772065	1482.868231	1704.794786	1119.288796	1215.3878	989.4733215	1272.390973	630.2732146	1390.318776	961.1538659	1637.552792	693.1844892	1792.839734	889.3884249	606.8236571	1327.898691	993.3146597	1245.101983	1540.359662	1073.823241	947.6921931	1243.842474	1043.873893	699.8910051	1738.653237	931.3731053	484.7543578	1205.10182	863.7653925	954.0675496	1673.213723	1296.382214	1212.840767	2495.410108	1681.011776	1162.904999	1582.584306	877.1016967	1273.817939	2035.59355	1260.514253	1190.310461	1094.445085	1457.713259	1252.183264	1045.953744
Valine	642675.694	376643.8236	369028.8191	309235.6014	462503.458	313433.3774	312894.5676	334145.3942	397360.2792	445978.6961	426217.9646	335341.1355	449084.2027	384046.4919	415074.6812	402362.816	492899.3504	517914.1792	462169.061	413006.8623	516301.1281	365416.4063	339885.388	440045.4697	451616.9371	384471.4113	367610.496	353886.5086	347181.0129	307739.7556	453234.2585	352389.1496	523576.8703	617895.8625	423105.8901	376467.1643	426519.0881	415549.0847	353255.9509	378115.6701	324598.0225	293248.1869	454276.4874	463447.9622	487284.0535	453948.9752	660563.2538	238807.8711	517706.2868	365375.5512	485632.2922	447438.5776	477073.3814	524982.127	588292.4348	108689.9613	551383.6801	358871.7809	473020.0228	394964.6957	437988.0327
Urea	3168709.779	2310469.57	2086984.782	1825409.774	2791374.896	1321397.574	1668809.662	2318510.01	1971713.36	2145510.741	2347835.743	2289579.024	1908568.112	2323857.108	1991659.954	2500712.206	2467959.658	1945966.973	3102185.299	2018279.957	3866026.69	2512056.475	1886401.327	1719625.418	1593669.428	1334808.106	1348495.17	1678215.77	2725233.882	1480693.291	2693922.503	2489866.291	1567875.714	2333207.852	2161855.732	1443754.093	1342270.879	1968257.698	2199458.338	1297209.084	2169129.322	1641529.459	1357686.941	2728527.761	2075612.084	2412623.68	2532447.489	2094422.103	2713068.297	1839377.081	3686592.684	2130705.71	2397473.514	1807020.3	2733625.453	1527640.478	2754801.899	2021252.396	3329387.449	1818593.984	2194197.619
Ethanolamine	3033.504609	2655.210655	3445.152769	2801.756133	2520.166915	2690.511676	3317.419779	2744.70761	2454.641448	3132.598905	3252.522786	2099.636342	2679.867684	3386.385601	3263.505343	3858.959189	2210.243463	3582.576801	2569.016515	2481.461459	1523.439253	3858.154351	3191.825171	3551.007274	2355.266567	2759.383755	2768.050204	4133.367533	3653.866894	3082.767384	3109.680862	3407.272044	3770.803901	3702.606295	2751.793604	2774.477336	3411.722743	1937.292112	3792.952972	2605.853771	3258.599043	3941.666753	4300.827669	3983.793343	3603.223402	3053.923998	2356.237217	2481.709417	4599.561664	3350.292446	2777.354803	3585.723795	2897.58069	3125.506743	2089.99098	2193.986472	3426.708648	3976.725903	2581.766382	2950.307768	3542.243759
Leucine	339853.1333	182591.0334	184625.5578	156048.6259	224210.998	147112.8976	155645.4163	152597.9567	222088.3475	217295.5639	238921.0407	160073.093	225310.5409	195426.5078	194967.5203	208834.8588	261621.1331	233917.7534	254730.2969	214277.8489	249192.4488	204614.7952	181207.2327	245845.2569	255077.6233	169468.6977	176733.6399	179828.9033	168837.6151	148663.0606	244370.3314	170412.7357	257575.772	315410.0445	223682.0433	192189.7693	206128.4699	191906.4175	156987.3746	207398.1407	160574.0483	136811.0048	202872.5492	241592.173	215143.6977	225579.0684	334937.4526	82306.66763	272431.9485	177250.3985	261434.7421	229810.5349	264896.4329	267177.1943	266358.1174	49297.49291	287693.6426	185638.6317	267599.2281	213649.2395	212838.7367
Phosphate	466190.6228	417648.3191	451178.2283	448100.1413	409363.6989	383037.9611	529180.4068	364018.1862	307414.3383	338312.4294	376305.8397	452754.5173	449530.6432	414634.093	562460.4419	532144.4178	464678.2292	487369.388	458584.4002	409596.588	533370.5107	422467.0217	459111.0707	420374.2317	361667.9286	360780.5205	468743.0465	373325.195	588841.9889	504111.4149	413954.2183	495827.7953	446002.9026	483030.7252	537934.7134	388045.8926	538061.9763	427572.6484	627859.3495	383799.5968	388504.3166	376211.2522	411776.3461	556898.4097	385888.4823	371592.9345	432536.9598	405433.6268	469925.2917	369582.8942	531153.806	420793.7434	655724.7431	464250.1617	533280.2673	406294.1736	629327.6514	602458.7038	396505.012	414880.6926	400669.185
Isoleucine	32272.27301	17200.99657	17227.20869	13546.33572	25053.26123	13235.87447	15611.94297	14412.50962	21570.60943	20549.2453	22868.87962	15674.38609	21014.3432	18874.59532	19585.39084	27473.59889	23497.48795	26004.80491	27958.21939	26708.64473	33404.94878	22192.45233	15857.73754	26647.89379	22551.25233	22012.10324	19421.05503	21874.33932	14847.89841	18068.13369	25887.45365	21493.55981	26025.92869	31004.10794	19951.35083	18468.22291	24055.75534	20685.73213	15567.84125	21760.87881	25720.76078	12774.47939	24589.86026	24121.41112	19859.8303	21563.09352	30389.67374	10220.81703	26164.12964	18195.85786	32374.3058	22899.94889	26137.23806	25615.26368	23476.4837	6225.37092	27452.79836	19068.70856	24522.19284	22656.8376	18775.82543
Proline	222385.8337	116002.5625	125616.8137	86611.21747	210465.6787	83432.66927	183060.3773	136882.0041	102228.831	114509.3169	122683.4102	127801.873	141467.4408	161633.6361	201436.6957	207510.4735	140796.9222	180082.6387	145788.6895	152173.3907	218362.2568	148908.0519	115806.5007	187587.0666	150722.7224	112109.5422	104004.5235	166235.4528	119386.0276	184230.718	188023.2761	145152.0983	159232.0477	247842.1734	135868.0467	233426.7562	144343.7299	108237.0614	111716.8293	163970.8847	95625.65676	128909.9219	161184.294	173623.4135	141037.0272	129371.7871	172633.3544	33980.49632	128573.4404	106978.837	143748.3862	174967.7409	169236.9503	163240.8131	122314.538	41450.46265	162798.1592	143237.9556	166419.6333	150188.2878	133539.0655
Succinate	1809.130308	2516.673954	2811.852131	1467.772193	3135.713331	1466.457175	2143.592953	1513.848942	1488.803969	1337.323192	1571.542661	2374.021731	1667.602827	2123.595029	1746.034098	2298.152124	1737.211107	3263.060556	2924.116796	2234.570615	3224.842701	1778.773546	2867.828241	2636.405571	2033.385013	2854.1601	2162.400554	2747.660528	2274.708926	2789.542628	1707.193622	2829.098743	2430.08694	2809.159166	3780.038787	2621.575468	1310.946916	1685.073743	1877.018439	1288.852267	3313.015158	2885.433728	3756.391999	2287.149617	2441.372624	1700.577006	1765.012563	2073.284171	2084.204267	3720.481074	2870.817858	3517.46371	2014.134548	3105.075582	3633.079131	3173.841818	2751.596044	3428.105385	1990.402635	1253.817207	1907.753443
Glycine	199108.676	203377.801	337183.6473	179617.4813	358263.5006	195292.8732	238106.2737	178983.2349	182418.9397	161990.4539	193893.7653	224789.0882	241361.392	285122.6004	184011.3756	290689.6347	186405.8952	230361.7909	210941.1706	210696.0777	337260.0311	260774.7307	304980.4113	271657.6118	151468.2435	260803.3904	247668.8454	291384.2097	233255.779	297346.8295	205454.4266	246435.9798	208251.756	270300.4138	389756.5159	226727.3058	163329.3933	161699.18	179435.3978	206953.8848	344100.3903	336598.7268	336337.6776	253276.3921	274432.0658	240682.8874	194715.1821	162050.0896	155763.6183	216950.3035	294402.6433	250497.0577	201812.4197	212696.3894	364878.6463	233150.5865	253706.7552	462977.7051	215149.3444	207068.897	154901.2005
Glycerate	2590.709514	1727.381585	1957.872961	2038.051544	2573.512831	2057.530859	2616.466764	1921.813799	2161.830719	2213.240119	2777.971127	2638.625879	2340.056568	1999.766326	2789.960517	2065.381544	2679.487022	3635.479718	3787.274787	3216.253929	3286.313523	3136.289825	2471.065374	1603.790885	1556.72589	1983.523327	1466.850033	2046.934402	1797.323386	2096.640819	3714.980448	2067.954978	1922.098124	1360.354384	1974.331368	1312.607318	1445.322357	1964.192094	1683.466006	1805.732126	2268.074665	1631.618175	2463.207667	1982.727193	1873.258923	1786.405421	2013.776335	1530.784553	2520.542778	2886.502381	2274.494692	1814.281626	3031.674575	2155.606937	2348.81353	2117.531162	2408.470739	2005.422205	2083.905393	2292.163403	1894.976401
Serine	59422.55069	75621.24552	76863.94406	55708.49113	73607.92434	52301.77863	62590.39569	68489.25303	50648.09056	62022.63949	57140.19428	72763.49967	62105.46201	49572.37204	58533.01548	71825.86056	54963.83939	66566.91239	58090.09169	68724.0582	63172.36876	72657.24677	93097.27989	67555.11426	79443.82421	87082.37627	80782.84095	69217.24965	70617.54843	81814.22158	61273.51703	69637.58492	76188.07541	89303.14631	103122.3351	70128.06877	64081.53536	40590.541	49987.84586	66016.88998	72668.98445	77206.94082	133369.1952	84376.15972	84879.39044	72576.45123	64303.40207	22480.80815	62816.38632	36160.34613	74510.98454	50497.00176	52516.69046	69448.36558	77219.81396	18065.79764	65543.71177	76481.53453	58284.11826	55308.45491	51468.15048
Threonine	43681.23521	36595.95621	45496.9235	22756.03778	38514.39018	25465.22816	33255.75589	32910.66031	32734.01239	42486.60152	24440.40173	38296.58788	38069.59108	34853.90347	38433.97824	53797.8621	31343.58443	46079.75325	36395.20845	49361.92606	46969.39044	43895.15109	39733.84293	44781.2067	52476.78953	70849.607	41522.24952	42872.36899	31597.41972	43210.82858	31492.94765	41762.92095	47560.06958	54849.54298	59197.54465	47851.18873	45713.25008	25203.98908	34722.3663	40655.67043	31160.04566	49665.1421	50225.83591	50510.92267	46711.38576	36583.52109	30242.78047	13104.34913	31730.89586	35082.35223	51718.9016	48064.82225	49897.85655	43430.55807	41565.33129	14470.56535	35584.9124	51468.81849	37815.43969	33234.26632	31401.37381
beta-Alanine	1951.622721	1470.123468	1477.72538	641.8026369	1096.362938	625.5160596	1471.634787	1408.226079	2012.582927	3180.421461	3060.34793	1411.293101	2245.610627	2291.561734	1490.201063	3771.971938	1035.366447	2597.324832	944.1912626	1153.741526	3225.826522	2240.48621	827.9868065	3145.614142	2244.860795	2055.698791	1859.537755	2008.747508	2151.550069	1378.700119	1207.210236	2082.419236	1735.196842	1948.303496	1329.253208	1820.02332	1756.691306	1307.982158	1181.248122	1126.842894	3865.835061	1920.299666	3866.77069	2424.678998	2042.060546	2790.604577	2278.34793	1081.228707	2021.523957	1325.439835	1475.050595	4048.172167	3669.613168	2218.487712	1402.856427	1900.623959	2015.235823	2058.597438	1953.244433	1852.526697	2829.404297
3-Aminoisobutyrate	3462.296192	2327.595475	3887.422292	3094.940485	3362.341005	1980.980541	4504.800737	2493.210495	3783.380636	2308.490885	6140.561526	2594.453544	3459.702552	3367.331474	3647.682795	3170.502881	3852.990357	3526.471244	2679.272601	3165.511866	3125.543701	2940.540267	4634.4593	3001.942912	2578.231755	2124.917454	2338.096258	2392.908086	3168.110034	3579.368994	5132.269757	3015.369021	3803.539268	2914.329122	4649.071698	3030.322876	3404.642837	3189.674299	2869.803448	4072.650504	4809.27337	2952.793497	3198.911138	3031.313341	2977.470561	3169.41467	2953.890862	3150.52228	3249.773313	2776.241146	7219.206214	2531.244145	4150.210547	2959.002772	4040.482268	3669.28388	3006.896371	3117.887069	2959.21922	3019.243779	3062.382265
Malate	1235.350849	659.4926538	311.3176681	675.6338926	565.8208036	895.3482021	1161.856402	593.8273471	702.2755492	694.8337848	776.7643494	450.9741664	606.077751	540.6293991	699.1184739	270.9575651	333.9481359	374.7903543	411.9470752	344.7803942	549.4168592	572.659795	295.2072284	596.9157989	726.1105191	453.5627292	663.6455661	1538.367991	651.9138142	409.8199898	966.2144267	585.7715633	955.1111871	483.0845251	677.8926195	498.2714697	579.3769568	469.2714418	1237.483362	676.8058037	1117.202185	1165.962512	1082.173186	385.0263526	601.8523765	398.7371272	625.305885	435.2563973	707.8681822	762.5574736	714.7354495	537.8625534	851.6475701	504.7213297	288.0062515	461.4701432	1286.281213	540.1012621	560.9870468	484.1180071	956.6012374
Erythritol	5687.60216	1960.175882	3196.948412	1991.551267	12468.55413	2544.20455	2631.514392	2686.062424	2298.02667	2260.008908	6413.434382	2703.039032	17276.1016	5241.040633	9735.98626	3175.741783	3535.753362	2112.124826	4838.17046	1574.460327	7745.931824	2635.663669	2905.193796	2265.204947	1775.767206	1686.867798	1428.111827	3258.430508	12394.68357	1984.278257	5222.530573	3066.274713	1839.399098	1396.376486	2726.933676	2314.995887	1460.941953	1627.636258	2610.184989	1777.949071	7144.627887	1979.819275	3563.92161	1538.759394	4512.490029	1876.380723	3734.856694	3165.928256	3181.015402	150866.3153	9339.392088	2657.774648	8027.379863	2575.822704	5080.374535	16352.5896	3910.521773	2577.527965	4484.578038	2674.939136	2978.568238
Aspartate	2136.285628	947.2884579	1137.897884	1308.943146	1228.163455	867.7108097	1084.57201	618.6892284	1441.44186	1252.405787	1577.686167	2273.439352	1563.395285	1419.938207	1262.067232	1180.943563	1217.860125	953.4813357	2001.428712	2308.436063	2083.026862	1061.086235	1443.963476	1326.087976	1733.646673	1043.355375	1083.577895	1225.714742	888.8617134	1277.600814	1749.83443	1145.465841	2181.973521	1283.955877	1123.971179	1711.384105	1496.473699	1116.742375	804.0810058	939.1619892	1201.366619	602.568599	2122.036437	738.2649338	1225.95311	1522.83723	1971.078132	943.8499955	2079.681911	890.3687677	1815.488435	616.8550187	926.7984263	1436.467582	1675.234997	397.7452827	1422.381359	990.8294766	1401.633441	1641.77378	690.7556277
Methionine	16835.04809	12703.76489	14402.18441	9868.711216	11998.48933	11479.25911	9611.708018	12411.23536	10853.28632	18153.90123	11498.6924	12819.81478	12964.41074	13228.66234	13091.56835	15496.82106	8176.976488	15736.49449	14972.62528	18467.02512	16146.85298	13980.68629	10901.89883	19046.13136	16381.39972	21066.51118	15891.93449	15626.24199	10211.29865	14975.03264	11841.55306	13391.03767	19011.80564	23636.88741	20266.62696	15123.66821	13595.06052	9545.472334	11031.11466	16439.10801	12739.79251	16442.59683	19256.1245	17884.72493	18578.05989	13179.54624	12341.74313	5939.90639	13604.13553	12506.90745	17866.56411	19327.01897	16810.85987	17870.30604	12490.94877	4714.388137	14387.58469	15881.74076	13621.36242	12543.67903	10338.1213
Pyroglutamate	11549.54013	10709.85528	12428.40714	7686.551788	13975.91004	8996.269219	9404.958395	10070.91153	9001.280202	9023.790396	8296.310584	9800.199684	8698.035314	8960.179657	8631.267218	11943.9946	7859.93187	10441.47445	10271.98057	12357.71245	10085.95553	11323.7363	10126.45368	10757.09564	10619.36526	12468.84851	10867.09992	10335.01688	10881.29293	11239.08075	9685.115324	11025.59305	10290.75033	11251.23145	13220.93588	9929.758748	10362.74345	8019.734817	10396.69741	8636.429956	10696.08878	10444.72968	14848.35476	13128.16308	12195.31888	12760.94506	11063.35802	6466.40908	9478.453219	12236.45201	12784.382	11079.13998	12361.83419	10020.8247	11137.43006	13280.65174	13567.21111	14429.73717	10162.12566	10698.03322	11568.634
Hydroxyproline	7878.235819	4833.059144	7817.530848	5392.410776	6009.617781	3673.630435	6412.290072	11442.09538	4511.038306	6818.823728	4808.647504	7136.057404	4229.371161	7097.852698	12338.56021	4675.928337	4021.956219	15188.92137	9198.785058	6222.618723	11725.84019	7459.633137	4576.363543	6189.468364	6971.917477	6705.326418	5400.318246	9859.189181	5714.160362	7708.586027	6851.233653	13915.94871	6031.297889	10074.66911	7028.419553	8618.821996	5068.750348	5695.025232	5367.552235	8214.762189	10611.85888	12193.33228	10584.61628	7400.579232	3620.54406	7156.523279	5751.416154	4547.180219	4960.587025	7418.410313	7654.90105	9804.971015	6114.004775	6825.462191	7088.665539	2668.073147	6421.630123	4786.539423	5709.737554	8691.1999	4565.42166
Cysteine	6288.16353	5854.069004	3898.482148	4338.202697	6169.461878	2817.617697	3183.354859	3233.382252	3659.091414	2729.343415	2853.267117	2641.561254	2588.96399	4850.915944	2804.526059	4920.511073	3557.667819	2410.663987	5347.412115	3048.65207	4577.341286	4364.569771	4484.365083	4751.107804	6267.379681	10940.50596	4921.103699	9481.90661	3988.318345	3895.385577	3556.340765	4337.89698	4535.085589	5306.125736	4974.571433	4717.257808	2896.631433	2423.842771	2781.015627	2636.728376	3217.423723	5135.398084	6161.50211	5663.168921	11756.35777	4982.847447	5096.743654	3019.031492	3961.548117	3295.991927	4804.182042	3923.735633	3069.128145	3301.094458	3470.065362	406.1745999	5364.183163	4360.104281	7238.286194	5440.894193	2516.086269
Creatinine	1099.686007	801.6076611	1227.006391	904.1137474	1232.88588	740.4391871	1336.828866	747.790611	866.161287	1079.436958	1112.52741	1114.750483	1058.279478	811.6416449	908.7631691	1225.333643	774.4860295	1679.122841	1863.214158	1087.352694	2487.760073	1533.549979	1237.334206	1602.500567	852.081239	394.6677676	798.5311123	1232.460419	935.3127819	1094.376118	1191.73782	1053.970569	830.6564385	1438.288793	2060.918967	1079.507056	760.5626618	1587.130532	378.5686533	843.2281709	1543.790931	977.1230833	1153.321132	1951.172224	1201.587271	1245.7621	512.6170975	666.9870923	1091.408424	778.6908406	1568.133498	1598.739791	1373.832634	624.9530747	1227.512632	599.4101916	1323.684133	1170.181178	1337.073841	980.4190189	806.7050862
Threonate	4754.04231	2569.279045	4525.34932	2441.085622	2819.495165	2689.123708	3062.948869	4832.446238	2934.163034	4281.964959	3109.998616	3439.286412	4177.609099	3645.909404	3491.395747	5507.242857	6301.461555	14739.95745	4901.588846	8478.000493	6056.17298	8040.571885	7338.504301	6099.589311	3115.205331	1756.11359	2544.639309	2144.429228	3781.952856	2929.967923	4484.33349	3339.242656	2726.63478	1849.840018	3443.189159	1083.632724	818.9506133	1148.975184	3040.325158	1784.725876	2915.190548	1961.676338	1858.485972	2123.064662	1469.952379	1194.711057	2156.026721	1186.112459	2803.865075	3280.442153	3080.918843	2129.073698	4540.585307	3574.052845	2023.435456	3843.551021	3330.714363	3231.696542	1596.632679	2299.096993	2872.531339
Hypotaurine	1323.395949	1084.752028	1032.947906	900.5376751	1237.385459	792.7075182	987.4293856	1289.317043	566.1403778	1713.889909	828.6633188	1538.856911	1602.121819	810.0109045	753.5651276	854.3500265	539.8557698	1074.723561	555.8513646	850.1152375	1057.298825	698.950535	902.8586276	801.9691021	715.0804838	1213.989327	631.7767228	1029.798593	741.8012237	583.0590407	937.1063957	711.9306138	2791.584052	642.0855453	1492.136422	498.2525574	515.9142343	793.5782153	757.1446659	938.9435949	1941.574664	657.9572891	1194.814795	1304.919762	1127.73787	1464.880866	595.3758312	804.1814479	1324.733369	1599.309287	2034.016299	1216.519905	802.4730756	815.4588829	1325.472866	1165.886539	987.8046048	977.2127244	1186.077271	534.0180081	250.0445771
Glutamate	18009.35603	4761.351423	7998.471716	7292.080669	15799.38201	9309.529736	21088.14054	5299.370855	17847.92641	14028.33699	18011.40531	17560.06618	16139.67625	9827.002055	15613.79148	7748.532546	24508.56088	7148.621803	25386.3822	13037.33886	17446.01411	6850.869629	11435.29279	5441.979163	14494.78949	4083.73538	12643.49247	5433.799068	6706.118772	8230.913127	20895.18659	3561.429289	10249.76827	7308.539194	7437.726324	17914.99914	15529.98769	13248.11089	9718.670622	4434.280069	6844.687174	2691.363922	28945.03381	4163.843897	17779.39891	13840.22215	27157.20096	8353.726009	24100.53804	13721.27143	15878.26586	6391.196525	13716.57262	12731.1431	17264.12986	1530.925579	16834.82255	5194.298586	18555.46374	35087.6517	7995.197764
Phenylalanine	63482.03977	50320.78793	58755.56492	46037.23067	49786.41174	41040.88099	46918.38353	45485.45452	55993.09423	59641.34563	62284.39895	46530.42163	47425.05173	44775.47299	43573.07802	47605.26422	42006.32355	44517.96639	57066.69648	60376.9363	58418.27115	53290.62712	50224.92013	67450.78218	53107.49037	53837.51545	45640.99851	45282.71826	55119.56867	44800.68906	48050.50996	54974.41037	60376.52149	68866.11627	61222.51407	53642.8233	50311.88778	40328.47507	44869.9577	48620.81265	42203.65086	50037.5413	53196.04524	74403.85127	78563.06938	49143.01872	50749.46538	29218.01317	56111.73625	45851.90687	59432.3788	60654.37175	64953.69903	62932.05641	54073.20713	15778.01934	56695.43691	49932.49911	60476.9632	48394.06001	52702.02042
Laureate	9116.77484	8626.071671	5822.387171	4931.48102	9063.465022	4657.232334	4888.589924	7814.46909	5515.314493	4963.348632	4092.633935	4098.911588	5233.56988	7935.394726	7048.807938	9907.939855	4872.939169	5850.672713	10622.98649	5252.092324	4895.384533	9635.152048	12081.12686	7041.447956	5331.141161	10292.02205	5676.737043	14203.62747	12485.57686	7472.403917	5551.795188	6385.286588	4446.935756	6294.390638	7727.732033	7416.501564	3971.064406	4120.091528	7937.144123	5814.596774	3858.909036	9523.35433	6706.376645	5752.956126	9621.643869	9667.951517	5565.955877	4698.755992	4082.789957	4997.562717	5027.196327	6035.5195	6920.652617	5121.992042	5764.376962	12985.02285	11555.11921	15943.20612	8627.502081	12362.86142	6037.220909
Asparagine	6081.009398	4938.689574	5180.881765	3125.59225	4366.841284	3592.014227	2136.97238	3166.001092	3165.515546	5458.072061	2933.688496	3120.267326	2804.022571	2858.947603	2572.148551	3666.418498	2360.295887	3671.4973	2665.340856	3985.709371	3596.098968	4261.013055	4446.587361	4914.758895	4806.267535	7607.071771	4590.939445	5387.529271	4202.821316	4603.589025	5456.009012	3213.994518	4410.976088	5593.460504	5522.953326	4012.092905	3103.370227	1842.064166	3319.035903	3567.861708	4921.597185	4387.50672	5696.77526	5653.723539	5691.151068	3397.97259	2946.543323	2113.225446	3663.249369	4114.654609	5762.401339	5288.096712	4585.273652	7128.477326	3897.11478	1217.451013	4962.158668	4941.093704	3782.21757	3621.012626	3038.485855
Arabinose	768.741924	459.2255733	474.6066494	258.9234321	438.6522252	83.18303918	543.5181423	238.1947922	446.9735199	511.3301334	982.2935064	534.9000415	667.2334211	510.0716959	957.7132045	858.2480634	770.932021	394.7784188	1168.767872	742.1921127	1049.821126	388.3476368	348.0866465	215.1037913	214.9583031	191.6175405	457.5674365	303.4751727	294.8876744	116.8756129	749.9856302	285.3247848	429.0163326	322.5512861	479.347691	498.4606954	224.3663877	330.5247783	326.3512717	1004.104723	748.279101	217.9895947	746.5068133	510.7748549	491.7500294	402.4716815	521.3207478	389.5413296	439.4935012	276.660564	1668.36512	95.67748509	807.2577302	682.5935149	436.6682307	414.7778797	414.0756608	432.935413	589.9539402	116.0097704	593.5699547
Xylulose	834.5571597	594.976248	696.3353888	495.3650808	488.4568133	414.7586668	1058.894402	444.7215646	1207.876494	1073.135987	520.5977914	1363.573225	1717.401202	647.3059403	1282.8631	902.2379896	1144.701946	680.4300741	966.0409022	799.0009028	1009.106922	877.9602119	1502.556349	678.7820296	890.5038512	549.9075213	1144.584188	1128.899761	618.8351365	697.2606613	764.9143432	877.004023	1083.293298	875.1266497	974.6216271	894.255597	1100.67548	583.3549651	1133.647093	486.5543223	750.2134241	650.7391868	721.5401439	492.9722704	1096.744721	603.5518892	1417.123136	924.6110245	929.7956223	861.3556113	742.7840347	1063.736536	1410.316805	1463.807505	833.4240169	655.0643645	1304.139661	1895.089976	1894.020891	2032.840238	1314.891408
Glutamine	52654.08358	53982.15158	76984.72132	46547.09027	64126.75979	50292.87826	56731.87016	73628.23199	46927.06426	62241.56713	39927.25403	61770.18162	53547.69363	65760.21512	46983.85145	61994.74505	49872.42088	58554.59748	57414.91318	76470.21762	59830.2457	65559.23359	61799.34624	68052.39855	66101.19783	74027.81852	67208.19187	61307.98074	68664.79203	74852.48856	56346.67573	62091.82125	67700.26372	73737.51796	87295.18341	48851.25754	53625.10278	43665.53862	52765.8495	47857.59474	60160.93915	64352.83836	95780.21201	78848.88087	72580.97349	68185.48463	53501.37753	36141.23737	50265.36502	61035.39824	69002.41278	72871.1528	69777.81105	71372.70296	64875.07001	64804.47509	75302.77336	80889.76075	46064.58077	62953.56892	64073.01229
Ornithine	25636.13172	21377.52749	32606.71858	20214.65043	30783.28154	21043.63052	25064.47268	26071.7336	31557.50286	29047.85556	30230.25885	32302.44421	40261.03143	37057.33718	37451.49307	48468.89307	39428.23325	43595.90183	44353.97459	39556.97112	59383.74738	29136.62228	39407.27725	25964.18942	27086.22199	32120.11907	45077.45126	29517.94633	26283.70828	35559.21856	39459.75166	27004.53777	43798.17383	39907.4721	40659.04404	34835.8764	30893.59462	23615.08711	50358.80644	24932.73964	35587.95847	32357.0881	39016.81103	36200.7215	42174.56301	34101.15823	38919.49991	22581.22942	39890.52682	36169.9904	43070.38437	37760.44702	29101.60691	37538.7641	50904.35481	25234.84622	39983.4851	32773.67231	23379.50978	33116.70335	50801.63333
Arginine	1408.880158	1278.455161	1642.927409	1381.852454	1422.920673	1618.920174	2131.678398	1887.741022	1379.465043	1420.222576	1069.588401	1326.836241	1335.710548	1518.362389	1638.408384	1685.588227	1221.748361	1244.56632	2398.85229	1908.871606	2930.407053	2075.626737	2337.262039	1950.64327	1861.581461	1788.468967	2235.076302	1812.638147	1291.843956	2055.392696	2322.669088	1324.850996	3049.054115	1953.274023	2518.3226	2866.014989	1399.38	1025.342667	1632.313734	1407.68501	2085.882662	1710.13184	1720.138838	1687.987099	1314.858582	1304.209726	1936.544682	962.7260624	1522.318953	1590.636749	3014.361847	2321.256273	1308.422717	1580.092515	1256.364671	633.0631143	2495.641201	2588.984001	1079.723112	1477.85394	1665.066389
Citrate	10411.75034	9709.429118	7842.589387	6238.796213	10285.52942	6884.287734	16008.07252	13593.5994	11356.85707	8492.67289	9965.617046	8936.252078	8148.579429	6650.396539	7896.42842	6985.396308	14810.61927	9233.127457	13075.46788	8395.815856	7999.703892	8353.92695	11230.02584	5893.65525	9003.324412	11300.88605	10026.2075	12035.35891	14173.18087	7860.47779	10893.02849	8901.501352	9402.472977	8002.687099	9696.289671	6113.026026	8208.738951	5990.658104	12019.00113	7122.09582	10808.45323	13115.43816	13188.64279	10431.96725	13515.72413	11001.73368	14335.77003	10017.10835	10679.81845	7173.556798	11444.60544	9003.544796	15576.50316	7947.671628	12229.14041	13278.51239	16043.26677	13289.55515	7394.758655	9140.303017	12666.29641
Hippurate	0	0	2821.201249	1073.668905	541.607718	619.523565	3651.897417	2983.918182	408.4045086	0	755.8647309	377.3158268	2976.750415	161.4495195	1937.512706	2338.469807	1358.834333	1816.491057	728.3106717	821.4251795	125.1566437	323.3572247	214.2168605	340.2754617	1744.840745	0	552.0793225	0	1990.44367	0	0	1580.095252	612.7879182	0	843.805253	524.7399333	0	0	350.9532581	812.9997342	498.7013827	282.1236001	260.2280811	163.0516104	494.7997931	654.4818805	2507.79503	0	254.2347765	1144.468811	771.5372125	342.7172665	1193.093786	196.7415898	1359.310407	813.9210577	1019.158198	323.7165306	241.12335	3928.385971	0
Myristate	4644.736013	5265.273141	4291.432018	4860.614816	6025.494687	5099.586057	4861.716076	7485.299612	5723.04972	4396.791818	3220.27442	4097.085475	3747.88288	3938.78588	5353.424455	3783.092062	4460.360872	2928.934466	5890.945439	4604.362468	3781.34402	4232.019536	7657.986692	3340.587946	3415.782239	3763.716413	3812.640858	4059.578727	5558.918515	5217.545006	5460.887449	4545.320831	8914.216976	2872.367596	8303.745891	6882.566621	8040.936404	5949.644773	6392.453891	6635.600096	3599.788717	7287.961761	4357.290656	6666.07634	5831.293748	4118.470334	4681.176802	2667.940147	3835.40871	4594.463677	5839.264446	3311.739292	5084.932611	5445.249321	5088.847751	7294.943798	7046.768207	5825.999118	3887.2567	4098.291154	5566.932543
1,5-Anhydroglucitol	3327.705013	84646.84838	42091.99331	70983.44499	13167.15806	71367.72542	53322.01522	46457.42962	1030.083163	30987.20976	1366.574983	47985.1288	17150.06111	84648.72753	11889.11959	76134.06787	4011.07429	56598.03636	2804.03783	52211.80855	11696.08181	87619.45126	26584.1804	73924.55861	33607.84433	58780.04383	16220.23918	101213.7829	7922.712237	21889.58598	4361.885298	75060.04603	11871.88315	86133.29593	13253.63581	77207.26239	1485.930721	84214.07851	10562.16774	115496.8453	889.5783798	40677.6118	3820.595523	68229.81791	55929.15813	41762.80759	4195.89288	63286.98195	1429.581038	61684.28896	23742.9413	89593.70524	23685.97086	36735.76481	3998.801794	104808.7031	5389.342058	73514.49424	2360.829975	77569.54442	19126.74366
Quinate	0	2383.501245	882.7969986	307.9212812	590.7486124	565.157934	8452.491547	3329.504613	608.9919964	0	75.19546919	541.3321547	930.3527968	532.0522108	1228.396744	1681.305541	2199.699163	198.0537331	1820.022446	3249.254725	157.2362155	1284.808563	0	538.7403346	1047.408356	179.394687	142.3017911	4481.39098	517.1752071	0	216.0277192	961.3177084	3809.11643	0	458.7099048	4300.255277	76.66410316	21.58731195	143.2833564	1805.015569	1677.71324	2723.678262	173.2872476	3147.020107	48.18898189	192.0120451	130.6821031	260.7508212	522.3705238	897.7963703	5323.507169	316.2458138	6154.76461	330.9455976	2020.434862	544.8059142	2877.654063	0	441.9669923	1938.39671	225.256115
Fructose	1666.282927	1575.182589	3073.347748	1488.02669	1327.344634	1367.71783	1762.002246	2198.961581	4098.524132	2462.846413	5590.530279	1115.167731	1832.28533	1632.437288	1662.835036	1214.491696	2224.840343	1257.094655	1652.253877	1945.514452	2017.801455	2729.176991	2110.771777	1136.459453	1755.879258	1977.438525	1160.539628	1193.42748	795.0437615	487.9636778	2533.940017	2210.844411	2724.520934	1311.357036	1904.29438	918.9161516	3535.684706	1588.784438	1644.323145	975.6186588	3886.679998	1073.710583	3601.313562	400.0519861	1626.577735	1119.697398	1983.157519	1304.108107	4708.828806	7129.038528	4223.842194	1269.711939	1123.28645	1889.228117	2211.999467	1604.331672	1511.257567	1574.138782	3166.702505	1206.532145	2670.503505
Mannose	36185.03755	28973.63967	41748.82145	30787.4168	40748.20569	21112.74716	59718.68659	35475.58447	67096.38672	31711.93736	94038.27399	27375.96918	39150.27248	26938.58767	40540.25227	38600.79282	59011.58199	26870.96506	59711.6502	34940.22045	33241.32501	24546.2521	51421.1257	22720.42045	50318.55671	21747.84708	42648.7551	21843.0561	38062.61135	19903.8757	65128.18013	29470.37071	43522.38265	23107.78242	56304.1763	34719.36252	104394.9264	36199.51469	27851.52981	24690.25648	126047.6573	34059.93679	87902.21166	31547.0663	52489.38996	38937.84868	63323.13527	30341.92091	92806.2995	23413.74196	61548.65907	22188.15692	47856.80755	36471.54542	50094.72513	31184.79014	74431.86923	34855.81536	54511.26796	31542.22601	41222.77633
Glucose	5252948.952	3552836.549	5269374.165	4137196.812	4221201.179	3590277.609	6698816.782	5039498.619	5607799.231	4563454.391	8419717.957	4241066.897	5200328.915	3656261.797	5734872.242	4149219.675	6238181.667	4088669.048	7857199.607	4179789.769	4300316.714	4563187.583	5676293.392	3704090.428	5896176.937	4102731.548	4868596.138	4544198.641	3303735.327	4013778.918	6736905.214	3899320.57	6961745.277	3738722.166	8104156.53	4269420.595	8044595.565	3893324.737	4854514.698	3531505.77	8434992.173	4599769.282	7877344.544	4721462.272	5841048.923	4750765.243	7617550.033	4200531.4	8449847.847	4318584.827	6719016.223	4196041.777	4665172.698	5865293.381	5994716.497	3908016.887	8003997.4	3990611.484	5280749.638	3528168.856	5200718.202
Indole-3-acetaldehyde	35198.56724	23966.79259	32804.14473	25302.28305	27202.08191	23000.65512	44012.65098	32352.44915	34520.35326	28587.6938	60767.28727	25612.51884	33328.47113	24886.36224	40072.62476	28360.36307	42178.10586	26702.47063	55144.36861	31071.73079	29366.34143	29335.81784	34031.29653	26571.21543	41238.68268	27078.90416	31914.40136	30387.50421	22702.86571	25954.29109	43118.47985	28154.91276	46614.77819	26390.37621	47643.29063	27534.5457	55798.75725	26541.21871	27397.54244	24167.87497	68328.00394	28177.05978	51892.32193	29801.30796	38284.16608	32292.29289	50162.70071	24296.73438	67515.84213	28264.24171	39913.32613	27353.99683	32363.30028	38108.0997	40791.52329	29166.63557	56535.9403	27219.78622	33237.64292	22853.16227	33031.55263
Allose	11495.71081	10185.62246	13954.86205	9558.200397	13780.86248	8784.138366	17574.75675	13411.26972	20205.02139	9573.930998	26302.91063	0	14622.97346	11219.06186	13700.12264	13080.71456	19164.74513	9786.314146	21061.23698	10948.2859	15125.40084	10277.62121	13493.55062	9918.183835	18073.50546	10265.98324	15107.04909	10726.66568	12399.59204	9259.400925	19697.88738	9330.078807	15925.86922	10648.9378	19789.69481	11044.31689	32364.6111	11198.70272	11141.3013	10252.94255	33334.77673	11763.49018	26041.13593	12230.46855	15542.94913	14442.86281	19846.8168	11408.95335	28369.94761	10301.21167	19287.80781	9030.79227	14433.75445	13627.72695	16352.87494	9953.466324	20666.9846	10076.33922	14677.98711	12837.92883	14543.41138
Lysine	30845.89427	18122.33068	31069.99959	17175.07041	30545.8497	20869.79214	14135.85488	26877.91601	27046.64874	31500.04883	29323.63655	25910.4853	34430.2957	22212.78306	28339.22302	29596.15071	33927.24673	34246.46019	42757.18107	33052.12691	45697.07736	29086.11609	29693.72994	24651.98014	29285.75316	23255.67209	28640.55079	25284.35031	23338.24552	28912.39839	35441.3762	24274.52463	31878.40789	29603.92382	39235.66947	27439.04768	37676.80476	21618.16862	32080.88118	22697.09924	29605.03555	22324.43163	32815.62446	31377.00384	30930.04487	30949.69894	31795.73254	13899.72735	37331.78678	34725.15342	39469.12233	32718.32737	32060.83616	39030.15557	33810.20605	25951.26268	30477.82725	26537.90734	28803.59486	29809.88695	32852.14518
Histidine	86035.21856	61748.1862	74433.54833	59164.65725	54495.17742	60043.00087	58783.15573	71562.81228	48970.87439	76375.28538	53524.13708	60779.16089	59986.46587	64225.38751	50088.20808	60404.11399	60187.98401	75473.7434	74257.56837	78070.94256	76906.68937	77798.44421	58741.07995	80507.99216	69091.90879	59478.53424	64777.62008	66410.10879	69104.2045	76083.73824	68465.72933	64794.84055	77253.20752	80568.0223	87201.75629	74935.26061	51939.06579	52956.7143	60791.76405	67658.03137	54623.86341	72792.77122	56636.16367	82956.25976	68882.18202	59205.75124	57629.45867	34602.8203	67170.99508	72759.1965	70225.91906	83553.67178	85549.75536	86189.08876	60483.6268	57552.86243	73193.45538	80579.00487	53444.94059	64154.28282	64510.89205
Pentadecanoate	1662.224988	2290.161945	2079.478326	1569.227022	2623.245166	2201.18575	1892.662765	2529.391131	2216.459401	1245.398971	1617.456042	2452.389719	2544.534945	1057.939443	1626.580424	1681.616893	1734.637357	942.552404	1709.602246	1854.854372	1503.076384	1556.475647	2484.15826	1207.344601	1646.007995	1786.419273	2125.245237	2350.869955	2321.305211	2999.258811	3859.677553	2753.023518	1851.271158	1670.131987	3372.062205	1964.639952	2808.772059	1427.453239	2123.492217	1073.701938	1393.750505	2136.509629	1990.046174	1359.83989	2945.766052	2422.958636	3180.070567	1203.841228	3044.587864	1312.978177	1931.736296	971.0417506	2292.336739	2858.076713	2495.787673	2720.39711	1456.447957	1373.364707	1721.684673	1546.298237	1609.651559
Galactose	850115.8777	590224.4881	895351.2935	673012.6239	718678.3444	568165.4515	1116002.359	799894.9359	1014224.591	756033.9596	1780201.187	671407.6868	866072.99	582569.8716	939903.5173	634825.5461	1103596.425	707361.4141	1466677.683	721709.524	710119.6534	727703.9589	935479.4731	596752.7181	1000893.592	650859.4596	800508.8944	744004.5217	511166.5311	608420.0851	1065385.289	604565.9701	1162823.67	624810.1598	1381507.803	677458.6637	1526450.016	653966.3845	804027.4678	606753.6089	1848247.287	791436.7018	1611195.375	800508.1925	946002.2753	768683.3151	1319406.132	662834.4604	2044437.425	679520.2433	1113968.07	682661.7236	729241.0996	906856.0899	986608.055	689276.9646	1472041.453	669331.0323	835856.539	591082.3313	881371.4657
Tyrosine	145239.3309	95727.28766	164289.5275	94827.49825	123924.157	129115.2182	109327.6465	117016.4296	122232.2097	181843.2793	130350.7834	110567.2299	107413.4508	131715.6569	118967.4266	132745.3571	111762.2312	159515.0628	139891.4237	165989.1783	159466.7803	147490.2429	124392.0572	150403.4003	126700.5041	132308.5109	145664.3667	127807.5232	112997.0051	123024.1937	107141.6584	118124.255	127779.0982	151703.8929	145279.6568	136319.5165	173679.5749	101117.1014	125112.1729	121917.7173	91448.03681	137997.704	162670.5627	182488.5616	186774.5136	123922.0917	146512.6232	93509.7923	168470.0795	142509.9754	117752.423	178507.6533	134397.9467	159332.5129	109251.7993	111130.4214	132633.4573	137371.3728	137519.9234	143220.9703	187237.5722
Mannitol	9349.380385	1987.545462	2652.41723	791.6587161	5807.082652	835.0183031	3924.607125	1141.214424	2729.266904	482.4507929	3587.400693	771.5662682	2445.225562	1091.609361	4039.978905	779.0896663	2194.173493	545.4140941	2998.648986	393.2072244	39447.52754	1335.538853	1675.608733	970.976178	1545.559285	731.4867331	1610.957141	12169.13928	807.5355365	2811.00217	3615.589521	7187.435585	1801.622728	1490.964171	3715.001805	738.685553	1495.374464	1791.065207	3815.543305	848.2269729	4495.653168	1227.998397	1754.83821	912.7568512	1397.647393	1224.722624	3189.366758	2192.722294	1140.90648	542.1794062	6617.766313	348.2641614	4384.120737	5620.561961	3789.027944	1008.685092	6015.467224	2767.668268	2838.284673	1208.327148	932.4563722
Glucuronate	2505.853728	1243.176929	1668.404547	1353.858521	3573.271186	2183.074852	1198.462734	1237.39568	1758.911081	1075.127002	2072.257949	2144.286031	1348.422285	1246.057686	844.3553139	2019.769186	986.4409945	1130.684998	2003.962206	573.9390058	2528.269016	761.7621104	621.4339516	335.0653602	928.7156386	3657.4393	2043.74904	2887.437451	2125.162705	3211.607269	2981.503949	2316.165182	1402.30366	2442.247789	4927.316853	2044.064253	917.6467942	3026.932105	6204.451426	3016.236375	2871.670274	2557.098142	1254.226969	2107.527227	2467.817409	1990.468078	3614.92953	3420.437424	1270.089818	1968.841615	1851.24363	1757.043907	2779.453541	2003.046274	1482.996683	2539.159828	2827.89619	3076.61293	2831.389147	717.3842338	990.2507504
Paraxanthine	1318.202288	1560.295755	1299.629478	2396.205428	813.335029	1310.806956	7670.874849	3107.251697	426.6373216	188.4886356	784.2263376	40.21751904	1223.994805	599.5546241	1406.456136	795.6987044	1219.331851	4730.69546	267.9196998	4563.969315	447.2367132	4287.948113	850.9979837	4951.764212	1937.030064	888.415605	337.5926369	3020.103728	1773.802277	225.8381295	1004.264923	1581.451878	3065.187682	774.7161953	1931.600179	5346.594095	1397.019827	526.7831539	1742.989686	5446.642422	2039.824523	3393.39355	1405.780208	3142.446207	340.3553984	1212.91749	1525.183888	211.2133427	514.7268041	3001.128903	1396.635343	2320.162434	5225.228184	1270.940495	461.8391372	2018.573383	1321.249117	759.1771989	1409.591503	4628.058352	954.5099535
Palmitoleate	1452.026712	1922.175318	1579.035505	1487.449912	818.63311	1635.389622	2115.702049	2277.373513	5012.380958	3101.783469	1570.308272	1920.96462	1198.886116	906.9552814	3686.741396	577.8977763	3630.005764	614.5863743	1858.70631	1564.430348	705.0534963	412.4442711	3716.024502	768.9163537	845.2384665	767.8695674	1853.918807	1104.518267	1235.277954	1474.048538	1246.684698	1501.576345	1160.622392	330.8064772	3224.849334	1697.419585	5771.69861	1082.719689	2392.292475	2032.509211	1940.71978	4069.913748	1883.229589	3087.577664	2677.188744	1624.464798	3584.254426	1386.647249	1817.13861	571.3211456	1452.94726	483.5752589	1474.055201	2117.94008	1933.561883	2974.447753	2211.454934	3471.837434	1327.560312	840.2514447	3863.605173
Gluconate	1641.503926	1020.597353	1735.883055	1102.738982	1536.521132	618.7682523	1763.540249	1137.65538	1329.507487	735.8896188	2847.390501	1010.253699	1320.867046	834.7703196	1348.420539	676.139355	2531.623288	841.1102896	3559.209545	816.1328346	3039.13586	911.5227449	1405.66115	998.3988174	1126.789579	1049.543149	1454.703382	777.6095904	1590.694141	779.015917	1917.08374	721.6494185	1441.945714	661.5859606	2587.530979	808.441366	1819.793634	925.5661656	1275.113854	419.5239889	8253.937055	801.4309453	2109.234455	1059.318076	2135.385862	1047.325005	2480.046964	1358.809443	2104.28573	683.569242	5093.142524	656.1126669	1351.451451	1012.612668	1409.018762	690.2704203	2373.424342	822.8103002	798.590649	1160.190354	1385.795533
Palmitate	155045.5164	146279.2843	154463.8409	135521.4058	132156.7219	129258.8064	152245.1372	169399.9965	152775.8341	138986.4345	157005.4593	146866.579	168650.2504	117798.0909	197535.1735	152908.1729	138147.3867	122525.9756	159937.5917	123636.1017	104997.6159	116394.184	143746.2662	145648.9178	125588.3796	117170.6842	114651.2444	141344.1795	126414.2476	122456.2077	164769.4012	145240.2558	148408.2171	113010.7885	178163.103	151446.1705	169394.1723	143730.8826	165543.4112	154483.153	163872.7087	172781.5438	184787.9094	186914.8184	185199.8256	156866.2505	173261.7392	141556.662	157923.543	121689.2605	160599.3764	165327.6423	172353.4748	169848.983	170876.3784	166691.473	156019.3577	158553.436	158851.6006	140495.0908	172037.6908
Spermidine	474.2012695	694.5529453	887.6333022	375.1761292	429.3804428	350.9106533	559.0317375	469.4153785	917.4505454	1244.001831	1249.067651	351.449296	530.8630305	325.7583548	465.1397711	497.7436966	715.8211445	454.9246381	728.1695838	684.2995286	432.869668	325.3711319	366.1302431	269.8972045	938.8522109	428.7249062	564.9426697	655.3055901	547.461043	620.9404078	477.8419144	732.551161	328.936341	303.742207	645.4818684	479.3507026	574.0129576	325.7744673	639.6386337	412.5027839	778.5905124	668.534088	860.5806163	290.3476832	456.7183002	380.7578303	926.5549647	615.2130094	921.2186434	400.9084413	640.7963201	368.6554222	325.2829375	422.1950816	745.7561421	340.3791324	557.0288224	338.7058926	731.5191725	460.7670606	736.1673884
Urate	202681.7153	116531.2001	132555.4291	105992.4011	163332.6186	146233.9366	234071.6852	117034.4885	140356.1596	133447.4933	152554.5028	100548.4158	150985.1103	153296.2945	160535.8954	227581.6297	110970.7326	221059.4496	242623.2219	148566.4427	136208.3054	187571.3321	157572.4975	187817.5486	162527.0471	98854.15731	167648.4519	180323.0874	159866.8351	102890.4736	194961.0703	231965.0438	119995.6134	162983.7651	115072.7603	210335.4486	126708.5473	162234.2685	95598.21193	139870.0776	163644.038	103968.052	176685.4617	144834.5131	246924.3549	179851.966	227316.392	130565.2726	145116.9749	205703.5966	184891.6261	221649.5886	201580.7994	159918.0501	91506.7091	175486.7079	215734.1007	180254.6811	209108.0921	228181.7339	174677.9083
N-Acetylglucosamine	704.3403745	275.9525771	544.0877582	461.2318054	552.2725239	375.3366596	706.7899128	679.9325958	692.9629707	810.4616956	1261.767896	825.0110824	636.8847289	394.081093	323.9099115	514.6570794	755.7488513	552.6667281	1212.896558	478.7404986	1142.061811	1021.256825	769.3934192	601.4388459	413.8022507	858.9760959	575.0653795	456.9316379	803.1473765	959.644073	831.3603316	806.7754093	661.2815132	369.4854367	536.768935	392.9711752	441.0912074	674.1339059	486.5898058	519.5661521	1098.977432	616.3690311	927.5770548	565.7982593	731.8611397	602.5826163	1117.356038	213.972068	533.9462032	776.7814873	1692.866974	446.8187327	1096.584633	547.9412125	648.043772	302.4461708	1268.986381	927.4088171	839.4053032	618.1532538	651.4908972
Inositol	31661.449	17452.84041	28383.32419	17676.31233	24557.61637	22373.96174	31330.21676	28797.50531	30690.71802	22470.51174	39483.03684	27060.37906	32369.15414	26356.50268	23937.07997	29036.99317	33526.61143	23024.57283	52953.075	22329.75833	44348.68741	31730.10603	28995.82777	21067.44931	19736.49736	25320.55677	27091.17206	24232.87641	30428.23722	27116.47005	30253.985	31404.56021	24263.65355	21635.86104	29951.9849	26373.29855	18220.68271	21732.96681	22047.6569	18861.8785	62846.96551	21006.39407	31830.81209	33574.45403	31062.8146	29709.16529	44701.57512	21189.05398	24581.07301	29666.18254	60115.16954	23003.48451	37081.90792	26286.20512	26905.56144	24479.37327	43793.18243	23575.74686	25803.77427	32989.32771	26880.41941
Heptadecanoate	2009.609038	2919.772358	3059.609714	2217.493805	3220.062728	3109.808101	2341.673877	3142.099427	2368.690549	2660.302447	2418.886801	3049.387064	2617.030896	1406.08722	3576.763019	2846.579224	3069.94679	2241.275588	2345.045818	2246.575645	2629.202355	2307.664537	2093.285634	1838.399399	2731.279396	2101.778753	1717.451104	0	2910.386087	2313.847862	4137.798247	1987.435966	3413.35857	2044.633472	3056.439351	2579.938958	3077.939066	2402.948563	2670.388732	2742.604769	2740.762734	2737.486708	2737.036025	2991.364818	3994.456901	3093.566904	3192.303345	2465.558393	2955.264375	1906.505708	2266.757034	2760.00889	2878.797639	2845.609938	2722.207819	2580.858195	3710.702399	2437.665364	3053.01603	3121.838625	2726.981939
Linoleate	7396.982442	7273.62451	6344.013497	6558.73513	5168.700779	7006.455083	7872.756051	11322.98878	8005.811295	7918.212285	7933.256179	7883.39318	9419.272912	8610.794989	10397.57692	8016.969268	7739.047003	4178.309645	4983.001904	4717.771076	4580.210765	4650.763078	6635.671875	6801.347645	4988.013437	5447.171457	3903.667812	5758.532992	7562.907041	6456.066743	8798.921098	7633.330011	4876.444431	4718.579799	10038.74294	8904.837645	7342.939678	5208.769378	7554.718499	6424.963575	7518.896115	8872.742057	6758.272541	8831.516055	8208.705063	8359.596068	8989.109573	7103.208423	6580.847361	4382.545245	6547.649535	5636.441038	8977.252954	7705.502369	5843.5861	8418.547813	7748.23375	10394.93305	4238.499562	4502.853462	6816.186501
Oleate	15088.36584	16218.13175	12008.47326	12690.5939	13061.53238	14439.26726	25801.39475	30956.91651	25202.21893	23432.07421	16654.00718	19176.93702	24961.89699	13230.87746	33330.6433	18303.82021	26031.3189	7333.664258	15662.28395	11295.00419	8618.968725	6391.463541	19101.60524	10518.26164	8858.691229	7486.095442	11985.28916	8578.194564	11307.81432	10615.14897	17036.60478	9210.886038	12948.63999	6012.49317	27396.42846	20549.57756	29194.0387	12318.43049	14995.34328	14139.88209	20904.4554	27172.54939	18396.94477	18630.19517	23264.35611	21654.93776	26121.5934	16018.83199	21294.36356	8883.202211	22018.1817	9401.086384	19825.42413	15007.90429	18509.0272	22961.99216	23348.76045	19138.9903	11649.88579	11146.60814	16811.66996
Elaidiate	1474.276169	2370.552976	1678.662231	1712.359844	1685.736562	2214.074058	3253.481449	4381.078313	3298.898311	3334.279623	2721.380799	1866.709064	2795.91167	1105.067726	4064.37681	2522.744081	4240.442465	1616.030335	2953.368305	1663.1562	1467.597918	1693.094004	2539.812223	1672.755573	1955.548661	1219.597648	1569.18788	1994.653828	1734.511042	1422.534924	2499.521909	1500.23035	2120.871915	1069.160055	4326.948334	3023.185526	4036.220365	1635.619344	3409.881289	2709.784106	3051.19018	3236.441243	2108.35748	2444.979827	4412.59687	2796.380741	3299.324546	2378.346814	2299.125324	1369.978289	2168.432253	1124.48098	3076.199492	2207.825112	2869.487027	4278.934072	3165.38311	1856.762618	1939.944412	1346.862491	3574.610715
Stearate	76551.4342	81252.57439	89286.08654	76783.92833	68649.47872	72616.62099	82560.54632	88747.77747	70209.87215	91180.31732	94047.03496	87680.11425	89723.80569	71553.38076	129641.0913	99017.40801	64581.8617	76779.26111	85385.38464	64328.74093	57856.74037	63349.2899	72039.92474	79537.08405	73505.01265	63963.1366	57030.80568	86526.21684	68353.72421	71188.80274	92914.63201	76992.74518	77297.76517	67660.90265	91154.07434	74156.51361	75226.34227	91920.48928	87917.75582	80320.90048	74257.48426	80508.33368	108110.0996	107156.9112	99421.14909	78966.80654	90291.85233	75250.60419	84727.34205	70079.11886	83670.60891	101710.8962	108204.1077	88135.86022	85062.96476	79502.29616	65966.24839	73064.57948	89601.41629	73195.68146	82782.52164
Tryptophan	178371.5378	186230.425	249847.674	158919.7334	176763.7247	183653.2662	167313.8033	149083.6766	174455.0628	214940.1262	180006.8222	172138.948	164866.0633	187786.1701	163124.0644	196307.0489	172251.3156	245403.2909	170061.4249	197396.3859	169519.9573	214426.7358	178463.7058	231107.9207	136786.2753	218632.6245	128444.182	276209.272	158915.2801	166942.0816	162212.9864	226547.3473	200600.9327	195911.1365	184979.9369	196844.46	165262.4398	150327.0495	166796.5848	264978.0979	102714.6657	161147.508	171615.1274	261875.3204	239188.289	186428.8873	156055.1043	184691.7071	240271.2981	186303.5238	163626.0708	246312.0653	189748.0539	206524.0916	159843.5143	152536.5204	178911.2351	196685.9165	207140.8057	183757.8334	211256.9622
Cystine	2808.526715	1249.030416	2126.490927	1118.45353	2476.028771	1539.724252	2558.864012	1789.013582	2665.703096	1874.341429	1938.000336	1664.534631	2026.484068	1901.977185	3099.137933	1919.518932	2596.10147	1669.801082	3118.401694	1995.567412	3324.045894	2306.390385	2692.498928	1263.422605	1340.684745	1410.170859	1728.878029	1618.201254	2636.840939	1219.19068	2621.18706	1447.084014	2112.168752	1911.837647	3341.04194	1887.191714	2145.604964	1212.65366	1976.152169	1607.943933	2538.205551	2173.067756	2764.701048	2136.785737	4129.327792	2728.652953	4186.00528	1591.995936	2608.431919	2594.941298	4999.083444	1714.307447	2792.819912	3079.243476	3312.028156	1339.284712	4348.196645	2245.506163	3037.803019	2755.850917	2742.349728
Uridine	2224.507075	1721.404947	2039.980538	1417.645006	1994.915823	2339.529673	1508.94259	2639.555624	1198.97535	2016.075514	1724.063831	1868.64296	1844.558012	1970.777366	2073.381031	2388.341591	1456.095257	1465.245071	2291.172081	1653.027043	1290.336422	2394.213331	1753.539327	1557.793963	1267.24738	992.3475065	1277.072523	2561.965389	1823.056555	1379.779114	1366.845861	1478.46804	1241.199259	1166.844729	2679.811443	2188.559994	1358.375498	1182.306946	989.2426298	2323.988916	3406.387694	3086.781816	1585.313588	2229.253741	2676.676554	2111.876077	2023.487187	1514.131959	2076.707308	1327.825035	1458.638031	1995.682571	1698.641574	2239.132103	1777.364882	2729.778799	1817.608067	2295.077352	2246.434627	2264.995696	2111.455608
alpha-Tocopherol	21266.91664	13907.06952	23857.03126	15396.9543	13231.68689	15643.8524	13002.27416	26382.36253	16407.89767	13481.99849	10391.66781	18615.75053	15582.50615	14509.0737	24917.96311	17004.62428	12619.20896	11054.10954	21951.11841	14727.58657	10756.84043	12795.21562	14059.10708	17725.15761	12583.49543	14282.95714	11749.23931	12323.65716	14408.57185	13318.2075	18263.53652	14931.45215	12121.70296	10564.29265	17802.53961	12551.28763	11292.67094	8071.738211	26439.42147	11599.67497	21995.76009	16657.32612	11849.47355	21773.98583	21314.4322	16987.80269	14390.1207	17720.38591	16823.25259	13517.04887	13163.76343	15890.63796	36460.66203	13052.09052	14469.10133	17650.67379	18685.78376	15579.03083	19495.19011	10416.17525	12163.11696
Cholesterol	21415.00384	15562.22857	19997.30008	16022.90484	13589.3323	17926.99453	15219.24986	21365.34425	14552.11032	14483.41455	13924.12275	17758.1585	14843.06314	14855.70743	16676.28734	15864.62961	13139.10855	12677.47117	12787.49932	14966.87388	9105.280875	13439.25113	12775.53849	17774.25706	14843.24777	12411.5171	14702.7093	16795.79754	13862.58894	15039.79172	11521.94814	19519.68294	11917.98219	12139.4262	14611.8342	11275.42028	9456.678928	8480.384737	14404.03794	14179.88672	22553.40679	21463.26484	15495.25551	23862.49498	18896.01516	17126.74759	14167.70846	19209.73641	13187.23413	11544.99835	15346.81972	16175.7552	13978.95856	12231.68943	14825.93269	18329.95029	18598.38972	19453.58322	12639.60628	10252.50657	11854.19688
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name	KEGG ID
Propylene glycol	C00583
Pyruvate	C00022
Lactate	C00186
Glycolate	C00160
Alanine	C00041
2-Hydroxybutyrate	C05984
Ketovaline	C00141
3-Hydroxybutyrate	C01089
2-Aminobutyrate	C02261
Ketoisoleucine	None
Valine	C00183
Urea	C00086
Ethanolamine	C00189
Leucine	C00123
Phosphate	None
Isoleucine	C00407
Proline	C00148
Succinate	C00042
Glycine	C00037
Glycerate	C00258
Serine	C00065
Threonine	C00188
beta-Alanine	C00099
3-Aminoisobutyrate	C01205
Malate	C00149
Erythritol	C00503
Aspartate	C00049
Methionine	C00073
Pyroglutamate	C01879
Hydroxyproline	C01157
Cysteine	C00097
Creatinine	C00791
Threonate	C01620
Hypotaurine	C00519
Glutamate	C00025
Phenylalanine	C00079
Laureate	C02679
Asparagine	C00152
Arabinose	C00216
Xylulose	C00310
Glutamine	C00064
Ornithine	C00077
Arginine	C00062
Citrate	C00158
Hippurate	C01586
Myristate	C06424
1,5-Anhydroglucitol	C07326
Quinate	C00296
Fructose	C00095
Mannose	C00159
Glucose	C00031
Indole-3-acetaldehyde	C00637
Allose	C01487
Lysine	C00047
Histidine	C00135
Pentadecanoate	C16537
Galactose	C00124
Tyrosine	C00082
Mannitol	C00392
Glucuronate	C00191
Paraxanthine	C13747
Palmitoleate	C08362
Gluconate	C00257
Palmitate	C00249
Spermidine	C00315
Urate	C00366
N-Acetylglucosamine	C03953
Inositol	C00137
Heptadecanoate	None
Linoleate	C01595
Oleate	C00712
Elaidiate	C01712
Stearate	C01530
Tryptophan	C00078
Cystine	C00491
Uridine	C00105
alpha-Tocopherol	C02477
Cholesterol	C00187
METABOLITES_END
#END