#METABOLOMICS WORKBENCH sakanaka_20210815_022528 DATATRACK_ID:2798 STUDY_ID:ST001905 ANALYSIS_ID:AN003102 PROJECT_ID:PR001200
VERSION             	1
CREATED_ON             	August 15, 2021, 12:02 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 saliva 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            	Four calibrated and licensed dentists performed oral examinations, and saliva
CO:COLLECTION_SUMMARY            	collection the same day as blood collection. All subjects were asked to refrain
CO:COLLECTION_SUMMARY            	from eating, drinking, or brushing for at least 1 h prior to undergoing these
CO:COLLECTION_SUMMARY            	procedures. The subject was asked to expectorate unstimulated whole saliva over
CO:COLLECTION_SUMMARY            	a 10-min period into a 50-mL tube (Corning, Corning, NY, USA) kept on ice.
CO:COLLECTION_SUMMARY            	Following incubation on ice for 15 min, the aqueous layer of each sample was
CO:COLLECTION_SUMMARY            	pipetted off, and samples with volumes of at least 1 and 0.1 mL were aliquoted
CO:COLLECTION_SUMMARY            	into 2-mL tubes kept at 4℃ in a CubeCooler® as study and quality control (QC)
CO:COLLECTION_SUMMARY            	samples, respectively. Subsequently, they were frozen with liquid nitrogen and
CO:COLLECTION_SUMMARY            	stored at −80℃ until analysis.
CO:SAMPLE_TYPE                   	Saliva
#TREATMENT
TR:TREATMENT_SUMMARY             	Systemically healthy controls and T2D patients were recruited.
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	Saliva samples were thawed at 4℃, then vortexed and centrifuged (4 ℃, 18,000
SP:SAMPLEPREP_SUMMARY            	× g) for 3 min. Next, 0.8 mL of the aqueous layer was pipetted off and weighed,
SP:SAMPLEPREP_SUMMARY            	then 0.3 mL of that was transferred into a 2-mL glass vial (Nichiden-Rika Glass,
SP:SAMPLEPREP_SUMMARY            	Kobe, Japan) and kept at 4℃ in a CubeCooler®. For extraction, 0.3 mL of
SP:SAMPLEPREP_SUMMARY            	deaerated MilliQ water containing ribitol (0.02 mg/mL) as an internal standard
SP:SAMPLEPREP_SUMMARY            	was added. After incubation using an Eppendorf thermomixer (25℃, 1000 rpm, 10
SP:SAMPLEPREP_SUMMARY            	min), 1.4 mL of deaerated acetonitrile was added. After incubation (25℃, 1000
SP:SAMPLEPREP_SUMMARY            	rpm, 10 min) and centrifugation (4℃, 1800 × g) for 3 min, 1.6 mL of the
SP:SAMPLEPREP_SUMMARY            	supernatant was transferred to a 2-mL tube and dried with a vacuum concentrator
SP:SAMPLEPREP_SUMMARY            	(VC-96R; TAITEC, Koshigaya, Japan) for 30 min, then allowed to lyophilize
SP:SAMPLEPREP_SUMMARY            	overnight. Derivatization was performed with a methoxyamine hydrochloride
SP:SAMPLEPREP_SUMMARY            	solution with pyridine at a concentration of 20 mg/mL, followed by silylation
SP:SAMPLEPREP_SUMMARY            	application of N-methyl-N-(trimethylsilyl)trifluoroacetamide (MSTFA).
#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
Propyleneglycol	5874.177866	4796.410271	11429.79875	4998.4685	4583.301586	1154.523409	26452.05915	16662.18229	1956.505707	58454.91261	9675.908859	11288.71205	6518.539608	18122.05697	11854.35577	11244.93472	6498.042873	2818.628908	3973.260052	28988.79163	4611.609636	7125.849385	7842.820937	6666.390741	1720.764331	7410.788912	2999.292453	128814.5084	4671.761105	12628.66279	7038.04929	3867.395073	4623.338683	5019.46385	11341.42077	10077.03919	24544.94137	32607.38958	4655.209844	6656.741639	21766.84039	7332.540468	7716.715962	12883.32377	13860.69994	7558.956374	4251.524616	3781.19194	6380.909216	21980.94808	14864.59295	8471.346926	3139.450355	4329.97436	19339.81684	10443.22544	5180.023977	4731.406844	11305.40409	1978.99272	16074.67875
nPropylamine	25495.36271	18436.36403	18328.1234	13116.09432	22305.42055	10188.13751	35870.30988	5139.825346	17369.21622	21445.26091	11285.86495	13774.89789	22097.07075	14160.79287	12488.94491	9789.713592	13966.48919	10719.43766	15419.94329	11787.95802	16389.70542	9695.898441	11722.91948	13843.64222	11653.78956	10713.51379	10701.67116	16710.57716	12012.57987	11617.62634	12880.99426	14760.01729	15159.34276	16780.31203	10360.80976	12596.14738	15184.80275	11565.60886	27496.81357	11615.35953	8761.043313	21608.94938	14834.00225	11933.17594	15348.68872	17430.15225	15318.63254	13937.36313	11853.23044	13407.18273	11357.94279	9092.078033	14218.39292	13811.94394	10494.3721	10638.19911	9913.244418	11660.4963	14972.30762	8255.163968	11549.68221
Oxaloacetate_Pyruvate	98166.56744	30243.20521	535246.5012	192415.8077	624153.8964	392877.3164	40535.2683	172434.5426	158824.3395	19118.70238	148346.5348	10500.87501	365871.1331	239355.7315	138746.7648	100732.5979	121141.1871	32155.89428	95991.66594	230495.3456	52593.63235	196666.6562	126480.2719	111723.4613	44207.90006	84701.2692	42630.32345	79919.32294	60867.87804	78531.4781	349243.3286	70611.56672	159644.5803	85153.84892	204909.5698	83225.03185	165541.7221	81933.74442	49376.67951	291265.9788	131869.137	83119.7443	144781.0767	58868.13321	139111.7741	62857.76662	29890.19588	56354.21229	128864.2951	58781.209	144961.4649	114428.5603	29875.55999	64230.50459	278826.4459	63910.07512	163098.956	101019.6118	130359.0012	114693.0535	130939.5255
Lactate	1825988.575	1662641.127	1906189.601	2298420.232	1425301.938	1569459.566	2252231.704	1771556.888	1935091.998	2966547.466	1432634.604	3061298.129	2601933.252	1195924.952	3164496.911	1245564.214	2442561.216	611351.8934	1498006.67	1888009.296	841409.1375	2005771.648	994717.8431	962188.6002	503076.1862	858894.0662	1299532.682	605529.9014	652812.1086	1056263.396	5044991.229	1101528.841	728638.6957	621840.7999	1833373.287	1587422.922	1466327.499	1222061.463	1038058.126	897885.6624	307237.8625	1236420.25	1066151.068	2164182.369	1405193.09	1997234.316	732895.6528	882744.2628	1603840.642	1306175.943	272535.4146	1740929.04	1040860.097	169890.9163	3675605.068	1125603.334	1211239.323	1269780.869	3145661.393	910537.7602	2031737.21
Glycolate	29771.86214	11133.91759	433140.3616	22230.06687	43091.39798	34827.08605	10134.9795	35296.90891	153422.8388	526.671495	14596.07165	36769.38764	66998.18322	52401.74032	73127.80683	51606.54792	83060.68084	36005.26064	32714.82069	62333.57331	28370.73665	46866.02304	37149.39799	62910.70744	14773.76191	39107.68303	27068.6624	36948.01654	23354.02149	56982.29872	41450.48208	47092.24394	84716.90231	46142.92544	52063.53908	41830.94328	61233.32747	36292.68562	42654.40448	63317.91738	46768.75047	74863.02712	29812.39913	55459.65021	59369.26117	77449.76582	26872.32553	31605.84971	59533.9532	40694.29872	54624.13168	34260.03782	25896.83817	46590.59521	53940.49429	28857.6206	71362.76537	49064.10847	37788.96743	35707.70513	46430.8703
Alanine_2TMS	324114.1525	288591.8128	203438.1449	521187.4906	416087.4526	76498.32531	883134.8264	251855.9925	259488.5428	4880261.537	165457.2375	2028376.139	540512.5806	342410.9705	142873.2015	198714.705	236069.4817	29800.4787	164291.1426	1115444.912	130285.2658	522160.5203	399916.514	313776.0405	104429.961	74291.68866	60552.61456	53157.77283	225915.7671	178557.7178	677631.3806	44308.59496	303115.7305	43617.32336	300454.2505	78721.12317	573903.6235	121874.3671	104087.0392	596562.2534	673204.3987	36880.51345	205401.5635	68362.74363	153583.1708	172154.1209	58853.91395	13084.45578	499633.051	114528.682	592103.2607	259687.453	55437.55824	435356.252	469277.7318	89623.08019	1337882.012	67774.46468	112260.3937	241715.3354	451672.4184
alfaHydroxybutyrate	179424.576	31065.96823	39881.64266	40017.658	25135.06396	42689.42388	116809.0885	23747.7828	78022.27127	28635.46335	55528.5137	36715.6354	67854.09024	38012.23213	52243.65883	35498.44145	34203.1437	51654.05759	48249.75205	35896.45965	46804.13708	27216.40624	29867.38765	29394.4355	28265.12615	27154.31903	13690.7345	29084.42634	28662.77899	24212.93498	113526.6294	33012.91913	27249.29818	39267.04192	26978.6006	38958.05942	35978.58524	25525.22184	57588.32475	19261.82646	16554.2129	38049.79895	30508.82134	32877.46054	30997.46797	37792.62867	56053.33797	37535.44323	33134.52538	24639.29553	23906.2049	29484.51514	48628.30946	41025.40639	41892.86162	16534.10866	46769.70878	45560.94657	71975.28703	22540.64839	39337.16443
Ketovaline_2	2336.610638	2132.668532	1691.176831	1812.980039	776.9520267	1403.772798	3760.647202	779.8196	1989.198815	2188.020621	1497.463714	800.3089144	2766.654887	3299.6093	4891.521557	2240.274264	2087.900682	5576.301932	3382.131231	3395.261516	3340.797286	2475.670245	3780.473273	3025.582382	1688.712783	1738.868532	1505.794811	1666.394655	1907.491837	1847.307337	2231.769199	2320.758573	2669.254872	2473.926029	1310.513418	2863.916832	1151.600834	1575.679551	3426.410885	2953.867141	2291.182206	2848.761728	1798.272862	1489.430887	1150.519028	1456.112506	3651.207825	2565.984701	904.7258674	1443.029642	1314.308156	2042.577269	3758.056559	1586.447935	1707.591017	4609.250044	1800.988061	3146.137683	2661.761971	2252.968771	883.7182304
Sarcosine_2TMS	28925.43099	24004.46183	28072.54061	33096.2341	40409.25791	17141.80427	28743.32294	17339.77847	49488.08374	113783.5785	24812.03011	90481.3006	37902.76001	18226.92514	6720.368378	21550.35928	24139.8986	2247.635988	24573.96105	54133.05041	18032.40287	24546.45561	28273.93716	56119.37355	2401.23636	10309.573	3011.499663	9325.670506	24773.09874	18508.19615	15444.24677	9843.214277	60357.35575	11073.82219	35969.65556	12433.01228	70476.03646	15169.6596	7472.68871	23301.77618	34544.15879	8920.141252	11822.69932	10269.24702	27727.5298	55325.6148	8691.710321	35404.58977	25105.44451	10217.27819	27922.41442	12793.02573	4570.284291	35456.92166	23809.94104	8805.637276	64462.60053	7310.569342	18596.85603	17538.76378	22556.77805
betaHydroxybutyrate	152698.0886	76007.59481	74806.38472	247839.4087	81750.14701	123779.6288	7898834.691	201732.4244	181549.4041	395585.6658	129848.3509	93335.63279	180402.6779	65155.17547	63675.75716	227595.9923	85653.34892	41923.42849	36280.82991	75533.66931	20775.52188	35367.18126	46151.41186	123230.5766	8732.106848	40133.84604	19276.14218	33753.31085	29436.45141	62039.3495	116440.5519	32654.73219	81112.09273	33055.04922	41750.25639	230874.2802	64042.94001	30578.7537	27962.96333	58100.41697	214961.7734	25645.57171	24881.95699	51437.23725	105776.4518	721766.8203	17890.37464	14945.32273	72696.96719	29708.6416	35922.87469	31690.20959	17666.10689	38349.57556	88879.64873	114773.4159	162909.1363	39153.63218	93783.88122	44881.89209	71307.73394
alfaAminobutyrate	12534.54596	15826.45837	12063.35683	25499.33129	16900.19853	7205.32214	13247.72137	21068.92146	35505.55268	65354.81956	15431.94025	55255.48627	21372.47953	15309.19653	11758.92681	15532.97237	11760.32631	9557.254793	9328.675319	61819.91335	14482.93393	17270.09795	20290.95779	18519.69035	5776.884412	6578.708688	6205.415094	4073.941075	7762.608172	9734.007144	38113.24567	5811.712129	20844.26442	4778.762691	12559.41266	7753.424043	66599.4124	11159.80348	11703.29648	35029.66605	24589.68157	6393.63955	11858.36354	8154.899607	12744.36157	18126.47907	8221.185233	7235.218239	17577.1529	13052.42665	30906.99786	13898.37042	4975.568456	18570.74009	24437.23498	8088.220819	29403.58659	10875.77547	9068.822818	9932.20234	27472.38563
Malonate	6813.135901	7210.007993	4987.37869	7838.430288	7865.31199	6435.35183	7176.838647	6156.201469	4203.617378	16029.73469	5574.598923	12822.23288	14050.86981	7880.342579	3211.852998	8176.425463	4835.758415	3080.940264	6676.389073	10907.49624	4251.499753	4455.796254	6833.34083	9472.594977	2581.604701	6195.210737	3161.493598	6052.572447	4303.238446	7469.108441	2409.153407	2819.726975	8595.506305	9060.885702	10567.88691	6786.269174	9659.978404	3584.67539	7837.634936	6735.784718	11326.79351	6645.105681	3838.178397	6831.982702	16834.39281	10114.68895	3738.597284	799.1078446	7150.970073	4378.66205	9559.679312	4063.928081	5707.126448	7875.227403	11487.80329	3272.173501	15592.95669	7256.314789	14287.75447	4451.723024	6832.373545
betaHydroxyisovalerate	25554.35925	36962.92945	25520.16549	17276.29343	8980.505114	9452.400872	8847.51805	44041.88666	9054.671291	9140.667421	18409.73553	3772.976497	43716.87116	35465.47653	9835.617396	48835.14826	43340.77284	2355.007432	10294.4552	44998.45149	7956.485258	37928.35985	17865.89178	104149.7151	1380.451291	24211.17394	1972.385782	20871.18804	2902.663235	36538.68252	4347.144723	10264.78888	45716.37753	11299.4474	46093.78682	9781.898792	8605.368757	33717.07024	8117.847031	15006.26579	11152.61202	8434.781936	7068.708182	8515.943839	29353.83439	23894.41842	3864.732491	3089.585521	10193.86411	18290.03374	13135.05685	16399.66839	4090.095926	19895.31752	1948.177142	3687.738651	16314.83091	4374.892936	58292.34202	17363.31133	26287.91643
Valine_2TMS	104726.2594	144330.1266	109171.4169	327691.7894	279675.2193	53825.08666	478631.2164	169592.7013	189364.5753	1693673.331	151173.778	1239422.957	188120.8531	80873.93131	52876.87028	136074.5876	60373.74741	22099.46839	132004.5468	797465.9038	101228.0683	233290.4945	271809.8824	140036.9945	72526.87503	47050.40086	57389.67655	24366.95641	77477.53064	92948.04526	401303.4921	28517.81275	228211.438	40603.21279	118146.3526	44262.51847	683739.9493	111234.3711	64690.35066	367274.9904	281561.7784	14379.18342	104547.2892	40649.67124	112832.9955	125301.0604	32086.02994	8795.675216	187893.3434	106429.9351	496897.1271	73777.61082	25188.38919	251555.3011	199578.7731	33187.55147	362452.5701	26661.39684	65888.77669	119783.3379	232063.1301
Urea	509791.9364	523836.414	574382.7766	253206.3955	181890.1817	362833.3504	439150.6382	447654.9265	303657.7842	90958.30001	691525.6225	86152.53129	558537.9159	291036.7388	457718.0009	309645.4812	232098.7077	247448.6407	169032.0647	43708.91087	1650.733609	224927.1687	63037.39435	230573.5674	2041455.587	136122.1443	89089.67992	164643.9198	88153.70392	121765.2319	332423.2343	458774.6905	163037.2691	706582.6715	118726.47	409718.4936	94246.74183	358505.9407	184187.5844	18245.88691	31339.05194	411689.6587	4734561.711	385892.3113	308579.7922	723271.3602	5039692.147	352464.1768	270438.3462	457184.1594	38956.90718	99498.72276	2222397.409	3966.423539	310562.2883	172208.7399	79085.27898	57349.80989	467368.862	60476.10559	226388.4715
Dihydroxyacetone	1169.328284	1900.610753	702.5577689	954.3030821	3507.048978	454.2123707	1399.375325	179.1085853	740.0848982	1132.479316	1281.442242	2522.793936	2143.387173	2082.130275	1524.739003	773.612691	688.3449178	216.0171323	2763.06032	1999.8646	1055.738103	2618.301074	7095.138154	1416.910145	1076.837012	943.284928	1497.317385	1047.960802	1801.083324	786.3497789	3520.444881	622.2510105	2721.74551	1560.593209	1952.57574	534.5044081	2927.948171	449.1679952	2435.803111	2230.177867	1828.451737	869.0620683	4112.216006	505.7010135	1022.840314	289.9164949	1703.031356	193.7289136	1486.114813	302.8606982	634.2288094	1357.381279	540.9691292	1566.796943	2199.788232	418.6051062	1593.646036	1083.495097	684.9760026	1125.554157	1277.492921
Oxamate	19703.02101	27833.0355	17958.38186	48966.36332	21873.65617	4586.51475	3084375.758	11347.10234	21998.07806	99308.48736	12147.3123	67496.01884	27000.84119	5638.770803	6354.324078	22048.69952	12136.41181	3861.560555	6955.835967	27962.1184	2686.582355	31284.4542	12197.19271	18772.19284	5324.017183	13992.26922	12244.53841	8387.38021	5985.884522	14138.61258	29155.38747	3212.671022	34205.80308	6377.328501	17711.2901	8685.499669	37715.00891	9457.404121	9115.51098	19967.10024	19817.37027	4642.729147	9954.810502	5126.37071	26818.43565	15176.20992	2500.098811	2027.549623	27810.96932	6792.820783	26288.35441	5414.453224	2888.742494	15201.8023	1789800.025	2566.003644	60110.41511	5702.595557	10200.92998	22657.54184	21349.82569
Serine_2TMS_minor	192674.7818	308190.7338	180660.333	496956.5086	224296.9366	43826.42348	602207.6186	97660.60713	240100.2838	805245.1151	136765.7433	774944.9411	280363.6545	51081.51842	56686.41168	209119.7247	134769.3559	29889.16379	74785.45536	324468.5941	29280.71095	335261.6253	111253.6797	207133.7983	48128.61304	133319.3596	111075.7075	93372.60961	56690.42808	140576.753	325912.8401	35003.88947	349501.6686	57787.65775	178499.1157	79918.77898	385348.9692	89857.88339	86954.36947	217550.3915	203215.1211	32712.81575	108009.0423	67013.31068	266159.0361	134746.25	29320.42007	18275.20624	255829.7509	52170.42863	277350.1432	57679.86735	22059.22013	162407.1096	285243.0059	31248.33662	631726.2601	50527.22634	111737.8112	203857.6337	201639.4689
Ethanolamine	1419022.889	1389329.299	733476.4532	994599.7285	849261.5284	1430929.78	1227629.094	618432.1484	1128130.651	915704.0614	427756.3345	1161340.281	1537400.264	240371.2024	533898.3465	619820.5647	499015.2102	77734.48893	383978.2155	685745.494	174230.8306	604239.3543	295787.3432	1253825.911	159661.976	1139395.31	616989.1173	553201.8072	820439.1175	887669.1564	934227.4418	472846.1245	642232.6837	839775.4646	679276.762	1391499.771	944960.7513	429358.6003	589078.4853	229718.7239	267711.1438	310594.2881	439446.0427	528333.8629	1124817.237	957287.3718	189256.635	71144.28279	486203.9526	259343.6446	329327.9802	361532.164	89419.42943	639701.5758	1037986.702	237244.7528	235228.5329	448211.1267	937453.258	251925.1939	496082.3611
Leucine_2TMS	116761.8782	195990.2085	132002.2474	431425.9138	265892.9963	78540.56106	436891.3966	179590.4583	189084.1037	2088759.462	232437.0049	1351597.552	146289.6394	71391.90426	55775.00967	193878.656	49720.46203	19749.95843	150262.5379	2214782.312	2078040.333	567151.5398	281440.0829	140438.1084	83414.42749	43920.13873	73942.29784	35585.79192	108094.6052	126655.8417	379369.9506	38321.51918	249012.1513	43021.94464	127054.5482	46598.86867	504865.0277	74999.6591	52930.31864	316208.0631	307129.3419	15746.0666	86737.97153	33744.47288	107231.5165	84892.10286	20611.00822	8141.177941	301093.2179	90768.98606	722288.8447	101991.0257	11934.88975	310634.3382	197130.6988	29720.26255	518099.0059	19688.11287	64642.0285	167146.8227	280838.6131
Phosphate	8534609.802	9078299.91	8868817.04	9364851.928	6725962.858	13891310.64	5890868.134	9612282.722	7950926.54	6091206.84	8518916.167	7397845.899	12751867.8	9221348.626	8844271.292	6388587.188	7509722.607	8139682.044	10179307.24	6283605.775	9426330.941	5632030.405	6825705.803	8028562.377	4097950.921	7268309.332	6558287.062	7588464.524	8507372.492	6567313.332	6012328.287	7471646.541	7479882.817	8805407.767	6754064.969	9359868.522	5432850.363	6490845.741	14742474.11	6349943.366	5620458.32	11764563.36	8961059.823	8322192.019	7887496.143	9111570.06	11909670.05	7110204.49	6229341.364	8528193.279	6305045.214	6141809.891	11515046.72	10576754.38	5528819.972	6788179.391	5335937.859	8173476.086	7707472.481	6008386.855	6800121.83
Nicotinate	16171.9432	12164.54946	11858.90285	22406.99884	32399.83917	8798.900996	22478.30676	9386.680444	29602.07832	67001.96655	10388.03553	68454.70719	25591.22969	15736.63779	5906.045548	5082.358061	18227.67323	2956.456627	12116.84675	32812.2567	5000.969706	18457.58169	20221.2581	11839.45224	6376.404483	3874.924225	10066.75168	9566.723258	8424.474409	7793.228248	17330.4139	3083.10344	30424.54719	6860.632791	19873.45116	5784.56709	25384.36582	4881.840878	59766.81507	35188.15051	20424.87594	1538.565832	15312.86261	3650.795052	12443.58768	10238.10559	3029.182452	929.59972	19440.71774	2785.50308	25366.22266	9223.629628	1999.492712	31065.50497	19113.42617	1662.433303	28181.92717	3212.96678	4695.787676	13928.5481	11259.38456
Isoleucine_2TMS_major	53200.7752	63403.85807	44733.57851	200884.2074	95737.50157	38828.39215	104121.3106	66505.02413	65875.3364	942296.3913	62644.42986	788121.6151	54653.00515	24987.01739	19760.08486	52930.42202	24484.0337	7709.8123	53444.85054	264678.7162	35131.54837	145310.0227	155417.1647	66723.87522	41198.74586	14501.10332	34158.06267	12483.4413	53691.24505	43982.91324	218200.4205	10935.24163	117593.7842	16059.79387	56128.2386	14127.97228	97434.04565	20143.14935	19821.83983	122851.7444	119071.9896	6562.239406	40957.78134	8578.686731	42430.05801	32939.26337	11845.91474	1823.036848	95973.12755	29267.71284	238477.6056	23108.53649	7205.142644	178152.0002	42034.28428	10537.1035	195332.0346	8403.841305	19932.91198	81054.92584	109265.169
Proline_2TMS	620325.1295	2178350.723	1679170.497	3849689.778	939858.8697	270570.7683	1315879.108	2484724.977	433028.766	6202011.819	980884.892	6833050.626	1285598.666	1666522.222	206148.8239	1726018.622	1028563.732	22022.91703	216362.2419	3415639.17	175690.4029	2116339.785	1244919.71	2091146.368	148111.0947	331047.1738	226194.2385	340960.6618	773422.253	676711.8483	2339299.088	134892.4422	3137341.995	144097.566	1646605.845	304217.6018	1057567.737	486831.9045	391045.8706	2106522.946	3354453.283	97138.73595	515149.0598	67005.42341	464849.2127	304373.3873	51113.20539	18903.12484	2025170.964	367805.7176	5539140.245	324140.8327	13129.91653	1738419.258	774632.1415	200631.4108	4128588.841	58992.59556	515470.6858	926313.5801	762635.2527
Maleate	1956.400117	2470.28832	1352.476249	1809.667655	1863.121655	2210.685817	2132.322388	1597.596683	2321.594048	19827.18471	2949.858795	84.86870449	5004.69177	1089.699433	1680.646908	3168.79162	1361.2402	1008.294072	1057.184756	1404.983012	1317.147595	1937.481389	1868.366035	2936.889706	120.2031304	1068.489281	540.0379043	932.8238244	536.672429	763.8702006	840.7695351	1147.677759	999.140186	1111.600483	824.2374827	1253.222239	1893.751852	1166.351832	1396.826572	692.5519971	479.3533651	1660.068048	725.4232853	2108.174544	2061.548033	2984.434536	499.6617592	905.0322484	2203.755819	1047.749219	170.8310632	944.691935	555.397932	263.0043564	2262.967256	942.923457	1913.729957	1274.545727	2624.729421	563.9117227	1907.075955
Glycine_3TMS	1258404.753	2919881.532	2465256.921	6184523.103	1356713.995	838080.4288	2305016.75	2546342.226	1060918.343	5872551.239	1683612.679	7171806.712	2406198.95	2194780.527	573940.8748	1735955.875	3480771.059	121093.9508	584903.3564	4844556.604	1157885.889	3823324.504	2035831.259	3658009.76	487537.155	1056850.888	699647.3046	805437.1492	1619728.273	1543036.147	2984173.872	524731.8301	5444386.702	527976.7651	3441069.843	623682.1077	2792356.176	737129.1924	1469063.078	3477543.969	3639673.84	443044.9531	1432643.876	397076.1661	2020465.353	1124540.198	206811.6885	111561.8219	1999774.139	733619.4383	4980344.953	565856.732	131601.5448	3864121.879	2767621.628	523041.9526	4286898.446	456577.7466	980162.21	1874888.76	2348263.545
Glycerate	19850.14757	20243.20949	13730.18694	29417.77867	53463.1116	11253.0137	58368.53954	10485.21491	27636.68832	184180.8626	20242.09298	94624.66896	35642.11941	14600.46126	10910.86791	12200.90072	10053.5624	4904.510342	12266.3902	48582.07722	5469.190435	46430.4647	28014.68585	13509.895	13567.78749	10424.92146	15417.98854	13879.71238	7752.812672	20849.24184	48152.75252	6383.240206	38919.46504	7823.979233	31216.49044	10601.35555	78322.38656	7952.221387	14287.46936	86607.24661	58558.28242	8461.828024	29578.76312	8130.884633	15422.49251	8023.981915	7776.049058	3925.744713	28149.4297	7123.617707	95705.64707	9897.45952	4211.246045	35648.05457	63721.23949	5805.673214	61701.4736	10751.07064	8365.302118	15787.17853	30756.78057
Uracil	58992.43796	48266.72899	50835.71356	99368.37448	220417.5609	16201.68639	22782.49726	32962.13315	80843.38231	530314.1959	21192.01931	377877.4982	104770.5134	38848.28523	19991.63412	14978.30179	20567.55404	5721.147867	28353.88785	141514.2031	6083.13648	67148.2423	42847.42833	31603.86296	7032.753666	84149.46845	30848.3996	22980.89723	33561.50231	37143.63368	160522.5115	10138.4915	119380.563	33816.27985	59477.04953	15169.94343	92437.52605	12026.52028	18956.49042	126601.9591	100949.4552	6262.21363	26051.04631	23061.97432	38512.4396	34020.8975	2174.505822	8447.954602	79953.66334	10974.65849	125586.7822	22809.28521	4619.971596	70062.85131	57821.73378	7658.420225	176259.953	29686.10166	23139.81326	50799.00327	51703.20811
Fumarate	9728.301772	10236.37973	10777.84248	15247.83549	8403.302088	4070.355999	14194.38717	7564.768829	16465.43162	38651.57802	13014.91693	19528.17774	18412.77221	10708.18176	11208.86504	10157.48406	5832.099318	3797.25177	3849.784029	16671.91593	6154.886636	9640.642583	7439.534055	10120.8523	3309.291463	6604.310739	13636.02089	3340.539357	5588.63304	6401.671704	18925.39779	17167.76572	239845.421	7158.245046	7752.638343	6978.271416	16184.09462	6675.635434	3294.295433	14932.75911	12833.9426	8542.490978	8278.792165	8913.368342	10213.85861	12531.73467	2709.831922	2948.275586	12295.92823	6392.555852	10646.43478	6773.012772	2578.606204	6761.197879	16669.91845	5372.269835	13408.17224	4489.671803	10726.85341	5403.670908	10774.02807
Nonanoate	3960.231548	4260.936898	4188.661763	5195.663935	5431.571382	6897.149522	3023.558886	6708.708242	4167.564664	6784.682007	5352.111797	3411.280833	27273.31823	29475.65418	12727.48237	5304.190871	6088.073497	15345.7862	13558.75938	4895.195079	8286.667426	6277.678552	4906.352668	12851.7718	4408.168666	4000.052276	5145.073787	8725.400191	7668.666846	3057.762234	4145.894179	12884.07352	9299.71112	15288.95057	4114.663511	5879.085767	2835.825528	11767.76458	18365.65454	13585.02384	4138.943221	13490.37014	8205.191518	55191.93622	117720.5074	8507.090312	6571.703369	8297.559122	2738.044796	9833.416877	4030.233762	4579.472007	8296.11262	7046.181574	2469.774934	11506.42142	2651.728858	10131.659	3482.259371	9076.523677	3100.734756
Threonine_3TMS_major	34598.00626	26517.51188	39909.60262	96645.72377	47229.34184	24344.6549	67966.97568	25027.20617	37473.98953	385686.4076	44531.82647	288958.4006	35951.13113	18217.55033	27948.87627	22042.11112	17809.53276	7124.192386	30997.30442	74865.01711	19384.18847	82688.38806	84447.68101	35097.12067	27205.13504	27341.05406	25142.93127	8623.136621	31891.16566	33817.52142	108274.9406	13308.10179	53402.00229	13806.56437	40224.13762	14609.82521	57676.97059	10406.23653	19648.05162	69002.85533	62496.39179	7508.247242	21910.68285	16043.93451	42032.89858	20751.08097	7605.759825	2917.674116	59696.24192	20395.42894	79356.95221	23770.04586	4326.24891	52637.25573	55371.6422	8580.384836	113765.9224	15569.29157	15710.95404	46203.99034	69376.98068
Glutarate	14509.44051	11018.78791	16303.32005	15573.513	126722.9915	6126.735897	10654.23814	14418.94225	10658.03392	71553.55715	5098.504369	13933.12257	28564.94363	136694.2342	21429.49772	10629.27841	11516.79988	14087.94941	12209.94042	15632.59192	14482.67062	29277.74312	9662.168766	4423.321836	9390.555473	9032.9478	7466.057951	10127.97149	11520.30528	10166.75077	15090.69059	11056.84724	14820.06369	12049.65687	18350.19277	16702.43082	15625.97494	9799.166792	14971.62723	77687.80573	13610.2536	7438.445201	4209.576298	2426.727417	3578.068974	2492.798281	1074.609598	1680.965952	11405.48341	18139.89639	29207.88964	11558.14399	15213.78348	109289.3879	114637.2601	15695.47531	38535.52125	15577.47649	11395.07087	6946.963532	5996.097414
Thymine	18125.49685	13040.21638	12333.53764	23550.60586	61689.80474	10184.00842	23359.56362	12598.50045	17332.9365	269888.7967	13945.29926	79173.35862	32711.67965	13550.32351	6559.701504	17531.06973	12031.2388	3181.461792	15980.14415	72242.27451	8930.067221	17219.58154	24741.39809	25970.74168	3007.650225	7600.946995	7709.266173	12891.42857	9239.100047	12342.34468	20334.54672	5920.199303	24306.40683	12074.00211	24885.21077	10527.49325	51767.51124	12625.71815	10122.08494	48901.57703	55968.41134	8750.876379	10811.08824	10073.8745	22304.39982	20989.84101	7166.360635	3596.941153	23740.33001	9091.177762	45544.1672	13581.99953	3533.364893	29933.46444	23852.24439	4603.24041	75760.38763	8840.159095	21045.46418	12838.6243	23885.63086
Hydrocinnamate	60163.84663	191099.1707	131253.6521	22765.8203	17262.18179	7314.139474	9822.8249	58657.86258	44653.0046	9584.046272	116268.1283	72585.28612	153353.4755	88048.74899	56413.98141	339300.8805	21269.24279	16856.21426	34818.99147	330155.6844	64262.44351	84646.76436	190860.5071	284943.8696	41567.78749	110796.1497	19435.46159	80738.38244	49106.63952	168987.3348	16813.43601	31802.85228	54394.57903	85714.0566	112991.7675	50509.30031	126185.5712	199314.5836	2926.139763	146448.6626	122486.3975	18361.07846	4217.045578	70858.07481	74927.11162	93940.99442	16850.22965	1585.59472	215384.9551	126713.8825	105423.5363	250394.2589	1310.436278	222871.2255	170126.91	29904.25516	198888.3561	17722.46348	173302.5169	48791.69955	99285.4018
betaAlanine_3TMS	11385.21793	8427.738828	9516.834202	18984.53416	15089.88013	3930.741981	21199.4816	15991.67307	13664.43786	70047.36829	14684.29536	44234.59934	21425.20097	12367.27295	6159.361078	15799.39277	16831.89956	3440.761886	10870.51476	23625.55922	15342.02777	13778.86999	18495.41257	25173.16369	4156.658273	10351.12217	4605.830863	9664.823672	10188.21252	12170.13814	12518.13239	12819.31006	26165.67571	20790.36677	16629.12038	7409.245273	22811.86249	6931.803279	5614.345455	16628.04297	20832.97509	3574.718012	8081.27199	13445.08039	20398.02639	20834.19136	5014.307207	2633.721314	16323.3829	7056.109585	19569.09684	17782.73012	5589.672854	19572.5374	13547.3391	4115.840176	27630.81073	6091.645988	17760.86366	14858.59301	27294.71525
Decanoate	2103.863098	1802.948859	1818.393094	1559.189502	1864.936044	2025.527929	1664.204211	1216.81616	1226.316918	1986.503709	2269.388502	2098.600997	11775.27687	10479.55619	5709.994384	2235.801032	1216.627826	5606.112217	5566.641768	2637.684059	1724.552808	1832.972024	1860.707761	5640.84515	991.4383054	912.0536832	894.8836253	3196.059815	3064.869835	1198.161425	1625.873776	4016.051046	4286.289135	5970.142134	1709.850746	1913.373083	1569.447807	4759.24901	6944.031814	4262.695261	6146.665337	5770.982576	1993.477388	5382.024183	2705.07095	2009.64792	3187.899402	4597.900105	841.2463517	3282.651313	3630.99621	1887.916267	1946.897222	3384.85375	1287.440974	3126.25521	1311.356212	4014.074445	973.2553449	3695.172132	2525.232144
Homoserine	3330.779384	4119.197414	2133.833895	6964.94243	8118.678159	3363.615129	4546.394472	3049.400557	3412.89413	17901.88357	2816.583811	17915.08161	5935.011075	2557.943527	1808.268547	2258.724825	5239.784998	418.157668	2390.664651	11042.73427	3658.752548	4851.032678	2978.421498	3874.960783	621.9709673	929.1291563	4151.081199	968.9252816	2290.89419	4322.089381	4339.676292	1228.499377	5994.904089	1447.278896	5661.026835	2248.44825	6372.504332	913.5821928	1780.478215	2903.656166	6481.223849	539.9703062	2112.00788	973.0470559	2543.911264	1905.859842	522.5362099	484.8116594	4554.181818	847.5793224	6824.031118	2281.605223	487.3783979	3248.570362	12220.01756	963.4273878	13335.4713	1283.890334	3370.708952	1316.172949	11451.07042
Citramalate	32055.87546	20262.50268	12876.93329	17332.07301	21731.00797	9511.691653	18047.77335	19839.56047	10781.59279	51749.45807	8777.390194	21988.29634	25860.84966	40422.54441	15184.51613	5298.798705	8996.785138	7653.927591	5323.60693	23555.889	5290.749307	26618.33399	7916.804083	8601.494085	4068.135091	2964.649526	4934.956536	8803.857716	2342.893729	5685.874447	11678.27223	4631.789918	15378.14801	2937.786003	8744.543268	3867.384192	12400.11049	14521.6223	5358.817468	87879.21485	34424.28746	2453.481802	8178.632282	7118.348116	6713.548798	7287.92836	3410.997294	3519.530023	15564.60004	11980.15028	22857.15858	17613.85528	2572.083219	8229.030893	8897.351901	9922.691357	16622.4187	16928.58715	5209.743571	23002.00708	23913.96388
Malate	34712.95933	38023.94485	42238.56369	39313.24853	26271.96743	19244.5686	73605.29515	33104.96113	83681.12996	111911.4799	48990.89172	37746.50213	71687.74296	64918.29209	60386.07849	29512.67078	26651.28277	15548.28047	15025.52431	48547.64124	19842.4468	42986.54651	22397.76629	37072.03188	12346.44744	24771.58008	54688.59501	10745.89119	14295.17114	26100.69196	66198.25083	25459.43005	20075.83238	12023.27602	25180.99019	26484.42134	62211.87756	31102.73224	12983.95278	50380.70226	23821.42982	24556.48005	22451.05136	47545.42753	37577.13266	45042.42697	8495.523722	15336.58317	41139.6449	24954.69336	25715.08761	31365.38252	9407.687056	20427.54226	72888.40045	32046.69944	27643.52865	24617.18031	42920.04937	22990.07688	47397.81763
Dihydrouracil	2773.047234	2147.766375	3257.248953	5841.70446	5782.128515	2115.581606	3965.656876	2562.445657	2520.422221	9454.415692	2601.152539	11264.71024	5916.126527	2599.073989	2477.468272	2870.52019	2328.826766	814.4368245	3035.375295	5223.337249	697.6232324	2782.736149	2409.944536	4758.748116	1139.874586	1348.310337	1491.215296	1948.609609	2718.177558	2924.289676	1564.183576	1480.854158	4453.534072	2502.046418	4624.744309	3330.048413	3755.285137	1532.941294	352.2805262	1375.040888	1343.737875	1870.596969	1271.871993	2278.672315	8712.091286	3277.807836	1167.575163	1255.724214	2185.04649	1173.605289	3042.838668	1807.746315	1334.062539	1876.192278	2318.94618	1128.697996	3831.784804	1677.990794	2286.625528	1734.264526	4241.35926
Threitol	5921.164325	3252.311843	3118.81704	5083.312384	12704.27462	4890.684208	8691.362416	1708.84484	5358.305063	10644.99937	3774.871997	7316.022035	5274.766681	3191.974568	3047.291695	2755.607732	2357.039277	1290.031493	3284.264961	4092.993318	1530.924512	2437.495181	2055.501004	2158.702128	1506.333876	3417.063007	2746.664757	2182.573083	2143.344986	1844.21973	5360.310521	1331.529095	5260.451917	2233.066543	2325.431665	1774.102839	2697.04643	1957.901439	2591.096994	4164.57948	7632.426502	2357.120322	2235.017112	1934.369475	4699.422452	3595.299936	1464.868542	1129.336533	3250.055838	1753.995911	8769.221918	1252.010674	1767.525601	1688.07946	3038.465437	966.412738	8075.427344	1364.545727	2403.370857	1897.85413	3193.084891
Erythritol	426844.1359	9505.594553	8323.301665	6931.069435	20963.37547	9210.232262	41182.68642	7319.701098	20289.77363	11358.36037	332882.1496	21688.45187	379335.6064	10271.68485	954652.2244	11645.73424	317964.7509	3136.601245	137598.7609	5682.06434	5581.950806	7312.793041	741178.1532	8107.391227	50589.18679	5038.158285	201881.907	4762.597773	350467.7756	9945.684095	22633.20934	5971.155909	5170.427207	10122.90025	400732.7048	10206.56373	83214.30329	5026.971474	12266.20979	2640.650228	491116.7743	7945.801629	4252.675448	10094.23209	76701.02378	6364.817465	3124.245388	4875.172241	9456.534036	106316.8379	237320.0255	3605.62398	51020.81475	7358.953474	21002.94568	14430.82682	529767.1212	7801.8331	16508.64031	5803.214043	364381.3479
Methionine_2TMS	11537.88744	13820.41649	8268.102973	31941.4048	46018.46556	7045.789589	11837.08774	5651.266051	16007.37499	247189.5385	13073.13028	101738.441	23081.61569	5786.728168	4375.541274	8140.071855	4587.384017	1306.152024	16241.56788	65078.06449	5517.502564	26282.16284	23935.23266	13968.25835	8183.412828	4443.756817	8863.794137	7002.948011	8221.612693	11470.67023	37019.04679	3162.343849	30010.54643	10565.23505	19247.37438	4915.983285	23958.2151	4448.241841	3355.427943	28312.29883	34543.38079	1048.894731	8067.621585	2272.487092	5045.62606	4299.192426	3773.176097	575.5456227	32611.39093	2476.851942	47000.39273	7427.564445	860.525028	27969.83894	24080.36131	1522.628466	88336.87996	2932.068241	6277.023574	10293.1045	26927.70499
Aspartate_3TMS	304631.5123	666843.4935	613720.9112	1021204.686	533467.9969	208917.3041	409625.3393	206944.1133	424819.0176	3611837.546	292873.616	2336301.254	918918.6929	388366.6646	191735.6461	306785.3456	125613.4287	53323.09088	172249.0725	1039083.526	60978.7804	487658.6161	415015.5526	479864.3877	53981.63235	257598.8338	130095.1819	259012.154	195320.5537	293111.4386	690792.0031	109531.7894	674776.9201	182474.4133	453005.8658	142112.7249	860401.577	171739.5097	76358.48132	761198.6906	659681.6198	72569.71853	151880.9846	94323.46322	350078.6129	149053.2679	27995.16373	24697.51512	577781.1908	100183.5949	1413407.377	185575.8957	21266.65504	369128.4758	443238.4393	103351.7183	1143281.882	186045.3272	193692.0104	386913.7638	543064.4264
Pyroglutamate_2TMS	831463.3362	1137055.138	1200319.747	1610944.743	1289784.635	799381.7554	1610974.412	538049.5734	1062542.657	5076428.015	635240.5292	4357147.197	815388.6663	541923.6801	323685.4808	444151.0981	629687.9424	114739.0592	247727.5941	1485462.973	140345.9041	1140422.224	739403.3177	792612.4524	148207.3767	348927.8946	385945.6536	406113.293	284501.7095	576773.4006	2061777.783	171269.2885	2216710.228	334576.4001	1104929.572	321739.4894	1115660.799	275548.6038	341552.4986	789379.47	1017736.329	232255.4903	403475.2914	216948.7225	852247.6955	552001.0991	108281.2384	83919.06405	785264.2198	193306.9908	2140205.371	186200.057	64448.93484	923525.2296	785060.7452	126247.6229	2100733.303	203285.8715	370241.0212	624194.108	553777.0059
Hydroxyproline	9842.477612	8130.079217	9783.023802	26852.62205	19265.73015	7833.056413	17507.07561	14738.44021	20663.88045	396202.4896	11083.46097	98665.62014	11926.9605	9526.686031	17390.23398	9817.053942	8591.550885	2133.696808	7300.499394	17846.94277	5992.062081	10193.16355	8055.09166	15332.68951	1456.589147	4569.129156	4730.050876	5821.692905	4809.645935	10862.4516	15668.24001	7566.497699	162474.6911	6466.800319	15611.5484	12590.02191	16151.00821	4151.923598	5070.524736	17153.62268	16406.8723	7160.869162	6616.79805	7904.248268	10760.59412	16895.85972	3126.967402	1981.308935	12385.45956	5052.87121	13873.03041	8888.378455	2080.938831	18470.2696	14615.04955	5031.093364	28100.09491	10781.90915	8578.795019	9955.730031	14444.06016
GABA	11584.82526	11568.83858	12773.2557	16341.71653	12586.24381	10925.07203	7414.984405	11194.12276	10555.8131	115071.7465	12195.86597	69457.60403	24369.23919	8593.926822	12769.49148	7881.006983	10478.11225	2275.983976	10520.4142	66635.04983	24456.6278	14977.61931	20877.5025	44112.25058	4065.660396	4470.614491	3389.484501	4259.146039	11076.00425	14926.61188	10857.17271	6271.557058	15029.29054	6918.148405	14553.94129	6439.916425	25537.71439	7563.631624	8005.7776	14940.62558	32766.0175	3269.09269	6782.261849	4665.59787	33154.97418	17906.5033	3076.756623	669.4103295	12303.81831	7256.680089	13226.60063	5590.218399	7566.284789	25967.4392	19236.89374	8396.627817	28290.50402	5770.711427	12896.61792	5774.582596	15432.89661
Pyrogallol	316.1945102	1416.831333	850.3393605	574.0024134	4339.46674	351.6154949	2322.822012	3769.460035	598.1018728	668.924431	1316.683734	617.5510109	1148.206366	461.1199402	2750.333812	601.8218804	1484.178558	449.592099	819.7823051	536.1085218	676.2223488	801.2303424	505.550252	1741.242176	537.9356145	828.2812838	355.7136792	681.4311931	553.3590975	964.418076	417.5073214	284.6928846	322.009935	314.0362403	5253.673321	476.5065484	957.0209176	636.8228806	2222.91031	959.8973376	594.2739446	2202.032168	441.65288	745.2363532	540.6742398	946.3655189	329.3474019	500.0886956	458.1022147	946.2964663	664.3720186	769.2794114	1624.89199	1916.500958	543.986752	1117.483341	3165.340926	831.6823094	6442.60643	605.6358688	523.6358694
Cysteine_3TMS	980.1206379	1327.775938	2853.994279	6227.392026	8151.916166	316.4814761	3497.809594	1302.012929	3864.71379	26506.043	1458.950593	8793.540022	3338.260372	3326.918905	3235.316404	2117.039773	2377.820756	624.9475196	2927.889878	6549.354957	3419.878723	6350.426142	4219.371076	2012.003781	605.3850788	1487.445274	9940.927561	2158.119504	2860.686617	1708.981539	5321.590923	2182.142004	4772.449879	1365.541419	2399.06656	981.7922846	3703.94797	1281.543089	1967.081187	5170.10443	5848.805326	961.2774513	1500.00884	1421.766177	3709.954995	1405.920542	710.3205144	794.6428679	1826.394128	1459.802556	4622.789889	2017.109252	421.9654666	4963.269025	3339.043031	1290.302229	4301.700385	1941.19972	1331.057507	1952.823854	2552.955006
Creatinine	38704.35609	32353.68607	23535.70334	58857.17733	58769.83389	21553.85909	119306.8792	39142.97163	46818.46775	75696.65786	23104.53372	87658.28573	63302.16769	79340.48245	26304.45124	21475.63	47921.14566	18523.31259	17270.85452	37685.55442	15870.44928	36274.68067	18747.31589	41349.25526	6609.700291	36556.69657	30641.06806	30732.86923	32318.02082	31381.66921	27065.57022	41547.19475	48319.78601	41871.00522	63919.59385	39448.26989	30895.47247	34029.2074	17322.16497	56631.5779	12966.73067	29750.87122	23914.81	62459.86644	71510.11666	38216.27387	8333.66171	22575.25124	27719.41025	27621.5507	23669.51584	22554.43923	2549.280179	25996.12656	30518.21854	18155.99092	32636.82502	58426.43586	35294.57347	44998.09158	35781.75319
Threonate	2839.657998	1068.906524	2764.542854	1466.535271	5021.531425	2250.46862	6673.339398	2366.286024	11286.46195	5962.530869	3916.87541	4209.870347	4750.340708	3536.613352	2454.788544	1725.263637	1125.746598	1508.392331	1922.939905	4433.762015	1475.39858	7342.811378	5554.118078	2097.266805	1387.607762	906.5388927	4924.350404	1008.95776	1212.072785	2186.151732	3882.191065	1137.411597	4000.843714	1203.446166	2187.519691	1259.272283	2538.678653	1597.123377	1171.363113	5483.249648	2530.044136	1822.551809	999.2826743	1803.893915	3086.674061	2155.764547	830.9443631	561.139043	1565.232449	1969.877194	1813.692544	3936.221146	2083.641709	1458.457096	4084.38891	1855.90157	6674.723013	3352.761657	4101.09877	3039.660498	4727.488012
Tyrosol	479.6953906	4957.880561	4575.070998	9512.610991	5816.208881	2157.938307	1736.155057	695.9539297	1507.968977	4506.668678	1054.889064	8678.64373	3066.768871	5404.038646	4515.86947	3755.465034	809.4602844	748.5227382	869.4959841	3097.336718	939.9735166	1509.834339	1321.435737	7530.998186	276.8856959	1776.464852	421.315128	1102.963538	262.5654028	2253.803302	1066.44207	1174.754557	928.1694561	2674.354743	2396.140016	8315.256587	10194.84218	1020.623653	738.0079036	816.4217025	1376.423709	5363.831323	1678.689618	1215.623318	2354.923185	1424.385077	434.4036346	6182.218889	2749.983311	1187.206061	1329.214914	319.1884764	14543.37611	4035.227403	1423.904654	3750.624173	4537.900994	2115.388233	7039.779598	855.5747721	2466.59669
alfaIsopropylmalate	2177.968511	883.8640756	935.3445704	1850.168435	2963.938381	1106.029896	361.149743	484.6715476	1790.566366	7991.843078	741.9326069	5513.576215	4616.323138	3221.514181	936.5012541	1183.782006	2059.860986	445.2384672	1438.440111	4287.416165	378.4206702	1942.122091	1285.9835	3137.176873	128.2085617	1029.353842	996.2481469	2130.774419	676.1462359	1342.638455	1008.36964	878.2996161	3104.351548	1239.596988	4062.923235	1697.639505	1178.192502	406.0277736	401.0202591	2131.917701	3858.08144	775.7386328	740.9637927	711.9346896	2308.10531	1025.151436	149.6866357	563.7567122	2343.885062	343.8764661	3806.898553	665.4750641	789.7209917	4165.29835	1587.305984	686.2427313	4387.144213	1391.144687	1603.745839	1783.640631	866.7241583
betaPhenyllactate	9849.297377	10586.01504	6665.339667	15618.20102	24910.98434	5449.445379	15133.20915	14371.46061	15346.34971	67532.07092	7440.156667	47896.96507	12920.72373	13334.05473	4978.881138	6856.510475	6704.621523	1582.267013	7533.253557	30880.8609	5955.812794	6613.482956	14824.03002	15104.87724	1729.722016	7718.469929	2761.876011	6082.903723	5038.308683	8033.561989	7732.277031	4246.362458	14219.49815	6355.609016	14980.21911	6362.920043	24530.17603	5159.330225	4708.157671	12700.70325	24872.16418	4680.649552	4890.230479	3311.275025	13160.9919	9298.520489	4838.058542	1074.80026	16851.6971	7156.135927	21864.12517	6483.425995	2157.748598	30722.44156	13390.59089	5128.59118	14515.17059	2938.674205	7206.420584	6713.498095	12839.97231
Phosphoenolpyruvate	36131.29821	62693.93671	71102.59475	60410.23681	58940.03468	15412.53163	47389.6725	33219.65296	31471.84564	76926.47303	42765.80018	90647.52249	59627.32635	33176.64776	17530.04804	46226.98107	36124.94504	6116.54632	17395.9354	58347.27495	26037.45648	46109.67792	24831.01919	52591.73756	5811.438305	19029.99321	29581.45553	32780.22781	20950.49748	24901.34146	31337.41556	12150.53512	72601.70679	15990.88082	48337.34143	22354.24757	28391.84391	16234.51146	12522.31504	26063.66363	37368.7754	17100.90731	14487.56425	19078.24603	47017.89762	26406.38465	8302.047221	4456.561172	33820.14932	10925.11446	52881.08764	13642.58141	4769.203937	30094.20726	56374.07603	7527.412214	74217.49338	15742.29538	35882.23943	20571.12532	23661.57448
Hypotaurine	20769.09319	10632.17482	19244.32526	19481.83418	68314.98002	8879.301019	33566.65367	17419.15647	32742.52349	66859.20785	38936.6461	72431.85366	46814.46455	17010.71371	10717.67393	15397.74314	16969.09412	2917.059283	12946.35572	26089.73261	25230.32674	13514.86247	21319.8772	19720.74295	5407.919814	8181.653221	26445.17183	13210.56316	13990.519	12064.84974	19138.33369	7511.221496	44403.76003	9808.954687	35777.09407	8391.691383	18859.25219	8366.536321	7938.157171	19438.31419	26798.8729	6338.057532	8854.833992	17623.07636	43088.21317	17497.21608	6206.591028	3334.561272	26870.12234	10222.89793	42184.62347	6288.707998	5484.139031	27011.58547	56709.53205	5593.685892	35671.87172	17416.34981	33293.55124	10821.24779	13434.15015
betaGlutamic acid_3TMS	1674.952563	4280.538816	2297.067116	2675.235557	5015.620838	437.9580085	2431.506382	2112.057663	1023.045589	2681.270464	1368.632591	40177.86741	4004.044698	819.3213738	685.5254758	953.3239551	1955.15763	538.42977	822.7554867	4665.353088	1328.67368	2925.240028	1502.726687	2446.928796	101.8271861	584.2470029	766.8963275	603.3961947	2536.909582	1343.851515	2132.313855	916.4311462	2316.445803	576.6541753	6900.532631	637.4537023	1644.139316	342.1078859	366.5766595	1496.177543	849.8543251	221.323023	507.0346918	607.2428695	1223.815899	1469.149587	543.3333499	954.460677	1812.003262	374.5782059	1786.915813	734.8031814	252.6592749	708.8908914	2219.74357	763.0205895	3558.14776	440.7547529	1143.331713	839.693938	2364.254484
Glutamate_3TMS	245199.1336	470032.4003	252697.2112	881827.2412	417189.1539	232025.8735	586400.8115	196906.0322	409821.4515	5209124.607	222840.5321	2448973.386	420125.8306	294348.638	185443.6638	166184.2931	132521.138	52359.9607	166339.4831	1138443.661	77378.39049	519144.6752	413928.4153	372489.5123	74103.68834	203752.6955	154211.9272	114891.1995	228747.058	280697.4595	695095.01	90675.32349	784104.5472	133634.8729	451390.2101	200261.6318	720861.1104	127322.3041	109145.3154	1033563.436	773548.2134	78874.43035	169620.7519	92357.54674	212137.4386	201731.2501	52687.91182	26185.65072	728033.0259	87652.59976	1690259.027	135199.772	28491.41149	474581.0659	388328.0893	85198.37281	954315.9998	153420.6524	156068.9629	434347.9725	309962.1169
gammaHydroxybenzoate	5762.998467	3732.414467	2357.2275	2459.103022	1683.210615	1392.455427	571.9533299	1837.287196	1078.80396	4737.314724	1221.536913	3508.402157	12930.1212	3581.132706	10792.50764	2891.478595	1820.583758	566.6320325	4120.879873	1423.949074	1613.47765	1799.010736	2152.43067	1652.189775	1809.247025	1354.307975	273.7389825	3630.873942	1265.374361	1049.715471	1085.149973	1581.52579	2803.124188	3201.632611	2606.627222	3336.207512	1497.615951	869.5727678	960.6457906	6784.75299	2876.184824	1833.143623	866.0764053	11133.66871	43378.75693	7266.060674	939.5809231	334.7735613	1951.093544	1844.302111	3936.423649	1904.058654	1652.970225	2792.962087	5585.045791	970.9806584	5228.388031	2643.89934	3413.232607	2217.953803	1986.418476
fiveAminovalerate	1948778.801	5631990.123	2408893.656	4295861.029	691760.2593	163442.6438	375817.175	6153140.87	422418.16	5875908.965	2783373.302	7318511.752	3759161.793	4111874.338	777505.8589	5474629.086	5608255.461	135890.6553	1045006.433	6085301.807	1990361.678	4903805.971	3840225.392	7319330.625	554627.3638	2778036.141	442339.3868	2382511.486	1753269.563	5182678.424	676963.8596	1437126.37	4641478.538	1100509.42	5796514.105	1426313	4783657.685	3239929.814	2087903.557	4450382.246	4233899.708	1220461.903	1006493.515	1107971.405	3046473.641	1875363.383	406860.3491	48207.9196	4565788.067	3702250.154	4990545.946	3295804.555	207173.1905	5224618.755	2958239.619	1020322.943	5064922.324	485641.3848	5096188.588	1827259.831	4539093.575
Phenylalanine_2TMS	163352.933	369684.2466	231216.6718	742462.2656	300340.7635	169575.7704	405401.909	257233.5144	300953.8559	1366412.674	282982.0431	1948528.176	227264.9262	159999.3019	102545.5544	235982.6941	97470.57194	21851.07959	232035.6746	684675.1291	103291.0764	306753.6087	273138.0779	330569.684	72341.60865	114041.2677	99489.68329	83810.35189	165256.8092	250479.3785	305045.6202	70889.53403	348027.0029	120009.2528	223515.9751	102265.0971	505328.2776	90406.73786	124206.2928	383595.2254	349622.2228	69541.10733	124374.2723	66594.06028	322764.8881	163901.8322	30688.05085	27529.86351	365052.5629	86494.26109	686862.5317	147921.2415	21836.23271	412475.7661	387378.9487	81519.09955	447605.4748	57596.1677	110074.6226	256590.5225	489223.5353
gammaHydroxyphenylacetate	16586.70247	38016.04174	20279.01726	12576.68058	84538.22532	6770.508403	18705.28938	6633.591492	8631.146983	78126.34226	58851.54552	112412.4769	43502.40163	6151.653431	8812.7405	50172.70519	69869.59096	1479.770225	10594.51141	162559.9636	95542.35945	145535.4283	128769.1627	53099.83904	17596.77085	17829.08844	4393.072439	30937.56538	5459.92701	150180.5101	29086.46571	8844.91344	82128.8804	23774.70378	186677.3549	25567.75213	246597.293	42753.36642	94697.04367	42254.41057	122042.0417	15551.31457	64868.21666	15931.06218	26113.75024	58015.45206	18556.54808	6070.857457	85937.51678	19856.797	43270.96169	39848.47276	5330.74075	96420.41274	81428.27751	17140.27303	122618.6123	3798.018811	41426.81975	11142.33229	87675.27783
Lauriate	6610.498689	7678.945348	5893.052406	7138.030067	9816.187772	10405.06063	3722.51574	6174.043878	5676.742291	7279.952722	5656.161948	9806.929897	23978.24843	27123.37593	15911.74892	5539.502075	6678.765391	10471.34111	13413.36298	10871.7871	7253.367767	7564.130084	8851.970537	15731.15659	5918.19681	2338.916786	2954.970687	10487.7531	10005.95802	3580.649996	10225.25224	7282.6184	12330.88269	9924.234714	4809.33033	6082.530704	11686.3722	14801.51401	27504.04682	15546.45324	11739.17163	29622.0332	14726.63577	17572.00477	9575.35284	11033.34957	13842.41913	9843.60482	4768.883368	9368.040241	4569.491576	6486.187725	6559.24156	9059.149137	5442.749969	7586.642042	6420.449573	12107.1743	3395.723101	8404.64553	8579.667988
Tartarate	1861.179779	3817.293501	2974.687915	3369.754135	171.0471691	309.8788229	1983.075579	1415.230919	569.7130967	3999.026279	1898.636529	2263.557174	2670.544785	2666.026055	1008.416297	2465.513612	1901.811759	159.5555668	746.6874852	2339.315676	387.2954819	1832.944754	821.5382749	1959.665824	200.7762801	1931.03119	548.0806941	2915.611327	313.6105925	727.3697884	948.0913151	724.0690444	1844.40912	658.1952862	2151.625504	2076.618254	1409.760189	977.64907	409.7061678	1429.541579	2433.582525	1057.398701	805.5333089	467.9719783	1763.182253	979.356389	115.6503389	518.620969	759.2874835	475.787604	1261.184946	1048.440633	433.194369	939.3126385	1192.565048	409.5267663	5646.708627	888.8941365	742.9090592	1085.779358	603.4111384
Propanediamine	11970.27879	9679.273205	14091.20441	26052.42094	8159.213932	1950.241915	1295.977445	6020.29109	2532.424995	200010.0591	4285.8915	85760.60699	61653.15945	28671.5153	3413.512697	14873.60591	9105.26907	2177.413519	8637.068089	42459.59607	1676.984037	10217.88575	9981.705853	12829.616	881.0131832	3954.749303	1682.591644	14393.95227	21359.077	6445.121031	922.4526194	4564.765996	24818.31104	11294.53312	12930.53912	2987.227233	6965.188961	6025.745225	2257.826022	48469.37927	53686.95609	1416.207856	866.2513923	2293.176235	14678.42672	2954.230832	556.5165967	1253.322334	31133.5868	2466.99231	69456.69581	8646.145237	599.0606702	22162.77414	1395.122318	2363.058724	87998.43149	9392.262357	5437.879751	22444.67615	9490.715499
Taurine	230877.9308	213391.3447	260296.353	838055.6086	1211109.492	233917.3919	974590.0913	167942.3365	791964.5879	1069098.956	414396.467	1640453.495	442835.4695	136739.5126	170246.6088	123765.712	283824.4914	42765.52367	486377.7558	921759.4887	392517.9193	275081.2632	131281.6263	362432.8454	80053.69081	103272.0601	297254.0094	26805.38085	15459.2806	305161.7996	215449.1235	71808.16026	590783.4416	154555.2214	458616.89	279582.2249	898383.045	94150.87983	173650.1426	440104.8531	374023.689	71421.31148	165466.1228	228824.1031	1005332.619	629073.1512	124942.7245	69850.31748	183078.6875	92927.1165	447622.078	193461.2814	147984.1535	439202.6088	815038.0128	221370.8353	945680.6034	236729.6378	202065.0984	138935.8416	618452.8098
Cysteine_sulfinate	1374.155319	2574.02592	2612.771478	2732.111217	3278.871158	638.6387357	4270.615578	1957.088096	4509.040923	7314.157676	4274.379531	6723.670984	6213.597471	2839.030107	2292.076122	1357.918227	2081.132445	1192.056638	2340.78619	5680.783095	1229.38792	1407.191599	1932.889793	4232.046192	941.2373476	1288.254543	747.9707547	1765.601782	1386.189287	1365.266918	1780.766101	1209.551313	3293.587059	1179.071118	2578.232113	952.6223309	3779.750396	1248.77726	1451.389125	3163.280517	3468.79984	956.5059284	1398.159706	1980.194902	4193.869574	1872.586709	601.6967651	706.0743963	1856.14154	1151.95725	6198.94488	1368.440633	1076.951289	2794.947599	3507.814829	1744.754299	3086.035266	1885.661397	2428.182555	1301.148456	4829.319741
Ribose	93115.79667	54742.36594	62443.65104	77572.63814	414497.2231	81229.85476	113161.6127	14794.20845	286998.5749	724423.9909	72535.18591	276725.4175	165509.3701	94670.11407	38885.88008	27760.34814	33125.75575	7077.83427	79244.12856	297372.7912	19668.30479	76419.3872	121010.9285	50515.23466	31406.85331	50795.45603	91214.83827	27620.52052	33550.0493	122063.201	333124.3951	13656.83199	122063.2276	30535.25587	124587.5991	18897.95648	336378.977	33202.17577	28857.96608	253378.9721	178954.6917	21135.8903	124638.7735	29805.50432	51672.36055	40889.1953	17028.00963	7787.837608	65519.77414	12209.88723	140930.997	29998.97407	6043.248038	75316.42229	209376.6905	11434.20599	211461.7114	32053.68221	45076.63962	41598.48619	79104.17721
alfaAminoadipate	7360.507682	6964.367052	6756.25498	11208.76867	21035.23735	5829.186497	36112.52816	9964.713384	21566.02056	26438.808	11037.35796	29803.79802	13861.84515	3708.707848	4256.874524	5812.119219	16031.58443	993.5676098	8589.566934	17955.80817	6148.313901	8352.316903	6347.522078	14881.16297	1795.667802	3901.211893	4656.068733	3913.395355	3762.569244	10855.14726	5457.767383	3940.945166	9231.995924	2875.311898	14712.62613	8017.155379	19571.39342	5173.861734	3501.150518	9248.020313	4721.649752	2847.099701	7321.339176	4854.353735	16365.68369	11542.08351	3763.649544	1496.370181	11713.4174	2207.005105	9005.59979	4076.85795	3240.828205	7041.048518	18791.88057	4922.949911	11878.83511	5488.325996	6334.43684	6369.015512	12443.96451
Xylitol	16064.40777	16099.19071	22916.76371	26230.20765	5561.409293	16272.05394	73895.1727	28771.34972	11332.33621	12478.30001	2079.091798	65806.60329	7510.177447	4771.625257	102071.7539	10097.57717	5520.025414	2010.512207	5238.249747	6968.822199	2069.762131	8325.333124	8489.006582	7452.235763	850.0532267	13987.92631	123957.5135	3802.889978	3454.859206	11380.06045	20592.99586	5752.248519	3647.696344	4207.335441	35630.70581	35534.40351	3820.936645	2250.691332	19975.57901	1490.793493	3866.500761	5219.4618	8247.031812	7281.768972	8353.259642	8014.783619	2409.302118	3204.666767	4685.410126	1881.555965	3136.523708	5659.829529	7642.679955	2883.438301	5408.59315	2766.81724	4011.754833	2983.307985	2758.250246	2028.886243	10097.73079
nAcetylputrescine_3TMS_2018	757.4095026	2067.407402	1312.620288	304.4516064	1792.15842	722.0071375	2490.490672	1138.506748	119630.0397	8520.583428	720.7706592	2619.245774	6029.089371	2419.797793	6365.963437	1703.895355	265.3387041	421.5160112	1317.633186	1395.539388	825.6262707	944.1407413	873.3370899	782.1255461	2742.895374	3495.914951	3123.71159	3033.262997	397.7670726	1298.379756	892.9415658	1629.01899	1951.615845	1136.568741	3888.984744	6707.956989	354.675941	383.9697198	1269.207143	1666.974521	1520.588485	934.818538	81.99815617	366.103923	636.5264487	1023.715638	594.2649023	525.2957352	1053.990338	781.8141221	322.7270021	664.2614576	416.7961131	1816.282393	91.66939154	203.1360902	252.8161247	925.8936362	407.9257015	436.841475	667.1556982
Putrescine_4TMS_2018	364889.3562	1240197.257	670927.1631	1869078.385	223590.7823	45318.03542	496572.6333	1159759.568	95062.94218	4845706.526	497584.9926	4701486.068	1372451.656	753589.0295	90110.98771	953265.965	1165965.666	41883.48996	296525.6255	2995810.188	502357.6266	980155.7872	831978.1683	1646564.983	55476.26524	670456.6589	321466.3747	682571.0977	474335.2669	1144673.878	261854.3188	142845.4636	867290.8929	278667.592	2406223.613	228515.1098	3014674.937	1053311.275	1010134.561	1233292.092	2315009.85	185504.2788	347469.5326	157564.1999	536749.7673	331713.1902	75416.18213	31554.97225	1188138.779	550016.8341	3265454.454	622866.81	8583.263486	1704726.295	1016291.055	438404.4523	2864222.988	264621.1727	310959.3228	264991.9717	720192.4108
Dihydroxybenzoate	2624.019659	5641.245058	5931.231995	5335.847956	5616.05408	1523.476474	2627.607867	2963.652356	4786.886437	20954.45744	5296.271498	6286.010989	12403.35482	8159.621019	3267.084794	8765.642141	15053.13798	2024.277544	5878.903281	9298.53157	2632.621118	4693.752841	6491.421208	21472.18518	200.2909199	7504.807861	3738.09097	6876.882469	4449.469223	3218.359771	6397.870143	819.93665	19470.79353	3296.945023	8009.07483	6295.645926	6081.605103	7097.345967	3048.306738	8344.366139	13325.45695	6831.165069	1425.277648	5252.916023	6632.056607	4146.028701	3225.390898	1609.9965	1966.013426	2923.047203	8077.523545	4120.500531	2682.925128	12421.75699	4045.688621	1906.223764	7208.553874	2448.721233	4700.062082	4328.489931	2746.626392
Dihydroxyacetone_phosphate_1	14234.54216	16455.27041	10960.73143	7044.063553	19777.89058	7344.133478	2109.157858	2592.082866	10109.26792	6324.418961	9109.040888	8879.831538	58015.73878	18646.97625	25440.33943	13503.09685	12390.98822	5310.056184	21332.88032	9454.093694	9071.457977	18005.89609	16175.51263	19411.25674	5083.476028	12067.2045	9628.579852	16848.63633	15984.99225	7033.294197	11534.52682	10515.66718	21548.9288	21147.07379	5892.913947	7725.26525	14997.36333	15951.33103	19977.84003	16882.57801	11896.29704	9489.726776	10374.04493	17021.54362	14126.44865	6383.387913	7315.69602	8341.756912	3723.453667	9197.796259	5552.679199	16949.33029	5581.387816	6207.653282	9350.442354	8902.313509	6521.049003	29478.04683	5129.605944	24990.62457	15168.75716
Fucose_2	210943.5444	619243.9731	258329.5536	673943.6875	316693.4888	127879.9491	1235253.567	279064.7832	82459.55483	2175507.104	127548.2036	1629188.215	298438.5655	406742.5793	93677.60903	428288.0275	214821.8102	16382.38392	41831.34517	784617.7864	62572.64315	288119.8966	392112.9992	560279.1957	35333.19508	488186.9864	43344.00606	239639.3764	169321.5013	391152.0572	215655.7395	134342.9341	347095.3509	238597.8873	1008302.63	305733.7818	751656.6808	232398.7567	86108.35876	1001134.663	672792.6589	58564.66646	97228.28385	78581.98373	164300.5291	91472.13209	26844.45989	23703.85481	685372.8841	73733.91036	667249.8093	493278.2715	14503.0522	123958.5771	275943.8966	198006.3391	885140.3167	81519.14148	154201.2292	324076.8472	218272.7833
Glutamine_3TMS	135720.8254	234861.435	158829.9111	1138733.974	103248.9131	88095.65167	168324.5682	153526.7714	115569.7585	2318942.789	79013.61428	3931807.584	189107.5882	78245.14617	68750.18406	143099.7875	118039.0612	19443.42042	82475.39628	253198.3378	62587.76347	458856.8294	211746.055	167824.5318	69450.58016	103176.5563	55471.09164	114697.1429	198415.2229	166105.5682	528672.2982	46842.50451	375432.6328	81690.52356	202328.1037	104203.6386	265754.1622	41747.6212	112431.3941	493447.3805	642362.5165	39225.86865	194799.5908	58523.39997	164644.4572	115509.7606	20764.23943	19126.36368	443343.0454	58551.44194	1122836.667	97197.40926	127476.6663	612241.4677	78181.16673	51151.84307	182462.5606	41114.08845	31131.16671	252897.8773	237468.1518
Phosphoethanolamine	557582.4794	18553.64183	233589.8457	91539.95676	331545.0456	389076.8747	3391545.082	170273.1706	868320.5751	7693.392682	813487.3456	14862.31486	367755.9045	105860.9986	570501.3789	582184.4955	451894.6338	277000.9322	107101.2903	68691.63983	80310.19457	128268.4429	17782.40578	139466.0331	25282.43717	486967.7549	674802.4933	147365.3452	164299.8988	49213.34965	82601.57002	191240.1047	33760.40759	85255.70206	4946.344492	310650.767	102268.8396	201201.1831	296757.841	7699.496894	97523.20774	731567.3781	247951.5047	1308816.616	818817.5177	296203.6295	10552.69495	628254.7873	19077.43271	330202.135	67006.70644	126531.3609	37730.50953	5742.471932	145508.0667	403578.9264	20221.42964	270784.4707	329827.1439	15414.03592	218231.6028
Hypoxanthine	137757.8375	88700.81358	134313.3109	222963.4471	405243.4348	81288.11046	217173.8578	76126.96044	299970.3891	570402.4142	121758.3184	404006.5989	302800.4281	85349.79243	99200.43926	85997.84435	87690.70231	17197.56116	95462.69283	270299.8244	44534.75118	186778.9045	126359.8944	96381.26772	41522.37199	68024.84104	153863.9151	64401.53229	97626.01001	125815.5929	287960.6872	44975.39721	252972.8187	72487.07945	110247.9419	69872.74117	202965.7233	46890.41961	67340.93342	202616.0491	147060.7186	24409.38241	111018.7793	79673.25802	198924.2558	140203.6794	17721.84016	26277.48613	128234.494	39178.29376	184883.7192	80698.74349	19752.39566	89236.49399	236602.2833	28864.83815	353234.2275	99069.52171	90986.34953	101926.2553	124627.9278
betaPhosphoglycerate	35898.96006	8631.694095	25477.29084	14205.34969	106228.5327	15928.08939	40210.47768	10185.83868	51492.45728	37410.57714	22423.12809	17763.5111	67674.84134	44104.32961	54628.72403	23698.29977	10322.97546	3954.348341	15545.5438	30580.16243	6327.766764	27488.18118	6632.076916	9240.359725	4567.555424	8785.313529	12836.56334	9825.274706	4456.502888	13676.18096	11353.93688	9891.77619	41238.83327	6727.112345	12342.32927	9735.451256	24305.52193	15705.40933	14868.48082	59362.47744	47456.14044	11687.79256	6995.975399	38856.32732	35257.97412	18564.03262	5669.952084	8675.477226	15674.1778	8282.160087	95574.88024	14204.82396	6053.598106	6366.501207	17444.1651	7941.132546	37147.86952	24024.79488	17205.10116	28823.45217	37886.3709
Glycylglycine_1	8561.278833	14144.41415	17349.4739	14753.91422	8254.352273	6640.05046	11324.33865	11479.46621	5335.765433	22862.3664	7854.106604	24610.55684	12408.87982	9837.831827	4714.282648	7142.265965	7162.64559	1743.106498	3981.744007	16682.82874	3148.14224	9865.954079	4475.038344	12665.00089	1826.715055	9385.406017	2937.293127	11147.20967	4802.459631	8921.246034	13947.32586	6786.028421	17513.90651	5316.153905	14505.57952	11644.64149	10714.93358	4099.305159	4159.420739	8620.798845	13916.49503	4360.436127	4356.119874	3208.830149	8809.896602	5935.398104	1807.352715	2625.525724	9170.902064	4831.435417	18503.12058	4739.513459	1805.612059	6351.290234	6410.90754	4880.312461	23211.62895	2836.715029	5293.335827	7251.354946	8988.405513
Ornithine_4TMS	348525.9731	640044.6468	300376.7494	879646.3372	111742.3667	134703.2368	1264984.26	535695.553	254515.1144	1223358.23	360829.7667	1884687.859	464140.763	428628.461	141961.1406	485031.2721	588959.2742	45740.4147	124125.0609	739261.8191	186663.6284	728402.633	321702.5685	508132.5464	47234.32578	295914.5492	78044.90903	212856.6083	112158.785	362505.858	669506.4754	107273.1525	820847.1787	181268.9747	839653.4972	128343.9841	629331.5923	173267.7596	145670.0515	730560.5855	763512.2559	72149.09785	138276.8524	59533.74226	286677.5292	221743.0902	29058.94387	48119.08405	455808.8713	161532.2821	1070449.889	281355.89	40339.40451	598142.7398	448653.2681	170117.6471	1118255.657	123240.6444	175422.0676	438272.9963	469588.1694
Citrulline	60088.96095	87892.99753	61055.79732	99271.6577	27202.42254	23836.40725	68977.55444	42860.84403	39116.2217	116705.7463	57057.18349	146843.7187	69739.45895	44666.29932	25358.01834	44504.36191	40073.7004	13167.02527	18038.33768	54304.21987	9481.761675	51876.64603	20581.00593	60187.10815	6805.644596	33797.62246	9696.46597	32902.45498	23127.26621	36903.71962	56249.15341	16687.63759	43085.43625	20229.84039	41377.29765	30454.45651	43580.91555	18753.47671	15163.50358	49695.24402	58254.73406	12162.8106	29510.3545	10333.71872	47408.35596	25098.95962	5251.698404	7282.19989	56359.66121	19653.59325	86625.31237	32262.67002	5484.721066	32339.70775	38177.44323	19123.0128	64845.34692	22153.92235	33000.82526	37322.50646	47502.70216
Citrate	267721.5854	474164.5994	772664.4192	498681.3817	97425.89903	140356.7009	1362529.602	488417.8585	318326.5527	85804.87363	794924.4234	133089.0275	634584.4056	659822.6267	885890.4598	265456.4315	187207.8478	978713.7638	35108.89491	96952.67831	60391.21441	480685.8083	27604.42193	316013.8985	36580.75347	301591.3946	85371.97439	219673.2294	58466.30044	186244.9602	286109.603	247054.0204	245532.2379	142872.4908	106561.0057	313420.7817	150844.0851	487781.2202	27014.48652	193160.8519	71899.60851	483794.7211	174327.4188	285882.1911	214993.7145	306424.6693	12886.51655	296603.7698	152758.7929	525212.5089	79864.11016	424610.6894	25987.66164	10542.35145	677958.3992	497333.0006	344888.3561	279412.2473	358902.9757	596175.5001	310685.948
Myristate	10283.57759	12540.84155	12082.84809	12058.19297	12749.17699	15489.36976	9956.109138	13831.45028	13811.77628	15369.76738	14624.77499	14045.14455	36032.10473	123185.1399	333105.5843	17316.48619	10106.42947	12143.79078	16302.21467	18092.15768	16899.46198	13274.77784	12339.82641	16297.42725	8146.880956	8302.206137	5708.254043	11915.64747	11266.34141	6069.117434	16735.16876	7246.98884	14054.4644	12323.29401	5972.236007	12576.27274	20842.29716	9338.935178	26325.90666	22360.63778	12446.989	14893.83442	12848.28309	11906.12653	14647.60375	17742.44071	11772.3578	10237.9381	9102.387854	14903.26773	8946.794242	8852.254203	12594.84241	11627.602	9129.462301	9177.272205	10860.78226	12800.58035	7342.471546	8651.102531	22680.14851
Cadaverine_4TMS_2018	254562.58	151511.4686	229366.0231	516477.7515	330009.9012	123012.6808	516578.6114	291604.8742	396210.0006	66449.4304	900258.0193	236809.5757	351994.3257	112959.2221	61365.02652	330127.5175	814959.0455	61969.7866	143161.4974	1306625.238	360266.8591	183212.0994	308493.0828	1076844.23	39150.12097	123892.7342	684589.7911	43011.30894	118493.7959	186408.3335	81249.72817	72279.97051	132882.0278	89244.37248	241642.3255	139652.9583	2126146.197	365800.2707	132211.6953	638471.0173	488670.274	22441.04547	98544.2835	113910.4482	764202.3076	219052.0439	186550.4109	9881.677916	135751.2516	180200.6548	164373.2693	440632.0371	2894.03862	348079.8586	756023.4851	49420.68931	417283.5806	49220.55233	343133.2511	60423.61886	553862.0855
Phosphoserine	1202.054036	2710.946604	2100.122587	3814.784051	11087.41738	4418.861213	9605.326778	2400.310496	4685.036888	47871.22344	2195.663501	15332.87838	6835.463528	3272.996821	924.1732576	2786.095537	1557.045377	479.0343403	1886.563823	11084.59702	1115.189447	3046.391976	2019.252315	2434.29243	751.4266528	2445.104928	1681.014825	1779.50035	867.3572279	3102.68342	2266.000174	795.985764	6607.715705	1176.742488	6752.440356	2081.158844	8549.947518	1527.626209	1685.163323	9024.047995	10174.09171	1388.778225	3766.29226	1586.125061	4329.611015	2709.578728	841.0962536	814.2337883	5333.987829	863.9628696	17783.6679	2075.322159	834.6915161	1912.22922	5685.036256	942.753051	13932.99366	1086.820092	3655.736814	1714.083209	4149.140016
Caffeine	19451.0241	69807.25796	55635.52968	161535.4216	34773.07064	9842.497989	111292.8435	153654.3972	3684.858818	16801.44851	26150.09992	97668.19721	40021.80135	95146.045	111409.9956	8811.156766	18583.04128	158659.8473	2114.314551	96394.62948	1645.772157	172423.4778	4822.065167	300148.8976	6527.258184	25547.57345	232.3314016	128357.9765	9934.787497	55612.45035	29742.13309	8838.266263	159864.8835	1371.429306	42254.23267	78160.60745	7608.78186	12307.64526	34496.28333	129491.7415	63208.98686	129576.9667	5904.804819	113451.8335	2725.18034	52975.87271	6006.664515	49975.86121	11803.93249	179145.8498	37170.05741	11769.62097	11089.60259	33726.98713	21517.52101	96308.10851	76237.98392	4668.126876	72323.88147	229150.5647	17148.57466
Alanylalanine_3	6785.07961	3325.353192	3864.659311	7993.05043	26202.98042	3273.175469	6530.178623	2034.562798	6715.30664	36178.63951	8645.685674	11812.73274	7782.361813	5939.060774	2459.35983	3013.582633	2203.694677	918.1518228	3699.097393	14644.93198	1888.740521	2424.630045	4361.292214	5340.984645	1461.750852	1575.74606	6457.382749	4922.859434	1143.772681	2942.978192	6798.112987	1504.356713	8802.272322	2460.187627	7101.143897	2225.417113	10384.09964	2938.831905	807.6771547	6710.039457	5197.274019	1842.05382	3415.610927	1512.354412	4572.581118	2768.947007	1877.572929	652.259587	5567.946797	1555.955293	22240.48629	1579.265784	1112.384702	4131.551617	9428.758249	1434.865856	13020.56047	1490.415249	5708.156625	2247.636413	2926.18564
Anhydroglucitol	7553.854611	73848.31647	25046.31729	56795.05254	23902.10339	73935.93483	159433.3593	26782.333	3320.474683	42578.0259	4022.646857	68002.24422	28845.96202	74186.09487	11640.33693	60151.53325	3798.610875	22051.44743	3105.231523	28630.09359	6509.760612	47786.80041	10853.04797	54374.97254	4346.907619	50584.644	14175.45485	55043.25803	5829.261009	15353.53101	6722.779761	31889.60012	15558.71099	47185.74036	7383.905027	67777.40407	3229.670291	48514.6037	7357.362813	67656.49419	3177.558786	30750.13919	2103.48686	72687.9514	61996.81265	29138.99609	2547.411803	34561.78191	3857.765732	36709.70283	12348.77491	37390.66815	5933.859225	27140.88273	4029.738803	45969.60244	7630.50502	49610.21613	1981.641797	42487.91332	18062.67195
Adenine	27242.81353	25596.19474	19636.58188	33957.28292	38233.64913	17028.31317	34139.37359	12813.5489	51121.135	14292.4079	25328.04691	38961.93549	45974.68455	23215.72773	15873.91277	14082.84587	27028.18151	6721.195233	15178.30546	13845.95253	11528.92028	17630.90667	19439.26924	22269.17044	6558.267911	8963.707557	16944.03639	22329.85046	12851.38489	19751.69244	57098.51831	7895.341282	40082.57802	13983.10844	30502.66824	16977.40407	27358.77257	15520.30882	13063.42854	23599.12871	22255.63175	16917.46572	21546.82697	13444.76119	22007.23657	29145.86034	6756.342511	3681.963902	21762.29876	6194.372734	31141.30552	10726.01881	3831.498692	9002.07712	17438.53469	7251.139784	21756.22159	18144.40664	13235.25936	12097.61532	18686.87433
Aminomethyluracil	686.6263189	311.3586732	1194.49382	276.7447333	192.6401126	364.0361411	872.6972939	290.758068	294.4469134	284.8980762	599.8809972	527.0844634	2001.19559	1463.505828	11498.08698	16875.19482	1586.241915	1312.165478	1405.359681	1032.352949	17685.70886	3834.442442	1058.06269	888.7781099	83.2616205	127.6801126	152.553841	103.0332803	170.7072337	108.1398916	134.0604372	142.6390421	192.0400459	163.2307811	907.4155565	339.6412373	804.4235743	781.0171956	1198.123155	1821.023886	1234.15904	2605.189195	1607.223773	547.7044114	34464.9302	1861.617895	1788.767348	159.9660017	464.5134576	3601.820394	1963.553588	474.6118811	1205.497446	1080.975828	620.6994355	632.5513489	704.8964484	885.6545928	913.416757	621.9654375	581.7590334
Quinate	2029.704992	3748.133769	2128.571866	5086.845995	3539.229513	1296.535227	19099.87582	2917.709087	1413.637682	1202.287439	1090.564527	4941.981279	1411.764764	4910.128031	1281.163037	853.6138043	31305.32549	671.0894661	1296.53322	3218.164778	727.3705771	10185.77227	1823.350305	9456.479906	851.9363057	4100.528287	531.7548518	1838.729367	728.4968435	1762.59399	3279.702417	501.3400107	27173.37409	534.0943275	4649.904442	6739.306936	1448.75474	479.8844939	3307.71047	10889.7823	1797.728848	1615.407774	532.3736661	1590.089287	3290.414738	4778.511996	319.3458626	1555.627219	792.0749859	429.7847188	1585.893713	549.5635638	3961.758067	14536.51639	6668.417012	1896.311862	8383.479694	346.9484691	1986.925465	5862.716016	340.2884148
Allantoin	1580.268281	2247.833174	800.5832056	4199.138217	4738.71686	22154.35345	41202.15445	3047.451895	2987.328835	7568.579404	5641.776582	2581.708746	2653.32371	2625.973696	1973.097398	3146.934521	842.5573529	552.3693533	11028.25237	2394.739621	1762.046764	992.3165896	735.9770565	729.0940957	683.4878783	3562.745482	1916.294474	2766.368947	2842.329018	2276.100022	2574.760702	2195.930549	412.8248631	2248.802529	879.4279243	4119.040921	8147.385179	1044.756605	5522.522135	3124.670094	7068.710072	1679.048356	4822.275488	2344.107792	976.9864984	5185.441193	9814.786862	5018.611069	3790.540435	3109.146878	3850.102935	3742.681417	1582.051576	2089.977347	4270.416259	2576.860915	2327.980419	2114.202522	6243.827618	1799.57035	5062.898999
Fructose_2	1384.930143	1172.337392	2468.286853	5039.699331	1009.942452	16996.94315	7993.591232	868.878007	3978.310864	3284.9873	944.1148017	9859.684007	1736.772106	12287.98604	3275.566482	1086.480113	2677.834225	1103.548915	1626.614037	2779.333359	1475.378325	25920.38555	2241.715203	6368.976776	5726.656792	3213.293121	6054.567049	1380.673242	936.1285647	18233.9387	56682.28064	1894.913186	2997.132595	708.1015756	2023.344149	928.9141314	4789.711473	918.6719807	2144.108849	858.2882463	307.5676134	3818.179194	1922.963262	3958.645544	8463.282973	7020.524311	455.0862732	2453.642318	1009.135328	3165.034183	911.4208598	465.8848157	1152.625888	1286.328944	10835.43846	1375.633033	7644.877367	1493.436062	3198.968797	542.4836032	2462.426279
Galactose_1	136574.1573	656511.2973	708098.4779	533379.9588	2955422.31	149126.5888	3839204.644	333036.6823	1867335.898	1448259.525	379728.1228	1345781.77	601822.9511	645940.5348	68031.57671	461368.6874	298280.646	14820.12547	46172.53207	398145.1252	44619.68022	305223.7285	295136.5365	990917.0435	42866.90367	926497.6752	2505348.72	350650.7668	129937.2799	425596.3628	98184.69539	171996.6444	549702.4073	222653.5071	816465.804	256230.4439	620289.8827	401712.839	187027.8625	881953.5729	791265.2919	254014.8469	74574.02725	132145.1686	204915.3567	110859.655	182193.401	48360.92195	503984.9426	95634.57645	496223.031	386069.5873	5604.978199	75661.91531	712749.2159	449488.3326	849019.0319	70690.14409	134367.2289	359984.0795	1336880.498
Glucose_1	424848.164	221844.7781	507937.7873	418510.1312	3837244.742	549384.7684	4209066.886	88135.30753	2296207.327	677707.8335	1427096.115	421882.4983	707537.4928	147379.0189	935026.7424	1048305.839	993087.7162	230857.7763	1213941.067	2184623.546	548202.8028	1412960.74	1406188.172	610958.4323	436591.3198	689350.2224	2772041.442	388057.9828	788541.8667	1012831.056	5435449.671	1367936.548	26906401.73	665188.5779	1279873.777	364319.2172	3535757.728	440979.6962	285673.6531	295774.5609	613997.9553	281057.7379	716548.7542	941715.9731	998060.8657	589878.5767	207839.3207	397444.4278	667126.2187	199394.7741	42374.41497	890842.6643	33425.82783	63276.72201	4258695.772	217069.4552	3751487.087	721142.3854	1961526.36	777350.3538	1589166.195
Allose_2_minor_Mannose_2_minor	93839.82672	114414.0963	289405.2508	150534.4663	280164.25	134304.3542	892047.2622	200943.5841	278709.3259	123080.7997	140854.1566	327998.0087	59900.32105	46139.27071	77394.09746	131138.3463	85425.89425	19404.84241	89988.86294	157403.9635	44972.37983	154233.0538	137815.3656	102677.3971	40393.44295	799532.132	230744.2722	66489.80974	91215.59167	145962.0794	475966.41	55123.6139	112135.3203	40393.76976	249833.0852	260034.8571	207274.4896	30863.81912	96139.92297	109569.5598	1631408.124	62751.70636	556251.7207	54722.75716	84184.63186	82183.33146	18082.30592	31592.0304	73030.17755	19919.87857	36138.71149	99758.57406	12212.23371	37580.01543	388350.5708	24231.61047	333918.3775	60367.42045	163426.007	69722.19009	147727.997
Lysine_4TMS	546236.2344	889612.6661	760230.6671	1927579.064	755549.2675	615502.4206	980920.8398	819820.9106	574091.4812	3238140.073	1301610.141	3926090.496	941436.898	603738.7521	312783.2782	659147.8595	672191.1127	61394.91572	440828.01	1872983.972	332878.4069	802293.6134	521342.3456	864075.8284	218233.8419	660819.4225	216729.0768	493624.9952	439972.648	640021.0837	861210.1865	213748.6844	958631.1043	295568.4067	634262.0402	304991.3877	1650545.665	468172.6575	826498.5243	944226.4348	1437987.183	241377.6678	613747.1932	166889.6048	745707.707	378299.7739	208368.3309	141687.6156	814323.7091	255210.828	2243029.78	476114.6144	56937.72518	1339106.32	1204202.233	278956.7995	1780930.116	258376.0256	482447.6607	630381.2764	1129300.359
Histidine_3TMS	6868.200692	9997.697721	9882.386352	18354.90975	24762.22451	7788.327507	7893.693756	6227.314037	14690.23772	186981.7176	18152.82482	27675.09557	16157.68647	6258.008602	4328.217134	8754.882097	7013.642706	1898.466655	7584.006395	39273.89388	5239.500209	8501.687329	4863.216889	10314.24849	2912.56604	6027.225615	4264.812332	5302.15972	4937.637945	6720.307761	11502.83774	3412.916084	19262.72831	3423.865114	14376.73016	4321.014116	49115.41571	5070.025568	8551.303086	32441.83667	21479.06142	4347.112073	5804.703535	3399.276731	7857.285141	4290.274895	2661.748306	1889.851507	12663.3189	2887.47626	124764.4991	4294.147517	1256.21328	9354.44674	16315.59403	1130.312211	48544.71252	5162.594557	7739.97033	4782.105729	9479.307784
Tyrosine	771625.2169	1618734.389	1017717.744	2818277.44	1420076.898	1433232.365	3106144.371	887469.9396	1365500.473	4624028.165	1536092.221	6380707.714	927430.8753	631331.0977	520804.4425	1242682.927	622930.4802	156498.6521	579934.8964	2120015.662	482040.3833	1641538.124	1021410.721	1077437.981	300391.3494	643332.8809	414292.7224	485583.8626	599388.0117	1196970.348	1534817.432	433334.6213	1300343.905	509802.1436	1044346.554	533563.981	1910324.185	344885.2459	717947.5764	1477423.482	1570867.017	319059.5938	640283.3942	357315.5936	1546177.089	913237.4636	209502.0234	352264.9868	1559275.739	406640.6252	2773779.596	820056.2709	87605.38184	1813751.214	1524334.713	492290.5987	1681329.737	330059.8359	550946.2583	1106757.722	1900756.906
Mannitol	3333.282329	5048.625484	5862.059454	5916.219016	840.1065514	3524.766348	3353.493473	2562.001084	989.9620405	1046.90557	1847.15534	2928.365383	7018.101093	3951.611045	2474.677981	4261.31262	5437.283759	1689.726134	2576.296389	4305.883066	691.1139974	3230.253115	2618.464454	3374.814134	350.2469758	2199.224911	1889.971698	4427.679033	2196.357676	1548.259099	1888.169592	1858.100008	4214.719144	897.7692446	2405.077426	1746.565765	1975.712528	1950.946007	8728.185684	2251.502969	2090.623644	3370.0897	1694.978973	1970.584999	3519.078983	1293.577629	492.786812	674.340183	1797.157664	471.3742019	2278.766775	1722.904738	3358.003737	2392.445296	2111.370719	1396.029849	6408.574854	1137.509506	1865.330292	1771.717581	1742.197722
Glucuronate_1_major	1879.295223	5722.372361	4090.058229	4633.213334	5546.792652	2376.988928	32321.36689	1819.765364	5623.970238	12523.63636	9819.114116	10880.25407	6320.687887	4364.196223	2390.513009	5131.835847	6165.76083	2089.945832	1782.299112	5458.336554	1864.431532	7873.684194	3906.813054	5943.711198	724.3037575	5052.232527	8778.146563	3282.376328	2009.7074	8425.241438	22587.11885	3100.997026	5105.883072	1890.633562	6053.985825	2817.575294	14545.56412	4035.099012	5608.814967	3573.222141	8199.793532	3605.88205	4611.096826	5797.407146	6476.352649	2831.147914	1148.531989	1942.884856	3163.435598	2139.918464	3249.436044	4523.024949	365.5279432	1802.221503	11994.44988	2404.556141	7066.206104	2672.954773	4055.22221	2374.708804	2177.103518
Gallate	21048.37929	1073.668375	394.0291143	519.2270099	753.6242053	946.9306285	38226.95229	141.1138022	297.1927108	648.7619766	401.2941228	46986.58556	1370.226724	806.7333042	1443.372309	419.243194	1287.809192	4237.329369	412.4596225	3180.51659	1282.641247	188928.3912	549.2144382	28912.00531	3305.486595	16230.28475	126.0968329	389.189335	886.9207739	14243.19153	2899.145818	868.8281262	610.4634824	640.3199424	256499.5992	616.7484075	126.6801597	656.347922	43284.94823	322.1324106	277.7078024	21408.71224	428.6642335	596.1638351	767.9984701	47663.94145	1107.006629	459.4080296	521.5632599	2259.864775	432.6897052	305.2148501	2165.016071	1052.600134	167.2545979	2000.017969	1444.899346	2901.126676	2554.00925	604.0477956	376.2874583
Sorbitol	13538.70318	2576.391859	2838.546328	961.2472221	5921.201216	2341.826652	131692.5287	8610.740829	29699.40602	20661.93889	5655.733082	17211.95802	2535.427192	3826.149224	24872.58751	5655.212023	8715.242512	3360.399083	13335.34856	8072.857161	7983.410176	247954.1729	6423.007164	7413.322092	1121.034908	7334.76589	26033.51078	4783.209927	12066.56679	27462.98619	949065.3761	2797.540229	9949.888677	4994.627188	43826.86058	3943.859756	9519.510835	10855.97834	8472.049422	7381.407749	12860.86328	16464.49118	15428.95824	226424.8709	17542.89284	31905.43919	4204.426128	9389.385531	12665.96901	13618.31433	84494.35043	13591.67854	1831.687056	2384.430559	96038.23861	3383.830892	17028.20321	18590.69442	3671.705499	13147.90107	10931.32968
Paraxanthine	37843.24167	109037.8813	70975.88109	175068.2287	43176.82004	21928.66127	228907.1363	136246.4811	17019.77678	11330.43631	44969.606	59239.56162	67122.9387	102195.7489	119667.2615	23443.70003	11886.78603	143611.0957	1583.212961	171614.5656	2305.719241	150051.8141	5527.446021	259819.9331	4633.670074	21948.92056	1806.397237	96963.86892	12064.32331	38860.82286	29387.03425	29583.51679	127629.3975	7902.453543	45307.97674	130643.1229	18610.41107	14416.72432	9705.04527	159680.8603	42045.39311	83838.82875	11117.21455	118777.2826	9905.2933	39182.23488	2911.059361	35228.89856	21223.95633	102620.7554	70174.26738	48856.65432	7412.937336	17708.5858	20867.34412	101979.5852	62691.14341	14871.21273	56977.99718	164547.8977	42375.31181
Indole_3_acetate_2_major	21413.96127	24483.84408	20025.26305	6948.248781	16682.17023	4010.737593	13128.4064	5166.547122	9041.820039	89693.9922	42318.00359	19833.09932	23047.89826	6541.929564	7821.268609	57483.98947	20786.79492	1744.605074	10306.15686	98192.29283	37645.12805	90727.37246	69294.85161	37510.95782	18422.20906	21736.43972	2662.475741	26587.92746	10408.25682	64091.44913	18843.9258	5043.372906	54481.58961	18353.28347	68118.98563	23987.22927	42679.89855	42475.32962	15232.80476	40399.62659	63019.09583	9149.748428	25375.63871	16838.40666	22962.88137	32575.37812	5065.889421	1444.0058	54995.8818	17872.95877	16101.15943	51562.72442	2671.043229	45934.47014	33555.28792	4154.50448	70729.91658	2964.558735	33354.04715	9334.755749	42097.98251
Urocanate	36888.31241	47872.12286	53375.65635	83118.60828	36735.42583	9746.390429	60720.34021	14487.47306	23696.51554	242825.0974	20582.24439	226315.9348	49387.61106	35014.24921	10755.18063	20543.44702	20075.61152	11245.98524	11447.56361	56222.90427	5901.943717	49349.43343	35479.27379	20358.96886	6137.748482	19715.32836	12761.61388	15205.38594	16230.01293	23173.95019	15768.4826	6587.030023	80935.00446	11909.31195	72587.05959	11593.31397	37372.11159	6720.842232	14746.42589	81407.24163	51439.41351	5477.678111	10472.40948	5608.623479	39982.722	23397.52457	3342.265697	3600.815959	92868.74208	9492.818525	165356.3469	13311.49512	5127.170799	66715.67051	29014.35704	8548.918116	119254.3084	9757.743646	12044.61897	45040.3014	60307.18268
Palmitoleate	99596.23545	83932.08918	131815.0986	16644.28579	35623.19001	7020.137631	596773.956	24353.23916	21802.08084	126411.2662	188760.5502	3965.880173	136141.8581	115694.1719	27759.7654	73086.14513	112996.9376	1943.16898	7420.157138	73008.13156	7478.617093	7830.660607	3406.279137	57434.40382	3171.391893	142404.0815	41814.23854	67142.45498	7322.045254	23226.86918	10656.03065	20041.35547	56116.33677	10606.81111	71320.58378	76731.39683	99593.54142	49660.74096	13874.48352	43788.66083	53190.04563	17260.9135	23834.21694	52309.06844	35868.58928	29551.95024	3607.382507	5439.585021	28004.72803	40475.04861	79446.62489	45577.86471	1665.063411	5927.398372	117552.7286	41554.28885	159240.2218	45291.43486	98096.7725	7193.467479	17843.57938
Xanthine	105801.4111	71835.77026	106039.0234	146666.9013	483159.5507	39116.42509	213494.8449	42871.25773	255870.4584	1021736.703	77873.96613	469335.6589	228210.8459	69095.70529	64629.00855	58931.91985	85465.32651	11145.19664	53695.57191	188304.6998	23699.80125	142995.5019	83735.52324	66381.09399	18405.03629	30606.32838	99968.20755	51801.48393	68691.08371	105778.122	294089.0011	27723.46646	193719.0167	59959.02023	92384.7667	43072.11945	148498.1041	33701.99027	43658.28623	183272.3018	98564.48645	18864.95515	86447.74762	193062.7657	2826833.939	172681.779	13954.26897	22973.10134	105112.5416	30235.21118	140591.1973	54624.51359	13937.56073	83064.0711	158804.1651	21051.81562	257851.0415	74337.92275	58174.98037	87141.2233	112659.5935
Gluconate	959.8871141	1476.685174	1599.545408	4113.289758	4246.427261	1516.620936	6086.169064	1006.303262	3223.082414	40203.47542	2516.74573	9601.402637	1437.15587	1018.951568	922.7327884	1003.345006	1897.705885	745.7783377	2325.03841	14114.18539	1069.133721	6329.065747	2340.671375	2005.286528	783.5821854	1278.29199	1854.730795	719.3996055	483.5742	2345.098549	15926.77872	1182.782622	4198.255509	1048.225769	3774.406739	1205.079753	9282.318258	563.5812904	451.9261668	5996.081702	5995.349974	1116.749149	1293.894902	590.1116456	1609.07452	723.7218829	53.0566598	794.5425729	4851.003451	802.1102121	1758.873338	1722.976243	627.4939081	528.4763635	6126.23159	1488.135965	17071.49208	1139.431659	8015.116995	2297.068649	3300.152287
Deoxyribose_phosphate	5365.061624	4507.029446	2467.081418	5370.31525	22519.54866	1405.045414	1595.764888	839.5510919	2953.198058	16171.80938	1800.865462	9938.748528	8056.537169	1752.859191	985.9110751	2803.602874	1788.757386	561.5844398	4899.333225	34390.86557	1464.385958	4614.1293	6696.175159	2790.846427	603.9764973	1323.189826	2119.340296	2764.685969	1555.580142	1133.718368	5278.576778	624.1211074	3808.641956	1592.291361	4392.698401	981.0307292	15527.98132	1895.732692	554.5329398	17659.04831	23054.8338	619.3228168	3031.732569	3236.386155	105043.3097	4245.529369	905.1200874	550.4787761	5004.573938	1101.564244	5903.21714	4530.10078	452.6622649	5792.92624	4523.982436	627.1079388	13767.80059	1421.847108	2107.389705	3723.76888	3896.683154
nAcetylglucosamine_1_major	37747.36975	222657.37	272479.62	185434.9641	41213.73106	42940.00527	1462939.554	174230.4775	17570.05612	310841.192	148843.0995	452678.5709	69009.62146	209502.2627	29322.6081	145788.989	124774.4641	2996.290343	11545.88356	162895.8357	12685.7519	130358.4045	130045.8112	380830.7401	17286.3477	257984.6691	28143.42655	54680.98505	54335.45132	177592.9655	130626.6904	52906.57651	268037.1927	53387.70915	274509.295	107158.6404	278172.1116	77078.02677	92405.9927	196126.0129	184713.2633	11736.52954	37163.6033	17760.8255	67504.52732	38880.51757	4193.95417	6664.237788	135606.299	20818.51503	133910.4724	73785.26905	1801.135169	10205.43178	178086.9652	129343.183	503263.4997	14812.34741	78799.87534	143312.4575	31542.76509
Urate	5504901.263	3762450.293	2200122.587	4197768.616	5353974.82	4569468.049	5779649.685	3064622.907	6792692.604	4476745.882	4710037.197	4417410.137	8346222.344	4013211.494	4732879.266	5987547.819	1851652.795	3841482.452	2928383.527	2639854.496	438358.3355	2326200.141	778635.9743	5851210.751	335758.8505	2528001.206	3029155.997	2608677.06	1640866.147	2389989.758	4107686.145	3995958.004	3778188.766	4621669.108	2043356.618	6330844.417	1074059.714	2051955.683	852082.5371	2201598.686	891578.4854	5598793.69	1800227.827	5026728.594	5194393.319	5283181.336	1141670.846	3608790.56	3816064.747	4995848.919	2873726.314	2692473.898	843649.3833	3637025.715	3319300.464	3649341.885	2848177.232	3758250.951	6210566.837	3254124.371	2922097.791
Inositol	186220.629	175515.251	138740.4229	155834.783	119636.3179	105571.1925	536436.8105	87659.1101	267444.5551	287905.2433	206280.8192	305241.675	267994.7239	91957.72362	139588.145	135051.3106	119475.1515	91713.06341	61575.47747	92729.09704	47491.31695	108116.6053	63217.75846	305413.9649	20562.84995	186580.3111	129662.5674	97756.20235	86291.40128	140870.7252	191684.8011	87130.26413	127648.5543	91489.25386	109934.1146	136671.355	95285.2874	110398.6564	72952.4486	82280.81801	95209.40578	102426.6832	90801.68218	167915.1553	213678.8934	115342.6006	28306.0652	65625.17874	106452.5503	66905.43534	85207.93966	108654.2138	16821.37785	86532.57325	157924.5766	88259.61217	101988.8106	131753.0518	161895.658	98163.00857	98524.0954
nAcetylgalactosamine_2_major	12141.54306	1612.224062	1591.821432	98.43655287	42817.82223	1588.818066	3321.863484	12080.60789	3853.079261	242123.6766	10848.38154	108079.8413	1791.36806	3296.669202	3486.076246	14770.62038	1387.26203	1195.65443	240.0738474	150116.9338	2279.728077	1987.435467	7578.752511	57.59428732	338.7194983	50014.40599	122.2612197	1043.464715	2523.986529	3323.9999	5302.162451	5521.078882	47397.27423	5331.730537	4746.665649	6058.739235	62382.24142	2935.270467	16697.14371	16963.1446	21808.13405	1283.183833	994.5247844	1030.604122	1211.523427	762.8632021	1109.71176	151.6331183	4175.711902	245.9357493	55112.18841	1653.347496	376.0478385	14944.86072	8565.058336	563.1958871	11390.9486	5723.043826	1779.385417	10596.8193	658.4268328
Guanine	11137.94318	12403.26144	25931.49453	11654.50249	14399.58787	41121.35262	53107.58245	35341.35615	36536.08424	18499.65548	18424.68455	25682.78318	57145.19798	40269.06688	38331.20609	11509.19947	22145.34226	15337.09909	14765.90929	32629.29534	15746.75224	24516.11002	11018.71612	9256.97555	8396.602972	6437.96024	11071.88005	8908.750111	17288.81206	14523.71412	6107.221358	13724.89005	6677.984461	5829.324286	3073.648637	13370.6365	2899.811667	7961.820825	20097.09369	17371.96201	9790.171309	24341.58161	10883.06328	24639.05682	38240.75477	46481.71157	7318.940391	19153.9723	4670.113809	14725.66389	9221.171438	6145.480453	9219.180267	9739.449852	10874.34952	15290.40405	14279.42455	19156.53392	10385.31982	2254.914954	13894.52646
Arabinose_phosphate_2	11497.84032	16305.33107	16256.70651	11223.40993	34001.68874	9021.108072	15245.49905	9036.205502	30147.97907	8340.92091	8467.680043	16086.5187	59050.63587	23238.44667	20191.68653	21692.42992	24198.00501	3382.65501	5794.689284	21807.52529	4242.949122	12980.93253	6932.575962	16102.06178	4256.007505	85576.57644	166011.8935	35612.25326	6469.533505	9482.588994	13148.15193	14441.71137	25129.46631	11728.52186	13996.65611	12260.21505	15392.62235	17021.03574	12161.35261	26134.02372	8776.242176	11379.03908	10661.11665	19150.06546	28728.92969	21814.54032	4627.058269	5627.078646	10381.72031	10590.87043	26741.69074	14744.11254	4261.508409	6598.875806	9378.372601	7983.482493	6851.451121	22308.34501	17439.49537	12571.14914	11874.45472
Caffeate	940.3806604	1000.677981	2067.415466	2168.86118	2694.365341	1121.44769	2617.83342	2102.653074	2599.773504	738.9314221	814.2911616	1932.684341	4003.751027	1503.826466	983.021052	1159.728772	14751.56613	691.6695473	862.0466917	1082.580173	260.0093679	2442.149048	731.5655393	4786.561406	455.9896312	1639.750685	825.5555256	1310.363856	204.5853021	1512.463841	738.9538324	683.9400056	17207.02076	1106.477498	1290.967159	2157.277684	837.9819702	963.3878779	1499.616828	2210.301589	904.9488567	1888.075059	755.9527676	1499.099481	1876.673424	1662.785417	441.7703518	985.3962302	1570.118075	3298.84118	23468.82794	1465.541594	486.8333375	9416.236589	641.0465939	568.3401133	455.5835956	1595.327196	1841.747261	1815.304123	1278.872318
Ribulose_phosphate_Xylulose_phosphate_2	10842.79833	20000.06138	20196.29176	7627.089346	42518.33237	8115.208495	3284.610408	5423.411671	14780.09963	7185.088394	6592.375826	18968.97339	81874.06983	32201.26909	16464.16672	15906.41635	15660.43941	2294.357915	7367.750478	12064.03193	2182.374641	13527.25648	7808.555293	14248.33295	2928.859922	12103.22451	13812.9279	26867.78237	11301.45852	9730.944518	17016.93684	11510.20159	27890.39868	17507.80065	9996.047385	5112.937879	12409.1304	13199.23798	10203.92176	28671.84626	11508.0767	8571.367151	10611.28778	11357.1893	29869.86932	9592.758065	3134.989449	4352.978351	8963.318652	8749.395251	24886.11059	12053.95995	2720.436527	7286.446441	7156.980053	3715.334049	4863.719467	23763.22794	4499.986786	16373.8808	11210.66264
Linoleate	8014.751162	10545.4404	7735.762591	11737.52325	17483.21564	5666.097176	16888.96061	10106.58165	5355.082666	55214.16321	7411.451286	35779.94157	23084.3533	8857.503459	5544.295002	7297.372736	2978.348857	1808.291048	6665.836591	20294.03963	4894.118719	10431.753	13856.79524	14690.0488	3423.373327	355.0866822	6471.929919	4395.191346	3893.667294	11197.89163	22761.45855	2620.822127	24643.98421	5784.354486	12103.15685	5515.069052	21585.68666	5218.099965	4058.364264	29991.79	7563.511957	2004.44685	6743.755604	4577.926688	10191.77969	7407.250428	1848.342809	1741.351932	21750.19261	4435.036064	23245.15653	6424.422394	1481.836801	16274.5961	17593.9581	2949.235569	16994.13557	4721.518911	7304.341972	13098.90461	14979.04474
Oleate	18567.52505	26059.72081	24762.62131	26515.6217	79145.45774	17687.46252	43919.27887	18224.46917	86939.65572	37562.52986	34315.83738	27397.31973	44511.43575	40169.19529	43971.51806	25137.66825	7052.678501	8519.245169	33748.56415	44249.36784	24509.14891	25682.74587	30888.68618	52607.49598	7479.877549	16571.48458	9822.580189	16086.78587	13301.71974	20333.47156	112184.3222	8806.348222	47390.31461	16001.18231	12994.27161	29504.1431	63702.78482	17883.94245	18489.27017	38984.22972	47367.09972	8279.09269	17534.94563	16451.86885	46086.70109	45936.76796	7265.318404	9607.871606	23689.78731	31567.87215	12742.9765	24664.18301	5190.838919	13872.97304	41416.38439	10753.90951	53130.32619	15338.75325	33130.05473	16785.67152	67511.38129
Elaidate	3030.64385	2501.347255	3079.97344	1657.229624	10465.82062	914.5710755	1385.066424	1113.758837	626.3527335	39976.99484	1991.632897	2731.772409	2965.915234	860.1020757	1083.167155	1596.078332	90.76051184	267.8975083	1074.361517	12633.66047	1525.036396	933.8402633	1829.279226	2000.37301	660.4512912	1715.912438	1963.934636	756.2042889	740.7582242	2043.118583	2222.559062	833.5647355	8113.807668	990.5621096	3014.15073	766.6940835	13174.77839	983.3884795	2571.713271	11237.43045	9287.921602	519.3814826	2342.106765	825.9539738	826.377612	721.0726017	607.6875791	393.3914304	3198.665914	430.0468395	10105.92723	1124.413586	439.7340974	4008.763536	7122.750972	750.4639497	16271.06249	829.7952772	1621.563509	1478.386855	1758.557171
Tryptophan_3TMS	34584.23499	61981.64742	32695.94443	57223.63115	61355.16297	16688.15726	90586.82493	49341.35111	67302.80598	345376.9898	32885.13267	181966.3222	90056.51427	73817.27607	22242.6056	31689.38367	19775.3002	8836.079716	18472.63825	106045.5458	15734.66003	77008.40373	73268.1179	76097.07468	13699.83706	48156.99817	16508.17722	26145.97518	44203.20387	34194.91894	95853.01999	11433.78499	141046.389	24994.19642	43690.21389	27604.43357	128615.1219	20944.14198	13974.58856	143003.3482	99804.10443	5481.636251	26546.5163	10194.64234	40346.76356	24262.19042	4998.842077	3393.712314	71080.79553	18763.76773	98987.37508	30007.4717	3698.861343	75700.48045	56460.83051	10375.43238	124569.2592	14078.75725	19502.3399	75896.0913	72120.33981
Cystine	1880.156561	2880.092205	3603.643886	6921.944794	4861.389692	4690.483246	10824.98267	2563.192661	5992.220443	8667.648435	1655.003282	23595.60313	3980.288196	2114.666833	5921.409621	2986.294909	1182.309872	1370.803457	1885.049902	2758.774835	1577.861329	4359.844213	2766.565173	2513.570936	619.6337333	2039.194752	1764.545822	1399.476169	1395.42443	3044.15478	22120.37173	1673.280626	4709.410776	2350.691649	2315.826494	2155.508332	2576.828466	1962.652028	2242.211995	3033.289603	1760.550582	2010.380452	3641.466476	7171.34416	10323.28935	5137.737145	570.5959929	1549.343533	2124.865048	2914.128878	2079.74385	3106.595508	1191.055189	2915.092978	1851.137373	1310.96259	3131.394176	2069.74985	2476.056696	2017.682678	4441.921591
F6P_3	24598.64973	20512.24504	21254.82685	43877.30907	77737.92376	16639.03409	14356.99474	6829.230944	77125.0949	62769.9233	20474.55837	8589.605081	37381.11048	16325.27582	24763.94085	41070.43821	31102.24786	2343.077272	26843.18423	36389.86018	10352.89709	43076.67111	21634.46577	41259.55903	7941.833802	42578.21006	15244.27561	27705.18867	24902.46245	35826.10477	20040.02936	20392.41427	40970.6687	24367.29637	10692.65438	13211.2521	22010.72747	14000.51136	14384.14286	14279.36421	25546.98651	8357.618311	4533.289216	19089.71655	80762.07815	18751.8753	6636.199508	7534.268287	22512.53906	7346.712327	15794.42923	21976.42426	2861.601096	3060.818999	23382.95321	6567.135691	27600.08991	17971.74305	23584.48708	51823.25486	22104.50695
Uridine_4TMS	15923.97938	14937.93266	22368.58719	36942.09865	66404.7144	11360.84305	22484.23006	10771.3346	40067.23249	9309.841318	15899.03578	20188.89373	63180.24937	31582.69152	17351.94859	17729.4707	20529.52463	4108.414502	10378.67519	27334.88437	4223.572215	34035.17279	18907.45537	16355.26941	4524.877302	69159.41592	15550.63342	12720.34108	15294.01099	23498.54862	55455.73208	9302.260976	43365.76742	10298.21883	19265.16777	6832.012434	27207.09138	11685.6971	11657.30579	12237.5375	16894.06778	7376.361481	15003.37194	9038.552432	42098.64474	16475.12209	3525.826361	3454.20529	10274.55173	8090.013171	20283.69667	12799.23314	3653.108758	8402.578975	33526.64408	3842.277072	35035.39637	20326.29578	16600.60087	15419.84284	23116.54144
Deoxyinosine	5087.886303	11615.25813	10771.73358	2937.554427	3388.231096	856.6388089	10135.26252	2116.001361	2875.09679	6380.080976	6852.003705	1403.770694	9093.428237	6154.117808	6135.188869	3990.251999	959.3571292	2115.110226	1158.113844	8269.043234	1758.027167	1186.40326	658.9643593	3515.470734	332.8458994	3891.623313	1355.997978	4960.138466	984.9620324	2782.672429	653.0569164	1820.111346	5573.964081	3637.684735	6675.293609	2160.015288	11656.45983	2271.328019	1596.300335	7589.917975	4178.718799	1496.904836	2973.606961	938.2048012	2264.494167	5984.022381	848.9495767	1888.627569	6152.385972	5818.690149	20667.84236	6297.612892	325.7464059	388.7484006	15150.77155	3593.961417	8945.114142	5279.425655	5316.065173	1931.665873	5835.748033
Inosine	3498.089604	4202.661681	10331.79079	3938.899894	8419.523032	10184.32888	97276.63028	3796.095114	54552.95794	6313.597385	2737.281519	8884.53524	21537.34352	18853.26186	11449.11961	4535.144216	14757.49266	5279.041596	9860.933085	7360.99731	3258.424417	13292.41909	5371.099797	4640.173731	2648.933985	32389.32368	2648.222709	3131.54973	2994.34674	6096.887912	2120.147796	2031.85703	5531.582728	3017.303827	4682.209413	3566.241655	4329.266002	3478.058856	9420.736331	9680.384362	2418.930255	6372.655944	6425.728755	6872.618596	4799.402308	8966.436609	5118.89173	7597.186141	2882.597905	4082.463654	14251.22259	5816.433586	5891.775259	7013.186627	3605.268097	2178.766628	6601.814276	4788.923354	3029.675007	2367.741529	3532.003776
Adenosine	2330.234714	5612.567049	1254.794157	5260.833627	2057.290478	3543.1645	2357.384335	2346.488905	2604.273157	2067.847605	1621.395563	2959.740694	4953.306289	4370.910179	5998.15112	2430.096144	4915.179994	4431.633368	8746.230311	4426.594925	1641.473042	13521.75535	1136.060441	919.8021512	1536.385721	6336.405539	1268.600741	2656.708622	2703.725046	2738.468687	1491.226036	3923.357653	854.9294612	1428.267407	988.7051698	1868.973144	651.9259724	1569.559332	1255.939173	1168.521178	1193.766052	3103.016806	2250.840711	853.4684848	567.7147192	580.9450585	455.2063358	206.3218839	2520.306669	1362.5339	4483.379986	9964.118241	2984.64582	5925.417839	1384.061222	1061.503906	846.1581498	2664.854913	491.6059189	1814.940808	3858.042917
nAcetylneuraminate_1	381257.6032	489896.7899	342478.292	316750.1634	270433.8954	143060.9323	972879.6136	115782.7035	93593.16981	1309652.207	179952.2705	674475.879	106403.9223	466563.0119	106547.0019	525931.7883	148037.6634	9443.419415	31398.56852	428257.411	55187.88753	246010.8142	306959.4067	901137.6306	17556.9644	215376.7122	64381.81941	352348.3042	90976.60482	429800.8044	146739.951	244928.388	275956.7953	606994.1142	1002306.727	364015.7978	626930.5678	280336.6922	75741.36361	743280.5666	418809.3659	104633.5705	102277.307	50351.02893	85683.89112	103577.0542	19939.26364	13078.0761	527755.4677	97569.37242	507332.1576	519211.1713	2951.607325	121031.7891	698649.9059	155207.3673	1032089.515	45746.95817	118178.0421	274252.0071	215101.7809
Sucrose	1648.749667	2568.662594	41478.86403	2035.998793	3096.82708	7772.686519	6350.211546	2047.613695	4547.317233	1470.266818	5298.669059	430.0988677	6591.323262	4377.40273	25218.09447	2843.076612	2787.546158	9176.724194	9284.232984	2011.180579	9531.378223	958.4869524	3216.247426	9568.440254	6603.592554	5682.375531	8145.630728	2292.130576	5494.094477	13160.69046	17838.6136	9018.968401	5826.520953	3200.281697	1435.447825	3705.348825	961.1815283	4456.526796	10249.94247	1738.861105	590.7236865	60676.49242	1430.904108	15330.66208	82652.8973	7371.184633	4188.056307	16932.55337	1275.355292	11615.89082	1146.375496	509.5219047	3894.299738	693.8277862	4161.821603	17845.38671	471.6395424	20646.24775	14482.19704	1992.832358	3533.62784
Xanthosine	1265.994655	1017.282511	2468.874247	3152.379707	3452.787174	395.5375232	2722.224918	997.8166513	1219.720789	17818.74513	205.0104591	12118.12236	4331.026107	2560.919529	1061.291071	591.672098	1255.966555	245.7535461	1487.183382	2530.711227	510.2766068	1461.999843	1388.789529	1468.127028	285.7258678	709.7720476	1112.701819	923.1808591	951.6008861	1137.773226	2361.372961	636.3761344	4084.591517	1520.563395	2531.324961	982.4142078	1488.493584	347.4447285	670.3249462	3999.322886	4616.158392	190.3480771	1620.949951	679.5873233	1730.618219	1153.400027	320.0697137	171.1423429	8818.375055	652.1439556	5419.769114	793.9246094	363.1382085	2732.359165	1350.052942	406.2924455	3578.230681	1306.153692	764.473366	1361.504626	744.1600906
Cytidine_2	796.2865213	2393.586161	2445.064869	5649.337825	982.8371824	4053.607231	12783.67267	2917.522588	4199.984362	5489.528983	550.5529153	2656.773645	1661.639083	1038.746369	1041.286828	1382.424856	1167.69483	506.8567685	1019.405673	1667.073371	489.0297621	437.1508502	955.360564	2003.342786	685.450353	1834.804594	386.0522911	981.763258	338.1658279	4412.876021	812.102462	347.3278593	1828.595593	932.8577377	832.1474978	3546.878663	1011.093087	733.8673485	928.6794057	950.5291694	619.2265915	1649.44118	768.4242325	762.3636644	860.3415312	2054.248567	585.7597259	587.120744	1170.175293	1134.680565	377.6487687	250.3181948	361.0103899	1461.541908	762.9120562	654.0624423	2198.627304	776.588253	1350.112819	772.4089672	590.909068
betaLactose_2_minor	105637.6556	11709.22625	132405.2508	42206.97873	41621.57163	80335.13332	121757.4655	33650.59667	27365.30677	9163.803345	25106.28273	24909.16002	35671.51639	11740.65698	90646.78355	20731.3531	102581.8011	12451.09471	42385.33045	22212.92612	24271.52786	203441.329	136632.9168	16283.44702	48243.59848	70449.46091	57772.00472	33275.9071	72003.58547	202706.6024	138410.2213	16332.67407	33866.14699	25015.75552	147113.0282	51245.00841	7419.725284	7328.790294	47709.18914	2532.151703	6760.553575	32682.33839	110044.1256	16602.08729	51035.6856	177223.2755	27768.13724	11717.57412	19598.15798	3876.187107	4535.464585	10675.87243	13410.35007	2206.180578	6531.314013	12470.34865	35230.81073	70127.34641	21438.67759	7852.22037	96484.76244
Guanosine	672.6354643	1581.574771	2241.514966	1087.424204	5030.853668	4658.306446	38563.24583	1597.195458	18322.17416	1793.345907	1074.461657	2310.198404	7604.278639	11835.78134	4374.970238	1424.133185	6258.273632	2716.560429	1521.548896	3302.191404	707.2038282	1895.831675	1044.846433	1313.784523	1062.200168	766.218201	746.4448787	635.3271651	489.3572535	1125.371837	708.1518269	757.6511681	1746.594319	294.4520009	1502.06614	960.8390154	774.2052583	645.4397152	3267.857536	2326.815947	738.8171458	3983.077637	1392.281677	3015.712605	2324.083891	3672.307443	1619.982621	2997.162142	483.8805948	1364.710546	2289.965355	279.9111894	1639.540551	1196.030968	1699.35717	746.3668172	2181.579499	1434.656794	596.3255669	478.516737	1951.074696
Trehalose	1363.079534	2419.536547	2010.366738	2905.924883	10903.95798	3075.315997	26573.93144	2267.211714	11183.04054	15551.8471	640.4897379	5036.121455	8671.274483	6968.523094	3038.525488	2016.72098	6965.279998	1617.379255	1492.618509	17304.81856	520.4817642	1397.884805	6834.688128	1306.817915	889.2257937	1611.809294	572.9037736	1110.770601	657.9323627	1737.01981	1167.528645	928.0800264	2041.69558	549.8919989	1610.307542	633.0933089	3851.843407	399.795859	2160.797359	9179.338071	4630.724883	3351.024848	1869.173939	2031.098657	1830.537898	2584.619381	1378.557561	2167.847608	1051.273982	961.6553143	8650.413118	758.8132335	1391.885387	3807.648304	2018.278259	1122.502683	20255.0477	1597.047228	2101.769949	1246.66043	2068.13215
Maltose_1_major	365220.0084	114125.9474	444165.1854	196997.4358	2014413.59	217716.5757	862655.6923	59506.84628	644661.3784	19803.44524	289392.3534	84363.13028	1155857.744	263604.7622	1330850.19	319750.4301	3015544.684	153189.6904	366793.5596	626158.4126	209971.4152	1750013.008	1724643.782	427006.9748	525330.4696	490676.3176	680117.3854	472468.546	556049.7356	1872986.436	4381515.035	447064.6974	663657.0118	347229.8558	1062089.043	70891.5966	467928.6844	452377.7009	353054.7746	86929.52291	342592.5243	603538.8184	854598.285	1046830.678	1087787.85	841697.5783	400829.3155	328953.3523	482039.5759	176393.8835	49462.09898	162618.5134	90366.72231	13591.14784	273742.617	500181.9861	526702.6325	1556526.916	504720.745	285703.0548	771861.4058
Epicatechin	7262.118637	215.4303678	282.168863	311.4220926	16.44418868	192.6309985	6101.957777	318.0657535	55.56017403	166.1779957	91.32820445	7599.033707	1044.083522	296.4132893	499.1496849	266.0096144	259.4415543	873.3063919	32.9790824	310.3598449	270.2165508	28212.3564	252.0446236	3148.060601	389.0263171	1400.092488	186.2374326	185.1558893	439.6262917	5482.086383	427.4030928	21.84799044	166.4248631	171.3881821	15977.41217	231.8008459	283.0050976	266.1421768	6802.369066	181.784643	68.62325512	3672.835344	158.1802155	124.3485136	77.69644674	9667.953089	150.42151	535.0892455	94.83728716	353.3727217	147.535377	238.2310423	305.8863336	157.3430584	167.3762389	1013.16529	520.0093911	874.5906544	954.615306	174.5473194	188.9457932
Naringenin_1_major	1608.754228	8609.760209	3481.004188	2341.700437	3148.615083	2699.678372	3796.6671	2238.751969	4111.167665	3519.362253	2602.54533	4803.384352	1837.986113	1199.33379	1576.229113	2070.723611	2836.020687	1596.507017	4189.996627	3277.340507	780.5630372	232.5114019	1233.781506	165.6624	312.0197502	1281.270703	1507.908356	5837.008718	506.9321962	5188.764707	2499.786766	2613.211989	1964.256273	3387.744108	537.7193826	1175.970035	1806.948748	4735.007771	648.5458456	1760.649233	1364.708875	5516.051139	1468.325272	4666.654311	51645.76018	2670.383554	802.743663	1156.481176	6250.824268	1116.724495	2337.834478	7086.053007	1346.747726	1727.311742	2969.159202	1343.041254	20637.58429	24725.97559	814.3366119	437.0568105	5925.810585
Maltitol	322.076735	1807.208147	1082.771478	1691.684851	1176.002815	1170.051776	31446.04344	670.5799866	19438.61278	8286.848233	660.0088253	1987.062312	4832.571613	2734.163934	539408.3484	1352.891408	962.9611294	1670.947066	667.9743683	533.7132608	5494.497993	50511.36745	39930.2801	3723.05051	409.9614872	1622.931966	850.3369609	752.1503786	51030.73515	9084.983138	190194.8968	2309.291507	1735.833907	1471.552163	1536.264458	1261.028385	1456.378475	1330.017546	1533.15592	1277.582305	259.1449019	11907.40283	3773.323062	3225.814542	43422.96169	1939.424732	9890.91189	105117.7441	933.0142167	2248.454697	4030.340825	977.4105029	2963.810141	1202.13089	33485.44474	712.8147945	27422.26884	1137.895737	29030.73413	2511.693768	916.970864
Epigallo_catechin	2391.789935	1719.741368	3878.656655	1042.398311	1521.951097	1837.655877	2169.654306	2995.077939	1179.006999	803.5869735	2356.479804	3957.471911	2955.602897	2773.243907	3090.527734	1224.366967	2401.729164	2937.685621	3377.340645	1854.916196	4054.251896	1570.27537	1849.583707	745.4217317	2118.765615	1402.947548	919.2091981	1701.612981	2348.489109	1609.486648	2652.598002	2843.121743	1216.154885	4876.930115	6830.921607	2347.119197	653.3874394	898.6940392	1735.251863	979.4353568	1297.134878	3734.293226	1048.788755	755.8908551	1392.354944	1447.411793	2070.83294	1676.301185	1254.169521	1434.224714	912.1103648	1890.667634	1231.986047	1917.545493	1831.648727	1011.939405	886.206304	2139.15049	1030.408018	527.4611512	2068.56812
Maltotriose	1925.555119	1318.974608	1413.722546	2017.22158	304.1499761	1342.005382	1140.570814	749.7914488	1670.569897	563.9925563	1189.674267	2423.0608	3316.405266	7773.707162	3806.493542	1104.031981	1425.828176	1896.820942	1690.711368	1837.954858	946.6069145	675.6528485	1035.05957	1861.582484	1432.961043	1954.122999	543.3366914	654.4093668	1724.322539	749.7669306	2000.281659	614.0529273	487.242899	1112.490811	670.1438078	693.3933649	770.3672752	1314.653833	1977.812015	822.398128	970.3976261	1643.995257	1398.274882	1730.198432	1256.445209	1426.087652	8950.266888	807.1090445	298.6668674	1072.46403	971.1104274	840.8912148	2776.77339	442.9257922	942.0330699	7372.11011	772.8085319	6137.556534	1210.836606	2259.448224	990.6750739
Panose_2_major	817.8888621	600.1358245	1195.654306	1514.044949	4021.200714	333.2764184	3499.816034	854.3690916	2009.194022	911.3320759	1641.475647	1033.238419	2160.820288	1318.998192	925.8881637	1648.800729	1730.370408	725.6042932	530.2066278	2207.411112	841.8698366	758.3282501	1039.004435	982.2021921	213.9187281	1169.12614	1993.933625	346.084938	581.8223913	809.0957508	3619.119941	975.6683021	1003.118584	481.958208	587.1571045	825.3407736	1666.264219	374.5323106	1072.416587	758.1323608	703.5972371	1146.857408	654.0577649	1132.20055	1289.95168	1200.917232	712.4225527	475.8378081	985.4531401	535.6553896	831.5410304	1794.10451	298.738657	572.6978168	6652.090829	354.7587412	2251.299266	1073.301981	851.5704152	628.4444822	889.2297779
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name	Average Rt(min)	Average RI	Quant mass
Propyleneglycol	4.087	1006.59	117
nPropylamine	4.373	1029.11	174
Oxaloacetate_Pyruvate	4.598	1054.28	174
Lactate	4.772	1067.67	117
Glycolate	4.904	1080.89	147
Alanine_2TMS	5.215	1109.54	116
alfaHydroxybutyrate	5.494	1135.14	131
Ketovaline_2	5.575	1142.54	89
Sarcosine_2TMS	5.589	1143.81	116
betaHydroxybutyrate	5.838	1166.73	147
alfaAminobutyrate	5.98	1179.8	130
Malonate	6.299	1209.74	147
betaHydroxyisovalerate	6.366	1216.32	131
Valine_2TMS	6.45	1224.73	144
Urea	6.587	1238.23	189
Dihydroxyacetone	6.817	1261.01	163
Oxamate	6.835	1262.89	146
Serine_2TMS_minor	6.851	1264.33	116
Ethanolamine	6.973	1276.45	174
Leucine_2TMS	7.017	1280.79	158
Phosphate	7.061	1285.14	283
Nicotinate	7.186	1297.47	180
Isoleucine_2TMS_major	7.241	1303.13	158
Proline_2TMS	7.277	1306.99	142
Maleate	7.308	1310.37	163
Glycine_3TMS	7.374	1317.41	174
Glycerate	7.604	1341.94	147
Uracil	7.655	1347.36	241
Fumarate	7.676	1349.64	245
Nonanoate	7.794	1362.2	215
Threonine_3TMS_major	8.139	1399.08	218
Glutarate	8.212	1407.48	147
Thymine	8.244	1410.99	255
Hydrocinnamate	8.352	1423.39	104
betaAlanine_3TMS	8.474	1437.38	248
Decanoate	8.662	1458.9	229
Homoserine	8.682	1461.23	218
Citramalate	8.902	1486.35	232
Malate	9.012	1499.03	147
Dihydrouracil	9.031	1501.26	243
Threitol	9.158	1516.72	103
Erythritol	9.231	1525.66	147
Methionine_2TMS	9.271	1530.53	176
Aspartate_3TMS	9.284	1532.14	232
Pyroglutamate_2TMS	9.299	1533.94	156
Hydroxyproline	9.344	1539.53	230
GABA	9.365	1541.98	174
Pyrogallol	9.517	1560.64	239
Cysteine_3TMS	9.586	1569.1	220
Creatinine	9.622	1573.41	115
Threonate	9.666	1578.75	292
Tyrosol	9.678	1580.23	179
alfaIsopropylmalate	9.793	1594.32	275
betaPhenyllactate	9.826	1598.24	193
Phosphoenolpyruvate	9.955	1615.08	100
Hypotaurine	9.96	1615.56	188
betaGlutamic acid_3TMS	10.034	1625.17	232
Glutamate_3TMS	10.078	1630.74	246
gammaHydroxybenzoate	10.115	1635.63	267
fiveAminovalerate	10.153	1640.45	174
Phenylalanine_2TMS	10.165	1642.08	218
gammaHydroxyphenylacetate	10.209	1647.7	179
Lauriate	10.258	1654.06	117
Tartarate	10.281	1656.54	241
Propanediamine	10.352	1666.27	174
Taurine	10.513	1687.17	326
Cysteine_sulfinate	10.573	1694.95	252
Ribose	10.631	1702.49	103
alfaAminoadipate	10.816	1727.75	260
Xylitol	10.876	1736.04	217
nAcetylputrescine_3TMS_2018	10.911	1740.88	174
Putrescine_4TMS_2018	11.03	1757.09	174
Dihydroxybenzoate	11.051	1760	355
Dihydroxyacetone_phosphate_1	11.078	1763.63	299
Fucose_2	11.122	1769.63	117
Glutamine_3TMS	11.246	1786.51	156
Phosphoethanolamine	11.374	1804.16	299
Hypoxanthine	11.482	1819.73	265
betaPhosphoglycerate	11.551	1829.63	299
Glycylglycine_1	11.589	1835.05	156
Ornithine_4TMS	11.605	1837.41	142
Citrulline	11.614	1838.68	157
Citrate	11.631	1841.03	273
Myristate	11.697	1850.54	117
Cadaverine_4TMS_2018	11.733	1855.72	174
Phosphoserine	11.765	1860.33	299
Caffeine	11.793	1864.41	194
Alanylalanine_3	11.85	1872.59	188
Anhydroglucitol	11.883	1877.32	147
Adenine	11.928	1883.71	264
Aminomethyluracil	11.976	1890.73	327
Quinate	11.984	1891.86	345
Allantoin	12.126	1912.77	331
Fructose_2	12.147	1915.76	307
Galactose_1	12.23	1928.42	147
Glucose_1	12.266	1933.93	147
Allose_2_minor_Mannose_2_minor	12.276	1935.45	204
Lysine_4TMS	12.308	1940.24	156
Histidine_3TMS	12.319	1941.92	144
Tyrosine	12.429	1958.44	218
Mannitol	12.497	1968.67	311
Glucuronate_1_major	12.541	1975.41	333
Gallate	12.547	1976.14	281
Sorbitol	12.549	1976.62	147
Paraxanthine	12.566	1979.22	237
Indole_3_acetate_2_major	12.591	1982.91	202
Urocanate	12.777	2011.54	267
Palmitoleate	12.881	2027.98	204
Xanthine	12.959	2040.16	353
Gluconate	12.98	2043.56	333
Deoxyribose_phosphate	13.06	2056.17	299
nAcetylglucosamine_1_major	13.453	2119.1	147
Urate	13.507	2128.04	441
Inositol	13.534	2132.45	305
nAcetylgalactosamine_2_major	13.586	2141.03	147
Guanine	13.618	2146.28	352
Arabinose_phosphate_2	13.627	2147.79	315
Caffeate	13.639	2149.77	219
Ribulose_phosphate_Xylulose_phosphate_2	13.694	2158.86	357
Linoleate	14.04	2216.52	218
Oleate	14.068	2221.34	117
Elaidate	14.103	2227.44	158
Tryptophan_3TMS	14.228	2248.9	202
Cystine	14.655	2323.41	218
F6P_3	14.93	2372.91	387
Uridine_4TMS	15.509	2479.69	217
Deoxyinosine	15.995	2573.18	331
Inosine	16.161	2605.44	217
Adenosine	16.479	2669.46	204
nAcetylneuraminate_1	16.608	2695.39	246
Sucrose	16.66	2706.16	361
Xanthosine	16.711	2716.77	325
Cytidine_2	16.765	2728.04	223
betaLactose_2_minor	17.027	2782.5	204
Guanosine	17.166	2812.03	324
Trehalose	17.173	2813.49	280
Maltose_1_major	17.203	2819.93	361
Epicatechin	17.549	2894.73	368
Naringenin_1_major	17.621	2910.67	204
Maltitol	17.694	2926.77	361
Epigallo_catechin	17.937	2980.89	355
Maltotriose	22.07	3686.32	361
Panose_2_major	23.071	3790.4	361
METABOLITES_END
#END