metabolite_name	Aloha_A	Aloha_B	Aloha_C	NP_A	NP_B	NP_C	PS_A	PS_B	PS_C	TruePoo_Full1	TruePoo_Full2	TruePoo_Full3	TruePoo_Half1	TruePoo_Half2	TruePoo_Half3	LW_A	LW_B	LW_C	PPL_Aloha_A	PPL_Aloha_B	PPL_Aloha_C	PPL_PS_A	PPL_PS_B	PPL_PS_C
(3-Carboxypropyl)trimethylammonium (TMAB)	923077	786690	857221	563234	534058	719264	1802639	2163733	1867806	92533184	100536680	98479808	85869456	101739176	93118728	NA	NA	NA	NA	NA	NA	NA	NA	NA
4-Hydroxyisoleucine	817494.6024049033	934565.284172658	1209032.70306742	NA	NA	NA	716529.9228489447	249826.1546862773	474788.2370525325	5833898.651166287	5437889.565421032	5909376.925189803	4427130.865944797	5537350.845713037	6269549.201966568	2620344.743754705	1555153.3511377373	1662899.4966582996	NA	NA	NA	NA	NA	NA
5-Methylcytosine	NA	NA	NA	NA	NA	NA	NA	NA	NA	58489864	62346292	63613780	57097900	63228220	65095056	389502	503177	534559	NA	NA	NA	NA	NA	NA
6-Methyladenine	NA	NA	NA	NA	NA	NA	199084	147242	283401	84493592	90392080	95696648	82102632	91874560	93012952	239109	311823	668560	247266	282884	283536	417820	567269	838311
Acetyl-L-carnitine	1846661	1421521	1535400	147809	73048	77010	NA	NA	NA	108401456	109626384	107246568	101561776	113863816	106604608	NA	NA	NA	NA	NA	NA	NA	NA	NA
Acetylcholine	NA	NA	NA	NA	NA	NA	NA	NA	NA	25161706	26444346	23080344	22823404	27965752	23167868	188816	76709	62081	NA	NA	NA	NA	NA	NA
Acetylglutamic acid	NA	NA	NA	NA	NA	NA	NA	NA	NA	848939	966831	900651	789382	949428	359200	NA	NA	NA	NA	NA	NA	NA	NA	NA
Adenine	NA	NA	NA	NA	NA	NA	NA	NA	NA	168892722.05553347	175441612.3702458	177605734.43397778	174133354.04591283	179688893.46646017	177228542.77267602	4991580.785994388	7103718.543030431	10722982.323412089	2335590.075351232	1941088.038883286	1687647.1289280546	4902608.422356063	2345691.6878244136	5477442.780080683
Adenosine	NA	NA	NA	NA	NA	NA	NA	NA	NA	53440145.12283897	53795500.45339975	59817455.41376503	55679160.17833493	57853724.35323164	57468265.49659587	3145363.8468575072	4666103.384880032	5633273.202539015	271498.5759796971	204476.0160322519	223984.990037131	1429975.9380539523	1371219.074679393	1605774.9863330182
Adenosyl Homocysteine	NA	NA	NA	NA	NA	NA	NA	NA	NA	8345872.840397275	7956935.423392386	7942396.270527565	8633666.313944079	7656910.759882327	8813643.850811414	NA	NA	NA	NA	NA	NA	NA	NA	NA
Adenosyl Methionine	NA	NA	NA	NA	NA	NA	NA	NA	NA	731725	560443	616097	458548	201196	341704	NA	NA	NA	NA	NA	NA	NA	NA	NA
Alanine	4847921.012445313	6104435.802476689	5082855.6256634025	NA	NA	NA	2380347.868575861	1989414.7528051257	2658838.629585682	6978174.141639226	7056826.711602288	6713119.182506146	7043190.59506572	7280956.287206846	7464729.418379668	2907819.3785989704	3237557.071865008	2877771.444385582	NA	NA	NA	NA	NA	NA
Aminobutyric Acid	NA	NA	NA	NA	NA	NA	NA	NA	NA	11262943.642555833	10100266.005163169	9607525.07549086	10978604.145882376	13271247.03007973	11542315.472922618	NA	NA	NA	NA	NA	NA	NA	NA	NA
Anserine	NA	NA	NA	NA	NA	NA	NA	NA	NA	7411294.542837945	6682006.575661183	7637062.349104138	7621788.96464427	7251995.639410034	7430497.146725154	NA	NA	NA	NA	NA	NA	NA	NA	NA
Arginine	NA	NA	NA	NA	NA	NA	NA	NA	NA	7501959	7561426	5905970	7945394	8456192	6465646	NA	NA	NA	NA	NA	NA	NA	NA	NA
Argininosuccinic Acid	NA	NA	NA	NA	NA	NA	NA	NA	NA	980169	963085	775673	830058	832316	716288	NA	NA	NA	NA	NA	NA	NA	NA	NA
Arsenobetaine	1955464	1612009	1804554	NA	NA	NA	NA	NA	NA	114620304	115199280	110786840	103271680	121784136	111424848	NA	NA	NA	NA	NA	NA	NA	NA	NA
Asparagine	1352770.8244010303	1264799.9837795212	1469009.4710414074	NA	NA	NA	NA	NA	NA	2072190.034413781	2196889.813910903	2455015.7020515124	1997358.046778475	2145936.685931486	2220370.520156436	695353.4545921928	916202.7915254025	787232.5607572909	NA	NA	NA	NA	NA	NA
Aspartic acid	1220802	1575528	1105729	NA	NA	NA	869742	918007	2293642	1685533	1862695	1858950	1963934	2052020	2025096	757223	1532888	1236328	NA	NA	NA	NA	NA	NA
beta-Alanine	2071832.4990955377	1993813.6580859427	1459619.1474469723	1882400.0968216583	1304473.3266514498	1346902.1028234824	2722287.687883637	1632443.8712266462	2167542.693122797	5746420.485955419	5950150.166702074	5306391.279130099	5145087.841477052	5626749.646030692	5339687.518358113	1439365.921440633	1176089.7755959483	1292349.6994446272	NA	NA	NA	NA	NA	NA
beta-Glutamic acid	NA	NA	NA	NA	NA	NA	NA	NA	NA	6353386.836451138	6158070.142787799	6342075.230811462	6728936.462899197	6340589.0189892175	5540100.564634844	NA	NA	NA	NA	NA	NA	NA	NA	NA
Betaine	168642864	159114960	158657904	93646776	153009424	134932880	240724512	298542240	260596160	312345440	326642240	323218016	294913984	334581760	317677760	NA	NA	NA	NA	NA	NA	NA	NA	NA
Betonicine	3630631	2842177	2705921	554013	1134534	1166528	956701	802908	605163	134587792	143010416	125540760	127595808	147082464	125770232	1084536	1009753	566826	NA	NA	NA	NA	NA	NA
Butyryl-L-carnitine	NA	NA	NA	NA	NA	NA	NA	NA	NA	280837952	290113152	275269056	263791280	292328928	275898208	NA	NA	NA	NA	NA	NA	NA	NA	NA
Carnitine	8280793	7836088	7469360	1318565	2456527	1882880	5410541	7324034	5824863	165516176	184250448	178450160	157871712	182322240	173707152	1856920	4744607	4616431	NA	NA	NA	NA	NA	NA
Carnosine	NA	NA	NA	NA	NA	NA	NA	NA	NA	7357503.690623099	6862359.001920825	7371499.989576204	6824220.829240693	6596921.239811651	6849337.093434372	NA	NA	NA	NA	NA	NA	NA	NA	NA
Chitobiose	NA	NA	NA	NA	NA	NA	NA	NA	NA	2212287	1908900	1588248	1327914	1117206	1237002	325450	183484	307977	NA	NA	NA	NA	NA	NA
Choline	NA	NA	NA	NA	NA	NA	NA	NA	NA	52414976	53916608	44653104	47482288	54869196	46171200	288831	176212	168877	NA	NA	NA	NA	NA	NA
Citrulline	1784609.709822968	2052176.3964505529	1024654.0623102966	NA	NA	NA	NA	NA	NA	6762524.00737824	7069767.665532078	6766856.395967973	6345777.078765625	6817765.132906073	6920454.412641378	1304842.6686063306	1489513.205069396	1029609.2969284332	NA	NA	NA	NA	NA	NA
Creatine	7159522	7173212	6542656	2294376	3724844	3511658	1340584	1582383	1616444	34698584	38948372	38879852	34528960	38561460	38983408	2324571	4868025	4807911	NA	NA	NA	NA	NA	NA
Cys-Gly oxidized	NA	NA	NA	NA	NA	NA	NA	NA	NA	1936641.9454935617	1751817.192317385	1978223.7736078957	1889924.1931351307	1778177.6363450782	1826937.5854844144	NA	NA	NA	NA	NA	NA	NA	NA	NA
Cystathionine	NA	NA	NA	NA	NA	NA	NA	NA	NA	751831	779089	755205	572550	636150	625398	NA	NA	NA	NA	NA	NA	NA	NA	NA
Cysteinesulfinic acid	NA	NA	NA	NA	NA	NA	NA	NA	NA	284945	291659	302400	265384	275958	269504	NA	NA	NA	NA	NA	NA	NA	NA	NA
Cystine	NA	NA	NA	NA	NA	NA	NA	NA	NA	611485	578078	640631	940650	645374	603950	NA	NA	NA	NA	NA	NA	NA	NA	NA
Cytidine	NA	NA	NA	NA	NA	NA	68485.62331719155	86418.8858514768	77928.95218452632	8509147.770030076	8139515.943256111	8670881.133695025	8859009.514562279	8585680.133223876	7757193.34375369	152651.74480423267	287480.849384423	420657.7862088824	45301.516735328696	45352.637678317355	59191.14425990758	123998.85216630588	88933.5499198079	79743.9105726265
Cytosine	611542	450496	767444	636450	1597657	2199661	2010231	3032781	2685437	34161904	37098428	40495920	32446370	38280980	42117540	1380874	2467779	2726913	NA	NA	NA	NA	NA	NA
Deoxyadenosine	NA	NA	NA	NA	NA	NA	NA	NA	NA	35934999.62813016	34316386.64004389	34732200.39603549	33372102.122674216	35141092.46819241	33707901.22121644	NA	NA	NA	NA	NA	NA	NA	NA	NA
Dimethyl Glycine	NA	NA	NA	NA	NA	NA	NA	NA	NA	32792070.50653396	28335526.21468163	50939602.320697695	39235140.88528425	38072465.580576755	62108033.85889048	NA	NA	NA	NA	NA	NA	NA	NA	NA
Dimethylsulfonioacetate (DMS-Ac)	9388103	8628455	8777906	13965831	22220112	19532664	8667720	10308397	9687338	55505144	60379876	52725344	54073532	61383224	53094628	NA	NA	NA	NA	NA	NA	NA	NA	NA
DMSP	54319452	48742296	53409188	77732000	121033104	106582616	31982692	38867632	32170416	87004648	93645096	92354936	82892352	93201328	87540840	136515	201091	260472	218217	86132	235076	57552	75956	77941
Ectoine	1726388	1703042	1499734	1350933	1552985	1255619	NA	NA	NA	361907392	395718880	372017376	361277856	381687680	393069824	NA	NA	NA	NA	NA	NA	NA	NA	NA
Ergothioneine	NA	NA	NA	NA	NA	NA	NA	NA	NA	1373899	1323340	1239868	1449640	1521416	1421910	NA	NA	NA	NA	NA	NA	NA	NA	NA
Glucosamine	NA	NA	NA	NA	NA	NA	NA	NA	NA	6441537.643434412	6333782.845802708	6523368.906424155	6255175.023160743	6393608.3217218425	7042041.299680613	122588.75609458872	178078.15968719893	169259.52997923692	NA	NA	NA	NA	NA	NA
Glucosylglycerol	NA	NA	NA	NA	NA	NA	NA	NA	NA	261013.02097732865	307355.88680164726	295633.83516255213	NA	210864.4714500687	220162.74319053747	NA	NA	NA	NA	NA	NA	NA	NA	NA
Glutamic acid	4379833.614667052	4351046.045022654	5627666.567271776	1673070.8709140178	964520.8944550706	1383463.9288253428	2001759.9037590316	1795619.7147926593	2203549.1819664766	7810032.266380413	7036226.431850282	8633044.047322573	7924185.820691488	8086701.005769631	8332393.797329415	2587287.0407210006	2304087.5764321275	2254565.327059805	NA	NA	NA	NA	NA	NA
Glutamine	4664820	3957024	3984704	396339	929214	549558	2465370	2654058	2657606	8359966	9490607	9930846	8601728	9200310	10426206	957213	1740269	1586444	NA	NA	NA	NA	NA	NA
Glutamylphenylalanine	51661.32468031604	41514.96490416171	74392.51353761685	NA	NA	NA	69913.75877880755	45568.98853342573	51943.47299083482	12815259.827543676	11403323.677818874	10903201.821673645	13016237.854261378	12134820.766242117	12435904.972634893	NA	NA	NA	242606.11222466192	191479.25731233583	80088.25502665115	223132.0300420612	99371.018502877	395915.6086888109
Glutathione Disulfide	NA	NA	NA	NA	NA	NA	NA	NA	NA	349223	324308	320075	299122	354172	243038	NA	NA	NA	NA	NA	NA	NA	NA	NA
Glycerophosphocholine	NA	NA	NA	NA	NA	NA	130633	146326	145614	3839667	4148025	4309581	3737498	4017860	4156930	NA	NA	NA	NA	NA	NA	NA	NA	NA
Glycine	1518849.6254682576	1943742.2580389888	2329098.4327205387	NA	NA	NA	1307659.629482459	1229442.2778956653	2230908.26216851	1978702.9120699528	1905923.713779144	2192153.0355199347	1975879.8476505072	2277679.9372750022	2330641.7636468634	2172765.8495362913	1944058.128380052	1454042.9944140778	NA	NA	NA	NA	NA	NA
Gonyol	1260172	1063635	1247954	440468	857922	840113	2530225	3324228	2794214	5822613	6325302	5920218	5404894	6094168	5769370	921127	2078233	2046525	114437	66874	114248	53701	98529	94296
Guanine	1454857.8869065286	1259915.5747958715	1259498.0696212193	NA	NA	NA	1839326.6231874852	1685691.524169314	1668502.415388464	12370343.847669808	11841545.42378883	11608647.873948598	11581717.782638352	11293645.799968548	12247945.998011723	1598479.112881295	2906215.170090849	3315361.356347547	612507.7033107221	476849.03929101565	575190.930604658	1404096.8793504245	1068784.3793087285	1615633.829382911
Guanosine	NA	NA	NA	NA	NA	NA	NA	NA	NA	3961846	4962825	3668973	4217896	4207366	3881532	NA	NA	NA	NA	NA	NA	NA	NA	NA
Histidine	4423476	2685565	3977024	NA	NA	NA	NA	NA	NA	18764884	19081874	19381272	11010130	20376684	19450660	6507065	6724905	6024395	NA	NA	NA	NA	NA	NA
Homarine	103556496	93229776	95537488	23262468	36700512	30110544	52072052	67072392	55494532	19075900	20541524	19895636	18313076	21079434	19929922	3846864	6430063	6903652	6062874	5169631	6306368	3203487	1646866	2422138
Homocysteine Thiolactone	NA	NA	NA	NA	NA	NA	NA	NA	NA	1613141.108597705	1595590.7616771786	1667385.2797517488	1513489.1054616682	1674486.8475312155	1572354.6103859995	NA	NA	NA	NA	NA	NA	NA	NA	NA
Homocystine	NA	NA	NA	NA	NA	NA	NA	NA	NA	424337	481487	483326	281000	367160	349672	NA	NA	NA	NA	NA	NA	NA	NA	NA
Homoserine	NA	NA	NA	NA	NA	NA	871840	555944	442957	3876794	4305045	4771043	3467296	3965018	3440938	NA	NA	NA	NA	NA	NA	NA	NA	NA
Hordenine	NA	NA	NA	NA	NA	NA	NA	NA	NA	57376576	58807860	58760504	53262456	60513460	56111908	NA	NA	NA	NA	NA	NA	NA	NA	NA
Hydroxyectoine	NA	NA	NA	NA	NA	NA	2352423	2525079	1729163	5353278	5621252	6046006	4893386	6073814	6246056	NA	NA	NA	NA	NA	NA	NA	NA	NA
Hydroxylysine	NA	NA	NA	NA	NA	NA	NA	NA	NA	501027	587671	496588	289292	369540	317110	NA	NA	NA	NA	NA	NA	NA	NA	NA
Hypoxanthine	7126579	5416052	5336370	NA	NA	NA	NA	NA	NA	48112224	52522124	50162868	45988248	51481648	52256268	6405165	12675104	15533020	2501752	2521880	2637861	2477790	1652557	2209318
Isoleucine	16297932.30944562	17376801.778586525	16014829.185288794	1945985.4522569857	2253462.5342823896	1765551.9663670086	5263879.266887196	5197962.035583389	5402683.087970968	32474615.959152065	35172835.89660508	31871699.093550287	30996455.10188373	37295621.111794814	36941203.22045219	3756613.102021636	6679136.479517812	5152703.856798396	15296650.408077888	14244140.529203417	14159783.438944014	6814951.260959791	6376091.953637552	5645609.904502986
Leucine	9621975.838984905	9839793.26561413	9818817.446764931	NA	NA	NA	3510962.002230073	3705786.978158438	4138102.332031909	19274499.09331216	18307347.999164507	18797120.44307176	18263449.75452896	16174695.865575615	18022378.971569564	2193478.5259153927	3944148.567724404	3017037.1500637154	10510593.742622055	9938241.220431156	8596793.642779537	5257776.224110141	5358632.831118861	5346784.543640256
Lysine	507218	506597	614309	NA	NA	NA	NA	NA	NA	1495057	1369941	1079855	1700212	1656498	1147902	NA	NA	NA	NA	NA	NA	NA	NA	NA
Melamine	10487020.201760847	10534059.203487534	14043667.919789044	NA	NA	NA	7095719.64698332	4800227.707201526	9623859.6018382	69218914.89876355	71885592.85282102	69823829.76311947	69316000.50294241	76906307.75410411	70831367.45001934	6425009.596563054	5877641.5969868805	7156961.464754337	NA	NA	NA	NA	NA	NA
Methionine Sulfoxide	2472019.993164864	2283287.816642418	3058183.9187668366	NA	NA	NA	703424.2968673467	1136917.7471937502	1336458.440994701	20395519.78183077	19453807.7682978	20481578.201398123	19690000.90277505	20550235.71662333	20400046.33679872	560580.0821305744	623815.6064920527	532750.7462972726	NA	NA	NA	NA	NA	NA
Methionine	NA	NA	NA	NA	NA	NA	NA	NA	NA	5346421.830932651	5173110.3390081655	5943521.442792213	5543558.108983324	5281593.382206732	5798055.871880034	NA	NA	NA	NA	NA	NA	NA	NA	NA
Methylmalonyl carnitine	NA	NA	NA	NA	NA	NA	NA	NA	NA	40417444	43026364	43262164	39041640	42775656	43780096	NA	NA	NA	NA	NA	NA	NA	NA	NA
Muramic Acid	NA	NA	NA	NA	NA	NA	NA	NA	NA	5291641.10156039	4908350.869683418	5158469.205612698	5524881.979061434	5349753.196488319	4882540.716775081	NA	NA	NA	NA	NA	NA	NA	NA	NA
N-Acetyl-Serine	NA	NA	NA	NA	NA	NA	NA	NA	NA	337603.22517818754	505051.80397072854	621414.1613108369	NA	310308.9150881092	469042.8421670818	NA	NA	NA	NA	NA	NA	NA	NA	NA
N-Acetylglucosamine	NA	NA	NA	NA	NA	NA	NA	NA	NA	495613	456179	478187	334234	491248	465878	NA	NA	NA	NA	NA	NA	NA	NA	NA
N-Acetylmuramic acid	NA	NA	NA	NA	NA	NA	NA	NA	NA	2877188.8976433976	3182733.6627550377	2971506.027580247	2797509.5985772666	2684863.808118665	3039087.8936341433	NA	NA	NA	212438.86278828155	217871.90964984315	308640.36469355307	181870.50257350772	214649.9117518528	207722.958566926
N-methyltaurine	NA	NA	NA	NA	NA	NA	NA	NA	NA	6302324.473615888	5748265.516933938	6628493.819381801	7416207.318284002	6269799.549865157	6193947.410329643	NA	NA	NA	NA	NA	NA	NA	NA	NA
N(e)-Acetyl-Lysine	275908.9545404336	177609.91925699371	229487.74283081605	NA	NA	NA	102485.90116848832	59440.2962495752	58619.31555052969	32085571.718009654	34592700.61119398	34768968.22416288	34773929.47223155	34985216.11835452	33655837.97546278	100016.16270166448	93133.37418130084	200608.49022010772	NA	NA	NA	NA	NA	NA
Ophthalmic Acid	NA	NA	NA	NA	NA	NA	NA	NA	NA	6857834.236159267	6573985.675744416	6986971.027557394	7190599.552263687	6702029.389530117	7110502.916283018	NA	NA	NA	NA	NA	NA	NA	NA	NA
Ornithine	2977601	3279157	3354703	NA	NA	NA	NA	NA	NA	5947816	5720041	5039561	7988970	7027948	6495590	3188180	3586167	2869676	NA	NA	NA	NA	NA	NA
Proline	17398016.66040902	22411771.48695869	19988913.401307605	3611953.473661557	3540396.7423176826	2922470.58819168	3354236.1709295884	3285262.6696164436	4468508.597133991	45975689.68028549	47311382.54777068	50397031.93519318	47046919.5808601	47746943.46714856	47535831.20473556	7800069.305946782	9940884.123947622	8570549.429961165	NA	NA	NA	NA	NA	NA
Propionyl-L-carnitine	62935	50474	63252	NA	NA	NA	NA	NA	NA	73690360	77331368	73257128	71582320	77938760	75045296	84540	89312	113165	NA	NA	NA	NA	NA	NA
Pyridinedicarboxylic acid	NA	NA	NA	NA	NA	NA	NA	NA	NA	5878847.407234527	5414815.600395264	5383441.046811669	5742919.808984887	5631595.192746097	5453304.777809219	NA	NA	NA	NA	NA	NA	NA	NA	NA
Riboflavin Monophosphate	NA	NA	NA	NA	NA	NA	NA	NA	NA	1517419	1093485	1067933	1323416	1131218	970116	NA	NA	NA	NA	NA	NA	NA	NA	NA
Sarcosine	525240.5726437666	701314.0171575551	357451.20841373305	909724.361278854	490957.1230177793	608395.1409257344	405015.3204013049	187317.1050511339	345895.77711983613	5918628.366786595	6244361.669380452	6505756.434266742	6266865.872634674	5979550.199723148	6186648.490305113	NA	NA	NA	NA	NA	NA	NA	NA	NA
Serine	4515635	7649999	3936649	NA	NA	NA	NA	NA	NA	2902958	3203254	3188674	1829402	2357684	2500650	5144370	8101166	6474962	NA	NA	NA	NA	NA	NA
Stachydrine hydrochloride	7749240	7416006	6918055	1126703	2020271	1678307	2955887	2315316	2460891	31579482	32688604	32756046	30374466	34770116	34014592	NA	NA	NA	NA	NA	NA	NA	NA	NA
Succinylglycine	NA	NA	NA	NA	NA	NA	NA	NA	NA	788377.3139313825	811108.7677178299	858929.1966322189	666388.1114888483	753885.8143865269	802912.6450605838	NA	NA	NA	NA	NA	NA	NA	NA	NA
Thiamine monophosphate	NA	NA	NA	NA	NA	NA	NA	NA	NA	1215332	1305779	1216665	861452	1033246	903594	NA	NA	NA	NA	NA	NA	NA	NA	NA
Threonine	NA	NA	NA	NA	NA	NA	641860.7186654033	259292.2892550727	515623.68922834133	6793765.568450037	7276351.743303645	8145778.49153318	6305828.87296413	8385059.817873937	6850246.103150784	NA	NA	NA	NA	NA	NA	NA	NA	NA
trans Hydroxyl proline	NA	NA	NA	NA	NA	NA	165954.86363708804	345237.22839171666	262438.8136511489	13600170.032750849	13157087.688497772	12964776.816221043	13749291.681032654	12941512.219002098	13427277.082116308	NA	NA	NA	NA	NA	NA	NA	NA	NA
Trigonelline	38983824	31289628	33339078	5277081	8932684	7848948	6289983	7596008	6158276	27044546	30203242	30111786	26383324	30161362	29604300	2447768	5763791	5934156	NA	NA	NA	NA	NA	NA
Trimethyl-L-lysine	NA	NA	NA	NA	NA	NA	NA	NA	NA	8973351	9467279	9114069	8333980	9496176	9207198	NA	NA	NA	NA	NA	NA	NA	NA	NA
Trimethylamine N-oxide	434063008	403748544	562661120	25966166	43247148	38066496	21369098	23221758	20177242	82024480	85544984	85803032	80862160	90120176	89947456	7272081	9124623	9161857	4703859	2933888	4664000	649619	649069	778138
Trimethylamine	NA	NA	NA	NA	NA	NA	NA	NA	NA	698642	614348	499240	872910	573768	494542	NA	NA	NA	NA	NA	NA	NA	NA	NA
Trimethylammonium Propionate (TMAP)	4679681	4255983	4956806	2226187	3597547	3201003	54574752	68711032	58179572	95561944	104532856	100817384	93838976	100136576	103885128	699806	1238433	1309503	NA	NA	NA	NA	NA	NA
Turicine	3630631	2544792	3090857	681990	1276176	768011	835310	958952	627597	134587792	143010416	125540760	127595808	147272592	125770232	503080	490834	490280	NA	NA	NA	NA	NA	NA
Tyrosine	1696608.1920655156	1578258.8566153173	909903.8064467198	NA	NA	NA	NA	NA	NA	7980953.604915056	7990150.614138596	8599843.170764836	8142728.433211953	8393025.755791474	8789393.629195739	778204.7138436824	1266627.7082767645	634455.3353410353	2060784.0111909923	2361528.5191765954	1905579.8375293612	952634.8337742062	925732.0256833908	923576.6400955603
Valine	3708767.97520201	30111048.992035534	5626180.727821525	NA	NA	NA	NA	NA	NA	12927547.122379208	12586640.10987042	14704670.753808243	9485779.429284103	14864946.404181335	12547689.473199047	2152458.989908529	5005370.025488832	2830312.6077029444	NA	NA	NA	NA	NA	NA
PQS	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	113904	213471	47007	94830

metabolite_name	Emperical.Formula	ionization_form	Column	RT_min	m.z	KEGG_ID
Glycine	C2H5NO2	[M+H]	HILIC	11.51	76.039854	cpd:C00037
Alanine	C3H7NO2	[M+H]	HILIC	11.3	90.055504	cpd:C00041
Arginine	C6H14N4O2	[M+H]	HILIC	17.93	175.119501	cpd:C00062
Asparagine	C4H8N2O3	[M+H]	HILIC	11.86	133.061318	cpd:C00152
Aspartic acid	C4H7NO4	[M+H]	HILIC	12.86	134.045334	cpd:C00049
Cystine	C6H12N2O4S2	[M+H]	HILIC	13.1	241.031677	cpd:C00491
Glutamic acid	C5H9NO4	[M+H]	HILIC	12.41	148.060984	cpd:C00025
Glutamine	C5H10N2O3	[M+H]	HILIC	11.7	147.076968	cpd:C00064
Histidine	C6H9N3O2	[M+H]	HILIC	11.45	156.077302	cpd:C00135
Isoleucine	C6H13NO2	[M+H]	HILIC	8.17	132.102454	cpd:C00407
Leucine	C6H13NO2	[M+H]	HILIC	7.63	132.102454	cpd:C00123
Lysine	C6H14N2O2	[M+H]	HILIC	17.5	147.113353	cpd:C00047
Methionine	C5H11NO2S	[M+H]	HILIC	7.96	150.058876	cpd:C00073
Proline	C5H9NO2	[M+H]	HILIC	9.49	116.071154	cpd:C00148
Serine	C3H7NO3	[M+H]	HILIC	11.86	106.050419	cpd:C00065
Threonine	C4H9NO3	[M+H]	HILIC	10.92	120.066069	cpd:C00188
Tyrosine	C9H11NO3	[M+H]	HILIC	9.76	182.081719	cpd:C00082
Valine	C5H11NO2	[M+H]	HILIC	9.09	118.086804	cpd:C00183
trans Hydroxyl proline	C5H9NO3	[M+H]	HILIC	10.07	132.066069	cpd:C01157
Hydroxylysine	C6H14N2O3	[M+H]	HILIC	16.37	163.108268	cpd:C16741
Aminobutyric Acid	C4H9NO2	[M+H]	HILIC	11.155	104.071154	cpd:C00334
Dimethyl Glycine	C4H9NO2	[M+H]	HILIC	8.97	104.071154	cpd:C01026
Betaine	C5H11NO2	[M+H]	HILIC	7.86	118.086804	cpd:C00719
Cystathionine	C7H14N2O4S	[M+H]	HILIC	13.14	223.075255	cpd:C02291
Adenosyl Homocysteine	C14H20N6O5S	[M+H]	HILIC	10.85	385.129416	cpd:C00021
Adenosyl Methionine	C15H22N6O5S	[M+H]	HILIC	13.01	399.145066	cpd:C00019
Chitobiose	C16H28N2O11	[M+H]	HILIC	10.21	425.177138	cpd:C01674
Sarcosine	C3H7NO2	[M+H]	HILIC	10.6	90.055504	cpd:C00213
Carnitine	C7H15NO3	[M+H]	HILIC	10.21	162.113019	cpd:C00487
Citrulline	C6H13N3O3	[M+H]	HILIC	12.21	176.103517	cpd:C00327
Cys-Gly oxidized	C10H18N4O6S2	[M+H]	HILIC	11.85	355.074605	NA
Homocysteine Thiolactone	C4H7NOS	[M+H]	HILIC	2.78	118.032661	NA
Argininosuccinic Acid	C10H18N4O6	[M+H]	HILIC	13.69	291.13046	cpd:C03406
Homocystine	C8H16N2O4S2	[M+H]	HILIC	12.58	269.062977	cpd:C01817
Homoserine	C4H9NO3	[M+H]	HILIC	11.32	120.066069	cpd:C00263
Methionine Sulfoxide	C5H11NO3S	[M+H]	HILIC	9.73	166.053791	cpd:C02989
Ornithine	C5H12N2O2	[M+H]	HILIC	16.79	133.097703	cpd:C00077
N(e)-Acetyl-Lysine	C8H16N2O3	[M+H]	HILIC	9.71	189.123918	cpd:C02727
N-Acetyl-Serine	C5H9NO4	[M+H]	HILIC	6.27	148.060984	cpd:C00979
Stachydrine hydrochloride	C7H13NO2	[M+H]	HILIC	7.18	144.102454	cpd:C10172
Trigonelline	C7H7NO2	[M+H]	HILIC	8.36	138.055503	cpd:C01004
Butyryl-L-carnitine	C11H21NO4	[M+H]	HILIC	4.47	232.154884	NA
Glucosamine	C6H13NO5	[M+H]	HILIC	9.97	180.087199	NA
Glycerophosphocholine	C8H21NO6P	[M]	HILIC	10.86	258.110652	cpd:C00670
Acetyl-L-carnitine	C9H17NO4	[M+H]	HILIC	7.22	204.123584	cpd:C02571
Ophthalmic Acid	C11H19N3O6	[M+H]	HILIC	10.73	290.135212	NA
Propionyl-L-carnitine	C10H19NO4	[M+H]	HILIC	5.63	218.139234	cpd:C03017
Trimethylamine	C3H9N	[M+H]	HILIC	5.96	60.081324	cpd:C00565
Trimethylamine N-oxide	C3H9NO	[M+H]	HILIC	6.59	76.076239	cpd:C01104
Arsenobetaine	C5H11AsO2	[M+H]	HILIC	7.06	179.005326	cpd:C19331
beta-Alanine	C3H7NO2	[M+H]	HILIC	11.39	90.055504	cpd:C00099
Betonicine	C7H13NO3	[M+H]	HILIC	8.45	160.097369	cpd:C08269
Deoxyadenosine	C10H13N5O3	[M+H]	HILIC	3.44	252.109665	cpd:C00559
Dimethylsulfonioacetate (DMS-Ac)	C4H9O2S	[M]	HILIC	8.39	121.032327	cpd:C03392
Gonyol	C7H14O3S	[M+H]	HILIC	10.74	179.074191	NA
Hordenine	C10H15NO	[M+H]	HILIC	3.34	166.123189	cpd:C06199
4-Hydroxyisoleucine	C6H13NO3	[M+H]	HILIC	8.34	148.097369	cpd:C20802
Melamine	C3H6N6	[M+H]	HILIC	6.68	127.073219	cpd:C08737
Methylmalonyl carnitine	C11H19NO6	[M+H]	HILIC	9.67	262.129063	NA
Turicine	C7H13NO3	[M+H]	HILIC	8.48	160.097369	cpd:C21513
Acetylcholine	C7H16NO2	[M]	HILIC	13.37	146.118104	cpd:C01996
Trimethylammonium Propionate (TMAP)	C6H13NO2	[M+H]	HILIC	9.38	132.1018	cpd:C08263
Cysteinesulfinic acid	C3H7NO4S	[M+H]	HILIC	10.74	154.017406	cpd:C00606
5-Methylcytosine	C5H7N3O	[M+H]	HILIC	5.53	126.066737	cpd:C02376
Anserine	C10H16N4O3	[M+H]	HILIC	8.55	241.130066	cpd:C01262
beta-Glutamic acid	C5H9NO4	[M+H]	HILIC	11.9	148.060984	NA
Carnosine	C9H14N4O3	[M+H]	HILIC	10.47	227.114416	cpd:C00386
Hypoxanthine	C5H4N4O	[M+H]	HILIC	5.51	137.046336	cpd:C00262
Trimethyl-L-lysine	C9H20N2O2	[M+H]	HILIC	17.14	189.160303	cpd:C03793
6-Methyladenine	C6H7N5	[M+H]	HILIC	3.97	150.07797	cpd:C08434
N-Acetylglucosamine	C8H15NO6	[M+H]	HILIC	8.55	222.097764	cpd:C00140
N-Acetylmuramic acid	C11H19NO8	[M+H]	HILIC	3.35	294.118894	cpd:C02713
(3-Carboxypropyl)trimethylammonium (TMAB)	C7H16NO2	[M]	HILIC	9.91	146.118104	NA
Pyridinedicarboxylic acid	C7H5NO4	[M+H]	HILIC	10.17	168.029684	cpd:C03722
Ergothioneine	C9H15N3O2S	[M+H]	HILIC	11.29	230.096324	cpd:C05570
Glutamylphenylalanine	C14H18N2O5	[M+H]	HILIC	9.55	295.129398	NA
Acetylglutamic acid	C7H11NO5	[M+H]	HILIC	11.84	190.071549	cpd:C00624
Succinylglycine	C6H9NO5	[M+H]	HILIC	12.58	176.055899	NA
Adenine	C5H5N5	[M+H]	HILIC	4.72	136.06232	cpd:C00147
Cytosine	C4H5N3O	[M+H]	HILIC	7.41	112.051087	cpd:C00380
Guanine	C5H5N5O	[M+H]	HILIC	8.61	152.057235	cpd:C00242
Adenosine	C10H13N5O4	[M+H]	HILIC	4.46	268.10458	cpd:C00212
Cytidine	C9H13N3O5	[M+H]	HILIC	8.55	244.093347	cpd:C00475
Guanosine	C10H13N5O5	[M+H]	HILIC	9.06	284.099495	cpd:C00387
Creatine	C4H9N3O2	[M+H]	HILIC	11.34	132.077302	cpd:C00300
Glucosylglycerol	C9H18O8	[M+H]	HILIC	10.1	255.107995	cpd:C11546
Hydroxyectoine	C6H10N2O3	[M+H]	HILIC	11.07	159.076968	cpd:C16432
Ectoine	C6H10N2O2	[M+H]	HILIC	9.25	143.082053	cpd:C06231
Homarine	C7H7NO2	[M+H]	HILIC	6.19	138.055503	NA
Muramic Acid	C9H17NO7	[M+H]	HILIC	11	252.108329	cpd:C06470
PQS	C16H21NO2	[M+H]	HILIC	2.16	260.165054	cpd:C11848
Riboflavin Monophosphate	C17H21N4O9P	[M+H]	HILIC	8.6	457.112444	cpd:C00061
DMSP	C5H10O2S	[M+H]	HILIC	9.325	135.047977	cpd:C04022
Glutathione Disulfide	C20H32N6O12S2	[M+H]	HILIC	14.98	613.159793	cpd:C00127
N-methyltaurine	C3H9NO3S	[M+H]	HILIC	6.06	140.038141	NA
Thiamine monophosphate	C12H18N4O4PS	[M]	HILIC	11.5	345.078641	cpd:C01081
Choline	C5H14NO	[M]	HILIC	15.265	104.107539	cpd:C00114