metabolite_name	UWIM-11164	UWIM-11165	UWIM-11166	UWIM-11167	UWIM-11168	UWIM-11169	UWIM-11170	UWIM-11171	UWIM-11172	UWIM-11173	UWIM-11174	UWIM-11175	UWIM-11176	UWIM-11177	UWIM-11178	UWIM-11179	UWIM-11180	UWIM-11181	UWIM-11182	UWIM-11183	UWIM-11184	UWIM-11185	UWIM-11186	UWIM-11187	UWIM-11188	UWIM-11189	UWIM-11190	UWIM-11191	UWIM-11192	UWIM-11193	UWIM-11194	UWIM-11195	UWIM-11196	UWIM-11197	UWIM-11198	UWIM-11199	UWIM-11200	UWIM-11201	UWIM-11202	UWIM-11203	UWIM-11204	UWIM-11205	UWIM-11206	UWIM-11207	UWIM-11208	UWIM-11209
(12 or 13)-methylmyristate (a15:0 or i15:0)	26651196	20660780	24329296	14950873	13466579	4090202	25538496	13882053	27896470	10178190	8659135	7553590	5458700	8484332	8019151	16402382	8665436	6237656	23208892	19621620	11746554	6167773	6031990	10155440	14486872	7994879	12857879	19623558	6869627	22011004	11658198	34717068	6437086	12627734	25550314	5981605	11454807	4856604	15782579	17907192	17202274	11489838	27319900	16270966	6069857	14831993
(14 or 15)-methylpalmitate (a17:0 or i17:0)	36826492	35651384	30570036	21158266	29597932	9059542	31342304	40820008	51946752	19389070	15543783	17125486	13416382	13211460	11983086	31449874	20494636	16176766	38297880	38952320	29369742	12418265	21750464	19288232	39147500	17427416	25618540	40301996	11616607	37541700	24713852	45435904	17894876	23525328	28079852	8123203	32704986	9155173	34992280	34475408	40251232	30563744	61996780	18121860	12134353	28492386
(16 or 17)-methylstearate (a19:0 or i19:0)	1299716	1773483	1337002	1501234	1080282	570053	2276446	1620610	2322299	964072	1087912	1099307	858885	913936	881843	1335421	1119002	1385224	1936710	1650077	2058257	1134619	1952294	969238	1864404	987759	1450768	2077116	837342	2505303	1074354	2694223	1445140	1176302	1672584	732018	1638830	562012	1409058	1471591	2149319	1461230	2382594	811648	1564003	1298184
1-(1-enyl-palmitoyl)-GPE (P-16:0)*	2102620	1231510	2483183	4329769	2559574	1740671	2142285	1674756	3082445	2308555	1804369	4284528	4668939	3777015	2031460	836787	2435348	3320180	1550196	1968045	2231024	2138604	1716706	1138193	3025560	1701444	1944993	3251394	1155420	3113817	1367135	2251910	3657615	1446538	3432847	1976429	2521058	2423959	2029947	2815454	2580397	1472824	3960216	1865402	2812271	2154111
1,2,3-benzenetriol sulfate (2)	786079	608021	257916	151698	919499	283091		685622		13019922	601663	1795809	928224	61420	146901	2002458	470588	107754	66989	434402	51588496	763126	181857	4320093	423167	743622	186011	251416	547340	82198	118090		60821	2531414	4540879	96351	59978	287762	2635790	67170	455680	516376	403407	586313	163379	44701
1,3,7-trimethylurate			39099	78062	162547			193129		72532	53374	41383	239204	79144	277236	532247	217457			158851	40316		91183	149040		91398		560106			208279		86691	590166	531062	203129	264796	203276	326166	150392	67656	58457	344687			324424
1,3-dimethylurate	54033	221092	463968	596452	482596	16835	24362	417710		541648	414915	465485	336365	404406	985464	755279	991662	53676		463819	89445		98393	261061	167633	938024	176470	1259752		48705	535275		635563	1219780	1911739	674904	688891	680511	645572	597340	362018	200932	716075	27613		423006
1,5-anhydroglucitol (1,5-AG)	69680032	41452160	58519984	56864992	101348416	66200768	71253408	96748176	88773072	32432218	47146816	92292152	75716744	78880648	39983260	30420304	58928820	40350012	85116816	92684168	86828904	109638064	99748528	46661752	47467140	35831240	84143112	76202840	48206068	47551120	57095652	105737688	36290572	50324672	50315032	43837972	78892584	43430960	25993304	61405492	61457440	38222600	104022768	71778984	50683152	53097832
1,7-dimethylurate	210713	685978	1043497	1691107	2231989	97858	123463	2094377	79470	1540189	1338631	1237663	2782037	1195168	4364210	3328168	3235724	603715		1694540	580411		1143607	1784000	470244	2533306	202091	5373658	145696	298459	3117757	36328	1764975	5894277	6430937	3062638	1899091	4011319	2656461	2414000	2024075	1398840	3560720	176878		3421291
10-heptadecenoate (17:1n7)	53912544	75853744	27299456	28959598	31824744	10759094	30603432	94452128	63930788	23002382	18870120	20065344	12420014	18685936	15947781	42307000	28331918	23409084	31375526	45948736	29930922	14421972	19549760	28888094	70259584	20536188	28525060	60079176	14655457	39980544	68363280	56649696	23154548	27423106	36904012	15620234	26607934	10494570	45358244	38556400	34488408	30641614	96707816	19468192	21044232	30873248
10-nonadecenoate (19:1n9)	19166164	18365504	10963478	10446630	11520846	5711337	16360274	20007712	28596120	8248687	8449122	7420439	7115561	8825091	8331346	15790971	11521202	9903649	13207203	16045131	12535420	7223809	8511371	10525109	21170118	4662361	9395263	18912776	7453914	17165996	18121308	28435396	10392023	10357383	14492131	5088017	7439146	2150630	18264816	6672080	16155739	16022440	29382876	9435913	10497529	14122821
10-undecenoate (11:1n1)	5147511	7459982	4006693	2647728	6177193	7142063	7189911	3523600	7463986	2304019	4095094	4919993	5009344	5285198	3265269	6744334	7026808	3699820	2401109	4928171	10361930	1871881	2285535	3466907	11241543	3215379	2306211	6622102	3758307	1960844	4902400	9071065	3915987	3726450	4215788	2795984	4050601	2706569	6841952	3198614	4331843	4598815	3512119	4573953	2047205	5428979
12,13-DiHOME	236660	94449	101094	118388				139367	42055	126313					103890	102153	126787	169439	98208		138441	183215	109490	174220		139778	82281	161168		102880	151543		145797	160071	179448	93746	83782		95011	84512	63401	35660	28838		170002	
13-HODE + 9-HODE	1080919	1604666	284716	539527	390001		1124927	1145417	981455	948693		679302	811738	995849	968183	863252	1365046	2058745	930989	949505	1722747	649257		954810	2001282	1241581	1056416	710778	874144	995521	1528335	1130447	1076720	1047833	1456679	456417	267109	343857	1214541	655956	715531	740108	882113	456708	1617016	527400
16a-hydroxy DHEA 3-sulfate	2588068	3256833	709483	1030744	2373078	1111386	1016177	11212585	901466	885231	8178908	1908420	1841357	3268501	2859111	9966098	790583	290344	1354496	1022648	7965941	1799516	3140377	2512310	3912795	917148	639673	3706922	1489411	1088854	5356446	601462	1092534	8597750	2987147	1942224	2532794	2242913	14467945	667619	388188	1336821	1235269	11220284	2761647	2826479
16-hydroxypalmitate	980040	1392986	860529	741668	823667	557903	876375	1109780	865604	825005	734288	941593	789857	519803	340129	1435874	1523803	417186	762051	1235466	1609282	1156351	827989	573054	1802888	786334	641073	1065609	422523	783394	1235760	818340		568816	688354	684232	505551		1017994	797268	507175	811670	853547	955944	576501	1070699
17alpha-hydroxypregnenolone 3-sulfate		57113					81486	73763	21218			108784			15828	42296		43465	34802		107576	55554			76822	32431		46677		116419	39190	76499			40997	93694			102512		41892	52411		46145	47227	27587
1-arachidonoyl-GPI (20:4)*	6162115	4811527	4390013	8972089	7147242	6122517	7013341	5779954	6731153	6266143	7130760	6423935	6191419	5892749	3293757	4212974	7476815	4867116	7157439	7191223	6990367	7116976	4802659	5182230	6527025	4011996	6658822	7824016	3190270	7771344	6774990	8198167	6973112	7076868	8338004	5934330	10877851	6209818	5699956	17057380	8375040	6716304	11725051	6061104	6715514	8002461
1-arachidonylglycerol (20:4)	299254		131772	438430	439701	141402	265053	802848		387001							723226		207618	168756		492256		362046			543304	451104		285166	458085	272767	424189	279645	703536	385983	208742			1351768	240905	177766	245476			
1-carboxyethylisoleucine	20037				28928		17729	42200			10054	19124	56546		27079	40132		48909	177070		66080	12775	138137	38442	15629			35190		43820	24065				20837	62648		64610	32863		26876	86384	28530	34930		72887
1-carboxyethylleucine	22855				21606		18987	53144				31922	68775		44062	50880		62643	195683		67698	30642	120346	44807	17818			56226		33161	46482	40879			30897	76071		52266	31600		40314	134616	24857	39092	32425	40466
1-carboxyethylphenylalanine	84124	83051	107713	58113	93001	62556	85863	178140	47672	58379	60193	101978	182013	105670	92486	260020	77809	159095	534520	113782	282083	98425	365341	121749	81464	115080	53845	237053	118122	149812	156876	123508	71610	95203	154399	201506	111471	171298	171837	100268	108600	352327	162380	199953	118240	232541
1-carboxyethylvaline	109055	96754	114353	60776	118381	40504	119682	150323	53380	58504	108428	94134	193933	70823	126246	123479	63848	164951	486272	128633	236953	68650	311820	143820	64113			137875	60898	138168	120667	100286	50739	86470	122776	272901	93411	176412	105116	137817	88334	283932	122941	90546	109925	171635
1-dihomo-linolenylglycerol (20:3)	162335	57935		158802	406727		118839	639645		136553	241661					51760				88572		280113		226529	442545		97331	556552		183516	357588	287998	239649	132954	216795	263044	55972		154474	459229	96802	49985	243623		188660	119314
1H-indole-7-acetic acid	323870	184986	317512	280612	451314	412718	157504		262773	57181	380522		208416	197376	301743	182994	317779		447452	302290	194862		192107	281186	166878	337781	185231	406529	249436	177090		315864	202921	675272		221697	191576	241167	280170	198112	297626	761013	265005	382242		272286
1-linoleoylglycerol (18:2)	896150	694978	935058	2003879	3819387	2818316	3698833	6434027	2780315	2190788	2830290	2958111	1918317	1442403	1782663	2120909	2777112		1751153	1491860	6972960	8077704	1587917	1375968	2647499	3306042	3541520	4061886	1435591	3384982	3041128	7555309	3943902	2619259	3516803	8817589	3254710	3095844	4422073	6486748	1970316	2094260	2922568	3173579	3575878	3632463
1-linoleoyl-GPG (18:2)*	229633	212725	180721	200068	378612	208490	297679	335661	200301	242036	244447	405167	278433	201843	138425	198438	167564	249949	324289	146469	598107	331787	247905	124963	186535	154198	213721	307689	142405	454328	275355	284944	263518	167436	434737	268851	253555	252050	276532	285154	292591	271966	289556	684183	279703	245504
1-linoleoyl-GPI (18:2)*	1372924	2729810	2053273	2658881	2954687	3289844	4325953	3353298	1967176	2017030	3077328	4567734	2252179	3421109	1378315	1768373	2726817	2476066	2921006	1448998	2837852	3304453	1996351	1711032	2362480	2233526	2498887	2997305	1735791	5429493	2937398	3409685	2580233	2413218	5980640	2972656	5520272	2946059	3000053	5197701	3217118	2508576	2636920	2695246	3122659	1797833
1-methylhistidine	399090	311033	557977	805703	429606	276153	438882	207248	322300	208269	340024	408144	432985	271891	538792	479479	811984	465704	1287233	554964	616991	264566	370580	908658	556337	350536	427230		406290	580331	176325	410963	277526	825959	611144	595273	326478	555106	319238	686453	449736	1741929	451121	329637	295778	676736
1-methylxanthine	397613	638379	2562918	2514831	3226852	520840	162825	2465367	277516	2293084	981325	3993248	3516295	3993709	5443795	4616964	3646596	570419	116020	1521760			601651	1045068	343311	6941438	309601	5362903	286362	236305	3112509		4101486	3338007	12503010	3414704	7902596	4694950	6027816	2317713	2036413	1154668	4018303	265660		1381834
1-oleoylglycerol (18:1)	6326497	2937099	3267972	5858351	7256379	5483386	8661874	14641620	5486602	6149199	7867716	6308400	9723417	6005779	5310128	7296265	11751834		8001413	11810032	9085110	15691601	2389638	6495031	3190425		6831757	11143378	2294836	7963774	10190343	15095165	7768276	9621920	6446636	29022504	5568362	6504088	11381173	9438874	7269485	8727398	16655734	5209518	11487267	11921009
1-oleoyl-GPI (18:1)*	774677	2049245	1284842	2418711	2124385	3883171	2421704	1957808	1584452	1623125	3370327	2653827	2482839	2914551	736577	619209	2192342	1771448	2135812	1501584	739902	2374740	2233992	1840856	1482252	1559492	1402554	1446421	1463038	4910689	1523030	2262103	1433069	1931723	2896411	2688164	5604655	3473525	1624942	10266531	2455865	1305741	1528763	1438467	2246492	2554205
1-palmitoleoylglycerol (16:1)*	150351	1248347	200511	397464	392746		522478			260229						750133			814646	965775							797540	519968		441464				510707	298299	918145				1497316	463314	474004	1737016	310268		
1-palmitoyl-GPE (16:0)	7849149	8660822	10584042	11408777	6803813	8884817	11161796	8791983	7488311	7916154	9078634	12654003	13376150	12550758	8149775	5784428	10052033	11078141	9854300	4997907	5832133	10160783	12855694	9463359	7489942	11184678	6477049	9110931	9025384	14951910	6789990	8089116	11919097	7182681	12374213	15979765	17619792	10121386	8000059	17805088	11101906	5641188	11119293	9295370	10982077	11898294
1-palmitoyl-GPG (16:0)*	195104		109138		262183	120120	257890	134195	214039	96398	143654	208165	198183	150909			117896	202742	266061	140130	227302	179624	277050	97456		127499	77523	265622	89484	256713		119105	107065	135684	148444	184605	192611	132291	168194	412490	219170	172384	282294	282207	80158	180142
1-palmitoyl-GPI (16:0)	447911	745819	502579	995672	1497941	1772239	1026553	1758549	800097	1151585	1333159	1155083	1275861	1074396	521627	468421	1229878	1275274	1064301	735042	606768	1431034	606752	720980	985076	888197	660983	1654827	672379	2107879	1230517	1100584	892459	1172730	1347818	1489342	2331022	1284300	829269	5671729	1586326	609616	1302295	908217	993868	1046886
1-stearoyl-GPG (18:0)	53816		97482		108339	70863	176760		127686				107975	82511		70566		73145	190768	105782	133531		114459	44599		115256		144351	69718	215712		133529		58950	81427	82614	115278		77231	163974		95429	155934	157149		83317
1-stearoyl-GPI (18:0)	3732386	2632278	2970183	6670978	7032509	9588672	7194954	5088991	5470813	6806692	8125096	5810368	7794206	6064587	4360387	2757748	6102321	4174885	3969187	4013348	3829329	11783040	3235514	5017831	4427900	4529981	5144470	5260920	4213823	8981897	6108723	7793460	7912838	5647172	8736615	7335765	11501190	6878669	6512655	17102786	7817629	3878306	8312121	4634907	9079713	9623084
1-stearoyl-GPS (18:0)*	182802			278098	74010				1093036	182274		170283	719633		170384			629074		214512					373362																		457227		176399	
2,3-dihydroxy-2-methylbutyrate	290313	325596	174474	275704	430892	288640	284310	144707	255012	465085	151986	302092	345749	294920	97336	247003	112497	232501	308624	348644	406869	309787	303299	289972	152914	155309	93460	305740	392400		273945	241046	392716	221460	376403	302252	277110	285761	403825	331245	221421	430327	155507	349093	422062	387926
2,3-dihydroxy-5-methylthio-4-pentenoate (DMTPA)*	2800893	1999148	2040891	1868069	2011735	2193453	2158785	2340684	1735918	1750602	2226842	1866105	2199435	2152834	2770045	2640875	2281422	2186215	5844698	2359502	3618540	1769691	2578322	2740237	2018397	2076046	1531774	2447354	2703710	2064848	2155699	1575497	1619445	2723116	2226010	2409759	2093288	2725608	2804039	2102708	2127531	5347349	2522411	3331585	1706753	2970721
2,5-dimethylphenol sulfate			31961			37597	23560			201991		17233	28286	134010	27161	66222	84192	2610807	2246228		9658107		251906	170038				16456	57583	99382		77379	75163				101760		26690	26303	2937329	2917763	32745	10746391		96523
21-hydroxypregnenolone disulfate	327297	1172451	2430466	303468	553678	395190	662026	1213841	396188	714266	598766	700492	761179	1392791	1071752	1063890	476566	636119	2068458	499803	1512971	1075313	708369	351984	578495	3751271	333502	1724181	1192593	821433	1126688	553910	742957	1071723	1533930	998429	910617	982373	1553106	349364	632662	2339414	637442	1362748	1094679	595200
2-acetamidophenol sulfate	715570		238056	1069998		222254				159211	1255783	68048	213525	294792		114233				72229	84210	217635	230601	75404		495590	321507		222970					574238		120943			284339	113652			121695	542023	204873	
2-aminophenol sulfate	5006476	311745	3027332	8443383	142117	1712471	421552	703534	20486	2356192	7162918	1017536	2687996	2099735	639047	2384837	255309	1816202	961736	757061	600453	4803959	3831475	1482875	155337	5486542	2029406	414032	2197975	533264	1140964	65498	1028899	5519998	749322	1587696	684647	591727	2294772	1947981	478354	226266	701349	5114995	4229856	313815
2'-deoxyuridine	77386	162043	102988	92551	87676	74748	106864	92008	50662	93078	78590	62883	91329	84834	112679	141331	88429	123951	135984	87484	131643	189169	148011	118422	100253	134039	129956	87118	121164	150493	107928	136321	63919	92256	84071	156265	144778	106121	119504	90930	161915	156115	93322	66961	100324	179094
2-hydroxy-3-methylvalerate	499212	589524	528804	445864	470298	322118	470786	426673	604525	1386466	614379	901669	612794	364727	624408	643470	400477	480307	875853	601245	690125	321473	504372	1083409	470356	415583	519952	602971	380730	667541	415196	757482	357106	625505	495570	536143	493898	681997	516300	364942	444873	609220	679021	335317	388548	494162
2-hydroxyacetaminophen sulfate*	14091				12154			847853			44010	46672	2471139	29872			71579	4410457		37657							42902	1515163			571896		89750	46009	122273	886040	98208		2743436							
2-hydroxyarachidate*	66547	86509	133394	128882	105091	90662	95535	108167	112184	71958	125719	62188	59993		68181	136508	97347		119693	103696	158093	186197	95351	100726	94167	79619	93006	95811	106335	173925	81285	173339	132293	76005	144418	97645	138265	73273	88363	185362	208242	123785	184602	101848		91047
2-hydroxybehenate	135146	150640	188146	221572	209674	266607	238354	142110	267775	163987	181737	169824	150450	110363	152372	145613	204300	205933	153447	147887	308737	391644	153184	127376	149288	201491	133853	256868	210525	287265	133534	295249	154058	180960	186996	136395	268230	177575	188923	168228	354901	174938	307343	182497	209091	104642
2-hydroxydecanoate	639926	702926	696417	664474	851659	1047812	596096	906781	317967	2516396	1441814	512135	910144	994540	799027	888409	592530	2052919	704365	768597	1664216	1240270	950034	1577346	616069	913619	570929	897111	1735356	499996	451039	839276	2025394	987896	966417	833678	589526	1357806	2437100	601101	1176714	814843	1135839	1960921	1188485	528441
2-hydroxyhippurate (salicylurate)	1220404	251854	395443	494328	304188	866060	24094	881868	237509	582707	212941	89212	200869	370161	51237	1282649	394900	1059641	129118	873355	25197252	100758	1120737	3558030	140426	1066995	87888	3322411	317600	47754	375638	333938	223007	146786	824892	93928	5886033	113080	1369536	172574	290058	174286	1735021	45861416	386962	2455231
2-hydroxynervonate*	899078	658265	484271	918362	514561	782681	616833	486344	616223	562084	719388	505184	635012	590270	708626	515147	694358	620179	520089	524662	1098087	1852367	506484	645049	619243	457006	535130	886672	936932	774186	382607	907643	889221	470835	826599	662352	920390	600024	683626	682314	1037441	649398	995249	787162	896683	529502
2-hydroxyoctanoate	491525	368468	367697	290248	425474	321785	164274	324413	197079	280512	431905	280625	292412	1346358	493263	297020	565140	770617	763936	215243	1790620	336043	299820	415499	426744	399911	217119	599828	144534	180893	311974	325938	274098	398260	496563	413289	253495	622089	433810	277609	545492	932402	203992	1520091	523973	452774
2-hydroxypalmitate	16544111	17243884	14127496	23482072	13286014	14722673	19930816	14785081	17257038	14813644	20328026	15315040	12248386	15547472	10989445	17560504	16106496	15635423	16341765	18105284	20635660	21629888	11119836	13764513	19880596	11513797	17993552	19243108	11322329	28125332	15680876	24933738	17894292	15347698	26779892	14348512	26947016	13000748	21006792	28052252	27998040	14123764	32841674	15267378	18886392	16311994
2-hydroxyphenylacetate	269856	118585	239302	216269	268261	175320	129837		120566	156646	428422	131085	263428	281587	326417	175429			404939	164921	672622	223748		259551		207841	91709	399809	252811	176045			170934	423492	214732		237314	389957	182301	127234	242232	421985	399185	487352		483433
2-hydroxyphytanate*	1109684	1857664	2888919	1645189	1541004	786258	840481	1026814	1039974	353281	1444128	1139576	1060532	1251047	376105	1083273	1529164	2172446	2436117	1945630	2540865	477946	1412344	728621	2087749	3091040	1130922	1963080	763815	2007043	693201	1734958	460574	1170096	2210198	439475	1601159	1104701	1069043	2852253	1690321	1517336	2405141	1107806	595399	828367
2-hydroxystearate	4877448	3890250	6682560	10833769	6492309	5584487	6226523	3902158	5231507	6262508	7216803	6438717	3979750	5062786	4454473	7836474	6434381	8757224	7357655	4748799	7782693	8806135	5182068	5345797	4691989	6138509	8027943	7951331	4524585	12693327	3624511	8068082	5913845	5539096	12666674	4987719	10327401	5539438	6100344	10798418	9698207	7208700	9410967	4497644	7363900	5237547
2-methoxyacetaminophen glucuronide*								164091					327920					1377293										216805			108418					91954			459177							
2-methoxyacetaminophen sulfate*								75914					293803					402712										126275								62050			312683							
2-methoxyresorcinol sulfate								75041		214819											2818741			117623											170785				112247							
2-naphthol sulfate	63821	89467	288992	143663	116938	27012		22322	27291	188367	107522	183949	51612	244691	167839	236328	109194	44671	457036		76916	28134	403579	2800846	154188	135545	59920	150668	47767		25944	190579	286033	1387508	491665	199804	450196	83230	584866	72293	82989	82915		278123		467082
2-oleoylglycerol (18:1)				718750						1710825		309852	1115751			191896			820868	1455867				579357			1598943			351529				549530	841845		755053			1434936	1056004	645134	1550280			
2'-O-methyluridine	86025	54786	75849	68499	77614	67032	43400	60016	63292	65608	62939	80265	83025	46463	73173	59876	82372	54523	47603	53236	65024	54437	87913	57343	54870	80611	75027	40633	54524	38707	47676	43719	70743	60011	61507	59398	58518	71264	84084	74326	78647	66469	55492	78219	62555	57184
2-palmitoyl-GPC (16:0)*	14668553	17340126	18452456	24423662	16792260	18093642	25132648	18996946	16422871	14119171	24579044	27949286	23990320	20380048	16060614	13776280	22976468	18893212	17143532	11174974	16711389	31202968	23714864	14055731	16455397	18705200	15979518	20007320	13094724	34603640	15729911	22392424	20163416	18442952	27018856	26190492	32038274	24350660	21310730	41744188	28882520	11742080	27877492	19443194	22813264	27635056
2-stearoyl-GPE (18:0)*	1354409	1270056	2599547	2673609	1417964	1711438	2431554	1544849	1756099	1621921	2117035	2864882	2532462	2199736	1629215	1099455	1975285	2011307	1814839	1169914	1185092	2395880	2137436	1375998	1379339	2104388	1452478	2063971	1612155	2868297	1162515	1886972	1955020	1687414	2341389	2548485	2997010	1867133	1394630	3227264	2544899	1091649	3071314	1560278	2114532	1948722
3-(3-hydroxyphenyl)propionate	118598	36784	161862	358462	287241	649585		1098507		793279	153173	296300	862162		2198849	863759		809499	405395	173117	90643	1366672	749075	478854		155987		103623	848847		2034436	1552516	172925		718693	133471	24373	1599123	225772	55253	984403	307016	322234	379429	2739990	595453
3-(3-hydroxyphenyl)propionate sulfate	51436			65800	31902	129112		116913		163957	201282	58695	140860		201693	82802		126188	60122			26537	229085	457087		31890		38725	450243		446965	266196	64054	80747	289903	118271	203166	160380	27587		96611	109221	93446	18011	162371	177452
3-(4-hydroxyphenyl)lactate	7195677	8793958	8275933	6821550	9603634	3823315	5239543	7930911	5392409	5587283	5966693	8086526	11044208	8346893	7529250	10424216	5310033	5097495	13244981	9001105	15719691	5070870	10350274	9620975	7556003	8042322	7838704	11591425	6053999	7303253	8598487	6894634	6992578	9393053	9205044	10370674	10091745	9618306	9928012	5984363	7699192	11613740	10286626	12282242	4600749	8502470
3-(methylthio)acetaminophen sulfate*								584609					3234477					905801								121633		1105686			237304		152206			1481642			4704837		177720					
3-(N-acetyl-L-cystein-S-yl) acetaminophen		19952						160475					710687					252896								75607		169877			166232		20575			232748			1070591							
3,4-methyleneheptanoate	99429	238808	175374	471147	308834	997222	252467	359623	81366	232774	182645	375611		116840	97928	586133	187239	530796		442330	596610	113103	159571	136993	405701	177144	392033	612623	222353	500252	158126	287789	124768	180185	637940	100903	256702	220999	603618	71761		129606	305902	992770	127240	238136
3,4-methyleneheptanoylcarnitine		70703	57461	43077	72992	165579	105510	110638			64230	102384			61729	63951	87891	61814	66543	42063	145674		104245		43183	82420	41600	90422	42286	94885	85509	21485	34776	28991	90134	110817	32426	127399	93162		89028	56801		150241		70745
3,7-dimethylurate			134463	26509	50234	177506	81943	60877	95723	63897	100001	40989	193517	44255	84902	303971	77765	35576		117916	232090		204633	470797	34217	134853		149181	251187	126734	62372		41243	285106	458625	155429	163107	132217	327866	33203	78691	136205	69029	59310		
3-acetylphenol sulfate						41042		22579		69614	62276	15831	73590		88824	34071		78864	54942		174584	15848	171354	210020		40307			95970		35362	30319	20149	26233	141530	51577	33628	136498	84919		33700	64062		64648	22247	33110
3beta,7alpha-dihydroxy-5-cholestenoate		1278116	1160788	1186512	1417918	485914	1490673	1058598	1054202	592578	694346	1457975	1123604	1268365	1521468	1034293	939618	9816096	1951156	1075518	5300491	1295016	1435393	192843	794021	1017897	874802	1463055	1507691	449231	1471735	1002211	751975	891789	984491	1206329	1225863	1263866	1364372	862274	1422818	1937167	1179938	4917440	2179580	1751146
3beta-hydroxy-5-cholestenoate	596567	1123045	1331560	1286385	569397	1138948	1023667	674179	814549	665754	1438532	1212540	680630	690051	814253	1418751	1055670	1424907	899734	1250928	1647019	1678264	730293	602944	1197234	730902	771267	815583	1021225	1310940	1020444	1282633	571841	1185053	1689698	818190	1557235	1371856	1547413	1776511	1445610	884547	2290989	1207652	1905694	840169
3b-hydroxy-5-cholenoic acid	78050		62734	69283		63838	44697		78616	69877	33265	45769	39866		83260	35324	86353	69656				156232		27887	35405	30082	41161	26405	69456			54212	86974			31850		93159	59218	97321	44779				97479	54472
3-carboxy-4-methyl-5-pentyl-2-furanpropionate (3-CMPFP)**	11315385	6888320	15976559	8188353	21504376	13131064	13516443	14803104	8232212	9846321	21097364	19794128	16500138	23211912	6722905	16537952	11064080	6952159	12033496	8511171	23145060	7907094	16622106	13382434	6708783	20001672	6897273	23834552	17986592	14878529	11357572	29830548	13047449	14348593	25992508	15937610	14358179	11360677	19902134	5922525	9986945	17851456	7585213	9499178	8914546	12314965
3-carboxy-4-methyl-5-propyl-2-furanpropanoate (CMPF)	113811128	5694670	25425658	23374764	5608261	36705560	23565608	174417184	3625185	96918888	6383087	102715624	50996588	15972851	9271515	7470617	21295704	744901	6660889	3519783	12259098	419580	26315064	81630048	5447413	24076148	23313824	10934066	35199352	20072150	145112912	38581656	101028840	10008127	152392064	62967316	4061491	8101328	8114498	8641355	921395	8509712	6446953	2339760	564827	73673984
3-ethylcatechol sulfate (1)	11631	33919	130885	130916	18102	20790				189132	26447	56747	217005	185963	59963	138291	290792	104908	159429	68947	91454		109225	129281	52664	110593	62530	163034	133515	323346	31971		204958	56032	213793	244800	308991	114632	193811	98670	173811	896492	174955	28018		
3-hydroxy-2-ethylpropionate	1116472	617671	1303504	1630849	1240305	807689	1046465	601656	1029658	954946	1456376	786116	924154	680109	726454	1057009	757180	506547	1978513	1609387	747654	358809	791626	1332237	711860	717600	1455831	906042	927016	1089444	642033	1170571	761557	1199085	912520	889417	1238195	807001	1178121	784578	971313	1673479	1451441	808122	465822	1451630
3-hydroxydecanoate	1076399	1023849	990234	529671	724107	405395	1201888	1492194	1016355	602989	367221	560214	436083	718841	641087	1780950	1531984	474879	453421	1084772	1467666	881338	635932	680701	1508142	640207	678736	1522219	726006	604321	1754459	1858386	928732	634927	1288068	501835	640171	551948	1599148	389774	863443	585541	781287	1510201	1876561	1588929
3-hydroxyhexanoate	864026	512739	673823	569587	675163	654704	747594	691840	735385	463458	440319	436174	335275	785481	600609	1211986	538813	366937	537119	589220	711873	528264	415488	792702	557195	332726	697005	747636	761325	505172	956256	890709	672437	636847	1262749	407423	1054229	492746	1151575	384646	646165	647731	633931	960079	640355	711479
3-hydroxyhippurate	1069694	92457	916239	835347	989855	1203285	144213	2862846	121671	1825171	1312015	768308	4632801	250503	7402612	1491481	284106	3307482	2081335	626250	300910	2057371	3716855	3676757	174042	861658	194500	855984	2671764	284603	6443757	4499336	1127990	583842	2137754	1848226	1030150	8823104	542860	257091	3366435	2220250	2043303	584624	3664082	2117524
3-hydroxyhippurate sulfate	58325				51680	57610		98749		70608	104618	47325	229118		284008	42329		125029	124939				313243	197253		20504		37109	127510		284365	204539	68055		240766	61807	44020	307471			130807	147580	107774			135161
3-hydroxyindolin-2-one sulfate	41203			38338	116249	44397	42856						45569	38948		71992	40834	26971	81366	42696			56014	50098			26961	108233	72984	79532	29303	68048	53612	45873		49248	68706	33828	86362			104145	31427			
3-hydroxylaurate	1436636	1322338	1113390	554114	779588	417173	1304813	1454913	2719567	540527	578092	510507	437142	357500	1031040	1880929	1625819	581330	340085	1005613	1004939	896381	418703	812595	1420484	545847	949363	1917788	634249	689975	1749169	2773098	864199	898089	1372789	701627	972456	337308	2333168	494757	897738	604664	817588	1044629	1966338	2168075
3-hydroxymyristate	2055201	2421486	2027464	1257910	1515287	877358	2790196	2435913	2536488	1671967	1529557	1914629	799551	1109264	1139537	3613510	2487874	1267916	1380219	2502724	2300491	1705108	1071478	1107733	2269588	981980	1707623	2232207	967898	1913370	2256177	3500749	1686033	1538542	2513099	928335	1350640	931162	2886919	1348152	2281898	1462823	2245055	2163059	2340005	2185111
3-hydroxyoctanoate	870729	521379	619102	364695	409562	404097	667308	774902	546743	364554	326511	351443	282971	521858	438583	1243573	652678	396621	361900	599171	1236865	624477	477613	810837	658683	424265	474270	685398	621427	417196	729196	987012	563794	460420	872216	254293	495159	508527	1089661	331350	669808	553651	542463	1268399	857582	776648
3-hydroxyoleate*	8079162	7458867	9290244	9451316	8134197	5169630	9509766	8474831	10688630	6636942	8452776	8074730	3493670	6177285	9495480	17320992	7879416	5354559	6995926	12620822	8323784	10377764	6173979	5235089	8389099	7614670	5086302	11240732	5381193	10942137	9428656	13708695	7546811	8609196	12502131	3534524	13489642	8981502	14241444	11877079	12194420	3798988	18973674	9627471	10736100	6845782
3-hydroxypyridine sulfate	725173	481673	1537054	2120270	131279	659735	100237	709820	105403	894524	904978	1492126	5235443	1868237	1933515	1945650	1181791	621787	729462	1398304	624689	96137	387565	1747040	760566	4071252	1434929	1775928	714528	811716	1103587	111129	1197445	668990	5320121	4952421	3055726	3089868	3020214	1048193	1403295	2624926	2267508	473197	102588	231692
3-hydroxysebacate	115024	104188	113587	103701	65934	104760	140983	86072	121303	79979		27923		175303	87068	334391	143385	202377	319997	150418	683936	227198		153490	124173	118430	76767	319077	317367	108864	198370	123426	86186	105460	290183	32911	209273		187158		49960	521482	132637	411214	258262	323574
3-hydroxystearate	644270				951237		1119954						901677	797521			1324000			1010482	1507463	1319413		281533				607348	523165			1189749	697896	1071707			1368434		1215384	1397057	1416320		1929125	1035705	679837	1193999
3-indoxyl sulfate	22260368	22226100	36953172	26213374	44637884	21584014	27617724	19086258	8195504	12829720	35670552	19642756	39526896	14715349	45502104	51108396	23820008	30883744	67247728	30289668	19479962	16448627	46884328	26498188	24519838	36013412	26338148	32669992	20424052	35140248	22477748	27984572	25606944	29411206	29937900	36839320	8077851	25546080	53976208	36301220	30681052	46648912	24813220	12064448	15253949	25359612
3-methoxycatechol sulfate (1)	953246	377270	826048	243667	957338	1329031		487806		6026250	769133	1922826	1876598	63483	139775	125383	1019212	48569	307815	384270	13570709	2278185	556197	1862912	301853	945775	792305	959889	663926	235698	162883		81511	1948268	4488056	400828	79938	280365	55725	148987	633931	1677105	356378	2369248	551876	193612
3-methoxycatechol sulfate (2)	336702		130491	332942	74761	70891				144217	384726	49800	97461	106284				74313	102229		255201	131978	129262			162206		42301						348195				47144	51065			108943		128562	126457	
3-methoxytyramine sulfate	34909	33643	55156	50391	58818	24072	27182	62280	28594	78255	40184	27195	32054	141303	33636	41391	54584	20989	39285	39838	74263	23712	41896	41495	39193	44958	59819	53941	52039	24647	59391	30669	57548	63360	45726	30078	86788	28462	28202	36845	25167	43006		44974	26089	42644
3-methyl catechol sulfate (1)	313761	195694	712053	903440	132951	147885	49408	156634	47117	521700	658027	455326	1889306	834522	878636	1100853	1322963	453510	1067189	453134	664448	64112	1382338	1526781	190719	957330	254345	709371	1220011	1159603	179764	87165	1110142	629914	1749476	1635387	878350	1304892	1467699	541173	1091710	4238527	1004303	151765	34144	198698
3-methyl-2-oxobutyrate	10081079	9633841	11634210	8987726	9447036	5972069	9728837	9107287	12226968	9747983	7493539	10371171	11395489	7741850	7608374	8728484	7792180	8918127	12908599	10742687	10966970	9037874	11167274	10433302	9672866	7157630	11712678	7431499	7086732	8816249	9370306	13801531	7002999	11483893	11479593	10633223	7037919	7749022	9252407	7850657	10510381	10400082	8761989	8407057	8964733	8168130
3-methyl-2-oxovalerate	34772200	32278934	34902140	32828480	23086338	24558536	26237682	23442608	43540704	29408408	22665212	36813724	42059280	26023432	34650384	32285674	27008792	31446272	43592148	31927276	49391368	31132688	43474912	43227892	37922400	26170264	30578150	22594090	24299764	30780890	27553870	42482248	23608354	31617128	31028784	38966108	27066104	29994412	33089272	20295236	30267400	38425864	25940804	36208324	31867992	45044644
3-methylhistidine	11483031	3231465	20704228	15423111	9867490	1590110	2072668	5541141	2477291	409042	428911	4239544	2590886	325259	10010933	977920	21217480	3847238	7913966	9243467	22989520	232212	2505322	29098448	10145852	2376562	8175716	1325557	2482924	1334646	785721	23210942	4065957	18495820	5552218	8728324	165145	1624189	476304	1604916	2516919	25038500	3250896	4436768	167019	1303564
3-methylxanthine	317997	469724	2407074	1100109	1157806	2003892	2250214	3114606	2510322	3008965	5987077	1249774	2428455	1907935	2570257	5155354	2716442	985419		1661668	6521839		4902443	12055462	1015940	2953238	404812	9954842	3350994	3995101	1875350	682089	1472450	9714103	10818107	2474329	4671008	4057030	3132568	1344903	3053828	1942098	1427957	2963524	202736	1368005
3-phenylpropionate (hydrocinnamate)	1001538	221559	1167575	2685572	671437	1994651	278397	80506	462491	2809896	2372153	1333117	3093394	1049122		1350509	1113956	81719	108772	773065	200607	207210		2069372	162324	641426	1582440	384811	2124421	332902	189229	2385735	2718306	759984	2082119	1347112	541878		2168060	1036545	71182	1068366	973112	511686	96707	
4-acetamidobutanoate	519988	371785	355119	388874	324569	257880	368731	319274	218317	382891	380960	295349	203423	180348	236616	492222	352851	140492	349718	381123	319315	184558	373477	568292	251832	248952	346934	270201	231273	353737	274017	245519	219872	476968	351023	220220	256588	288802	438656	321991	290000	341300	344880	330631	159042	357131
4-acetamidophenylglucuronide								1772956					3380707	28767			43432	10125871										1407014			1009209		52702		56184	1037495	28767		8722568							
4-acetaminophen sulfate	46155	43704	40581	28731				4187840				24003	9452253	242084		27148	267489	14088524						63157	23096	65636	92378	7028240	33523		2943687		257531		208818	4029371	254745		12403880	86186			46787	25243	19982	
4-acetylcatechol sulfate (1)	137131		107803	107453	29319	56751		43642	61906	129951	193081	39346	73078	53755		49920	35264	36827	107128	26094	181107	44495	32865	497327		65104	36950	33371	178160	34023	22198	50767	60140	111388	57128	41788		40485	70526	35475	51516	101168	80300	83189	37021	26344
4-acetylphenol sulfate	68852		75322	45299	112437	115202		47434		75675	487644	14844	124912	25698		35643			92850	34848	47895	21355	38030	70302		37140	102598	83313	81736		45915	18802	53709	1395762	20081	136171	48349	46240	42589		68518	74723	32190	57859		58076
4-allylphenol sulfate	1729181	5870332	2986780	2068894	1844822	2027024	1041376	4397013	1987972	3245248	5191074	273487	4640319	2142109	2485317	5083997	6425304	496190	5775176	2412403	27968270	4365892	539204	912746	4762267	756235	607100	2469400	1144952	657910	360090	3824158	4649816	1936857	2047194	5161263	1241341	3142667	1034234	898351	533467	1787941	1015187	10583048	2134764	1740844
4-ethylphenylsulfate	1824386	2038889	7738314	1212427	1766437	13144109	612879	8732794	227100	714523	16577892	562477	27001486	1173906	3826097	4726689	1980384		6596319	3013297	1287196	392023	1823361	1456798	1624034	816443	5276131	8057759	687984	398807	16239013	1218163	313491	56761884	1813314	32444056	4391444	4249145	967863	1088206	1257753	2839671	2508404	1610730	242403	2674590
4-hydroxychlorothalonil	761975	1441955	1738615	2753748	1564480	2760032	1874698	3299381	1315546	4782376	1799765	1351242	2602605	2423620	2203675	1622156	3266600	1091811	1323223	2437458	4242976	879211	10408008	677577	1578960	2011373	2313720	2271930	4402854	4363986	1949662	2294934	4131706	2165563	2523476	3506280	2547308	2306313	1298274	3724274	851071	2316392	3624681	2578442	1131723	12983703
4-hydroxycoumarin	293134	35158	292527	247897	53592	98413	69508				641381	220910	134797	220110	45492	84155	183292	408776		62417	2071166	28245	263777	232789	70139	163651	105259	145213	137437	133536		71914	242421	180764	210671	286981	131150	33057	103384	712130	96877	688158	65316	498913	13064	543715
4-hydroxyhippurate	468668	395740	662242	779208	575445	492462	475112	1537104	275209	2543005	904268	194757	591703	328270	1249984	767458	1923867	1948392	7834595	293401	1221028	1398558	1139912	1584377	472765	735960	844161	1206280	1118826	894956	2832035	748076	291971	790181	699765	545987	613479	2294687	396922	1351013	1666356	1079402	774819	534348	1951356	1152977
4-hydroxyphenylacetate	168456	74493	188597	222239	106716	276272	176448	412140		191689	532359	89199	167031	164351	254708	405510	164669	197770	239316	145128	148080	144269	211149	357827		222227	199308	198695	176136	179233	235125	85021	128664	301111	334894	132339	135374	263772	197230	155178	153777	459675	240875	85412		
4-hydroxyphenylacetylglutamine	95217	24591	95051	118099	57403	33634	60293	155055	20878	51969	257009	40191	169450	115862	201190	115317	120070	115844	323433	67073	153224	46783	109523	165604	38391	139632	113342	105082	36303	145593	97504	44451	38397	143247	79752	92404	78023	311413	95938	101141	93919	461252	93832	120065	40866	
4-hydroxyphenylpyruvate	819600	1153771	1017312	1196124	1089468	805581	721010	1053357	816515	950677	698407	771749	1008164	1194713	810704	1023907	1125378	999386	1581338	1142287	1568698	802804	1227480	1702441	1314470	1300083	1092149	1135741	1306746	1054684	1151941	1181913	1125749	1150230	941040	1127725	1160486	1128614	1040834	1100181	1009595	1337001	1247195	1272789	806199	1464246
4-methoxyphenol sulfate	395597	142449	235306	1468959	217740	236164	15200	57096	38641	431609	1311941	101841	349225	218968	128933	213587	211787	272112	116836	72871	306234	393317	484557	300990	139608	409070	131630	73796	388049	18258	71161	49703	73656	430767	135641	254373	40659	160629	142834	172440	60434		198848	397418	332462	171197
4-methyl-2-oxopentanoate	55769640	55416376	60006920	59451812	36380164	42744272	42257208	39250032	59039804	57811252	39709144	63565800	80910824	45471592	56606648	49662352	54661080	57088204	72742016	52343448	89438472	69059648	74123304	62275320	69091528	42281808	57364844	37174500	40128488	46447316	48481080	74361856	43765304	59855828	62663552	73805120	44138964	50559584	48218696	40748804	60981300	62302264	45366360	58060032	58428284	60775648
4-methylcatechol sulfate	8718543	2880009	7742052	9122653	34249828	5030748	6151789	5053847	1989988	12185110	15484358	19125906	15450791	19249356	13517439	11881470	21658346	9006372	8734926	4549288	3641235	2329524	8702773	13937171	1631920	6522217	8829667	18452194	10285934	13891857	6026429	22238196	20618590	19169674	44066516	14120583	14338579	9047982	12726051	19719624	12889193	13411521	5609063	5457582	11232531	7128310
4-methylguaiacol sulfate	90100		92699	245172	1257904	118138	147282	200331		63427	240480	508827	233456	307780	287228	205546	599724	74159	189814	74497	52172	13049	199602	180994		101103	316258	342555	286094	363179	120734	323555	170149	256201	1744530	220542	342625	243778	144281	551345	179655	450046	81898	51383	86251	182692
4-methylhexanoylglutamine	47694	46001	68181	19324	33173	17805	28754	56506	39747	20663				98498	56072	99510	55255		26614	66613	47354		70872	250091	62507	55173	16191	132853	87603	21889	49907	67213	48207	134702	32170		104011		41978		34746	76136		28092	23748	133186
4-vinylphenol sulfate	13470221	8401411	7873470	2331135	7344669	10332068	673212	3888704	2010264	26188584	83235592	4918918	4856282	4700552	6554392	10715991	10693430	16005035	1792742	2165409	3730389	11083013	4870376	7408849	2845649	4091884	1575528	8490416	5974757	271842	4387086	10442797	7712854	49721560	5215777	6861558	3033825	33606444	5630781	3246893	17054432	3022244	5788147	3240124	1049628	9895013
5,6-dihydrothymine	191439	174310	168768	184202	213472	153171	145717	372985	218410	130987	140851	222571	231022	242105	316620	289051	155263	188773	298947	206697	196951	194424	270026	351884	253246	206090	137087	240194	196548	211519	285004	174617	200116	178243	285690	231232	286901	226446	310426	147104	242135	176813	230802	207971	246914	254388
5,6-dihydrouracil	130304	169817	128896	147118	130085	81185		173360	131231	85855	138518	139255		117632	126496		140789	137925	120308		105049		140813		62974	132718		111941			155913	136740	83315		174113	170174	141297	97697	150726	88425	119167	151944	111967	54106		60643
5,6-dihydrouridine	3366444	2532410	2487891	2399641	2912661	2158698	2282707	2607843	2396868	2228579	2038694	2159801	2631980	2989754	2440391	3092461	2743120	2115916	4471056	2967432	3531939	2668208	2773291	3063670	2866533	2477499	2263961	3803886	2767377	2189617	2894925	3435934	2065702	2697396	2194429	2553323	2593293	3211455	2841763	2290339	2375994	3721920	2929197	2403955	2815049	3352854
5alpha-androstan-3alpha,17alpha-diol monosulfate		98570			168616	73240	38908		100251			50883	76101	71122	41762			104647	86273	104349	159781	170946	50488		143786		22129	159146	42954	49377		77556			54419	38702	59378			21966	89733	108440	114807	126207	96579	61041
5alpha-androstan-3alpha,17beta-diol 17-glucuronide					16485							72143	78590	46496	116052	258859	51640	130015	194007	61768	350868	52678	140747		24000			44492							114067	62943	32650	143178	102168		80433	230632	77270			153163
5alpha-androstan-3alpha,17beta-diol disulfate		286877	28353		81764					43436		157982	216116	262405	264402	254622		143495	1320800	425439	1191169	264088	572800					150311	31305	27356		69968	50316	45610	151204	229701		252513	339194		575475	1601714	449868	108672	559575	370400
5alpha-androstan-3alpha,17beta-diol monosulfate (1)		914683	118295	95859	1075650	107851	178512		277356	294695		168109	449603	277353	162994	51092	238225	861016	1089654	521521	748362	799997	226484		907235	196263	79114	1054553	196215	262489	144969	451631	455303		338488	500074	223507	204031	37917	169090	787502	1427391	386780	19676	426707	267621
5alpha-androstan-3alpha,17beta-diol monosulfate (2)		80670		44891	213017				70574			708873	629299	130430	775505	480486		1827262	1550169	779498	1611024	1415664	1092089									72312			241042	372399	106971	774931	715293		1340084	1758019	1006364		929965	1371403
5alpha-androstan-3beta,17alpha-diol disulfate	120544	2167327	183659	169688	351042	161140	25137		80280	124449	187390	50045	2351759	3066711	360357	221031	2007516	76343	533139	779818	593020	445384	475890	286467	3777217	231016	138626	831622	338328	93720		93196	149944	544314	142771	1898038	3768200	361397	62900	1039121	213244	406096	847850	170774	369510	351491
5alpha-androstan-3beta,17beta-diol disulfate	97821	10218849	834737	765411	1819137	400416	1002461	180724	1802961	2950401	217930	1236494	4944192	4006007	4284574	2086152	4422878	3359596	9651970	9279989	5469113	4433112	4662235	94011	10352482	1351771	627586	4255630	1063023	2130447	406035	1859131	3080764	402221	2379961	4307194	3605835	5384104	1086876	4290667	4518514	9590002	8085388	489722	6748688	5509822
5alpha-androstan-3beta,17beta-diol monosulfate (2)		331170	48952	64620	182479		127761		77486	124047		92822	333666	171705	113726		195045	393399	433584	367542	270802	289332	142847		381003	110938	35281	287241	47464	129662	40236	99952	194447		144912	274304	146449	161408	18173	117577	311225	572834	309985		285931	183476
5alpha-pregnan-3beta,20alpha-diol disulfate	279844	1836667	7257163	449775	782628	524667	589292	445136	549269	1144157	610241	230473	1156130	3596573	952385	1216209	1163513	492642	1655476	955055	1287365	995644	1377538	828828	1393514	11501702	286746	1995993	1652680	850439	487820	1010700	775737	1500738	800148	1390883	5026189	835519	1076567	845331	711928	1990910	1014732	474872	980480	1693568
5alpha-pregnan-3beta,20alpha-diol monosulfate (2)	37718	134625	2405371	172089	497151	174260	170697	55199	69495	113252	136946	59996	204289	344885	161714	112939	218433	231727	276733	135664	228788	197935	173714	137805	264960	2166267	85075	723036	230425	368617	118087	82613	165756	191630	127581	213149	487725	223558	203226	247115	158401	433896	266936	75731	154044	277977
5alpha-pregnan-3beta,20beta-diol monosulfate (1)		199369	1262015	69895	504060	195631	101226	45434	177133	89951	56755	82819	157018	94753	63205	95154	82954	125129	353450	101113	259119	183328	98930	35005	304209	1351383	68281	365346	142511	155231	115135	132507	150375	67987	87640	127725	165721	91652	245756	90775	131540	481518	93542	159423	73206	144200
5alpha-pregnan-diol disulfate		204987	619578		37735							12504	54816	120414	50008		50433	52005	137336		119090	29094	72595		258653	1077503		96052	53039	31966	39257		35035		38507	112091	177065	56762				262639			46322	97768
5-dodecenoate (12:1n7)	7302048	12949944	3342577	3176657	4215900	1707766	8688565	11220629	6501272	3820557	2702170	3271281		2321092	1595458	5644774	8853310	2326182	1859021	3862064	4492704	2066698	2205489	2679019	14142620	2593524	5094301	7045774	1930390	2424375	13496714	6355954	3959747	3757498	2461712	558236	2735813	741047	5126983	2727150	2814071	2060195	3223232	2508815	2128492	7511118
5-hydroxyhexanoate	122455			421657	160767	206975	70305	64243		31118	287766	62668		387649		127179	288044			304935			113184		77594		319346	200396	290258	299904	122447						420673		72148				225838	98513		114656
5-hydroxyindole sulfate	88051		58612		89338	40205				69558	190858	19578	156305	13962		56151		19941	130971	68956			178940			25659			20887			46361	70885	70356	30194	102558		35646	74095	22906		119347		78092		24005
5-methyluridine (ribothymidine)	1047517	1034410	1046370	952470	728024	594481	888327	749446	599233	928152	664660	627698	1008282	1031017	907840	998133	1026875	1043921	1009580	768115	1154483	958615	887111	1335754	1145438	1300473	937693	824908	1011768	1259111	613043	811600	729885	950970	863743	1064760	1068812	1259154	676202	866908	1029910	1002062	745430	807085	1007104	1135525
5-oxoproline	23395174	10292145	20035880	15060067	18756662	20345906	22314216	21441060	19638656	20906864	14252700	22887912	25256006	13556142	11545351	18078992	13395547	12346610	18472572	20552700	22073810	17514160	20187620	15740405	10172668	13374036	16761585	14777164	15760460	14841579	16990610	17639010	22414102	15063411	17834620	19585326	12516395	12577219	19543088	13215414	16477174	14029532	19554212	25027672	13628404	19628136
6-bromotryptophan	320226	411886	440188	380304	310669	349699	196645	330666	195196	495572	204358	334544	585380	383572	421856	449302	550510	446555	332467	434174	1178309	550762	777260	383774	538363	474274	175624	514672	489360	149857	319582	331938	347783	301485	471269	605558	227557	200793	390842	486128	386833	344812	385717	726199	509210	636937
6-hydroxyindole sulfate	959197	1190331	1816479	1406252	2049799	975789	1205406	935159	356873	505771	2609192	626181	2357437	618259	2289286	3026140	1131085	1675733	4080227	1697775	655682	562848	2714536	1217437	831307	1583372	1476091	1475098	1122569	2339528	879352	1261109	1195623	1841982	1503178	1871341	409321	2733213	2717458	1638666	1637122	2790663	1249855	669018	721198	1154160
6-oxopiperidine-2-carboxylate	440063	596603	271932	337397	377986	318703	336204	228470	373846	290504	206777	293989	342310	184799	290163	513550	210006	674797	778052	468043	436535	285638	248916	609244	541187	213526	423049	274096	500109	333918	238468	321262	296087	396508	254376	338890	229244	258012	516349	338660	838782	620906	357168	381422	415721	247586
7-alpha-hydroxy-3-oxo-4-cholestenoate (7-Hoca)	1711241	1691333	1568516	1405782	1797246	1677037	2961526	3178382	1527450	1437918	2996927	3757155	2189992	1841239	1859480	1873897	1883323	5866863	1941062	1944054	4747949	2482622	1729607	1474139	2077056	1749727	1279897	2892651	2134262	1938682	3452033	1776802	3164224	1672224	3079214	4116955	1570999	3040359	3071745	1438317	1627944	3064555	2008747	2322770	3043871	2081206
7-methylurate	383541	460339	2200557	1785758	1803683	181414	105847	1689044	113116	1955874	1938958	1809403	1592805	2265704	4355906	3833313	2133702	636777	293706	1308429	205653	83615	466348	4652096	508855	3921609	379544	4899925	1937711	1191514	2444268	122686	2089693	4265229	7603873	2363197	4519427	4377619	2525868	1144006	1246679	3117624	2300525	183416	115595	1672381
9,10-DiHOME	124580		54315					142213	92711	56778					101922	67750	100532	248104	233161		735673	148216	92692	112672		130476	61726	83314		74958			95524	132712	85188		101476		158979	101089	131283	338212	107389	616026	72424	
9-hydroxystearate	901776	2157515	1035511	910639	1544181	298185	623120	1993923	842851	1435000	736614	389930	411478		144329	1001465	1219249	1139874	1257794	912076	820628		752470	668226	2206796	949247	1010849	2186895	499630	1031167	1056764	893762	634800	774585	997688			515512	580728	1862524	559351	648126	914737	439129	95696	734645
acisoga	78258	52629	64910	211428	152662	122833	108845	110239	106030	100160	107638	55079	232768	91417	142909	97534	92067	85672	218659	89503	90922	100200	78255	88457	71760	47597	137660	236617	173878	67510	92071	119913	109039	112637	71167	144754	72653	125197	143212	64898	133610	262595	79315	54681	111609	46900
aconitate [cis or trans]	67479416	20617524	45382960	32533448	39751808	34092472	48100820	38369712	46882800	42455244	32624956	31678780	33769400	35605936	39211768	51070144	33083346	35955200	49040196	41246348	41740424	28318456	30004810	49515472	27855968	34223472	29500708	49797908	34231964	39510240	34355048	42701624	45818996	39652780	38496896	32581302	34485472	34813008	50578856	30386654	31912834	49020884	41249028	42587856	34822704	41985016
adrenate (22:4n6)	25499712	28800744	27684536	14206975	15203669		16662123	25988120	25364160	31137388	18168756	16171867	17275916			25101980	15581778		41062440	24029162	18805080	18198120		18556340	26992924		15479326	23464598		18038416	17094288	31142256	10670284	25937918	22224880	9130756	20021852	8045163	21152572	22935568	26034106	38664808	50475232	11193338	27707460	29054196
alpha-CEHC sulfate	249973				71495	181102		422415				626921				767109					1139026			92824					310627		760693	69894							200887	42144		97094		1484569		489317
alpha-hydroxyisocaproate	622563	478942	584806	469103	447543	348449	514233	478514	618494	620020	393762	884306	779457	349783	594746	561740	371794	435382	690735	564263	648134	526058	712433	763936	539873	475301	544039	295302	325780	460579	447815	728050	419277	496064	600700	815839	446659	587116	540074	311101	394878	450047	511214	448501	503922	480585
andro steroid monosulfate C19H28O6S (1)*	127117	163745	41853	95797	112616	54980	88417	465231	24484	71984	253731	95262	162985	172701	184619	549218	84381		116946	89121	520687	155700	228331	177927	235573	64049	74236	294432	85256	124060	272705	27842	115698	520383	230507	154565	124865	189572	393903	84285		110719	102273	422176	224696	228797
androstenediol (3alpha, 17alpha) monosulfate (2)	38734	170214	74335	162718	266816	82159	97436	264974	90012	114314	52275	245785	259689	139940	227505	152457	109988	275999	168394	161708	323416	348185	247294	24276	237537	105832	134196	744260	117297	178770	218200	186443	123543	144187	226369	252395	122191	230998	157547	63132	173677	207303	161254	189351	299950	249171
androstenediol (3alpha, 17alpha) monosulfate (3)	148689	1338752	743793	131916	1653211	528381	959774	173460	1336818	471614	484084	1844807	1350020	1444950	556270	394701	576746	2045593	2504982	804479	2316086	1484959	892231	56289	1411252	1347582	148731	1322717	664849	1002632	648367	1697362	918771	307470	1731175	1118913	1684434	790724	459038	462529	2203786	2699969	903862	1633110	1546497	866058
androstenediol (3beta,17beta) disulfate (1)	2062684	76417304	7924158	4360371	9710475	2790582	4568594	12108702	11707726	13755204	16333099	32914332	43413068	26014512	11069478	30757804	26265278	18111058	44490888	34946340	33954540	20728732	14302999	3329343	82405104	12061592	3187792	20199132	6989306	9975223	18515468	16623370	18055134	21247100	54258588	37884552	21651112	9204311	17216784	27069462	19821336	44879744	24897752	36684404	24604192	9823951
androstenediol (3beta,17beta) disulfate (2)	1591331	12331250	2826423	2655595	6397574	1787142	1769223	7076323	3341665	4255042	2942540	4791130	6167643	6059533	7913423	8921193	4829663	4296474	11921818	6419769	16908836	11690769	6680432	2027950	12867647	3608256	2256484	13938687	4072761	3755727	7537529	5753006	3739774	8029853	12739546	8559123	6258596	5480838	4437714	3079718	4861841	10819061	6445589	7879120	10529724	8179304
androstenediol (3beta,17beta) monosulfate (1)	129394	3990595	640519	885455	1776115	267395	505765	1384413	1214107	847104	921017	5838547	2769543	1551162	982207	1609702	1713111	2687810	2531088	2299653	2807586	1398617	1628620	117444	4082215	881407	556026	2788999	480870	912415	3137310	1579285	650108	1103204	6621394	4717479	1130438	1055474	1376219	1050521	1686126	3476841	1704561	1544022	1668267	1389493
androstenediol (3beta,17beta) monosulfate (2)	57410	1729584	158164	248093	390885	110171	200380	210793	361914	298795	295782	463798	534751	135104	414820	298973	800079	190384	411273	542367	541847	456916	246551	48577	2181524	283002	204726	515745	176015	301250	600068	535334	392638	433949	671331	737677	108997	297256	236817	639788	185823	385965	368762	164374	415917	231045
androsterone glucuronide	92571	305858	252234	686169	423967	169847	242553	283135	290851	286622	219284	586544	583743	498591	766761	729914	777180	518876	1273336	563142	1106123	647103	861914	59270		318325	472187	1136180	235679	326075	385918	554929	347686	314930	926526	455945	428312	894132	652520	481720	553533	1327239	503796	267271	535453	1073510
androsterone sulfate	353090	22999024	4872251	4201143	23920872	9093241	15774932	669328	16826892	8966520	1872380	11553809	7496376	12601449	7289139	1682345	8424573	19617840	18291436	12186883	17424956	18219680	6930075	219132	28174980	8356149	4010130	24300314	7156559	12169478	3406742	14462624	13488548	1437478	9981794	7945628	9199958	9178874	2728519	5571303	19589060	18744096	12953977	7114620	23642832	8729290
arachidate (20:0)	7116252	7570959	9156525	9617062	6266186	6974549	9652713	8686581	8129100	6811450	9994565	8089526	6736850	10930613	8480974	9544208	11336517	11361359	7987176	8178574	9444844	12640585	6862255	10588163	7083339	7931031	7083657	9560627	7890913	13831630	5582829	11870998	6957781	9480862	15719700	7587096	20800020	5600713	9930740	12091738	16084324	7349288	17922976	7069153	11236157	8339682
arachidonate (20:4n6)	123726280	137894048	85744064	158520064	76288088	52668536	104122080	137125344	120757216	88671472	118786992	112039688	60357792	58956032	55401828	96455032	150534048	77772272	68966648	100274320	98345800	148719904	55222296	75374752	159945856	52796552	172852416	112058128	38178048	161805808	145272192	165435072	113914128	106723768	161475744	56447496	104418000	57029132	112377760	178015440	128934280	90097112	192752352	74153168	167190256	133348240
behenate (22:0)*	3420693	3238283	4112629	4106521	4253917	4583190	5172328	4341331	4649505	4163581	6559414	5561132	3813294	5946366	6340298	3497561	7313321	6682173	3388550	3350228	5712806	8830695	2413201	4511613	3046995	4686205	2554063	3613018	3490531	5391766	2427801	7436334	4145957	4412401	6373388	4403081	4583519	2587893	5108749	2993899	7885548	3512984	7083815	4343158	5358463	2807699
benzoate	565266	580868	620035	1604799	580249	424298	473566	504213	487779	500321	1519385	551219	610404	559212	388645	1118419	649924	513775	659963	766810	498955	388633	607337	724606	477883	601714	728362	523812	458262	491966	630760	604687	461933	1829482	563092	511140	528790	607653	635293	1021637	458201	609190	857327	622058	451932	635582
beta-citrylglutamate	813378	191386	645677	601937	761817	292400	202890	347252	1330437	727357	235978	565377	1347907	763396	410726	397572	401013	863387	595282	638438	333675	276579	213830	339578	832229	321473	333857	742597	231984	174364	387432	362490	584583	277547	574131	479724	284376	208648	469443	363265	354237	511698	685164	307289	594145	319321
beta-hydroxyisovalerate	1228472	1090699	1468265	1254787	1501579	1012686	1045368	748820	1168336	1018019	1100766	1144361	1210583	517022	1371740	1202477	1666490	789351	2669614	2325113	1266990	731620	1279259	1666452	890915	1135535	1176315	1289993	797810	1243245	736277	1329283	700260	1082697	1281934	698620	1053668	839645	1312732	1510345	1275903	2151714	1638324	825899	676614	1120738
biliverdin	1106870	1005957	1327967	1397227	1958586	738708	1318337	864218	675412	1077680	756457	1513241	2014549	1805863	809539	2147736	1228466	1247041	1069332	1855146	2121370	3378281	1828209	1198455	1575889	890421	1177157	2323231	1373405	1098858	1210147	1454549	925244	955528	2026277	1825641	1827669	1695320	2086361	641812	1647616	1164942	1773784	1300930	3331534	1883816
caprate (10:0)	10297487	15123678	10013527	6222458	12279814	5317553	18549996	14458064	16911850	6434835	11350103	7381754	3980781	8772376	5378247	8540655	17370306	6377220	5836835	6572741	9505748	4641960	7682127	4542072	19673196	10224968	8145585	13643694	4559624	5329394	11257058	10715090	7636421	11115098	7651282	2945474	8303014	7128245	8010810	11895664	4652623	6206845	4688886	6016845	4369448	9098097
caproate (6:0)	908915	966101	734414	754220	766471	699784	940631	698694	1340589	635233	686503	746083	551167	728871	602720	802896	1303919	590682	719957	611954	738336	487914	649152	568992	688400	593945	731536	767626	862384	694491	844807	785385	639478	861661	1019348	707818	675116	515612	822137	1087460	822036	667550	604341	710008	673848	715983
caprylate (8:0)	2650746	3274714	2059820	1807555	1792174	1240971	2648795	2452196	2156163	1859648	2295324	1843622	1206864	3533644	1420763	2475054	3978569	1683132	1798915	1761261	2281933	1107452	1759580	1786122	3113757	1706157	2315554	2328136	1300948	1683713	2344104	2544067	1502212	3482461	2479988	1036246	2613018	1362678	2507395	4229061	1566855	1630552	2077756	1975834	1556539	1836890
catechol sulfate	42147188	4181439	12586216	10418241	11201305	19662660	5107344	10007824	4356048	13704421	41373848	12121923	28657878	10651519	8816058	14797914	23284140	6985811	6859861	7345114	18449996	13712956	6164831	24744478	5748792	12766994	10051716	35845512	12057234	4470757	7561677	8839624	12858768	15473733	16706948	11749952	7099713	10504916	21344042	18354144	13310404	14801434	21486872	23832042	11522757	3082494
C-glycosyltryptophan	475164	315573	307279	321587	316579	242640	245055	352394	327627	275397	258195	237472	309381	359673	492284	378396	344762	364179	579791	312164	412617	229504	278589	556358	447782	419383	236694	647582	466367	303206	372666	269713	261452	376844	303777	323617	281135	471360	286851	282572	253692	612971	334634	279500	405464	405861
chenodeoxycholate	14040742	3372004	3204139	3005913	3465564	3327509	3415722	6833874	4510292	3194225	3323872	2962858	3813265	7821898	4426811	4028662	927017	668288	2443485		5838619	3516790	2611264	15834496	1803870	2837359		3474069	3261668	1511336	4315539	4152347	6866910	1856743	2841674	4818237	6455395	6100341	5031120	3218697		2544305	3179134	6197971	4469970	2311597
cholate	21855720	269181	1174224	320146	470717	321269	150934	796461	303261	262658	170160	109009	320312	129749	92417	788155	55932		123604	189934	1769849	798270		3176147	286973	262869	163888	236448	5108915	95234	156867	359037	425557	92051	82162	238673	80502	1420273	4740443	73652		148802	690304	4675192		
cholic acid glucuronide	1500504		126800					53056					45892	38509		19935				46846	250064	60672		482067											24762			50310	244610			160699	89089	171760		
cinnamoylglycine	1823786	1036216	2824909	2942808	879517	3982033	750750	91624	306459	1615088	2089211	1738066	2654435	1812074	41760	825202	1502209			449307	150056	204300	27963	1253745	1430116	2247828	1846922	812163	2570841	612652	104102	2946798	3633986	983174	2091051	2470545	1187675	69693	2026892	379069		683533	523368	678623	117262	
citalopram propionate*																				254311																										
citrate	647015232	341331744	476794560	430816128	434023680	470307008	631523072	401435648	532721472	459651712	397120672	392518976	399792128	444029440	491196416	510174496	422914656	446137760	415846688	427270208	530273632	411468512	408719808	464696640	342849792	426732256	524412288	467022848	497196896	495644160	378536032	574260736	474581120	436631424	418418176	427630080	425237664	437848608	573309696	382614688	467658944	404136288	431886080	575025664	450021504	428347200
corticosterone	22058		44703	61232		89966	105941	43754	61709		37606	64561	56866	54307	21604			60927			42584			34501	16443	35257	55142	37122	82775	149830		123330	39343	111921		72346	33635		41453		81107				28044	
cortisol	1461398	630528	1028933	1270677	338298	1645850	1658837	1119888	1762945	781869	1001310	1290941	1206113	1043016	1053583	506599	971863	1360049	1088480	990267	1211965	1000029	965646	1043031	851688	1256814	1179411	944653	1237455	1506075	763068	1762288	1372121	1398904	428212	1300684	942669	1073025	1348430	459688	1526258	1049976	974974	1354129	634606	879028
cortisone	161608	231606	423362	394695	82922	256148	276266	288949	242437	295821	203879	370928	585125	559028	451091	225540	403936	501921	269941	392337	585488	443371	615721	214369	350353	551674	339214	410645	521044	411640	379737	501060	499333	376807	393326	570181	469462	400106	253361	188860	442806	290481	447602	395226	426452	359339
dehydroisoandrosterone sulfate (DHEA-S)	6014633	40016016	11509475	15148365	20287464	12583689	18950954	16468283	22150336	14960672	18424188	47601844	33966160	25735828	14649804	15779230	23719088	24984300	23057240	22598572	36554796	23064036	19144954	3035530	47636056	14724713	10684636	32523720	15356798	18170282	28194592	22354958	22615264	21122926	64561320	37645068	19830512	19148812	20118160	16935208	19002280	25582564	21565740	25141586	20683894	12863960
delta-CEHC*	45273	35527	73726	28595	92967	126189	77729	148194		39888	28122	97924	41988	154362		80860	74840	60800	38034	23274	209358	34096	166473	27403	43594	204330	71245	188044	336053	161499	85384	111892	45197	52301	99058	54028	55963	125629	125676	38842	49592	28037	35787	175719	72953	86717
deoxycholate	19805230		4031754	3954022	4343528	3296477	2696098	2608939	2211160	4575070	3096882	712133			3678188	8506510	8383552	1633071	2616370	1244374		5553634	1935050			1571698	1673744	2143918	6476748	4411401	2850096	4227192	13676657	5378666				12232691	12500470	5616271	939226		741575	3406862	1802894	1847345
desmethylnaproxen							704810							76883													384859			2820395							450953									
desmethylnaproxen sulfate							21991672							6487353													13990543			72208768							28592406	262928								
dihomo-linoleate (20:2n6)	31208328	33641160	14717296	20987576	16922646	8278292	29530672	53028900	47644108	17384132	20744232	22060224	12831988	15398011	19949912	31014246	28602754	19645624	16634416	23559850	17041548	29579364	11274625	25489278	34852152	12903077	18962092	31252716	12349639	34141944	39915108	51739368	20766888	18359798	43654960	15706523	23056196	10670074	39744348	22379032	27926636	25537224	50955624	15436901	47865576	19327680
dihomo-linolenate (20:3n3 or n6)	36741648	49653612	21297744	35366996	28287032	14413831	35732788	61447160	49816584	25346976	32597340	36951308	23046172	16308834	16911404	39682312	44837960	27020658	22753060	42060520	25957672	42025992	17633020	37263452	52206744	14394326	31466830	43582260	12617184	49313236	62559728	64866104	27021728	30635636	53542908	23833024	31595968	17149072	42225224	48142820	37053896	29031278	74647640	18808536	44975432	32932264
docosadienoate (22:2n6)	743443	864007	551629	759274	594142	273248	923713	1181249	1366982	570220	573512	797887	640433	674899	819454	1007925	1038087	1080071	694454	851688	1178301	1443495	507303	1063145	984918	534054	555373	1168915	467913	1174047	915060	1591218	740075	490737	1521120	616758	975287	420114	1064049	957470	1141537	920626	1790142	719788	1791858	743797
docosadioate (C22-DC)	80009	210540	72209	126663	197085	187058	138400	311836		60367		90484		272047	215046	64108	275426	529926	226798	93681	429416	140486		47513	78520	527992	55096	176882	283321	154295	182935	135967	89414	169289	99030	79342	70167	255159	241660	169281	173661	152441	69527	695307	350409	147229
docosahexaenoate (DHA; 22:6n3)	95455976	57143408	49063064	47976616	21401772	17894204	82319624	180638656	57287568	67298512	39811256	92097560	28024428	19087452	14588402	43287336	52939268	24905624	22062080	26535188	58880324	40207880	26207806	75199992	53894760	28389974	53983108	37129288	17654114	96220208	168761216	141947616	61268756	31219856	145801376	41373300	36985540	16465698	41280308	44924752	39022648	28104896	57311256	35104200	40728416	63273640
docosapentaenoate (n3 DPA; 22:5n3)	37154324	18159958	11974688	14762166	10207506	4155242	15245820	82972352	23590508	19748104	8758530	20938866	6344777	6385008	3922020	14296659	18416572	6372357	6477756	18356176	9560206	13207078	7739408	14986907	18837664	5944052	15915070	16275806	4452108	14829086	68997152	31587346	15732291	8294045	32369266	7087970	7706774	3605179	16114563	15768302	8069250	5691541	35772852	5812757	19527588	13543578
docosapentaenoate (n6 DPA; 22:5n6)		14847783	9807079	18573540	6438626	3365764	11040371		13861586		12699042	12497244	5104133	4643202	5745624	11249205	12985672	11385512	10276549	10010139	12522790	9613045	6946328	9043251	16925764	6407398	14847328	12726704	3081471	22367008		18001304	5397199	12534897	20481292	6397794	10311170	5748592	9254839	12935301	21514504	15342945	12975583	10168894	9690960	15003567
docosatrienoate (22:3n3)	739944	461471	348326		640374		633854	652074	1061378			589014	495991			953252		451456				1378713		518779				965026			703073	1230925			976092	283420	670923	138949	758083		1235083	792930		485807	1290227	338387
docosatrienoate (22:3n6)*	1011090	632188			223635		180074	259193	584563			348566	288444			579444				2388475		824319		394792	1423741			439650			364335	367057		564856	592013		182877	67833	757195	1825824	730865	490029	5095281	135158	324929	
dodecadienoate (12:2)*	2527219	3123720	2454515	2522812	1992935	1851021	4884064	4793975	2832255	2525568	2825649	2837910	1474560	1886313	2194293	3233317	3169631	1918837	991264	1921330	2614731	5465460	1963582	1043852	3544564	1560257	2674657	3233522	2069594	1884576	4534347	5129365	3226227	2580725	3495488	1646005	2075959	2093163	3133066	1037708	2537921	1417088	1780651	2851094	6143121	3830571
dodecanedioate (C12-DC)	344645	482091	493364	361798	298367	235035	996294	463560	278306	387034	157657	217082	293899	570644	343496	1385715	613893	853547	1062011	445476	1623208	400943	396586	478888	464163	398403	282359	543085	690148	234030	335542	213591	252954	362591	599690	488460	541912	311417	746615	491216	142922	807420	266498	869797	407414	694095
dopamine 3-O-sulfate	266625	186517	358294	580261	322635	311361	219556	428011	288523	724293	632714	221579	368033	1313605	286695	310240	571184	193436	558131	214554	572642	316752	332986	352993	263405	374652	947010	410391	769832	460473	459462	357575	700795	671772	303053	317858	404094	323956	296773	443779	226482	495630	191243	535899	436866	304811
EDTA	2022018688	2358860544	1982393088	2231519232	1804447232	1808273664	2111728384	1737270912	2301045760	1617560448	1694120960	2032510976	2033309696	1956963072	1769138176	1908004224	2008447488	1909953792	1984304512	2027616128	2202525440	1997675648	2428449280	1625833984	1928007680	1777556480	1924972032	1869030528	2229405952	1935607424	1639230208	1958270976	1620721920	1623752576	1862854016	2026350720	1862649856	1767007744	2162400768	1630132224	1842423296	1884473728	1979940608	2023485824	1833926016	1767998080
eicosanodioate (C20-DC)	442544	551960	331932	564571	883609	756195	151955	1083009	362656	270825	235154	229262	406688	919901	551170	681016	309298	2287661	1182294	368191	3392156	603149	281333	256160	252523	1214974	286372	807001	499518	374569	596410	405502	375424	433943	328996	461418	552014	1158207	1203070	487356	812214	1283985	365526	2406823	1403214	605620
eicosapentaenoate (EPA; 20:5n3)	15109076	10309293	8352166	12891948	5998773	3038608	7321905	54533036	5692731	14016266	5901179	16165086	4637103	3071020	1790460	7704176	10389104	4531622	3999813	10512424	7598241	6429751	4277948	12992354	9967872	3893433	13930371	7851693	2689400	9558178	47534284	16306145	12323219	4827096	31708064	5722937	4897516	2589207	5719500	10651504	4782917	3528170	14193847	4013278	6419364	11595950
eicosenoate (20:1)	55231956	40628312	21246052	24576944	22338604	15392466	30663178	61265156	59661080	25286040	27516656	22737460	24322244	30968220	33229292	45086768	39398336	30796906	23218660	42036524	40136348	38854384	14845669	66056292	45094528	19150456	22037956	48226620	28192608	36256504	39138908	69758408	33494376	28669966	48607988	21672492	52160572	14390639	71025008	30220248	46415624	33822872	91012976	22546208	50623460	24974766
epiandrosterone sulfate	240228	9013257	2624242	2966415	9085828	3574621	8741027	315581	4715256	4711978	714165	5267421	6270090	6379067	4805359	1150760	6372871	8181862	8850766	7833549	7903278	6491413	4447971	125105	9630913	3803404	2655025	8271300	3571550	6173863	1247018	4095703	5587255	1096823	4187440	6075945	5273034	4833385	2265222	5307872	8589077	11163662	8877602	2800988	7765348	4282320
erucate (22:1n9)	2222190	2398162	1917573	2175520	1513474	1529177	2794681	2400064	2886241	2004254	1813972	1784712	1981789	2277090	1665040	2542477	3814969	2528180	1612137	2284079	3484499	3477778	988235	19515152	2411779	2106318	1581133	2991092	1955255	3571074	2870029	8310738	2307568	1707694	2933314	2202726	4586039	735887	2734727	2508967	3306818	2162502	5289040	2789873	2767412	1714390
etiocholanolone glucuronide	73964	391577	257899	658036	201246	171662	140407	207319	229720	130354	390494	329115	357656	594330	274130	303811	873673	197240	441481	386547	388721	109752	260639		546551	432717	641101	395872	232820	312415	428878	373892	169531	612398	535684	555543	714910	253587	229472	443284	231513	948266	408835	1482082	244237	268722
eugenol sulfate	4585305	20978	54901	264955		43637		979080	41129		149172		36355	23187		283255	440737	26815	632318	128953	1783457		668477	5198752	170404	182493	47172	196991	75645	63614	188779	126651	86195	219805	144616			499248	236099	36182	130683	194564	188160	294409		90483
flavin adenine dinucleotide (FAD)	43451	39796	47033	62271	36109	17844	41824	12486	46166	41389	27304	44980	47820	35360	32243	23703	51630	62823		47138	31857	24163	36584		53886	21388	46856	51494	17621	42324		31789	38740		42227	20173		29958		24940	33248	30735	47192	16522	35318	25732
gamma-CEHC	320541	303681	340964	194616	594137	1207975	389364	618937	115315	421090	157917	503877	276552	512067	132828	677266	311479	278885	212813	179618	1805302	431572	468342	484694	289281	610422	267268	704045	1717635	721568	224327	690299	434139	198983	414508	380606	366311	536917	595227	275275	276952	150601	353287	758159	181299	456981
gamma-CEHC glucuronide*	38587	25489	32556		54619	108304	25686	77752		37300		67246		38326		81080			27610		183520			55391	19579	86235		54378	135521	47022	50651	32774			40137	32395		76511	74782		21851	29120		112829		58998
glucuronide of C10H18O2 (7)*	74022				50061			118668		81961		29169		68404	35763	45215	45035		129239	72745	516697			119071					33640	51790	66828	46595	960704		115658		52079	38812	65853			452275	52412	960812		
glucuronide of piperine metabolite C17H21NO3 (3)*	72937	107578	100630	167725	71870		115171	96970			408212	43534	436143	70567	1664690	137901	617116	303194	341386	266721	306994	73872	378662	44103	100775	34947	30132	116597		207882	66911		73583	358575	287640	66212	72634	593079	166230	42093	404313	897625	187454	197449	151367	271115
glucuronide of piperine metabolite C17H21NO3 (4)*	233552	359594	446904	717492	272919		395158	388836	73939	65282	2444034	200088	1427875	140669	5624695	553700	2004559	1093834	1239326	1074526	1541609	365997	1909683	248591	507255	178026	162178	566264		761562	197886	97927	245429	1369432	1138381	314582	320213	3338191	474287	239771	1489111	3260702	781630	679588	654918	580976
glucuronide of piperine metabolite C17H21NO3 (5)*	86780	108019	127552	197544	77444		119013	112293			516464	40734	571346	70938	1142449	138301	795090	264612	375539	259227	266884	97461	419245	36825	102754	28696	39984	144331		203836	83191		88928	438850	256310	55624	56412	724032	109552	54673	442573	786638	163222	193726	113675	190723
glycerol	13144934	9374197	5457153	5203474	5836719	1866759	3696417	23578804	10566325	4917181	2758538	3219212	3274867	3631541	3702311	7548889	5873638	3541042	6008044	7115496	4965916	3803251	3308227	11585956	6452723	6505369	5699258	8856959	3487948	6126312	12249319	7361976	5422092	11640742	8299758	4072341	3034239	4570119	4053047	6851409	4219311	4490613	8397239	3424757	6318522	4549678
glycine conjugate of C10H12O2*		40836	60820	27260	45027	142714		55467			70146	39912	19702		83863	82396	120955	51012	41934		151896	16081	73418	24541	75412	70438		170462	71906	29531	56225	69254	41088	192443	82788	49877	36513	97085	51968		79126	77660		110781	24311	92466
glycine conjugate of C10H14O2 (1)*	92288	209377	372137	177467	271183	1174315	536951	593174	96953	118928	358702	716080	247032	615732	623605	394915	916290	409109	180770	246910	949765	210901	629700	114868	453230	438605	116842	1114483	695370	172156	656443	510268	412737	356143	499201	354302	211480	557373	326734	89483	420058	272366	137291	1194499	246462	779558
glyco-beta-muricholate**	743072			362110	55496	649003	44508	102176	91453	66639	671391			87380	53696	550218	91197	43779		21604	100320	113824	123296	694720	48922	50309	225912		354067	118908	112068	212485	212175	179238				231141	1329201	170402			82891	227403		79221
glycochenodeoxycholate	8072313	3226753	1092727	2663971	2973941	3044402	3552288	3049566	2900012	9209157	8215039	2300489	7216360	446598	826460	28691504	1182299	1403503	1714159	1653607	2382364	6602531	3938510	3306029	1659848	1203817	2605038	1631331	3362025	8347763	2277093	1006421	14211666	2748193	398897	7985970	413654	464354	48281500	6051723	930912	3249244	7137999	1829408	3560226	963822
glycochenodeoxycholate glucuronide (1)	736973	251203	287423	581719	915529	796498	259009	474728	418892	687325	340850	209049	399904	607766	343653	916205	771147	632538	1955130	263384	4227215	644636		493209	276331	297760	236912	663321	900435	341860	478394	381766	1663391	258992	68384	377679	408475	693293	1550276	1091276	123420	4352142	411914	2800837	162135	809236
glycochenodeoxycholate sulfate	439976	3790836	196879	302308	685270	722846	428913	719545	603924	268802	997973	637061	1121875	2334420	144057	579080	212258		532949	320822	1042752	717140	214839	1437066	4359240	497216	181661	418284	1234772	994194	1055188	1175389	1343449	361259	446995	469299	658579	524063	1988816	614536		1035760	429673	1385003	391960	1119565
glycocholate	1155571	637142	87126	603952	1152705	540054	636823	853079	894016	7866439	2394691	608296	2349282	180924	286878	24653934	705664	224038	302392	624092	860086	7412587	1865866	821115	568390	271208	275178	728690	852984	1944697	729775	783545	11691370	702155	137193	2243471	70673	191088	46357792	1883158	150995	1252109	1635664	637889	728721	307187
glycocholenate sulfate*	6674546	6990826	6704251	3543108	4439131	5924993	1454426	4927075	5800035	5127683	1504036	1457556	5151158	5342704	6540521	6005009	5193725	4420773	2937254	4204904	9179929	8935019	7521189	7190851	7932988	5907318	2927882	7368274	5972549	2801418	5051330	6864483	7958126	3352768	2581532	4863527	4142882	10027779	8764852	4515037	4361632	3182466	5065941	8215933	7041763	8882045
glycodeoxycholate	2676937	1077337	1054525	6995348	3008624	5408078	1842285	952146	2913213	12123163	9445389	653564	1816669	273135	1186006	57620700	4643233	1071330	519722	1440671	815375	7428290	3898164	1996733	808641	1073322	3868819	1144624	5812304	8628761	1549477	1129815	17739500	3720981	217273	2002687	193197	1685283	63311944	13106994	601250	1840794	4137829	1039154	2023906	1091235
glycodeoxycholate sulfate	199697	1641666	434637	2202595	1539770	8188308	1737576	399526	2634375	1990926	719711	349690	397022	2652342	785975	1712213	1989317		826919	344996	1609275	1129264	1602093	2016124	2422582	897080	1344726	792409	7464693	1670389	1488499	2924705	3144901	845496	324978	438213	1013244	1759662	9144973	3338290	118162	1477040	451006	5304115	464693	1451658
glycohyocholate	34208	148989		164380		124745	75371		93905	40381	176910	45503	47914	76559	16484			69121			46458	106231	46853	57737	138586		88662		58344	209478	47023	134038	151059	60536		50297			91324	62644			29319		58559	
glycolithocholate sulfate*	2929263	6882699	2922995	13112123	2608629	16643918	6186327	530689	5044643	6258594	10591643	5460377	5701488	11886901	2623366	6997812	12534236	3902974	2514092	1797522	1102600	7494771	7192201	13321025	13336062	2243632	6651510	2956002	13179470	4166807	2826300	7114357	18862064	3859452	2188103	7800826	10652577	11610509	16093939	8583611	1292723	2704669	1955036	6024151	4189358	6728940
glycoursodeoxycholate	481321	200789	228619	276037	385624	476961	635254	1831661	449477	473732	782159	358258	228807	66436	275899	2945153	333488	894566	64295	248093	1204026	699284	845286	364139	83523	114883	290379	94633	486396	2526469	2727896	264261	1301859	205675	71208	357324	31125	221849	4734831	478315	112866	379360	704448	865486	314467	138844
guaiacol sulfate	3411427	969721	2553692	1883933	2926480	4961596	1055433	2909612	452570	2222059	5212953	1524452	7062731	2488428	2072632	1116297	5667110	1675709	2613781	1323418	3758519	1949280	1979055	3479608	1408506	3612155	1939499	10236426	3673271	1708760	2749281	1553118	2801016	2637307	5263172	3629067	1970804	2535476	1474530	4644508	2737780	8180173	4492775	2196519	1800518	1454151
hexadecadienoate (16:2n6)	9790190	13329510	7922359	7363731	4072295	1812683	7693505	30135042	11845079	6535423	6105052	3892008	4089843	4772674	2342671	12959236	9174262	5182138	6194090	4131896	11580936	5024811	2006871	8102144	11949420	5753649	9526977	5838081	4085197	5948144	22112128	12874381	7265127	7297426	5979046	2317600	2372113	1558172	4755528	9883039	3160508	6664010	5482943	3738690	13455770	10066090
hexadecanedioate (C16-DC)	467819	711625	491081	476931	259008	330396	254780	747010	340311	416169	110348	209493	487461	965905	185250	768016	856873	2782797	6881841	799377	16021380	923424	470598	634317	999342	987767	295218	830473	929545	275734	895698	459547	658755	353271	533987	589992	596414	236023	398737	552269	303001	6666757	618107	5536319	843630	486073
hexadecenedioate (C16:1-DC)*	192070	353817	235442	316126	292303	321581	85082	409044	94872	195626	94879	64474	296908	650495	177340	443798	387836	2224076	4008427	375694	8915132	507915	311924	310326	492460	452081	174453	790640	608284	200939	603222	325586	313300	225108	166336	360123	318274	258044	297178	360346	427015	3332458	223218	2529286	479613	469840
hexanoylglutamine	207846	145550	196705	97734	124084	110069	108218	291608	200622	152383	49839	38344	92237	284821	222647	558147	261693	57726	77892	242981	83816	192504	237161	1253233	188653	83898	104539	327327	267731	51996	230712	223499	330906	252238	146244	85469	240875	49179	175273	102923	95454	196921	137055	113527	197232	301710
hexanoylglycine	125913	195969	69296	84610		57471	38345	80687	72291	50346		49398	44143		132706	74914	57876			54532	67766	83203	43988	402799	280589	57085	65425	43111		33538	51059	80374	57698	127919	108034		45484	52994	42755	27161		15093		34923	102412	48403
hippurate	128891528	9096929	37988484	37436828	118391904	23033468	10099729	23210044	8928372	37581196	64528920	29691360	87172224	22206940	7726224	83113912	42817628	5053032	20739128	30278178	9335198	13686978	15474912	74644376	12372316	54132532	25007584	161752384	37138456	19682360	10739094	37011240	41738644	25889090	46396640	51977120	20513742	27708928	44488620	37029560	9377195	55535836	54485068	27828938	4618890	14157450
homovanillate (HVA)	75596	53855	53482	103716	75611	57456	63695	47746	59687	100424	71366	49761	66755		65057	91553	74822	33839	61735	57454	123979	53626	95259			55061	77769	113281	60987	75023		152571	99441	118606	180458				46377	90761	47888	80106	53790	85349	69957	137567
hydrochlorothiazide								793440																							701406								720433							
hydroquinone sulfate	498808	24224	149553	341635	210976	104260	27376	82564	36089	200399	620994	55198	52566	86290	131896	51668	33007	130401	263398	28325	336934	322875	241626	133702	15382	169863	71681	104568	227606	39709	55088	34376	119083	188397	70940	52520	34683	545803	172614	51208	90854	75185	185325	236833	131145	241564
hydroxybupropion																	15130797																							14288370						
hydroxy-CMPF*	66953944	11660473	23585304	48919628	6096006	28539856	20689376	113718240	5416710	73611120	4810511	88814152	18631082	18409508	9298281	8043297	25366428		3218600	4095527	598602	2377977	15706620	58030488	11748381	19398004	36352232	7024571	34119076	18311836	118575104	9579710	55688536	5400351	108908072	23560808	9387243	9509382	9952805	18646748		1273493	5384928	352999	1469424	20390394
hyocholate	290369	62746	89538			70983	63872	175117	97098	32748		31723	90252	168105	139855	48648		192071	76891	42186	180548	179130	95292	188237	53903	88660	44652	133279	433413	53483	98375	98154	78516	32936	28922	109378		238458	103537	46089			60865	388618		104575
hypoxanthine	1942508	2662999	2770977	1396995	2434324	1105723	1601284	2189251	2314800	1557367	1278337	2182491	2505394	1947510	1490950	2932930	3589427	2690081	2880012	2477181	2758656	822467	2264464	1723895	2348449	1813902	1264748	3618401	2454867	1635407	2557530	2208450	1847832	882559	2963767	3120694	2663193	1740415	2398248	1408301	1792547	2405093	2891933	1265873	2524179	1644772
ibuprofen		59031	139042	738798	605590		67170	2968962	290817	64935	69513392		2249467	97631		50319488		1232293	743572	446666						77131	1028220	506795		36662	4412655	2940105	65944	849600		563472	118097		722516		93540		42436		16205	
ibuprofen acyl glucuronide								99066			4008308					2141603			26419												220709	75120														
indole-3-carboxylate	49572			41233	42846	53908	51355		14558	36339	31365		34656	41464	24443	49740	60069	32521		44218			66610	55291	39643	35682	93329	52622		55389		38836	18142			23916	30974	51540	24249				46701	22676		69471
indoleacetate	2105287	1093671	2252886	4532194	2324585	4366133	1934860	2362562	1990825	986726	3070964	1995030	2131565	2867191	2641856	2327730	1887504	1182838	2688161	1628396	5477546	3366812	3195013	2401370	923067	1873048	1212944	2149070	3241080	2178950	2493240	3171626	1036470	3442696	1915344	1208107	1666328	1982518	1915769	1705537	2367402	3486163	2180055	4838243	2089842	3348981
indolelactate	9300841	6820847	8638304	5397262	8149098	4223897	4317762	4163993	4689987	9513362	8887425	8362276	12694773	5925501	7840149	7497954	8279621	9841160	15186045	5814718	20300972	5877729	5963304	9422442	8820566	6913855	4107700	7654626	5163615	3054794	6255341	9597811	6107442	8743988	7904816	9973507	4337856	12228737	8629810	9266962	10950281	13805967	6347472	11115953	4887264	6728393
indolepropionate	1830125	738619	2305192	4489857	840072	2164461	688007	611641	1728219	17840190	3377538	3834903	5004811	2063444	1958370	4141262	1786260	4856614	809116	1375851	2349058	8044793	1194122	2357273	3261704	1518195	1682875	963006	8544654	1069402	446498	962271	11116301	1681179	1629222	4105555	709014	1878143	4057216	1600091	1496504	1582011	957238	5175208	5021036	746746
inosine	69559	49133	75157	67085	80270	58692	13407	77913	94838	96443	30975	100925	144688	95299	67402	53804	102737	115568	65295	65382	65521	40046	53537	26687	62216	63104	22049	182875	90833	52831	65101	71947	130306	27934	124003	76512	62027	56753	76559	48269	49125	90776	75542	47843	136067	84001
isobutyrylglycine	102750	178812	192398	251007		54475		47302		113468	58478	106676	147707	79334	117016		123022	55794		84577	144474	50944	79784	187361	84177	86147	200908	56603		124270		100841	57420	254800	95191	137655	112520	211827		195031	97291	123770	112693			
isoleucylglycine	197458		180380	57247	186580			144997		76408	110978	137201	145358	174002	184380	39951	127099	124869		60104		76951		125663		141665		110865	99396		57798		108331	124138	70057	130946	129429	144591	75725	56239	134626	56437		82282	115962	
isoursodeoxycholate	194629	142613	794193	304013	586954	263084	1958628	16552928	233300	988803	204363	220447	258635	382298	1318380	1290786	486158	8583435	189941	171286	950864	1556307	711520	134046	137888	262778	136035	211639	705225	1962878	8350551	863119	4128531	503916	586912	259437	257228	2740773	3224545	579911	297900	460107	196612	664227	954456	365186
isovalerate (i5:0)	821106	249718	449929	730010	506879	295518	490772	531824	521622	525291	649011	849821	536013	936223	365442	1119670		701171	1040391	1150341	362553		1391140	878736	582670		417226	400659	303145	525000	470941	1194464	373333	494339	859738		1753663		1574144	480264	1301255	1040630	800160	312008		643750
isovalerylglycine		149613	263298	378314	77099	131913	100908	216744		218143	100410	155331	176566	183430	315482	159449	233152	142088	202701	45796	155777	54982	112358	191910	204058	248095	282760	157201		266119			83414	247999	113658	268510	217280	492401	13586	251959	80502	183304			141581	
kynurenate	859909	646553	728712	638085	516738	318115	470738	822838	633061	535527	587364	488167	1034423	710572	920399	876984	661969	579687	1412844	630694	2311917	371367	586651	853589	890883	841678	565054	657608	512429	548906	941636	929722	481391	628734	546907	1277618	738510	1069503	678582	655022	551380	2227954	691139	972698	537177	930492
laurate (12:0)	57333344	87752184	57995668	35450276	51038936	14324586	131713104	97105080	69884152	50757616	32804038	33610568	21516272	30961304	29459796	118946672	72701472	30360618	23011692	31161720	35609428	26134956	61267476	35590328	71053824	45938732	34095624	76105928	18326044	33841088	68638648	43754344	54298576	45696740	70660160	22686966	40260692	27551610	148628560	49279392	28239748	27714816	34597832	28390092	37263860	66876868
linoleate (18:2n6)	2169591552	2720472320	1500459904	1822359552	1666795648	759989760	1938312832	4147164928	2853637120	1731039616	1507253120	1758644480	851670976	1165286912	1142368768	2319591936	1933726976	1308945920	1233091840	1576696320	2268483584	2268995584	720520000	1503843968	2648555008	1097927936	1809601408	2592424704	895167232	2488515328	3564264960	3203904512	1906105728	1792879872	3239201024	933428352	1832582784	758334784	2529118464	1803206656	2100836736	1503059584	3040436480	1555205120	2679824640	1315378304
linolenate [alpha or gamma; (18:3n3 or 6)]	126043544	258836352	130344576	149961920	125762128	72396384	163828512	428042976	171907648	133807904	110745280	135567776	62609560	70260032	56889008	186262160	150297360	79969624	87789304	125913440	201722096	141995040	48327320	120046016	225279104	83341232	173011728	209730176	62213644	189352608	294709792	230456736	120316968	130356416	292724256	83414720	100874608	49126504	160880480	136247664	116860160	79193152	202448304	131001904	175170880	81593296
lithocholate sulfate (1)	413977	210276	432744	323335	1716102	215910	549134	185876	327596	1192756	612841	139739	690672	1242071	375846	802381	2470102	2065016	734353	196811	142575	165915	1037740	752336	923117	508985	170529	1025048	959456	845322	496294	775919	2352088	895815	429659	807783	1824876	1420017	1365588	1187043	792044	888986	247784	715829	438667	387599
lithocholic acid sulfate (2)	533395		161504	69439	31431	44330			82785	99322	46136		35085			64467	72076	134353	134110		94404	53118	35934	415175	65388		53205		1138085			41759	129661			138945	31866	350109	556151	61989		271418		363658	27537	
malate	20911868	14650554	22785468	15991667	18434596	15522693	23045426	22658832	18682716	18142780	17302696	18787858	18434166	19111184	18659284	28128894	18415644	15222441	17327548	16805020	25830494	15304773	21774912	16615859	16715297	17125240	16450461	24105640	14907255	22464252	19716936	17857248	20557352	22551404	20497998	20646084	19121454	18008864	28841260	17346820	14175451	14717717	18318732	26273844	19909140	25656610
maltotriose	958980		1250306	676101	649174				927486	1174012		1575990	1823635	843834	482658		104212	1028667		1218293					855763			731396					1075897		392130								1133855		423287	
margarate (17:0)	36319452	54158432	37376520	41249832	27920256	18366784	43974508	71409344	63794928	29846456	33659612	27735230	21557056	36436380	33027202	57732048	42803108	40029440	45192428	42870344	45297800	36174600	35121184	32663216	48419876	43553728	33263128	57365152	29396584	69626880	51256848	63909276	30540856	37214220	60715864	28146624	48144384	21082940	59777316	44265784	55638792	54943064	93533472	32753050	58559024	40893892
methyl glucopyranoside (alpha + beta)	1357144	1504831	378932	375483	203253	373980	2912613	373688	89160	827063	425221	265895	217132	310078	110393	266823	522992	100081	730069	278155	874084	506127	42031	716172	1532381	655689	489032	140755	1138639	345127	783150	230868	602914	176632	355323	491389	313655	361405	333930	627850	548267	3537149	505153	492011	685812	
methyl-4-hydroxybenzoate sulfate	2748748	2116475	12892741	457049	602979	7965605	1210948	4994058	2260179	349851	819462	52975	2017740	89897	59713	3074174	14735457	62071	143642	158579	52419	145179	19196264	8268680	1541851	6249522	822848	2414834	11772290	2143179	2554008	9710104	86807	2933195	7484818	12530590	737871	841816	738475	7799219	88458	259058	196532	217981	603378	1709128
myristate (14:0)	403457696	474782784	302471200	202598880	246174416	65534344	279721472	652083328	406626848	215209952	184362288	195713408	134123384	154635104	106406632	514581280	250802496	190537936	259793536	330135712	291740512	139271712	191327712	236425952	410727968	219406608	250894864	393900736	83025584	320574240	388797152	406014400	204418656	257896864	369525632	125320416	267241360	107566488	499812128	395345472	269944640	231458416	609636160	169326384	165317248	269605248
myristoleate (14:1n5)	80138160	145656624	44090368	36160000	62379936	10046978	59846044	167006640	80200768	39952416	35640120	20031614	15867701	30454692	24457972	48061288	58612632	24866172	33658012	58783792	29269320	12782548	31742848	48746504	126745136	38782676	51808064	94975208	20183000	36044728	121269912	70605600	48171744	55292776	31531352	16533766	34322376	17561000	49126872	55114524	24780978	35231872	56595436	21891424	25062578	57163928
N1-Methyl-2-pyridone-5-carboxamide	6801043	7189903	9335306	13715303	12952065	7245737	7344929	9002787	8997911	10897379	7510103	16643986	8098165	7979082	10110716	10981658	17238320	10422341	13661473	10685295	13515863	7831836	6562671	6029212	9371396	10842595	9474650	10226672	8767037	8820882	9045097	11298099	10444408	9480978	13077547	10226000	7278816	7882751	7321963	22881208	9193161	22205664	6396885	6533389	4590713	18803924
N2,N5-diacetylornithine	113461	83936	154421	101926	61019	70972	38789	39219	26839	203164	110040	63198	143156	79891	53022	60140	190311	19048	66898	114787	36941	58122	87268	152224	98149	148372	53235	65060	202463	73058	76273	37089	202482	204496	111672	75554	205448	96649	68757	261412	76531		92593	38640	61163	26291
N4-acetylcytidine	163397	93098	86930	98039	262628	85524	147923	115629	195645	80255	173452	122647	82805	204585	100873	192991	160553	97657	214804	155228	301472	95658	180235	78677	102853	110725	83150	396183	87690	65899	142156	119674	117700	121371	100660	100103	120394	137937	140622	89903	138694	240803	165624	331547	88554	182886
N6-acetyllysine	445222	349187	383342	403409	370877	370136	256671	345553	241132	259954	231632	287744	368528	345866	368412	440487	354817	299885	511801	282201	500731	334743	379432	674389	411161	461820	300652	547338	650826	366427	485407	362506	242946	373712	291309	410057	339240	401659	378442	291812	276118	669178	333444	329892	400965	511324
N6-carbamoylthreonyladenosine	146756	111009	79270	92903	109905	77529	62276	118609	68567	76828	139731	65100	101333	144017	93321	154727	96792	95993	179534	97549	151615	70779	71815	144992	127352	106820	62285	199613	120559	92840	108384	122848	78967	122186	84901	118260	119599	102262	118154	90265	91371	226834	96067	125535	107082	142347
N6-succinyladenosine	87459	40495	48932		43578	49176	50477	77083	44577	52524	45233	41854	81780	43090	54659	71961			272694	59868	74554	67614	63333	76209	60408	45665	43576	57141	65713	47835		65732	79843	55137	47371		38525	57537	56252	46440	48146	222208	57468	51755	35818	61957
N-acetyl-2-aminooctanoate*	340912	275800	565386	218064	395212	559858	170613	356217	86181	512292	839441	531586	372622	1699144	712839	455351	303935	628684	200460	302895	631407	360909	901551	357034	303336	702431	158866	465443	803136	229532	242018	190259	615966	955822	1029713	425045	362995	893373	769750	200347	1183059	246241	287332	917028	405241	729611
N-acetylaspartate (NAA)	2507223	2178133	2681337	2436211	2371582	2326478	2421664	2343525	2132499	2501691	2412551	1948655	2143414	2403511	1762929	2832052	1979941	778404	1787961	2227617	2151666	1827214	2093163	2147239	2062945	1986696	2856780	1972505	2377332	2492927	2268082	2140941	2535299	2282467	2075361	2084087	2252641	2138036	3074950	2168843	2546114	1730948	2247778	2805684	2001422	2529470
N-acetyl-beta-alanine	425579	412163	459508	401234	370675	505532	228240	384946	311187	383733	354821	516352	420661	352904	267346	579257	311066	324666	475656	395494	438909	302784	476603	270264	364351	358859	317170	388417	339007	293753	251007	305553	343455	381990	541420	216333	382454	376059	574824	382263	388573	719886	337540	308927	329322	706506
N-acetylcitrulline	103965	37726	372867	47924	242155	103795	42641	75814		215339	122518	209693	158525	36168	67964	237652	72570		98207	157224	108792	86363	325244	131163		247934	51345	66208	93219	68471	24181	100188	217026	157344	105633	60186	43201	151482	124217		73630		85214	40878		58381
N-acetylhistidine	115799	97358	121717	74422	77565	76806	69520	109829	54404	124157	70685	85156	117116	98300	128999	124501	154977	61058	76028	110347	144167	116078	125822	170867	118242	85598	89250	78977	110902	57339	60705	106752	178890	100757	80470	101921	82619	131124	101604	98317	96132	85458	84339	103564	97849	98597
N-acetylisoleucine	89027	50238	56560	68208	65886		45296	80622	45985	45904	80391		116199		99578	81893		46488	85532	44288			155116	130608	73974	66851	31554	75866	78069	57843		75867		82833	65024	90988	72513	94752	72330		71425	73791	50577	51003		96978
N-acetylkynurenine (2)	10819		91542		24683						89821	73724	125245	40153	60331	80790				76529			107134	51828		111172						17730	26814	37896	154008	144253	29616	60145	36776			28699	48510			
N-acetylleucine	70769	48891	119597	77505	44630	57858	48302	63466	46539	106816	115820	83361	89620	71605	113466	74874		69726	129248	105601	145436	63082	161120	142546	48101	121982	58142	76018	92800	57121	70594	79498	69160	126978	103993	127203	74255	74523	68075	62202	92003	86085	81726	86730	72220	85850
N-acetylmethionine	608826	488039	647491	486522	476626	374789	418648	555785	417383	467350	382970	407757	506422	590741	517966	684211	429233	566059	997063	513562	816728	321563	535816	815128	613800	675563	386974	583006	698448	528049	454862	437849	499163	559730	519519	507543	499859	681923	565937	387538	540303	663568	574661	614692	513083	637154
N-acetylphenylalanine	109546	101630	244992	81865	117157	109241	53500	121104	70043	155889	164635	164611	196410	152830	158632	418044	96499	103200	189546	196794	154590	122093	250370	193213	126316	276516	74120	153025	233937	110729	107934	124831	196951	222652	292493	167809	145069	176917	204746	95056	124006	169663	178242	107791	110248	178470
N-acetyltaurine	904476	65713	692295	108267	615250	396543	592225	418728	614939	396535	174326	609139	670947	237017	135585	484405	114286	73085	1196575	459888	704774	571732	779173	287242	157895	180664	374793	227665	170970	110514	114810	588202	434032	147503	89661	84851	190986	198145	549026	77745	314797	383459	581494	695895	168870	347297
N-acetyltryptophan	56036	71608	98274	56591	64592	39082	27197	86998	24601	65474	38333	100048	164836	145101	139131	225655	111166	52533	112492	129909	44532	73684	247817	116737	53206	130228	29006	102933	89103	55576	75197	41588	81168	48116	132526	175302	81821	165846	117593	45250	83816	102914	133958	39578	71123	115219
N-acetyltyrosine	65243	75858	121193	70188	86861	79641		99651		78552	120161	126987	91363	134668	96498	189383	69442		76999	107648	89873	96562		109239		169721	46424	122179	100448	67347	100270	57732	103771	136602	213622	119039	127162	159249	110514		62102	109560	114314	74748	73829	119433
N-acetylvaline	284162	224113	282868	175745	208796	182460	192066	232031	141831	200940	188794	187580	247166	231771	232402	250120	180894	235919	462221	233742	287454	179399	288157	387147	210201	229015	227740	245692	272843	320510	247825	216657	168909	279598	192657	273968	220272	275746	256212	202195	199973	343178	237468	214434	205571	237472
naproxen							114815272							18235238													69930144			264261952							94887408	635136								
N-delta-acetylornithine	2042263	1421307	852768	1627293	992352	587215	1157675	1448325	1065891	1093768	480413	498780	1751524	1190508	600319	984971	2714651	1440604	3488094	1408435	2552974	1667299	915343	1845759	2077786	647305	1517228	1162555	1268208	1009435	2098891	1153702	1592327	689191	587427	1511776	3006607	1343880	1631188	2260906	1902206	2926404	1362008	1671034	1648587	798644
nervonate (24:1n9)*	12948164	8661191	9133624	9154897	9464121	9723815	9314152	8252744	9419255	7618806	6019839	10499500	11584063	11457371	10704279	10219008	11751470	11566279	8954453	9584881	17446644	29811872	3601995	20443388	8836897	10299908	5425271	17258194	8846956	9918261	9203653	18095750	10066268	7294032	15406819	13668954	7991213	7685364	11420180	5439076	13195920	10443344	21018094	11603664	21365400	10602224
N-formylmethionine	1599719	1907120	1751208	1736302	1233172	1252457	1294748	1644305	1075877	1331453	1592140	1345820	1746296	2033967	2158606	1858821	1648866	1426430	2410833	1664880	2422436	1018032	1864654	2354802	2483170	2051105	1433691	2149420	2234266	1864655	2012857	1824464	1511142	2287811	1710175	1867859	2162850	2184971	1641449	1438505	1534618	2327124	1715834	1819064	1483709	2155396
nisinate (24:6n3)								1285007					364352					2783430	1930495		4007356		524910												1284482	225432					1233680	1660527		1232405		
N-oleoylserine	341471	131772	119370	139959	196338	226832	261231	197892	198536	110336	135373	169938	95177	152163	81969	144876			97397	125599	222850	196059	109181	181667	155463	74846	130169	100937	148954	142316	157370	179074	124686	73505		99296	383835	77844		95355	164481		222111	229580	160028	157274
N-oleoyltaurine	155632		149888	195364	275219	242042	539441	310999	342810	248891	208102	213000	156268	207995	82842	370909	221995	101045	185933	202937	385685	349423	181874	93932	185824	89222	173345	342472	187485	341121	172483	285116	178393		455376	143847	360556		214951			144759		265934	192434	255656
nonadecanoate (19:0)	2320261	2411247	2559271	3241673	1776121	1702256	3449353	3230587	3556488	2021610	2441817	2203012	2046161	2379267	2316279	2611497	2399060	2699811	3054595	2528988	3268854	3735604	2473421	1957374	2575152	2291081	2574081	3276449	2323075	4795880	1924776	4372738	2495776	2697602	3898545	1939369	4782718	1649772	3058232	3468467	4461464	2903594	4953397	1907587	4303054	2185177
N-palmitoylglycine	387876	359981	286500	224144	240447	212823	324628	287879	391996	166070	155201	410356	181315	286987	167195	273860	145139	244285	201455	238530	307448	348815	195208	139088	342669	242736	198973	177640	189034	210767	206469	278702	156348	180526	478251	214058	329691	167873	338946	219087	356338	179640	392603	274702	235496	177906
N-palmitoyltaurine	128206		180234			73264			329186	156589		244943	122944	121054	85935	392731		117837	83719	87395	273177	156947	203471		178734		82459	340161	100502	216171		154553			282784		193738	59853		147586	87160					222446
N-stearoyltaurine	145221	81226	121712	134174	118808	71059	261239	57950	237812	87816		174374	126664	92905	44253	164163	133065	136954	101761	124370	117334	112967	140624	94094	106649	103058	100922	148100	92220	197768	81781	178576	127068	77561	288875	55208	167523	65534	166965	114906	100582	98331	169114	118965	95179	113646
o-cresol sulfate	63727		73421	49857	44316	62484		19250		74533	55441	48477	187632	137185	69250	80806	144552	78678	290841	48234	205528		253992	666349	13986	183729	19532	63466	181764	136088	43286	42514	98504	33041	121890	175371	146273	108931	105704	50513	103125	570298	110800	62556		138279
octadecadienedioate (C18:2-DC)*	633739	740355	471068	672871	378420	1304901	890914	630876	232244	578771	103291	515030	3577828	1470212	135526	1009286	596939	2511197	2695420	593370	12059832	1466348	284595	2109329	647298		649707	629860	1655396	185963	791746	971323	824822	1174392	930188	509697	1071499		453727	1411340	229167	3693006	528226	6684615	2048997	1138116
octadecanedioate (C18-DC)	948427	750858	495610	727274	608635	719070	784721	629007	1010053	390077	622721	758998	560665	1540628	622678	794443	1128435	2854273	2146615	861716	7459677	856366	443732	1253054	778774	1209167	454696	926041	907127	432742	751337	680366	603650	510371	1107875	759306	1512708	405714	1191751	861459	536956	3195220	688615	3795917	1100713	706321
octadecenedioate (C18:1-DC)*	5341359	3562282	2954287	4617881	3789238	12564237	3425855	3739581	4332584	2904210	1266078	3573449	3212100	5026760	1995406	3073079	3338901	8136004	9285965	3216343	54011760	5436447	2162312	6748777	2842839	4034962	1862850	4446909	8302255	1224114	4274296	2716612	4354706	2760826	3523044	3178363	4604742	2344106	8812650	2587251	2849738	13886173	2878061	39796488	5402160	3426945
oleate/vaccenate (18:1)	6477237760	5948938752	3380310784	3806379776	3736258304	1883938048	4204755712	7216712192	6510210560	3628628736	3692916480	3489720832	2605581824	3027416064	2992777216	5625837056	4231985152	3222530816	3430973184	5162905088	4366864384	4359336960	2133760768	5373282304	5743892480	2500689408	3599195392	6119667712	2747771136	5016388096	6738870272	6303946752	3930183424	4445599232	5780280832	2471416832	4997117952	1850259072	5721841664	4519186432	5050845696	4420941312	8379431424	3339314176	5110968832	3720327680
oleoyl ethanolamide	747901	361225	303472	482828	489430	232845	368387	872615	396387	282926	370685	649670	424521	423404	128661	160679	410778	391055	252898	496415	477387	682789	202718	356536	546782	244128	238510	740527	359856	525813	535008	749110	575318	204197	682861	258423	463902	134675	154709	316391	492774	268836	953799	318606	612391	233696
O-sulfo-L-tyrosine	1543688	1238675	1150778	1234058	940040	1084119	843511	1339153	890776	1041419	789029	1081889	1230983	1134067	1067530	1103635	1213260	1156856	2833917	1291003	2489467	1526677	1462499	1513971	1548467	1196584	1027843	1261579	1230955	698320	1207177	1607472	1375074	992887	1123381	1079860	822548	1378556	723010	769737	1125250	1751266	1216008	1272751	1430936	1187619
oxalate (ethanedioate)	12497121	12744730	12589005	15492071	9687107	10865780	12633070	15463964	9535004	16342270	14018338	14426734	12567250	13278529	8447212	12179631	14234195	7356423	7381305	11403845	9096637	12094278	3362719	10828654	12656969	8353987	14641876	11519301	12535183	10496808	14078400	14739419	16854736	8888045	13031156	13858942	12769619	7988122	15462801	15848731	12418862	10627760	12112333	10795249	15856639	9577681
palmitate (16:0)	3911451904	4607802880	2672463360	2935784704	2387040768	1097898624	2980785408	5011171840	4243210240	2366029312	2252556544	2709472256	2053562112	1868009984	1913978368	4239552512	3282770688	2746749440	3018235392	3802723840	3559525376	3067795456	2134958848	3280849152	4537519104	1964456576	2508323072	4190534912	1456228480	3968353536	4567430144	4250203136	2409078528	2825360384	4608388608	2009848064	3131899648	1441212032	4244444160	3955375360	3634649600	3450407680	5948704256	2503482624	3189038592	3096293632
palmitoleate (16:1n7)	1205983744	1323408512	355488160	452336224	519428416	104790056	443629632	1984429952	880108032	324685856	262847296	226270624	169668160	227764576	170274160	507633568	493660992	215823216	351958912	755768832	286700000	140979440	154768496	498873248	1283536000	206417968	510591872	830026496	136846096	378675712	1399749248	746485632	398776576	390232800	438269024	173689088	340320192	112522496	493855104	702243584	394178272	354300320	1367247104	180689952	196867936	343724736
palmitoyl ethanolamide	587174	341026	402658	443951	361819	289441	389092	693163	454199	269080	292989	734609	513332	502569	406718	279221	472435	635852	387907	423310	584782	644055	351717	318948	456564	436161	328004	771348	517637	585087	569536	764572	527389	291075	727071	447975	470984	302569	273453	467031	487630	367449	799035	374523	522206	344108
pantothenate	3144886	3257775	2214576	4525504	3193768	2650414	2573820	5801490	2872836	5379843	2671646	5539842	3439391	4189417	9961770	6222147	10490699	3853996	3225661	3637307	6016599	3201654	3358802	2723924	3793076	3883848	3754454	5424485	4603611	2705223	8198551	2900023	5158157	3056423	7644519	3883078	5901450	3466392	3555081	8749299	5226167	8693343	3431886	7131273	3465713	5885320
paraxanthine		320688	941834	1503513	2327052			1095904		796137	850741	1081979	2371066	1484192	3356443	3109811	1952321	197765		1794914	270386		633711	837626		1876116		3090539			1688745		1526995	4584278	6475295	2327854	2583808	3037580	2798842	1056091	1047557	490351	3268886			1545104
p-cresol glucuronide*	208004	21112	333120	4201005	803349	982266	691143	466319	40863		1721539	166408	583509	1152680	4166825	1140371	3258352	660565	1050110	908470	192581		534808	807513	26411	887045	3433170	914954	1840483	2753721	1282834	135847	21748	1537264	769879	671268	2244885	2084332	1513703	3709807	2129517	1977364	964886	219755	198701	281099
p-cresol sulfate	179303504	63092140	144904992	399754336	321260544	284757632	267127232	139558048	85633952	64775712	652325440	144601104	223390896	313678816	382514272	257765120	481944768	300142752	242698960	232545744	111879784	53336520	253809792	275653024	55366952	199993376	285150784	287553280	400857248	298517984	203201488	172397584	64492732	431718080	195816256	221546000	291747520	419145056	293244480	425230240	310076384	441464256	235615648	127813232	133589408	140633568
pentadecanoate (15:0)	70252352	61615432	39239476	37755592	38928940	21282346	42390440	82738144	72455584	33448756	37415556	45281400	25625266	32110152	22440700	62200964	42067836	43629892	43980948	47611608	61713800	39375120	39086632	41876868	67138680	42135596	41915496	59416380	24644768	61680132	61385172	58352208	37293636	46195548	49354912	33310124	59800040	24586058	72403640	63423900	59876320	50410072	109834256	31960176	43921152	44197604
perfluorooctanoate (PFOA)*	223354	518693	186454	1441625	258659	292144	225813	204341	434241	274176	259521	163227	315309	204765	370456	130479	382175		282792	249269	296718	324460	335327	173553	524358	206533	992769	205530	299907	235473	216301	568378	335250	229110	213382	264377	166830	334536	121498	273147	44970	244213	269100	230255	401650	368252
phenol sulfate	171921200	27303128	44990100	48942368	121961792	40700708	32236272	21893280	25567672	62948752	94987768	30683648	29884772	31124216	67351392	23451420	47629488	58975224	111703312	63140964	162321552	96933984	144794192	44768628	23184698	55955928	43900588	82267280	61270532	25438496	34874492	57368592	89596832	42335368	67442864	27223300	17458708	239657184	26464588	28764482	63425100	58576992	32974732	120318496	42913108	180442912
phenylacetate	39959		54389	197692	224930	141734	69571	101610	17743	41270	117050	27856	76364	62872	93257	90899	145980	26597	121757	76080	16904		61311	63108			189519	121986	102801	107078	54046	43472	50617	70007	40631	67067	91313	108630	130842	199740	62374	30926	48674	21242	37765	29453
phenylacetylglutamate	46004		63444	193033	104102	60058	92411	73114			156984	32056	78716	88064	252053	91453	133805	83219	193340	71978	54908		85233	127902		110847	174115	115155	95809	279743	92743	87589		193107	87475	126138	126984	277810	138891	137167	73313	223516	73444	25975	50266	98939
phenylacetylglutamine	10711790	3581563	15054557	32101790	24097494	20420228	18591998	26105652	3956349	7895072	33607936	7713717	25985640	23283810	36257076	19349364	25146080	15177043	34900544	22105676	14708843	3186352	19898180	27022880	4941750	16451768	30297112	23615796	21905510	36659176	20195028	16530650	11591451	24088868	13800452	26572776	30053510	43953376	29779612	29631812	15673170	32783988	20844180	8141488	12976671	15637702
phenyllactate (PLA)	737000	672032	978116	611551	667577	459162	529811	780976	518789	5464517	835446	1027721	960640	703072	753269	1238944	442508	905519	1389081	950644	1557339	570740	727657	1507974	800943	752125	661232	866693	765236	546871	777028	1068656	657955	1015764	876499	1132132	911393	1012650	1165023	600992	1132027	1103729	1115097	1190451	670124	710385
phenylpyruvate	103909	208373	231766	289459	119141	207566	101326	151385	198766	254484	163762	194103	301163	249266	193835	288232	329421	372157	390556	263106	310869	170244	263338	155108	188473	216534	176734	110590	290662	93246	111422	234713	158844	201204	180947	228350	213084	119824	220418	248294	297688	275057	229919	216143	200041	150195
phytanate	1837908	2438094	4145150	2867789	1888749	1850391	5640151	2127518	2527424	933314	2166722	2344602	2977919	5335442	797407	2494165	2081633	4279414	5170541	3417375	7285021	2586803	3189256	1143218	2629168	4886792	2633397	1863050	2669878	7052578	730148	6032483	1328176	3056006	5797959	863730	7844874	2099571	3014778	7191330	4820879	3668218	4348270	2822989	2360627	2386133
pregnanediol-3-glucuronide	157485	198211	2025864	214261	344722	248399	257028	136978	228055	105885	280187	171822	254247	206080	89841	147649	241499	50196	374156	179839	166093	99692	128344	128519	271880	2043945	227810	383161	250424	331253	162242	214423	141252	294720	141257	187248	283233	111492	83866	179855	115191	816923	163866	458625	96488	219717
pregnenediol disulfate (C21H34O8S2)*	2206853	26461972	37040080	1283369	6191990	2993441	3725117	8162785	7182801	6985119	7480352	10772592	14070589	20496344	10167579	18664224	7512518	7300170	20621680	9066808	22242572	9259301	8370057	4238137	23047198	49612328	1312879	13388829	7501221	7534308	10979348	8025236	7817951	15757019	24926240	15246591	19086460	10257350	10589055	5417471	10852693	18760224	8394921	16979342	14904754	11791426
pregnenediol sulfate (C21H34O5S)*	909274	4381599	10422025	793823	4782700	3170381	5070879	3259504	3761575	1772030	4981346	9955348	6886029	3968329	2110785	3919376	1828884	4862550	4257632	2760450	9636772	5316442	2788044	774577	5744210	15599935	941775	6230293	2381808	4040837	3761057	3883292	2824135	3668766	8380994	3819946	3963098	2033906	7189225	1151644	4154198	5197366	2888856	5856248	4183529	2061498
pregnenolone sulfate	322574	565377	1960556	183853	687439	639034	1023048	825833	710723	352942	640016	2034955	781261	699495	350182	322736	198947	751007	887843	263476	1872031	905980	475385	104294	963900	3096079	205336	1388316	435359	1284350	551521	685085	614362	439140	1054630	695420	705598	425414	730297	213082	660771	874283	441026	942401	468024	456470
pristanate	119769	294530	431666	256130	308078	352696	398416	207345	584161	183053	311747	174023		284502		212007			489905	307638		191151	231217	201605	369818		257031	229585	240105	382542		614104	153448	231696	338061		418786		476504	440453	117264	180151	282972			526046
propionylglycine		280558	276867	283157	44560	112522	224857	87909	85454	151880	108287	172083	155136	126880	191628	98347	122428	127336	106160	77707	94218	98966	124743	240071	175090	233594	207280	77119	146882	130339	83268	150475	85701	188227	132477	281560	125207	299341	61207	161155	126878		76980	121157	132246	49818
propyl 4-hydroxybenzoate sulfate	242758	511360	407944		244004	1223479	447693	149704	485974		30799						1394763					62935	799440	2393766	864490	551982	189209	809665	1835948	483413	1266024	337420		165561	1781581	930378	108321	270419		704550					88631	
pseudouridine	10026233	10080324	9160581	9165570	8690763	6961286	7259495	9984267	7214082	8397155	7790225	6897545	8464887	10054791	10521629	10599498	9492606	8890511	13650472	9845049	11715242	8980132	10407906	12143010	9176050	11068172	8883345	12124901	10177267	8765989	9854525	10602552	8578263	10352152	9164989	10766891	9826623	10722549	8000840	9038017	8836561	13621920	9795717	7917996	11171786	11562139
pyridoxate	2110240	1290826	1380928	3663675	1397753	2583366	1856881	4024677	1047017	4378503	2272593	3880819	2391898	2867125	5735608	6705946	5088257	1686235	1929183	1599352	4869959	5249821	1214695	2010975	1603903	1667051	2006913	1250521	3650190	1623964	4677609	2040622	6695771	2254765	4545864	1615088	2565543	2277476	2127239	12333438	1759753	5097149	1605603	4868704	2810356	7173184
saccharin	132276	163676	51410	119457	1176275		49477	1449379		78138	48440	27816			72630	1811217		341043	139295	237243	112658	174424	163037	114907	76103	30135	35928	3360999		132086	146810			72111	51380	16724		65273	4253265		145906	155888	1014971	331967		76779
S-adenosylhomocysteine (SAH)	66241		39067	38430	36077	22335		34291	43580	23455	43074	45922	30162	55508	37034	45251		43541	104225	30782	45426	13682	68033	47166	38778			45865	28840	21427	44416	15024	20953	29865	34160	21702	21993	40200	39704		31343	114255		71004	26761	42181
salicyluric glucuronide*	129019			40996		94177		99551			36703	16082	37110	150527		93086	51538	74653			4629193		104268	191398		563892		142557	19789				23406	35423	101863		1879370	47699	72170			42248	59527	2202618	108560	636737
sebacate (C10-DC)	90492	97349	110182	82031	61723	84112	152349	120932	70516	129385	53991	51359	91176	162388	133272	291053	124125	170651	379725	124199	981780	140201	213640	180505			102260	210606	192928	93240	142518	123135	126721	99119	115152	115382	139791		145587	85865	53653	260538	102401	346488	178025	148503
S-methylcysteine	954681	1187689	583701	557274	605893	1742699	1418648	1139378	1475368	649110	523440	1452096	1171733	1098032	653329	1051324	427894	798349	1144245	883933	516875	1983317	596963	1390555	654149	477658	787217	430487	2574202	560437	1130296	2118222	1351671	1997895	1243798	785189	804842	604166	918345	1544874	741030	592997	545143	1282303	2124884	623704
stearate (18:0)	1234822912	1185496448	1166566912	1157054464	806582592	581311808	1695378176	1368672384	1732615552	913147200	990683840	1086920576	765990400	833544448	863260032	1708278912	1126000256	1139898496	1339074304	1473161472	1486580608	1556786944	970827584	1105171328	1135078016	823245632	1021944320	1421288064	770722112	1876646784	1042375424	1834638720	839204288	945639744	1952861184	623069248	1563796608	648742336	1572352896	1466075392	1759302656	1335158016	2338738944	960760896	1491720192	1169865216
stearidonate (18:4n3)	2395476	4027371	2286390	2070000	2040595	1000624	2210156	10168205	1169227	2369061	1560171	1447424	947768	674897	447446	1884691	2833999	1658071	1348760	2467807	3521784	1399703	1243280	9144298	2930237	1215189	2846654	3221717	770648	2450959	8564297	2986660	2149743	1655251	2750085	960000	795092	941662	1193049	2681297	884614	990078	2074745	1448988	2056309	1673002
sulfate of piperine metabolite C16H19NO3 (2)*	228724	261921	1009819	809703	456822	44223	296808	293024	299361	243984	1859655	162902	977250	295225	4526331	267072	1474445	1120423	1041093	694444	870414	140629	1801872	249969	476768	469092	242191	1066175	89721	582372	228881	539398	693009	1054798	1085204	139531	310846	1602849	617883	91974	1535898	3052266	662189	1027515	513849	775467
sulfate of piperine metabolite C16H19NO3 (3)*	171307	185434	623886	523465	312241	23058	160990	122412	161774	131549	995926	108118	567033	168548	2458147	232490	789441	531166	903981	442922	534084	83951	1031936	134907	221355	248161	133009	541548	59134	417737	109077	221156	380456	649966	739353	92876	229432	1073081	228194	49901	820481	1832999	351130	901567	175825	362311
sulfate of piperine metabolite C18H21NO3 (1)*	33618	35959	292202	314108	127083	56022	79372	43820	71743	82766	630096	67632	202348	167532	978490	109198	114875	401526	288341	298158	287170	32287	664060	101923		262628	218032	331779		445899	36824	124676	156607	412356	422903	112818	112305	433956	139200	113028	475044	1069946	224385	203830	247573	172014
sulfate of piperine metabolite C18H21NO3 (3)*	33083	44253	215696	228147	125534	58349	88795	36268	67961	68238	473481	47094	228173	145529	799525	95264	284822	321959	264160	226316	210471		472811	71793	116053	182236	145882	338552	55825	332467	40050	117507	294117	346283	322271	110105	86011	629555	131063	103265	355611	721611	172808	376699	267607	170190
sulfate*	47213992	33689308	47900680	39121544	45559204	37584540	34952260	32842880	40511184	30672562	42348740	35453228	39705536	30301686	46979920	39724388	43496780	28967294	60810772	50698332	41464052	34211408	36349372	51312572	37133996	37830836	37327992	43798416	40329608	37580280	38275152	44276316	32314968	49945800	35089012	36988752	31653966	48607012	45337808	49781184	30481170	55182260	47591488	35811440	38189708	30898604
tartronate (hydroxymalonate)	1186071	1271411	1171118	1798464	1043034	1377869	1021954	1413147	958946	2240365	2027034	1987608	2297047	1073982	745205	1394419	1227355	807707	693773	1043463	818896	1400329	142828	1438715	1391001	883487	2003432	1540752	1104527	1457732	1396466	1260223	2123342	886691	2004260	2249575	1632142	758686	2356651	1669730	1812382	1024091	1712930	1053473	2302759	870644
tauro-beta-muricholate	277598			179006	65891	531398			62951	28688	446468			53382		114767							75197	263794	27453		111304		241580	60502	50564	51708	89523	114486					251909	33727		23567	32673			
taurochenodeoxycholate	342744	250007	96189		879200	494366	531058	358093	728069	1714205	698070	217553	1231229	101121		5181929	175465	103455	863784	362753	119963	821696	676774	342136	228051	154184	180997	289454	337901	1190927	346501	63026	2514787	305287	32047	1817195	59996	35839	8644488	444344	144450	1188431	776746		322881	179343
taurocholate	46432	59165		76835	386833	149465	80359	152256	134414	2510461	333020	36192	472591	28992	60020	5256174	78577		206349	103559		1030258	485698	49928	42681			138939	361092	313968	103991		3367054	84583		543921			9020460	171455		343862	181625		96344	66497
taurocholenate sulfate*	444944	3095145	1038750	1267988	1983532	3806255	568583	1244754	2737531	1626731	507689	660688	1748486	3387961	1220033	1336727	1308048	1152073	4154521	1426842	1447285	2011340	3663236	1698072	4608290	1684612	811944	3177954	4033124	1525071	1710291	1879768	2208250	858317	892157	2469888	2361521	1139778	1105808	1337625	1783800	3639867	1376759	980735	1113540	3269683
taurodeoxycholate	193489	179295	132735	1365705	1418132	1125323	427672	86957	1116802	3487678	1575072	80946	680892	40025	339762	9169139	999405	136251	308804	415357	24186	963523	1207430	273893	240257	242124	416594	382614	1189707	1992072	286487	123295	4238189	650846		508634	23731	182692	13114277	1971199	194472	831961	801917		358743	333952
taurolithocholate 3-sulfate	370335	1874969	797948	3058630	1184043	7820567	2217432	101377	3992283	1399665	3035372	1095605	1724129	4693873	438833	952191	2333279	763717	2051079	541832	305100	830527	2443847	2482527	5708677	585394	2085851	1164737	4737679	1591813	721772	3042200	4026326	889348	657004	2300607	2792428	1525343	1496435	2216631	419600	2402280	835157	1181762	893588	2342342
testosterone sulfate		140083		32016	67930		32122	68536		30976	21362					35190	64998	119541	100505		104787	59213			160762			93957		23313	74826		55859	84090	92381	92730					82925	106417		1396689	110902	
tetradecanedioate (C14-DC)	279868	585549	469340	374549	337103	304998	336612	566234	256593	345096	81456	141399	361345	752176	141675	748319	525093	2671155	6737298	585279	10769962	804542	472627	245079	688677	348356	284434	784800	894781	175475	650289	420982	496714	320667	341918	496780	451713	153713	580660	408966	179009	4646393	470157	3180798	400662	665769
tetrahydrocortisol sulfate (1)	33074				47252	16859	12652	34482								115274			149325		210270		155121		40585			122656	35995		29652	55775	29393					56648	199576		65843	230214			36076	167055
theophylline	233722	1819517	2947157	3035873	5986574	166394	291747	5245310	138372	4407636	2880761	2704198	4521687	2866022	6285972	6344255	5525599	1348052		4006291	1059354		1724460	1693596	1382407	5853310	736500	13033943		218334	5501496		5854497	9424098	14729030	5416939	3961439	4936706	5196482	3469266	3343433	570525	6204212	153118		3520069
thymol sulfate	110335	11670101	376854	889751	1043458	202682	3762237	3873392	798108	35394264	932288	1708913	23293832	454532	1353717	207649	2115562	26048624	235444	48047848	35334548	154861	10215073	159166	565063	105488	140233	2620457	745465	164611	701595		59538892	3446376	28455934	238918	791598		2808356	157063	314989	125993	38730928	32109416	260448	62884220
thyroxine	545936	271108	328498	276272	581659	437661	360990	371799	531712	266713	317221	400822	290693	208752	294133	374697	276560	267300	177921	212396	381451	286641	145195	431156	243628	331196	274464	538466	349792	314627	340050	411527	309029	246204	393837	297962	210068	310710	473110	294273	291059	140382	231175	362407	291489	177859
tyramine O-sulfate	32498	750381	269553	142607	99754		130525	150504	20150	37814	58179	22101	72048	186951	131819	129570	138988	39413	138295	41966	199084	23744	476312	240152	63520	52066	116118	58460	37448	491449	121324	68691	60908	106410	26165	49480	203723	115442	183727	269881	51027	50895	35283	126243	22718	326334
umbelliferone sulfate	17756	127991	101558	28132	52421			21939	29193		168535	367089	23299		394533		78912	62314	130357		1052464		180881	502443	213346	53868	63325	198674			181649		170358	120654	87103			148851	181555	165662		302440	24767	102225		346342
uracil	106924	118497	140440	144507	94762	52701	83599	85625	136751	120895	105754	157854	63709	126176	110349	122002		212382	190227	128692	61239	81574	97520		82571	89184	98812	102828	78263	129415	84147	71105	93023		196821	66146	146305	49676	67440	122553	193914	139591		35418	77936	81256
urate	206316928	128305728	162933344	131218440	260531744	157654192	180685680	161579760	220336752	159886544	137716368	251132432	253150480	106034864	144351424	249289744	139750512	135310944	305973856	217120304	247461408	179730208	138346688	154496240	131755984	123538592	132857600	211603696	120188152	132429744	125627112	215018288	128368432	169561200	212395952	195132384	120984976	149987472	261673504	135653968	179382944	275250112	212652784	200088592	133194368	110606304
uridine	14549773	20205912	15098300	21585404	19437056	16697572	19400584	21292526	15950367	20489612	16481546	17028464	17694488	15015175	17787752	15666978	20046968	27790896	16383489	16792124	25566254	19184832	20763036	12309249	21285640	18222730	21587418	15774990	17922460	19953300	19991160	23870044	17593144	18844856	16151354	18736034	17525294	17691708	14358567	13655160	20928392	21157584	14501984	14169953	22864252	18000476
ursodeoxycholate	1334832		313817	375839	315193	463811	310693	3875819	102040	326204	604974	71128	64520	371814	372484	607631	3959960	1514485	263661	98698	1166348	512725	297910	711524		114624	305102	193030	588665	535846	1054758	200009	1496986	590649	44066		350567	589958	1275995	4287955	92068	109192	138634	1137752	118488	227871
vanillactate	64194	70815	84512	68410	52981	41404	34554	38561	55075	65650	55086	44432			52326	61158			142986	61005	117508	44515	80158	100028	78460	71727	31713	96283	68097	62068	66117	55844	53184	83544	60270			77674	63980	66685	40209	131094	59365	62772	82896	84862
vanillylmandelate (VMA)	362609	353572	315581	253335	189991	371354	450267	477619	311431	348038	236942	141805	350378	220218	397597	430618	345819	221688	424710	176213	524219	367891	440183	363071	474203	272356	234260	285763	485515	477743	413393	569392	505764	253307	186269	225457	210013	484234	358658	229384	221377	414327	294778	250948	347971	500751
xanthosine	19765		24892		27922	17937	13299	43234	23267			21245	28045	20058		45505			44114	23477	53059		44621					38269			24651	24475	32916					14973	39694			40564		49166		32796
xanthurenate	29486	62660	108127	61527	64648	13088	39839	27055	33102	54663	47192	35693	71954	27938	74728	74516	117873	100466	168888	96230	173976	40359	128408	57391	66754	79661	35874	66074	30777	52190	30960	60275	32940	36603	46950	77820	41484	144146	53208	160763	67972	179041	61030	46328	66363	77197

metabolite_name	SUPER PATHWAY	SUB PATHWAY	COMP ID	PLATFORM	CHEMICAL ID	RI	MASS	CAS	PUBCHEM	KEGG	HMDB
(12 or 13)-methylmyristate (a15:0 or i15:0)	Lipid	Fatty Acid, Branched	38293	LC/MS Neg	100002344	5499	241.2173	2485-71-4	151014
(14 or 15)-methylpalmitate (a17:0 or i17:0)	Lipid	Fatty Acid, Branched	38768	LC/MS Neg	100002945	5695	269.24868		17903417
(16 or 17)-methylstearate (a19:0 or i19:0)	Lipid	Fatty Acid, Branched	38296	LC/MS Neg	100002356	5993	297.2799	2724-59-6	3083779		HMDB37397
1-(1-enyl-palmitoyl)-GPE (P-16:0)*	Lipid	Lysoplasmalogen	39270	LC/MS Neg	100003000	6285	436.28334
1,2,3-benzenetriol sulfate (2)	Xenobiotics	Chemical	48762	LC/MS Neg	100006374	1709	204.98123
1,3,7-trimethylurate	Xenobiotics	Xanthine Metabolism	34404	LC/MS Neg	100001397	1985	209.06801	5415-44-1	79437	C16361	HMDB02123
1,3-dimethylurate	Xenobiotics	Xanthine Metabolism	32391	LC/MS Neg	100001106	1671.4	195.05236	944-73-0	70346		HMDB01857
1,5-anhydroglucitol (1,5-AG)	Carbohydrate	Glycolysis, Gluconeogenesis, and Pyruvate Metabolism	20675	LC/MS Neg	100000580	802	163.06119	154-58-5	64960	C07326	HMDB02712
1,7-dimethylurate	Xenobiotics	Xanthine Metabolism	34400	LC/MS Neg	100001399	1578.6	195.05236	33868-03-0	91611	C16356	HMDB11103
10-heptadecenoate (17:1n7)	Lipid	Long Chain Fatty Acid	33971	LC/MS Neg	100001278	5555	267.23295	29743-97-3	5312435		HMDB60038
10-nonadecenoate (19:1n9)	Lipid	Long Chain Fatty Acid	33972	LC/MS Neg	100001277	5780	295.26425	73033-09-7	5312513		HMDB13622
10-undecenoate (11:1n1)	Lipid	Medium Chain Fatty Acid	32497	LC/MS Neg	100001197	5085.8	183.13905	1333-28-4	14891	C13910	HMDB33724
12,13-DiHOME	Lipid	Fatty Acid, Dihydroxy	38395	LC/MS Neg	62	5137	313.23843	263399-35-5	10236635	C14829	HMDB04705
13-HODE + 9-HODE	Lipid	Fatty Acid, Monohydroxy	37752	LC/MS Neg	100002196	5275	295.22825		43013
16a-hydroxy DHEA 3-sulfate	Lipid	Androgenic Steroids	38168	LC/MS Neg	100002126	4240	383.15338
16-hydroxypalmitate	Lipid	Fatty Acid, Monohydroxy	39609	LC/MS Neg	100002953	5236.2	271.22786	506-13-8	10466	C18218	HMDB06294
17alpha-hydroxypregnenolone 3-sulfate	Lipid	Pregnenolone Steroids	37482	LC/MS Neg	100002128	4800	411.18468	28901-70-4	152971		HMDB00416
1-arachidonoyl-GPI (20:4)*	Lipid	Lysophospholipid	34214	LC/MS Neg	100001654	5482	619.28888				HMDB61690
1-arachidonylglycerol (20:4)	Lipid	Monoacylglycerol	34397	LC/MS Neg	100001433	6250	303.23293	35474-99-8	5282281	C13857	HMDB11549
1-carboxyethylisoleucine	Amino Acid	Leucine, Isoleucine and Valine Metabolism	62558	LC/MS Neg	100020427	2628	202.10848
1-carboxyethylleucine	Amino Acid	Leucine, Isoleucine and Valine Metabolism	62559	LC/MS Neg	100020425	2663	202.10848
1-carboxyethylphenylalanine	Amino Acid	Phenylalanine Metabolism	62566	LC/MS Neg	100020419	2844	236.09283
1-carboxyethylvaline	Amino Acid	Leucine, Isoleucine and Valine Metabolism	62562	LC/MS Neg	100020423	2008	188.09283
1-dihomo-linolenylglycerol (20:3)	Lipid	Monoacylglycerol	48341	LC/MS Neg	100006121	6400	305.24858
1H-indole-7-acetic acid	Xenobiotics	Bacterial/Fungal	57783	LC/MS Neg	100004601	2862	174.05605	39689-63-9
1-linoleoylglycerol (18:2)	Lipid	Monoacylglycerol	27447	LC/MS Neg	100001040	6477	279.23293	2277-28-3	5283469
1-linoleoyl-GPG (18:2)*	Lipid	Lysophospholipid	54885	LC/MS Neg	100009227	5516	507.27284
1-linoleoyl-GPI (18:2)*	Lipid	Lysophospholipid	36594	LC/MS Neg	100001778	5494	595.28888
1-methylhistidine	Amino Acid	Histidine Metabolism	30460	LC/MS Neg	100001051	1227	168.07785	332-80-9	92105	C01152	HMDB00001
1-methylxanthine	Xenobiotics	Xanthine Metabolism	34389	LC/MS Neg	100001405	1568.8	165.0418	6136-37-4	80220	C16358	HMDB10738
1-oleoylglycerol (18:1)	Lipid	Monoacylglycerol	21184	LC/MS Neg	100000924	6650	281.24858	111-03-5	5283468		HMDB11567
1-oleoyl-GPI (18:1)*	Lipid	Lysophospholipid	36602	LC/MS Neg	100001777	5599	597.30453
1-palmitoleoylglycerol (16:1)*	Lipid	Monoacylglycerol	52431	LC/MS Neg	100008952	6094	253.21727				HMDB11565
1-palmitoyl-GPE (16:0)	Lipid	Lysophospholipid	35631	LC/MS Neg	100001567	6057.2	452.27826	53862-35-4	9547069		HMDB11503
1-palmitoyl-GPG (16:0)*	Lipid	Lysophospholipid	45970	LC/MS Neg	100005717	5570	483.27284		3300276
1-palmitoyl-GPI (16:0)	Lipid	Lysophospholipid	35305	LC/MS Neg	100001655	5564	571.28888				HMDB61695
1-stearoyl-GPG (18:0)	Lipid	Lysophospholipid	34437	LC/MS Neg	100001462	5816	511.30414
1-stearoyl-GPI (18:0)	Lipid	Lysophospholipid	19324	LC/MS Neg	100000656	5794	599.32018	796963-93-4			HMDB61696
1-stearoyl-GPS (18:0)*	Lipid	Lysophospholipid	45966	LC/MS Neg	100004327	5800	524.29939		9547101
2,3-dihydroxy-2-methylbutyrate	Amino Acid	Leucine, Isoleucine and Valine Metabolism	57547	LC/MS Neg	100010869	787	133.05063	14868-24-7	301941		HMDB29576
2,3-dihydroxy-5-methylthio-4-pentenoate (DMTPA)*	Amino Acid	Methionine, Cysteine, SAM and Taurine Metabolism	62805	LC/MS Neg	100020893	1156	177.0227
2,5-dimethylphenol sulfate	Xenobiotics	Food Component/Plant	62533	LC/MS Neg	100020519	3474	201.0227
21-hydroxypregnenolone disulfate	Lipid	Pregnenolone Steroids	46115	LC/MS Neg	100001999	3935	245.06711	1164-98-3	134595
2-acetamidophenol sulfate	Xenobiotics	Drug - Analgesics, Anesthetics	48580	LC/MS Neg	100006190	2251	230.01286	40712-60-5	181671
2-aminophenol sulfate	Xenobiotics	Chemical	43266	LC/MS Neg	100004322	1677	188.0023		181670		HMDB61116
2'-deoxyuridine	Nucleotide	Pyrimidine Metabolism, Uracil containing	52602	LC/MS Neg	536	1586	227.0673	951-78-0	13712	C00526	HMDB00012
2-hydroxy-3-methylvalerate	Amino Acid	Leucine, Isoleucine and Valine Metabolism	36746	LC/MS Neg	100001541	1800	131.07136	488-15-3	164623		HMDB00317
2-hydroxyacetaminophen sulfate*	Xenobiotics	Drug - Analgesics, Anesthetics	33173	LC/MS Neg	100001791	1674	246.00778		86290013
2-hydroxyarachidate*	Lipid	Fatty Acid, Monohydroxy	61700	LC/MS Neg	100019892	5990	327.29047		5225199
2-hydroxybehenate	Lipid	Fatty Acid, Monohydroxy	57663	LC/MS Neg	100015637	6384	355.32177		193484
2-hydroxydecanoate	Lipid	Fatty Acid, Monohydroxy	42489	LC/MS Neg	100004089	4840	187.13396	5393-81-7	21488
2-hydroxyhippurate (salicylurate)	Xenobiotics	Benzoate Metabolism	18281	LC/MS Neg	1869	2184	194.04588	487-54-7	10253	C07588	HMDB00840
2-hydroxynervonate*	Lipid	Fatty Acid, Monohydroxy	61698	LC/MS Neg	100015638	6345	381.33742		5312783
2-hydroxyoctanoate	Lipid	Fatty Acid, Monohydroxy	22036	LC/MS Neg	100000743	3736.8	159.10266	617-73-2	94180		HMDB02264
2-hydroxypalmitate	Lipid	Fatty Acid, Monohydroxy	35675	LC/MS Neg	100001579	5511.2	271.22786	764-67-0	92836		HMDB31057
2-hydroxyphenylacetate	Amino Acid	Tyrosine Metabolism	1432	LC/MS Neg	235	2164.6	151.04006	614-75-5	11970	C05852	HMDB00669
2-hydroxyphytanate*	Lipid	Fatty Acid, Branched	61702	LC/MS Neg	100004414	5751	327.29047	14721-68-7	189026
2-hydroxystearate	Lipid	Fatty Acid, Monohydroxy	17945	LC/MS Neg	1239	5695	299.25917	629-22-1	69417	C03045
2-methoxyacetaminophen glucuronide*	Xenobiotics	Drug - Analgesics, Anesthetics	33161	LC/MS Neg	100001795	1633	356.0987		14367271
2-methoxyacetaminophen sulfate*	Xenobiotics	Drug - Analgesics, Anesthetics	47031	LC/MS Neg	100001793	1949	260.02343		86290014
2-methoxyresorcinol sulfate	Xenobiotics	Chemical	48445	LC/MS Neg	100006184	1863	218.99688	1446269-78-8
2-naphthol sulfate	Xenobiotics	Chemical	62520	LC/MS Neg	100020515	3658	223.00705		74428
2-oleoylglycerol (18:1)	Lipid	Monoacylglycerol	21232	LC/MS Neg	100000943	6500	281.24858	3443-84-3	5319879		HMDB11537
2'-O-methyluridine	Nucleotide	Pyrimidine Metabolism, Uracil containing	57655	LC/MS Neg	100010896	1831	257.07791	2140-76-3	102212
2-palmitoyl-GPC (16:0)*	Lipid	Lysophospholipid	35253	LC/MS Neg	100001562	6215	570.34125		15061532		HMDB61702
2-stearoyl-GPE (18:0)*	Lipid	Lysophospholipid	41220	LC/MS Neg	100003901	6350	480.30956				HMDB11129
3-(3-hydroxyphenyl)propionate	Xenobiotics	Benzoate Metabolism	35635	LC/MS Neg	100001624	1980	165.05571	621-54-5	91	C11457	HMDB00375
3-(3-hydroxyphenyl)propionate sulfate	Xenobiotics	Benzoate Metabolism	45415	LC/MS Neg	100005391	1294	245.01253	86321-32-6	187488
3-(4-hydroxyphenyl)lactate	Amino Acid	Tyrosine Metabolism	32197	LC/MS Neg	240	1379	181.05063	6482-98-0	9378	C03672	HMDB00755
3-(methylthio)acetaminophen sulfate*	Xenobiotics	Drug - Analgesics, Anesthetics	62567	LC/MS Neg	100020827	2265	276.00059
3-(N-acetyl-L-cystein-S-yl) acetaminophen	Xenobiotics	Drug - Analgesics, Anesthetics	45721	LC/MS Neg	2048	2094	311.07072	52372-86-8	83967
3,4-methyleneheptanoate	Xenobiotics	Food Component/Plant	53026	LC/MS Neg	100006651	3807	141.0921
3,4-methyleneheptanoylcarnitine	Lipid	Fatty Acid Metabolism(Acyl Carnitine)	52929	LC/MS Neg	100009234	4096	346.18712
3,7-dimethylurate	Xenobiotics	Xanthine Metabolism	34399	LC/MS Neg	100001398	1418.2	195.05236	13087-49-5	83126	C16360	HMDB01982
3-acetylphenol sulfate	Xenobiotics	Chemical	48693	LC/MS Neg	100004326	2477	215.00196
3beta,7alpha-dihydroxy-5-cholestenoate	Lipid	Sterol	36803	LC/MS Neg	100001611	5275	431.31668	115538-84-6	3081084	C17335
3beta-hydroxy-5-cholestenoate	Lipid	Sterol	54805	LC/MS Neg	100006370	5398	415.32177	6561-58-6	165511	C17333
3b-hydroxy-5-cholenoic acid	Lipid	Secondary Bile Acid Metabolism	43507	LC/MS Neg	100004182	5205	373.27482	5255-17-4	92997		HMDB00308
3-carboxy-4-methyl-5-pentyl-2-furanpropionate (3-CMPFP)**	Lipid	Fatty Acid, Dicarboxylate	61871	LC/MS Neg	100020004	4000	267.12379		194501
3-carboxy-4-methyl-5-propyl-2-furanpropanoate (CMPF)	Lipid	Fatty Acid, Dicarboxylate	31787	LC/MS Neg	100001178	2800	239.09249	86879-39-2	123979		HMDB61112
3-ethylcatechol sulfate (1)	Xenobiotics	Food Component/Plant	62796	LC/MS Neg	100020851	3422	217.01761
3-hydroxy-2-ethylpropionate	Amino Acid	Leucine, Isoleucine and Valine Metabolism	32397	LC/MS Neg	100001170	975	117.05571	4374-62-3	188979		HMDB00396
3-hydroxydecanoate	Lipid	Fatty Acid, Monohydroxy	22053	LC/MS Neg	100000997	4634.7	187.13396	5561-87-5	26612		HMDB02203
3-hydroxyhexanoate	Lipid	Fatty Acid, Monohydroxy	53230	LC/MS Neg	100006367	1725	131.07136	10191-24-9	151492
3-hydroxyhippurate	Xenobiotics	Benzoate Metabolism	39600	LC/MS Neg	100002122	1687	194.04588	1637-75-8	450268		HMDB06116
3-hydroxyhippurate sulfate	Xenobiotics	Benzoate Metabolism	62530	LC/MS Neg	100020410	1047	274.00269		186339
3-hydroxyindolin-2-one sulfate	Xenobiotics	Food Component/Plant	48419	LC/MS Neg	100006103	2082	227.99721
3-hydroxylaurate	Lipid	Fatty Acid, Monohydroxy	32457	LC/MS Neg	100001112	5175	215.16526	53941-38-1	94216		HMDB00387
3-hydroxymyristate	Lipid	Fatty Acid, Monohydroxy	21158	LC/MS Neg	100000882	5335	243.19656	3422-31-9	16064
3-hydroxyoctanoate	Lipid	Fatty Acid, Monohydroxy	22001	LC/MS Neg	100000773	3446	159.10266	88930-08-9	26613		HMDB01954
3-hydroxyoleate*	Lipid	Fatty Acid, Monohydroxy	61843	LC/MS Neg	100019966	5508	297.24351
3-hydroxypyridine sulfate	Xenobiotics	Chemical	48448	LC/MS Neg	100006098	1595.5	173.98665	1955-23-3
3-hydroxysebacate	Lipid	Fatty Acid, Monohydroxy	31943	LC/MS Neg	100001145	1282	217.10814	73141-46-5	3017884		HMDB00350
3-hydroxystearate	Lipid	Fatty Acid, Monohydroxy	52938	LC/MS Neg	100008933	5674	299.25917	45261-96-9	5282907
3-indoxyl sulfate	Amino Acid	Tryptophan Metabolism	27672	LC/MS Neg	100000467	2222.2	212.0023	2642-37-7	10258		HMDB00682
3-methoxycatechol sulfate (1)	Xenobiotics	Benzoate Metabolism	48763	LC/MS Neg	100006375	2163	218.99688
3-methoxycatechol sulfate (2)	Xenobiotics	Benzoate Metabolism	48752	LC/MS Neg	100006376	2200	218.99688
3-methoxytyramine sulfate	Amino Acid	Tyrosine Metabolism	44618	LC/MS Neg	100004634	1722	246.04416
3-methyl catechol sulfate (1)	Xenobiotics	Benzoate Metabolism	46165	LC/MS Neg	100004112	2790	203.00196
3-methyl-2-oxobutyrate	Amino Acid	Leucine, Isoleucine and Valine Metabolism	44526	LC/MS Neg	100000936	1465	115.04006	3715-29-5	49	C00141	HMDB00019
3-methyl-2-oxovalerate	Amino Acid	Leucine, Isoleucine and Valine Metabolism	15676	LC/MS Neg	100000036	2064.2	129.05572	1460-34-0;51829-07-3	47	C00671	HMDB03736
3-methylhistidine	Amino Acid	Histidine Metabolism	15677	LC/MS Neg	100000042	906.3	168.07785	368-16-1	64969	C01152	HMDB00479
3-methylxanthine	Xenobiotics	Xanthine Metabolism	32445	LC/MS Neg	100001108	1700	165.0418	1076-22-8	70639	C16357	HMDB01886
3-phenylpropionate (hydrocinnamate)	Xenobiotics	Benzoate Metabolism	15749	LC/MS Neg	100000010	2860	149.0608	501-52-0	107	C05629	HMDB00764
4-acetamidobutanoate	Amino Acid	Polyamine Metabolism	1558	LC/MS Neg	1113	894	144.06661	3025-96-5	18189	C02946	HMDB03681
4-acetamidophenylglucuronide	Xenobiotics	Drug - Analgesics, Anesthetics	15736	LC/MS Neg	100000043	1400	326.08814	120595-80-4	83944		HMDB10316
4-acetaminophen sulfate	Xenobiotics	Drug - Analgesics, Anesthetics	37475	LC/MS Neg	2049	1792	230.01287	10066-90-7;32113-41-0	83939	C06804	HMDB59911
4-acetylcatechol sulfate (1)	Xenobiotics	Food Component/Plant	62798	LC/MS Neg	100020853	1774	230.99688
4-acetylphenol sulfate	Xenobiotics	Benzoate Metabolism	44620	LC/MS Neg	100000711	2375	215.00196		4684006
4-allylphenol sulfate	Xenobiotics	Food Component/Plant	37181	LC/MS Neg	100001868	3805	213.0227
4-ethylphenylsulfate	Xenobiotics	Benzoate Metabolism	36099	LC/MS Neg	100001756	3580	201.0227	123-07-9		C13637
4-hydroxychlorothalonil	Xenobiotics	Chemical	48441	LC/MS Neg	100006082	4427	244.90817	28343-61-5	34217
4-hydroxycoumarin	Xenobiotics	Drug - Cardiovascular	37445	LC/MS Neg	100002049	2470	161.02441	1076-38-6	54682930	C20414
4-hydroxyhippurate	Xenobiotics	Benzoate Metabolism	35527	LC/MS Neg	100001423	1475	194.04588	2482-25-9	151012		HMDB13678
4-hydroxyphenylacetate	Amino Acid	Phenylalanine Metabolism	541	LC/MS Neg	144	1361	151.04007	156-38-7	127	C00642	HMDB00020
4-hydroxyphenylacetylglutamine	Peptide	Acetylated Peptides	55017	LC/MS Neg	100010850	1650	279.09864
4-hydroxyphenylpyruvate	Amino Acid	Tyrosine Metabolism	1669	LC/MS Neg	1141	1690	179.03498	156-39-8	979	C01179	HMDB00707
4-methoxyphenol sulfate	Amino Acid	Tyrosine Metabolism	48457	LC/MS Neg	100006262	2412	203.00196	3233-60-1
4-methyl-2-oxopentanoate	Amino Acid	Leucine, Isoleucine and Valine Metabolism	22116	LC/MS Neg	100000551	2170	129.05571	816-66-0	70	C00233	HMDB00695
4-methylcatechol sulfate	Xenobiotics	Benzoate Metabolism	46146	LC/MS Neg	100004111	2665	203.00196
4-methylguaiacol sulfate	Xenobiotics	Benzoate Metabolism	48418	LC/MS Neg	100006105	2978	217.01761	756760-43-7
4-methylhexanoylglutamine	Lipid	Fatty Acid Metabolism (Acyl Glutamine)	62735	LC/MS Neg	100020631	3390	257.15068
4-vinylphenol sulfate	Xenobiotics	Benzoate Metabolism	36098	LC/MS Neg	100001755	3320	199.00705	2628-17-3	6426766	C05627	HMDB62775
5,6-dihydrothymine	Nucleotide	Pyrimidine Metabolism, Thymine containing	1418	LC/MS Neg	158	1637.8	127.0513	696-04-8	93556	C00906	HMDB00079
5,6-dihydrouracil	Nucleotide	Pyrimidine Metabolism, Uracil containing	1559	LC/MS Neg	1125	1120	113.03565	504-07-4	649	C00429	HMDB00076
5,6-dihydrouridine	Nucleotide	Pyrimidine Metabolism, Uracil containing	61833	LC/MS Neg	100001425	1119	245.07791	5/4/27	94312
5alpha-androstan-3alpha,17alpha-diol monosulfate	Lipid	Androgenic Steroids	37183	LC/MS Neg	100002008	5208	371.18976
5alpha-androstan-3alpha,17beta-diol 17-glucuronide	Lipid	Androgenic Steroids	47132	LC/MS Neg	100005396	4930	467.26504
5alpha-androstan-3alpha,17beta-diol disulfate	Lipid	Androgenic Steroids	37184	LC/MS Neg	100002017	4275	225.06965
5alpha-androstan-3alpha,17beta-diol monosulfate (1)	Lipid	Androgenic Steroids	37186	LC/MS Neg	100002018	4925	371.18976
5alpha-androstan-3alpha,17beta-diol monosulfate (2)	Lipid	Androgenic Steroids	37185	LC/MS Neg	100006005	5080	371.18976
5alpha-androstan-3beta,17alpha-diol disulfate	Lipid	Androgenic Steroids	37187	LC/MS Neg	100002021	4215	225.06965
5alpha-androstan-3beta,17beta-diol disulfate	Lipid	Androgenic Steroids	37190	LC/MS Neg	100001987	3880	225.06965	571-20-0	242332	C12525	HMDB00493
5alpha-androstan-3beta,17beta-diol monosulfate (2)	Lipid	Androgenic Steroids	37192	LC/MS Neg	100002024	4685	371.18976
5alpha-pregnan-3beta,20alpha-diol disulfate	Lipid	Progestin Steroids	37198	LC/MS Neg	100001988	3962	239.0853
5alpha-pregnan-3beta,20alpha-diol monosulfate (2)	Lipid	Progestin Steroids	37200	LC/MS Neg	100002014	5060	399.22106
5alpha-pregnan-3beta,20beta-diol monosulfate (1)	Lipid	Progestin Steroids	37196	LC/MS Neg	100002009	5180	399.22106
5alpha-pregnan-diol disulfate	Lipid	Progestin Steroids	46172	LC/MS Neg	100002015	4310	239.0853		5127902
5-dodecenoate (12:1n7)	Lipid	Medium Chain Fatty Acid	33968	LC/MS Neg	100001232	5224	197.1547	2430-94-6	5312378		HMDB00529
5-hydroxyhexanoate	Lipid	Fatty Acid, Monohydroxy	31938	LC/MS Neg	100001148	1267	131.07136	44843-89-2	170748		HMDB00525
5-hydroxyindole sulfate	Amino Acid	Tryptophan Metabolism	52914	LC/MS Neg	100009042	1928	212.0023
5-methyluridine (ribothymidine)	Nucleotide	Pyrimidine Metabolism, Uracil containing	35136	LC/MS Neg	100001446	1778.1	257.07791	1463-10-1	445408		HMDB00884
5-oxoproline	Amino Acid	Glutathione Metabolism	1494	LC/MS Neg	1021	738.5	128.03531	98-79-3	7405	C01879	HMDB00267
6-bromotryptophan	Amino Acid	Tryptophan Metabolism	62503	LC/MS Neg	100020414	3565	280.99311
6-hydroxyindole sulfate	Xenobiotics	Chemical	48698	LC/MS Neg	100006260	2498	212.0023
6-oxopiperidine-2-carboxylate	Amino Acid	Lysine Metabolism	43231	LC/MS Neg	100004499	965	142.05096	34622-39-4	3014237		HMDB61705
7-alpha-hydroxy-3-oxo-4-cholestenoate (7-Hoca)	Lipid	Sterol	36776	LC/MS Neg	100001609	5288.1	429.30103	115538-85-7	3081085	C17337	HMDB12458
7-methylurate	Xenobiotics	Xanthine Metabolism	39598	LC/MS Neg	100002241	1138	181.03671	612-37-3	69160	C16355	HMDB11107
9,10-DiHOME	Lipid	Fatty Acid, Dihydroxy	38399	LC/MS Neg	179	5180	313.23843	263399-34-4	9966640	C14828	HMDB04704
9-hydroxystearate	Lipid	Fatty Acid, Monohydroxy	47120	LC/MS Neg	100005834	5384	299.25917	25498-28-6	9570127		HMDB61661
acisoga	Amino Acid	Polyamine Metabolism	43258	LC/MS Neg	100004541	2297	183.1139	106692-36-8	129397
aconitate [cis or trans]	Energy	TCA Cycle	46173	LC/MS Neg	100001359	580	173.00916
adrenate (22:4n6)	Lipid	Polyunsaturated Fatty Acid (n3 and n6)	32980	LC/MS Neg	100001193	5678	331.26425	2091-25-0	5497181	C16527	HMDB02226
alpha-CEHC sulfate	Cofactors and Vitamins	Tocopherol Metabolism	47666	LC/MS Neg	100005972	3090	357.10134
alpha-hydroxyisocaproate	Amino Acid	Leucine, Isoleucine and Valine Metabolism	22132	LC/MS Neg	100000706	1840	131.07136	10303-64-7	83697	C03264	HMDB00746
andro steroid monosulfate C19H28O6S (1)*	Lipid	Androgenic Steroids	32827	LC/MS Neg	100002152	3871	383.1534			C04555	HMDB02759
androstenediol (3alpha, 17alpha) monosulfate (2)	Lipid	Androgenic Steroids	37207	LC/MS Neg	100002026	4712	369.17411
androstenediol (3alpha, 17alpha) monosulfate (3)	Lipid	Androgenic Steroids	37209	LC/MS Neg	100002027	5180	369.17411
androstenediol (3beta,17beta) disulfate (1)	Lipid	Androgenic Steroids	37202	LC/MS Neg	100001992	3740	224.06182		87120982	C04295	HMDB03818
androstenediol (3beta,17beta) disulfate (2)	Lipid	Androgenic Steroids	37203	LC/MS Neg	100001994	4065	224.0624		87120982	C04295	HMDB03818
androstenediol (3beta,17beta) monosulfate (1)	Lipid	Androgenic Steroids	37211	LC/MS Neg	100002028	4535	369.17411	521-17-5	13847309		HMDB03818
androstenediol (3beta,17beta) monosulfate (2)	Lipid	Androgenic Steroids	37210	LC/MS Neg	100002029	4500	369.17411
androsterone glucuronide	Lipid	Androgenic Steroids	61846	LC/MS Neg	100002761	4953	465.24939	1852-43-3	114833	C11135	HMDB02829
androsterone sulfate	Lipid	Androgenic Steroids	31591	LC/MS Neg	100001073	5022	369.17411	2479-86-9	159663		HMDB02759
arachidate (20:0)	Lipid	Long Chain Fatty Acid	1118	LC/MS Neg	893	6240	311.29555	506-30-9	10467	C06425	HMDB02212
arachidonate (20:4n6)	Lipid	Polyunsaturated Fatty Acid (n3 and n6)	1110	LC/MS Neg	229	5535	303.23295	506-32-1	444899	C00219	HMDB01043
behenate (22:0)*	Lipid	Long Chain Fatty Acid	12125	LC/MS Neg	314	6745	339.32685	112-85-6	8215	C08281	HMDB00944
benzoate	Xenobiotics	Benzoate Metabolism	15778	LC/MS Neg	100000008	1750	121.0295	65-85-0	243	C00180	HMDB01870
beta-citrylglutamate	Amino Acid	Glutamate Metabolism	54923	LC/MS Neg	100003271	530	320.06232	73590-26-8	72715786	C20775
beta-hydroxyisovalerate	Amino Acid	Leucine, Isoleucine and Valine Metabolism	12129	LC/MS Neg	1442	1027	117.05572	625-08-1	69362		HMDB00754
biliverdin	Cofactors and Vitamins	Hemoglobin and Porphyrin Metabolism	2137	LC/MS Neg	250	4695.6	581.24056	55482-27-4;55482-27-4	5353439	C00500	HMDB01008
caprate (10:0)	Lipid	Medium Chain Fatty Acid	1642	LC/MS Neg	888	5090.7	171.13905	334-48-5	2969	C01571	HMDB00511
caproate (6:0)	Lipid	Medium Chain Fatty Acid	32489	LC/MS Neg	926	2713.7	115.07645	142-62-1	8892	C01585	HMDB00535
caprylate (8:0)	Lipid	Medium Chain Fatty Acid	32492	LC/MS Neg	932	4362	143.10775	124-07-2	379	C06423	HMDB00482
catechol sulfate	Xenobiotics	Benzoate Metabolism	35320	LC/MS Neg	100001605	1906	188.98631	4918-96-1	3083879		HMDB59724
C-glycosyltryptophan	Amino Acid	Tryptophan Metabolism	48782	LC/MS Neg	100006379	1777	365.13542	180509-18-6	10981970
chenodeoxycholate	Lipid	Primary Bile Acid Metabolism	1563	LC/MS Neg	1123	5264	391.28538	474-24-9;474-25-9	10133	C02528	HMDB00518
cholate	Lipid	Primary Bile Acid Metabolism	22842	LC/MS Neg	136	5165	407.28029	81-25-4	221493	C00695	HMDB00619
cholic acid glucuronide	Lipid	Primary Bile Acid Metabolism	62571	LC/MS Neg	100020549	4512	583.31238
cinnamoylglycine	Xenobiotics	Food Component/Plant	38637	LC/MS Neg	100002253	3127	204.06661	16534-24-0	709625		HMDB11621
citalopram propionate*	Xenobiotics	Drug - Psychoactive	62479	LC/MS Neg	100020793	4400	310.08849		10403174	C16610	HMDB60463
citrate	Energy	TCA Cycle	1564	LC/MS Neg	1124	582	191.01973	77-92-9	311	C00158	HMDB00094
corticosterone	Lipid	Corticosteroids	5983	LC/MS Neg	272	5040	345.20713	50-22-6	5753	C02140	HMDB01547
cortisol	Lipid	Corticosteroids	1712	LC/MS Neg	356	4710	361.20204	50-23-7	5754	C00735	HMDB00063
cortisone	Lipid	Corticosteroids	1769	LC/MS Neg	273	4575	359.18639	53-06-5	222786	C00762	HMDB02802
dehydroisoandrosterone sulfate (DHEA-S)	Lipid	Androgenic Steroids	32425	LC/MS Neg	100000792	4745	367.15846	651-48-9	12594	C04555	HMDB01032
delta-CEHC*	Cofactors and Vitamins	Tocopherol Metabolism	62287	LC/MS Neg	100020416	3422	249.11323	84599-16-6	11536125
deoxycholate	Lipid	Secondary Bile Acid Metabolism	1114	LC/MS Neg	302	5294	391.28538	83-44-3	222528	C04483	HMDB00626
desmethylnaproxen	Xenobiotics	Drug - Analgesics, Anesthetics	46331	LC/MS Neg	100001787	3045	215.07136	52079-10-4	13393711		HMDB13989
desmethylnaproxen sulfate	Xenobiotics	Drug - Analgesics, Anesthetics	46106	LC/MS Neg	100001788	2250	295.02818		184679
dihomo-linoleate (20:2n6)	Lipid	Polyunsaturated Fatty Acid (n3 and n6)	17805	LC/MS Neg	1231	5730	307.26425	2091-39-6	6439848	C16525	HMDB05060
dihomo-linolenate (20:3n3 or n6)	Lipid	Polyunsaturated Fatty Acid (n3 and n6)	35718	LC/MS Neg	100001739	5596	305.2486	17046-59-2	5280581	C03242	HMDB02925
docosadienoate (22:2n6)	Lipid	Polyunsaturated Fatty Acid (n3 and n6)	32415	LC/MS Neg	100001182	6034	335.29555	7370-49-2	5282807	C16533	HMDB61714
docosadioate (C22-DC)	Lipid	Fatty Acid, Dicarboxylate	39837	LC/MS Neg	100002952	5291.8	369.30103	505-56-6	244872	C19625
docosahexaenoate (DHA; 22:6n3)	Lipid	Polyunsaturated Fatty Acid (n3 and n6)	44675	LC/MS Neg	100000665	5525	327.23295	6217-54-5	445580	C06429	HMDB02183
docosapentaenoate (n3 DPA; 22:5n3)	Lipid	Polyunsaturated Fatty Acid (n3 and n6)	32504	LC/MS Neg	100001181	5571	329.2486	2234-74-4	6441454	C16513	HMDB06528
docosapentaenoate (n6 DPA; 22:5n6)	Lipid	Polyunsaturated Fatty Acid (n3 and n6)	37478	LC/MS Neg	100001580	5624.5	329.2486	25182-74-5	6441454	C16513	HMDB01976
docosatrienoate (22:3n3)	Lipid	Polyunsaturated Fatty Acid (n3 and n6)	32417	LC/MS Neg	100001195	5823	333.2799	59708-86-0	5312556	C16534	HMDB02823
docosatrienoate (22:3n6)*	Lipid	Polyunsaturated Fatty Acid (n3 and n6)	57467	LC/MS Neg	100015762	5850	333.27989
dodecadienoate (12:2)*	Lipid	Fatty Acid, Dicarboxylate	62276	LC/MS Neg	100020478	5146	195.13905
dodecanedioate (C12-DC)	Lipid	Fatty Acid, Dicarboxylate	32388	LC/MS Neg	100001102	2990	229.14453	693-23-2	12736	C02678	HMDB00623
dopamine 3-O-sulfate	Amino Acid	Tyrosine Metabolism	48407	LC/MS Neg	100006361	1556.2	232.02845		122136	C13690	HMDB06275
EDTA	Xenobiotics	Chemical	22163	LC/MS Neg	100001002	643	291.08339	60-00-4	6049	C00284	HMDB15109
eicosanodioate (C20-DC)	Lipid	Fatty Acid, Dicarboxylate	39831	LC/MS Neg	100002951	5200.9	341.26973	2424-92-2	75502
eicosapentaenoate (EPA; 20:5n3)	Lipid	Polyunsaturated Fatty Acid (n3 and n6)	18467	LC/MS Neg	2050	5450	301.2173	10-2005-9;10417-94-4	446284	C06428	HMDB01999
eicosenoate (20:1)	Lipid	Long Chain Fatty Acid	33587	LC/MS Neg	100001335	5950	309.2799		5282768	C16526	HMDB02231
epiandrosterone sulfate	Lipid	Androgenic Steroids	33973	LC/MS Neg	100001287	4855	369.17411	22229-22-7	9929317
erucate (22:1n9)	Lipid	Long Chain Fatty Acid	1552	LC/MS Neg	1087	6355.6	337.3112	112-86-7	5281116	C08316	HMDB02068
etiocholanolone glucuronide	Lipid	Androgenic Steroids	47112	LC/MS Neg	100005403	4915	465.24939	9/3/02	270605		HMDB04484
eugenol sulfate	Xenobiotics	Food Component/Plant	48715	LC/MS Neg	100006171	3782	243.03326	95480-60-7	180632
flavin adenine dinucleotide (FAD)	Cofactors and Vitamins	Riboflavin Metabolism	2134	LC/MS Neg	327	2425	784.14985	146-14-5;84366-81-4	643975	C00016	HMDB01248
gamma-CEHC	Cofactors and Vitamins	Tocopherol Metabolism	44876	LC/MS Neg	100002094	3843	263.12888	178167-75-4	133098		HMDB01931
gamma-CEHC glucuronide*	Cofactors and Vitamins	Tocopherol Metabolism	42381	LC/MS Neg	100004243	2500	439.16097
glucuronide of C10H18O2 (7)*	Partially Characterized Molecules	Partially Characterized Molecules	61887	LC/MS Neg	100020014	3790	345.1555
glucuronide of piperine metabolite C17H21NO3 (3)*	Xenobiotics	Food Component/Plant	62290	LC/MS Neg	100020491	3951	462.17696
glucuronide of piperine metabolite C17H21NO3 (4)*	Xenobiotics	Food Component/Plant	62291	LC/MS Neg	100020492	3992	462.17696
glucuronide of piperine metabolite C17H21NO3 (5)*	Xenobiotics	Food Component/Plant	62292	LC/MS Neg	100020493	4039	462.17696
glycerol	Lipid	Glycerolipid Metabolism	15122	LC/MS Neg	1254	758	91.04007	56-81-5	753	C00116	HMDB00131
glycine conjugate of C10H12O2*	Partially Characterized Molecules	Partially Characterized Molecules	62145	LC/MS Neg	100020253	4005	220.09791
glycine conjugate of C10H14O2 (1)*	Partially Characterized Molecules	Partially Characterized Molecules	62146	LC/MS Neg	100020254	4335	222.11356
glyco-beta-muricholate**	Lipid	Primary Bile Acid Metabolism	62066	LC/MS Neg	100020214	4762	464.30176
glycochenodeoxycholate	Lipid	Primary Bile Acid Metabolism	32346	LC/MS Neg	1628	5236.1	448.30684	16564-43-5	12544	C05466	HMDB00637
glycochenodeoxycholate glucuronide (1)	Lipid	Primary Bile Acid Metabolism	52983	LC/MS Neg	100009264	4806	311.66583
glycochenodeoxycholate sulfate	Lipid	Primary Bile Acid Metabolism	52974	LC/MS Neg	100006641	4820	263.62819
glycocholate	Lipid	Primary Bile Acid Metabolism	18476	LC/MS Neg	342	5163	464.30176	475-31-0;863-57-0	10140	C01921	HMDB00138
glycocholenate sulfate*	Lipid	Secondary Bile Acid Metabolism	32599	LC/MS Neg	100001989	4750	254.62291
glycodeoxycholate	Lipid	Secondary Bile Acid Metabolism	18477	LC/MS Neg	100000436	5281	448.30684	360-65-6	3035026	C05464	HMDB00631
glycodeoxycholate sulfate	Lipid	Secondary Bile Acid Metabolism	52975	LC/MS Neg	100006642	4875	263.62819
glycohyocholate	Lipid	Secondary Bile Acid Metabolism	42574	LC/MS Neg	100004083	5020	464.30176
glycolithocholate sulfate*	Lipid	Secondary Bile Acid Metabolism	32620	LC/MS Neg	100001657	5011	255.63073	15324-64-8	72222	C11301	HMDB02639
glycoursodeoxycholate	Lipid	Secondary Bile Acid Metabolism	39379	LC/MS Neg	100002911	5033	448.30684	64480-66-6	12310288		HMDB00708
guaiacol sulfate	Xenobiotics	Benzoate Metabolism	46111	LC/MS Neg	100004208	2344	203.00196		22473		HMDB60013
hexadecadienoate (16:2n6)	Lipid	Polyunsaturated Fatty Acid (n3 and n6)	57652	LC/MS Neg	100009394	5398	251.20165	28290-73-5			HMDB00477
hexadecanedioate (C16-DC)	Lipid	Fatty Acid, Dicarboxylate	35678	LC/MS Neg	100001614	4615	285.20713	505-54-4	10459	C19615	HMDB00672
hexadecenedioate (C16:1-DC)*	Lipid	Fatty Acid, Dicarboxylate	61862	LC/MS Neg	100019975	4380	283.19148
hexanoylglutamine	Lipid	Fatty Acid Metabolism (Acyl Glutamine)	54907	LC/MS Neg	100001733	2780	243.13503
hexanoylglycine	Lipid	Fatty Acid Metabolism(Acyl Glycine)	35436	LC/MS Neg	100001527	2900	172.09791	24003-67-6	99463		HMDB00701
hippurate	Xenobiotics	Benzoate Metabolism	15753	LC/MS Neg	100000014	2106.9	178.05096	495-69-2	464	C01586	HMDB00714
homovanillate (HVA)	Amino Acid	Tyrosine Metabolism	1101	LC/MS Neg	117	1649	181.05063	306-08-1	1738	C05582	HMDB00118
hydrochlorothiazide	Xenobiotics	Drug - Cardiovascular	39625	LC/MS Neg	100002734	2046	295.95719	58-93-5	3639	C07041	HMDB01928
hydroquinone sulfate	Xenobiotics	Drug - Topical Agents	35322	LC/MS Neg	100001604	1395	188.98631	123-31-9	161220	C00530	HMDB02434
hydroxybupropion	Xenobiotics	Drug - Psychoactive	32882	LC/MS Neg	100001309	5084	254.09533		446		HMDB12235
hydroxy-CMPF*	Lipid	Fatty Acid, Dicarboxylate	62277	LC/MS Neg	100019794	1516	255.08741
hyocholate	Lipid	Secondary Bile Acid Metabolism	34093	LC/MS Neg	100001279	5046	407.28029	547-75-1	92805	C17649	HMDB00760
hypoxanthine	Nucleotide	Purine Metabolism, (Hypo)Xanthine/Inosine containing	3127	LC/MS Neg	171	1291.2	135.03123	68-94-0	790	C00262	HMDB00157
ibuprofen	Xenobiotics	Drug - Analgesics, Anesthetics	17799	LC/MS Neg	1487	4925	205.1234	15687-27-1	3672	D00126	HMDB01925
ibuprofen acyl glucuronide	Xenobiotics	Drug - Analgesics, Anesthetics	38366	LC/MS Neg	100002406	4976	381.15549	115075-59-7	163959
indole-3-carboxylate	Amino Acid	Tryptophan Metabolism	38116	LC/MS Neg	100002185	1710	160.0404	771-50-6	69867	C19837	HMDB03320
indoleacetate	Amino Acid	Tryptophan Metabolism	27513	LC/MS Neg	100001034	2200	174.05605	6505-45-9	802	C00954	HMDB00197
indolelactate	Amino Acid	Tryptophan Metabolism	18349	LC/MS Neg	100000463	2286	204.06661	832-97-3	92904	C02043	HMDB00671
indolepropionate	Amino Acid	Tryptophan Metabolism	32405	LC/MS Neg	100001083	2795	188.0717	830-96-6	3744		HMDB02302
inosine	Nucleotide	Purine Metabolism, (Hypo)Xanthine/Inosine containing	1123	LC/MS Neg	361	1602.1	267.07349	58-63-9	6021	C00294	HMDB00195
isobutyrylglycine	Amino Acid	Leucine, Isoleucine and Valine Metabolism	35437	LC/MS Neg	100001590	1420	144.06661	15926-18-8	10855600		HMDB00730
isoleucylglycine	Peptide	Dipeptide	40008	LC/MS Neg	100003169	1992	187.10881	868-28-0	342532		HMDB28907
isoursodeoxycholate	Lipid	Secondary Bile Acid Metabolism	57577	LC/MS Neg	100002488	4809	391.28538	78919-26-3	127601	C17662	HMDB00686
isovalerate (i5:0)	Amino Acid	Leucine, Isoleucine and Valine Metabolism	44656	LC/MS Neg	100000708	1564	101.0608	503-74-2	10430	C08262	HMDB00718
isovalerylglycine	Amino Acid	Leucine, Isoleucine and Valine Metabolism	35107	LC/MS Neg	100001452	1950	158.08226	16284-60-9	546304		HMDB00678
kynurenate	Amino Acid	Tryptophan Metabolism	1417	LC/MS Neg	98	2224	188.03531	492-27-3	3845	C01717	HMDB00715
laurate (12:0)	Lipid	Medium Chain Fatty Acid	1645	LC/MS Neg	181	5300	199.17035	143-07-7	3893	C02679	HMDB00638
linoleate (18:2n6)	Lipid	Polyunsaturated Fatty Acid (n3 and n6)	1105	LC/MS Neg	180	5535	279.23295	60-33-3	5280450	C01595	HMDB00673
linolenate [alpha or gamma; (18:3n3 or 6)]	Lipid	Polyunsaturated Fatty Acid (n3 and n6)	34035	LC/MS Neg	100001337	5450	277.2173		5280934	C06426	HMDB03073
lithocholate sulfate (1)	Lipid	Secondary Bile Acid Metabolism	62526	LC/MS Neg	100020823	4811	227.12
lithocholic acid sulfate (2)	Lipid	Secondary Bile Acid Metabolism	62527	LC/MS Neg	100020824	5028	227.12
malate	Energy	TCA Cycle	1303	LC/MS Neg	409	615.6	133.01425	6915-15-7	525	C00149	HMDB00156
maltotriose	Carbohydrate	Glycogen Metabolism	44688	LC/MS Neg	100000276	812	503.16175	1109-28-0	439586	C01835	HMDB01262
margarate (17:0)	Lipid	Long Chain Fatty Acid	1121	LC/MS Neg	891	5731	269.2486	506-12-7	10465		HMDB02259
methyl glucopyranoside (alpha + beta)	Xenobiotics	Food Component/Plant	46144	LC/MS Neg	100005864	1070	193.0718
methyl-4-hydroxybenzoate sulfate	Xenobiotics	Benzoate Metabolism	48429	LC/MS Neg	100006116	2873	230.99688
myristate (14:0)	Lipid	Long Chain Fatty Acid	1365	LC/MS Neg	519	5440	227.20165	544-63-8	11005	C06424	HMDB00806
myristoleate (14:1n5)	Lipid	Long Chain Fatty Acid	32418	LC/MS Neg	100001198	5346.9	225.186	544-64-9	5281119	C08322	HMDB02000
N1-Methyl-2-pyridone-5-carboxamide	Cofactors and Vitamins	Nicotinate and Nicotinamide Metabolism	40469	LC/MS Neg	100001468	1668	151.0513	701-44-0	69698	C05842	HMDB04193
N2,N5-diacetylornithine	Amino Acid	Urea cycle; Arginine and Proline Metabolism	43591	LC/MS Neg	100004575	1367	215.10373	39825-23-5	10398396
N4-acetylcytidine	Nucleotide	Pyrimidine Metabolism, Cytidine containing	35130	LC/MS Neg	100001413	2040	284.08881	3768-18-1	107461		HMDB05923
N6-acetyllysine	Amino Acid	Lysine Metabolism	36752	LC/MS Neg	100001734	1059	187.10881	692-04-6	92832	C02727	HMDB00206
N6-carbamoylthreonyladenosine	Nucleotide	Purine Metabolism, Adenine containing	35157	LC/MS Neg	100001415	2164	411.12698	24719-82-2	161466		HMDB41623
N6-succinyladenosine	Nucleotide	Purine Metabolism, Adenine containing	48130	LC/MS Neg	100001664	940	382.10043	4542-23-8	165243		HMDB00912
N-acetyl-2-aminooctanoate*	Lipid	Fatty Acid, Amino	62059	LC/MS Neg	100020204	3943	200.12921		95555		HMDB59745
N-acetylaspartate (NAA)	Amino Acid	Alanine and Aspartate Metabolism	22185	LC/MS Neg	100000787	620.5	174.04079	997-55-7;997-55-7	65065	C01042	HMDB00812
N-acetyl-beta-alanine	Nucleotide	Pyrimidine Metabolism, Uracil containing	37432	LC/MS Neg	100002102	773	130.05096	3025-95-4	76406	C01073
N-acetylcitrulline	Amino Acid	Urea cycle; Arginine and Proline Metabolism	48434	LC/MS Neg	100001577	940	216.09898	33965-42-3	656979	C15532	HMDB00856
N-acetylhistidine	Amino Acid	Histidine Metabolism	33946	LC/MS Neg	100001293	900	196.07276	39145-52-3	75619	C02997	HMDB32055
N-acetylisoleucine	Amino Acid	Leucine, Isoleucine and Valine Metabolism	33967	LC/MS Neg	100001276	2325	172.09791	3077-46-1	2802421		HMDB61684
N-acetylkynurenine (2)	Amino Acid	Tryptophan Metabolism	48757	LC/MS Neg	100006378	2378	249.08808
N-acetylleucine	Amino Acid	Leucine, Isoleucine and Valine Metabolism	1587	LC/MS Neg	1082	2400	172.09791	1188-21-2	70912	C02710	HMDB11756
N-acetylmethionine	Amino Acid	Methionine, Cysteine, SAM and Taurine Metabolism	1589	LC/MS Neg	1083	1787	190.05434	65-82-7	448580	C02712	HMDB11745
N-acetylphenylalanine	Amino Acid	Phenylalanine Metabolism	33950	LC/MS Neg	100001256	2597	206.08226	2018-61-3	74839	C03519	HMDB00512
N-acetyltaurine	Amino Acid	Methionine, Cysteine, SAM and Taurine Metabolism	48187	LC/MS Neg	100005466	800	166.01795		159864
N-acetyltryptophan	Amino Acid	Tryptophan Metabolism	33959	LC/MS Neg	100001254	2630	245.09316	1218-34-4	700653	C03137	HMDB13713
N-acetyltyrosine	Amino Acid	Tyrosine Metabolism	32390	LC/MS Neg	100001104	1680	222.07718	537-55-3	68310		HMDB00866
N-acetylvaline	Amino Acid	Leucine, Isoleucine and Valine Metabolism	1591	LC/MS Neg	1084	1704	158.08226	96-81-1	66789		HMDB11757
naproxen	Xenobiotics	Drug - Analgesics, Anesthetics	12122	LC/MS Neg	1384	4155	229.08702	22204-53-1	156391	C01517	HMDB01923
N-delta-acetylornithine	Amino Acid	Urea cycle; Arginine and Proline Metabolism	43249	LC/MS Neg	100004523	858	173.09316		9920500
nervonate (24:1n9)*	Lipid	Long Chain Fatty Acid	52674	LC/MS Neg	100001231	6804	365.3425	506-37-6	5281120	C08323	HMDB02368
N-formylmethionine	Amino Acid	Methionine, Cysteine, SAM and Taurine Metabolism	2829	LC/MS Neg	194	1543.8	176.03869	4289-98-9	439750	C03145	HMDB01015
nisinate (24:6n3)	Lipid	Polyunsaturated Fatty Acid (n3 and n6)	57810	LC/MS Neg	100015785	5657	355.26425	68378-49-4	11792612		HMDB02007
N-oleoylserine	Lipid	Endocannabinoid	57664	LC/MS Neg	100015641	5600	368.28063
N-oleoyltaurine	Lipid	Endocannabinoid	39732	LC/MS Neg	100003119	5610	388.2527	52514-04-2	6437033
nonadecanoate (19:0)	Lipid	Long Chain Fatty Acid	1356	LC/MS Neg	892	6068	297.2799	646-30-0	12591	C16535	HMDB00772
N-palmitoylglycine	Lipid	Fatty Acid Metabolism(Acyl Glycine)	42092	LC/MS Neg	100003686	5580	312.25441	2441-41-0	151008		HMDB13034
N-palmitoyltaurine	Lipid	Endocannabinoid	39835	LC/MS Neg	100003239	5560	362.23705	83982-06-3
N-stearoyltaurine	Lipid	Endocannabinoid	39730	LC/MS Neg	100003240	5782	390.26835	63155-80-6	168274
o-cresol sulfate	Xenobiotics	Benzoate Metabolism	36845	LC/MS Neg	100001806	2796	187.00705		11615528
octadecadienedioate (C18:2-DC)*	Lipid	Fatty Acid, Dicarboxylate	61860	LC/MS Neg	100019982	4676	309.20714
octadecanedioate (C18-DC)	Lipid	Fatty Acid, Dicarboxylate	36754	LC/MS Neg	100001615	5043	313.23843	871-70-5	70095		HMDB00782
octadecenedioate (C18:1-DC)*	Lipid	Fatty Acid, Dicarboxylate	61861	LC/MS Neg	100019978	4875	311.22279
oleate/vaccenate (18:1)	Lipid	Long Chain Fatty Acid	52285	LC/MS Neg	100008930	5655	281.2486
oleoyl ethanolamide	Lipid	Endocannabinoid	38102	LC/MS Neg	1137	6450	324.2908	11-58-0;111-58-0	5283454		HMDB02088
O-sulfo-L-tyrosine	Xenobiotics	Chemical	45413	LC/MS Neg	100005384	990	260.02343		514186
oxalate (ethanedioate)	Cofactors and Vitamins	Ascorbate and Aldarate Metabolism	20694	LC/MS Neg	100000841	603	88.98803	144-62-7	971	C00209	HMDB02329
palmitate (16:0)	Lipid	Long Chain Fatty Acid	1336	LC/MS Neg	424	5618	255.23295	57-10-3	985	C00249	HMDB00220
palmitoleate (16:1n7)	Lipid	Long Chain Fatty Acid	33447	LC/MS Neg	452	5475	253.2173	373-49-9	445638	C08362	HMDB03229
palmitoyl ethanolamide	Lipid	Endocannabinoid	38165	LC/MS Neg	1489	6300	298.27515	544-31-0	4671	C16512	HMDB02100
pantothenate	Cofactors and Vitamins	Pantothenate and CoA Metabolism	1508	LC/MS Neg	1024	1498.7	218.10339	137-08-6	6613	C00864	HMDB00210
paraxanthine	Xenobiotics	Xanthine Metabolism	18254	LC/MS Neg	100000453	2279	179.05745	611-59-6	4687	C13747	HMDB01860
p-cresol glucuronide*	Amino Acid	Tyrosine Metabolism	48841	LC/MS Neg	100006191	2420	283.08232	17680-99-8	154035		HMDB11686
p-cresol sulfate	Xenobiotics	Benzoate Metabolism	36103	LC/MS Neg	100001315	2890	187.00705	3233-57-7	4615423		HMDB11635
pentadecanoate (15:0)	Lipid	Long Chain Fatty Acid	1361	LC/MS Neg	980	5521	241.2173	1002-84-2;10002-84-2	13849	C16537	HMDB00826
perfluorooctanoate (PFOA)*	Xenobiotics	Chemical	62071	LC/MS Neg	100020208	5130	412.96642		9554		HMDB59587
phenol sulfate	Amino Acid	Tyrosine Metabolism	32553	LC/MS Neg	100001510	2156	172.9914	937-34-8	74426	C02180	HMDB60015
phenylacetate	Amino Acid	Phenylalanine Metabolism	57745	LC/MS Neg	100000011	2150	91.05535	103-82-2	999	C07086	HMDB00209
phenylacetylglutamate	Peptide	Acetylated Peptides	52925	LC/MS Neg	100009045	1630	264.08774		11579826		HMDB59772
phenylacetylglutamine	Peptide	Acetylated Peptides	35126	LC/MS Neg	100001417	2330	263.10373	28047-15-6	92258	C04148	HMDB06344
phenyllactate (PLA)	Amino Acid	Phenylalanine Metabolism	22130	LC/MS Neg	100000774	2208	165.05571	828-01-3	3848	C05607	HMDB00779
phenylpyruvate	Amino Acid	Phenylalanine Metabolism	566	LC/MS Neg	241	2515	163.04007	156-06-9	997	C00166	HMDB00205
phytanate	Xenobiotics	Food Component/Plant	598	LC/MS Neg	466	5908	311.29555	14721-66-5	26840	C01607	HMDB00801
pregnanediol-3-glucuronide	Lipid	Progestin Steroids	40708	LC/MS Neg	100003470	5145	495.29634	1852-49-9	123796		HMDB10318
pregnenediol disulfate (C21H34O8S2)*	Lipid	Pregnenolone Steroids	32562	LC/MS Neg	100001993	3868	238.07747
pregnenediol sulfate (C21H34O5S)*	Lipid	Pregnenolone Steroids	32619	LC/MS Neg	100002067	5000	397.20541	1247-64-9
pregnenolone sulfate	Lipid	Pregnenolone Steroids	38170	LC/MS Neg	100002129	5100	395.18976	1247-64-9	105074		HMDB00774
pristanate	Lipid	Fatty Acid, Branched	38271	LC/MS Neg	477	5773	297.2799	1189-37-3	123929		HMDB00795
propionylglycine	Lipid	Fatty Acid Metabolism (also BCAA Metabolism)	31932	LC/MS Neg	100001150	960	130.05096	21709-90-0	98681		HMDB00783
propyl 4-hydroxybenzoate sulfate	Xenobiotics	Benzoate Metabolism	48460	LC/MS Neg	100006264	3971	259.02818	162338-10-5
pseudouridine	Nucleotide	Pyrimidine Metabolism, Uracil containing	33442	LC/MS Neg	821	1100	243.06226	1445-07-4	15047	C02067	HMDB00767
pyridoxate	Cofactors and Vitamins	Vitamin B6 Metabolism	31555	LC/MS Neg	100001121	2185	182.04588	82-82-6	6723	C00847	HMDB00017
saccharin	Xenobiotics	Food Component/Plant	21151	LC/MS Neg	100000870	2000	181.99173	81-07-2	5143	D01085	HMDB29723
S-adenosylhomocysteine (SAH)	Amino Acid	Methionine, Cysteine, SAM and Taurine Metabolism	42382	LC/MS Neg	197	1832.4	383.11431	979-92-0	439155	C00021	HMDB00939
salicyluric glucuronide*	Xenobiotics	Drug - Analgesics, Anesthetics	33384	LC/MS Neg	100001332	1463	370.07797
sebacate (C10-DC)	Lipid	Fatty Acid, Dicarboxylate	32398	LC/MS Neg	100001211	1788	201.11323	111-20-6	5192	C08277	HMDB00792
S-methylcysteine	Amino Acid	Methionine, Cysteine, SAM and Taurine Metabolism	39592	LC/MS Neg	100002749	880	134.02812	1187-84-4	24417		HMDB02108
stearate (18:0)	Lipid	Long Chain Fatty Acid	1358	LC/MS Neg	439	5872	283.26425	57-11-4	5281	C01530	HMDB00827
stearidonate (18:4n3)	Lipid	Polyunsaturated Fatty Acid (n3 and n6)	33969	LC/MS Neg	100001229	5395	275.20165	111174-40-4	5312508	C16300	HMDB06547
sulfate of piperine metabolite C16H19NO3 (2)*	Xenobiotics	Food Component/Plant	62295	LC/MS Neg	100020496	4112	352.08601
sulfate of piperine metabolite C16H19NO3 (3)*	Xenobiotics	Food Component/Plant	62296	LC/MS Neg	100020497	4200	352.08601
sulfate of piperine metabolite C18H21NO3 (1)*	Xenobiotics	Food Component/Plant	62297	LC/MS Neg	100020502	4481	378.10167
sulfate of piperine metabolite C18H21NO3 (3)*	Xenobiotics	Food Component/Plant	62299	LC/MS Neg	100020504	4630	378.10167
sulfate*	Xenobiotics	Chemical	46960	LC/MS Neg	100002528	616	96.9601	14808-79-8	1118	C00059	HMDB01448
tartronate (hydroxymalonate)	Xenobiotics	Bacterial/Fungal	20693	LC/MS Neg	100000840	610	118.99859	80-69-3	45	C02287	HMDB35227
tauro-beta-muricholate	Lipid	Primary Bile Acid Metabolism	33983	LC/MS Neg	100001250	4774	514.28439	25696-60-0	168408		HMDB00932
taurochenodeoxycholate	Lipid	Primary Bile Acid Metabolism	18494	LC/MS Neg	1629	5250	498.28948	6009-98-9	387316	C05465	HMDB00951
taurocholate	Lipid	Primary Bile Acid Metabolism	18497	LC/MS Neg	1648	5150	514.28439	145-42-6	6675	C05122	HMDB00036
taurocholenate sulfate*	Lipid	Secondary Bile Acid Metabolism	32807	LC/MS Neg	100001990	4750	279.61422
taurodeoxycholate	Lipid	Secondary Bile Acid Metabolism	12261	LC/MS Neg	1668	5257.4	498.28948	207737-97-1	2733768	C05463	HMDB00896
taurolithocholate 3-sulfate	Lipid	Secondary Bile Acid Metabolism	36850	LC/MS Neg	100001658	5027	280.62205	64936-83-0	440071	C03642	HMDB02580
testosterone sulfate	Lipid	Androgenic Steroids	35668	LC/MS Neg	100001548	4600	367.15846	651-45-6	119207		HMDB02833
tetradecanedioate (C14-DC)	Lipid	Fatty Acid, Dicarboxylate	35669	LC/MS Neg	100001613	4000	257.17583	821-38-5	13185		HMDB00872
tetrahydrocortisol sulfate (1)	Lipid	Corticosteroids	62793	LC/MS Neg	100020848	4276	445.19016
theophylline	Xenobiotics	Xanthine Metabolism	18394	LC/MS Neg	100000437	2356.9	179.05745	58-55-9	2153	C07130	HMDB01889
thymol sulfate	Xenobiotics	Food Component/Plant	36095	LC/MS Neg	100001757	4410	229.054	89-83-8		C09908	HMDB01878
thyroxine	Amino Acid	Tyrosine Metabolism	2761	LC/MS Neg	1094	4808	775.67944	51-48-9	5819	C01829	HMDB01918
tyramine O-sulfate	Amino Acid	Tyrosine Metabolism	48408	LC/MS Neg	100006092	1565	216.0336	30223-92-8	153005		HMDB06409
umbelliferone sulfate	Xenobiotics	Food Component/Plant	48674	LC/MS Neg	100006282	2440	240.98123	69526-88-1	129659
uracil	Nucleotide	Pyrimidine Metabolism, Uracil containing	605	LC/MS Neg	825	1086	111.02	66-22-8	1174	C00106	HMDB00300
urate	Nucleotide	Purine Metabolism, (Hypo)Xanthine/Inosine containing	1604	LC/MS Neg	1134	757.1	167.02106	69-93-2;120K5305	1175	C00366	HMDB00289
uridine	Nucleotide	Pyrimidine Metabolism, Uracil containing	606	LC/MS Neg	535	1457.6	243.06226	58-96-8	6029	C00299	HMDB00296
ursodeoxycholate	Lipid	Secondary Bile Acid Metabolism	1605	LC/MS Neg	1135	5055	391.28538	128-13-2	31401	C07880	HMDB00946
vanillactate	Amino Acid	Tyrosine Metabolism	54910	LC/MS Neg	100006129	1625	211.06119	2475-56-1	160637		HMDB00913
vanillylmandelate (VMA)	Amino Acid	Tyrosine Metabolism	1567	LC/MS Neg	1111	941	197.04555	55-10-7	1245	C05584	HMDB00291
xanthosine	Nucleotide	Purine Metabolism, (Hypo)Xanthine/Inosine containing	15136	LC/MS Neg	100000299	1075	283.0684	146-80-5	64959	C01762	HMDB00299
xanthurenate	Amino Acid	Tryptophan Metabolism	15679	LC/MS Neg	100000015	1476	204.03023	59-007	5699	C02470	HMDB00881