Metabolite name	Average Rt(min)	Average Mz	Adduct type	Mode	S/N average	Control1	Control2	Control3	Control4	Control5	Control6	Model1	Model2	Model3	Model4	Model5	Model6	PA1	PA2	PA3	PA4	PA5	PA6
Urea	0.961	61.04028	[M+H]+	Positive	1028.25	12675369914	9262597087	10348973710	13467718899	12369955846	10142035796	11388872525	18650473615	9658567344	13282486626	9082803568	13303281781	9042352094	9874785023	13509531020	12814241692	10738191461	10749583093
Ethanolamine	0.924	62.06079	[M+H]+	Positive	14.62	5021276	7166054	4050688	4978642	5008813	5049701	6233562	13036790	8866229	6932695	6523010	7436673	5683359	5584597	3801144	3982041	4247729	5161016
Pyrrolidine	1.06	72.08146	[M+H]+	Positive	447.39	723551050	488810223	601232912	652033479	794669985	719036981	592880541	770650098	654276431	710505035	515368532	639521672	798505362	528026978	617361206	791737461	750601211	589803290
Propanoic Acid	0.827	73.0285	[M-H]-	Negative_NH4HCO3	14.32	2365265	2395787	2755926	1346191	2242999	2706328	2081543	2393104	1596501	1029757	1652929	2502591	1466592	811263	1722702	1413440	2036880	1352253
Glycolic Acid	0.908	74.96078	[M-H]-	Negative_NH4HCO3	35.22	20210449	28869513	24058211	20299981	22313392	22779074	19600075	21724591	17044457	17737116	18051851	19638201	21247870	19579382	21469166	19490653	26840124	21095949
Glycine	1.069	76.03998	[M+H]+	Positive	21.97	29271444	25032656	21287504	25952998	26009313	19874923	27495229	31152732	31745918	36892114	35776462	33245732	16609148	25997159	25478291	19539346	24966878	22187877
Trimethylamine N-Oxide	0.946	76.07635	[M+H]+	Positive	163.19	281597838	254444063	219957868	48820868	295540450	380219958	79659025	73167198	45131590	27984226	44697487	21621172	2930175	8922153	60609227	19843946	43417340	5034267
Dimethyl Sulfoxide	1.046	79.02181	[M+H]+	Positive	86.24	11314627	13467429	12848094	10656563	12457278	12520128	12304099	11765410	14681248	11699557	13322848	10880669	11225707	12863524	12962076	11373991	11264096	14166326
Pyridine	1.421	80.05028	[M+H]+	Positive	11.45	6262302	7121435	5498861	5534341	6646212	7679721	7741095	6168331	8510461	5092959	5675944	5081506	9325033	5478829	5406701	8077988	10844587	4125212
2-Pyrrolidinone	1.368	86.06065	[M+H]+	Positive	43.42	35009684	33293107	35220775	31913032	31053063	35610513	41706073	43178934	33022490	35913122	30469056	39462061	32361545	35722551	40614697	35431399	36809816	40868891
2-Methylpyrrolidine	1.522	86.09696	[M+H]+	Positive	1580.33	1408339469	875245141	1289429065	1439210797	1475640614	1383775006	1095213292	1405748923	1313863772	1279144737	1068950490	1263560727	1303285444	1067929827	1276271435	1302379066	1538010430	1175610269
Pyruvic Acid	0.951	87.00768	[M-H]-	Negative_NH4HCO3	352.83	61401785	53393179	64822685	61823206	73654911	72021020	49541521	47570183	48641899	53044438	51878728	61818245	44719850	32304477	55012710	35903514	46398562	42399825
Sarcosine	0.962	88.03933	[M-H]-	Negative_NH4HCO3	87.44	11434846	9873842	15502942	12188812	13778468	12124252	10905836	12120284	10124212	10522313	12787527	12707510	17082331	9581298	13254389	13068712	24189902	9590166
Oxalic Acid	0.828	88.98689	[M-H]-	Negative_NH4HCO3	71.62	7563093	9533976	7648467	9613857	7532611	7739611	7101210	8653092	6971877	6607908	5752711	10644610	9607910	12967321	10676871	10820411	14394999	9360081
Lactic Acid	0.933	89.02319	[M-H]-	Negative_NH4HCO3	1605.69	3246930510	2355937100	2697800485	3276673487	2475921854	3413011538	3072641349	2849641939	3770149442	2847107284	2395332326	3167512252	2742537923	2338262124	2673262628	3111077910	3251027365	2532239585
Putrescine	0.829	89.10789	[M+H]+	Positive	4.54	2840549	1934235	2126727	2341059	2211720	2657303	2724552	3826296	2959658	3756161	2925170	4360794	3315973	3477963	2269531	2455641	2723401	3133740
L-Alanine	0.933	90.0554	[M+H]+	Positive	99.35	103936151	81235617	122746680	102209563	98541710	127788923	95336993	100979585	120905233	106674408	118903031	118900343	127559994	85299437	99555951	117543689	154121713	82676470
Glycerol	1.954	91.02086	[M-H]-	Negative_NH4HCO3	56.82	12436321	12495349	11746200	11344288	11912282	10533961	8059076	8182034	6227491	4123756	8368587	9509447	8711914	6949375	9644501	4917194	14129457	6744498
Alanine-D4	0.933	94.08052	[M+H]+	Positive	64.96	11687430	12957316	13224401	11325254	10486868	13508183	11251660	10745476	14542377	10504685	14374865	11055060	11420980	13761667	13182643	11338355	14246197	10836242
2-Aminopyridine	1.036	95.06074	[M+H]+	Positive	2.54	646900	609243	554817	639129	614041	635915	636416	964125	1272888	1575782	1360844	1309515	714255	608342	887584	1078626	860996	1421452
3-Hydroxypyridine	1.223	96.05296	[M+H]+	Positive	14.61	6264045	6306303	6437691	5641100	6436798	5913596	7146321	7342921	5837233	6466832	6890370	7802760	8005814	3866794	6469254	7306165	6233947	6073742
Phosphate	0.828	96.95897	[M-H]-	Negative_NH4HCO3	5960.88	1234478517	1596777080	1552204048	1752908138	1353719845	1591923996	1127524350	1508825676	1148359266	1243823702	1278358147	1756911371	1441007778	1453658789	1642248281	1405102314	1995985563	1414146372
2-Piperidinone	1.948	100.076	[M+H]+	Positive	51.5	66569268	55242901	53839716	58773156	57944655	56956851	60162978	67693705	187220420	92583564	65654421	97224395	54282267	51792223	70786029	54371850	73157005	75707957
Cyclohexanamine	1.977	100.11253	[M+H]+	Positive	43.09	16010527	24392902	21151477	19234684	21099456	13626136	22941007	14519521	13528881	12829818	15106143	13322595	16812842	21860917	16690358	13432040	15055042	23399346
Alpha-Ketobutyrate	0.968	101.02332	[M-H]-	Negative_NH4HCO3	66.53	37102681	16532776	21404663	13530372	17481107	20829822	15204361	14019466	21048532	13671737	20053634	20911087	16173826	14607002	15729391	13115942	19223577	11252141
Acetoacetic Acid	1.327	101.02344	[M-H]-	Negative_FA	126.69	55559541	79780432	38576282	40677068	87819271	47345687	48747924	76894648	60946520	47446451	82378403	47091072	20197018	64776954	49679810	21498670	39930754	42745270
5-Valerolactone	1.001	101.06004	[M+H]+	Positive	8.47	7296945	6381845	5924517	6341450	4936257	5298396	4383395	3871636	4476914	7205287	3987016	4776997	6759851	4559536	4577824	6375882	6654016	6855007
Gamma-Aminobutyric Acid	0.868	102.05489	[M-H]-	Negative_NH4HCO3	44.81	1064593	1552490	1659839	1691220	1437236	1353836	1762793	1904143	2032269	2026554	1645059	1729749	1173208	1005583	958888	1188057	1871131	842397
Alpha-Aminobutyric Acid	0.97	102.0549	[M-H]-	Negative_NH4HCO3	18.54	314406	593206	1052618	727382	445971	533495	671930	584002	697261	601826	267173	812657	292417	511210	197919	180678	1174333	277661
1-Aminocyclopropane-1-Carboxylate	0.969	102.06656	[M+H]+	Positive	9.22	40427409	35937059	38036595	45246802	43426418	37054577	45072350	50128376	37599053	46461131	35174099	42353525	37177263	40441017	37072192	46033353	39616554	39594713
Hydroxypyruvic Acid	0.826	103.00246	[M-H]-	Negative_NH4HCO3	25.37	1968251	2286412	2130415	2229474	2125810	2464052	1964817	4149600	1651426	1798104	2588977	2803306	2669697	2017114	1559123	1247003	2078217	1487535
Malonic Acid (C3-DC)	0.989	103.00299	[M-H]-	Negative_FA	13.09	9289134	7090288	6188828	6644598	5456321	7919967	7251868	11445149	6719820	6914104	10739538	10038786	12396558	15197850	8994635	12440911	11207765	8148833
3-HYDROXYBUTANOIC ACID	0.959	103.03902	[M-H]-	Negative_NH4HCO3	1153.92	190789322	186236884	122500006	291105430	197092289	68108483	132516293	235820022	168828476	259370859	289824555	170309009	75191637	170964259	147476522	82706262	139944321	151254894
3-Hydroxybutyric Acid	1.379	103.03908	[M-H]-	Negative_FA	374	937888861	815271327	514895098	1243107908	1003579987	409244477	626965709	1090622694	792017302	1213702768	1335758413	723491701	243483556	676593557	600118235	319326082	359010689	673081284
3-Hydroxyisobutyrate	1.569	103.03918	[M-H]-	Negative_FA	137.41	517033624	458369980	481759214	557943764	499541731	298983942	649053126	690142516	635614572	648233188	846035523	641682585	507421134	782724805	637667099	536526817	797361362	611929073
L-Serine	0.957	104.04211	[M-H]-	Negative_NH4HCO3	120.42	4570707	3887531	3349248	5758694	4427181	2334719	3386495	5251569	3971810	6053718	6079731	4534650	2654840	4018162	3296384	2012475	4004378	3487656
Choline	0.924	104.10717	[M]+	Positive	3566.55	2164193938	2491918244	2038035949	2395633657	1900265870	1688569075	2770392572	2860270759	3187544291	2517452893	2348663418	2322250701	2180352575	2224071240	2248199983	2056240718	1856566877	2418647390
Glyceric Acid	0.871	105.01815	[M-H]-	Negative_NH4HCO3	61.65	3887749	5935131	5130359	8394555	5709146	4318135	4619334	6911608	4401713	3826255	4330042	5007441	4735886	4422926	5595980	4474891	6037578	3779915
4-hydroxybenzaldehyde	3.826	105.03387	[M+H]+	Positive	10.16	102990460	85604712	94417455	140922914	119723272	139304135	33536809	30488574	33591253	50550232	28324693	29229792	146153070	182118533	69177778	64557439	47168355	57568292
Guaiacol	2.037	107.04947	[M+H-H2O]+	Positive	87.22	42537241	26971598	38409000	40794898	42201966	45081818	31278153	38774841	34661885	33558129	30559812	36308185	44645517	33370021	38217889	47640785	45260171	40966300
2-AMINOPHENOL	1.362	108.04227	[M+H]+	Positive	4.55	2645156	2716667	2699742	2230307	3089057	3544089	3616093	3555511	3149047	2171712	2282839	3539804	3191688	2963564	2954569	3236544	3525177	3229283
BENZYL ALCOHOL	1.218	109.0651	[M+H]+	Positive	7.18	6664511	6240771	5977697	6468355	7132508	7080361	7482774	7782538	7599703	6768076	7335675	6172989	8356140	6265710	7055875	8408069	9525960	6424308
Pyrrole-2-Carboxylic Acid	1.209	110.02371	[M-H]-	Negative_NH4HCO3	8.6	20933	38200	22082	46462	99575	48669	22729	22063	187212	44229	26234	21505	19597	50081	43200	17197	23821	46571
Cytosine	0.981	112.05069	[M+H]+	Positive	8.94	8657175	11541276	15342545	16093217	10254328	10034751	16815740	19109530	14482637	14700780	17685973	20631410	12900509	15872466	15750051	13473290	17963303	16935340
Histamine	0.839	112.08719	[M+H]+	Positive	137.86	40812562	22224329	19288627	63902819	34424976	43323957	10818187	37812961	32982527	49549163	41755213	25666680	27363195	11222463	20559908	16516064	17477026	41832645
Uracil	1.066	113.03468	[M+H]+	Positive	21.55	57385155	42025708	48991074	49811862	41900936	42220339	40961601	59206771	70088591	73719314	58131924	72144450	44991825	36938301	47685437	39430715	51206174	41788646
Creatinine	0.936	114.06642	[M+H]+	Positive	43.96	43502220	37676737	37761376	32756749	37308214	36789797	36222997	45946389	41184823	33437975	36632961	39318118	36312523	37766325	36731420	32803709	43978184	32919104
Fumaric Acid	0.826	115.00237	[M-H]-	Negative_NH4HCO3	21.25	12515674	11575095	19413352	14621398	13503013	15640073	8315672	13138998	9937883	12391087	9203303	15273766	9314572	4512546	7676027	6121839	11322432	5003714
Maleic Acid (C4:1-DC)	1.03	115.00286	[M-H]-	Negative_FA	12.31	13748036	9565680	15744639	15186769	14117744	14608830	8958208	14224330	10657379	14216536	11147486	16100889	8254785	4029721	5810125	5627763	10755372	4713966
Ketoisovaleric Acid	1.422	115.03889	[M-H]-	Negative_NH4HCO3	42.35	18564631	14045905	18810544	21619988	17410063	18224665	12155235	20367158	11802736	16856295	15382312	27133334	11643719	7888757	12771153	8361547	14017422	11963094
3-Methyl-2-Oxobutyrate	2.009	115.03926	[M-H]-	Negative_FA	134.74	178760013	146456642	169095383	205568147	187145801	179794444	141709811	216599192	128815135	171318957	151049969	240261077	117828715	85044416	127272580	98492453	135467515	126755015
5,6-Dihydrouracil	1.047	115.05041	[M+H]+	Positive	15.43	26848047	20488004	24397451	16396672	27927271	19398480	24579532	47362668	36406549	55073388	21550806	47016978	13780658	19026306	13921621	18721435	12579160	23567741
Caproic Acid (C6:0)/4-methylvaleric acid	4.138	115.07529	[M-H]-	Negative_NH4HCO3	29.44	9103167	5808162	6278619	10595198	7593110	3722312	5599884	10351839	5269601	7220156	8913274	7782970	3965635	3790132	4955997	2834968	6658183	3568918
Gamma-caprolactone	2.875	115.07546	[M+H]+	Positive	4.27	5068665	7847406	5061881	7000755	7160219	4699010	13339828	15298964	8686652	14255478	11204834	14583760	6449856	8346500	5471102	5667921	7086995	7138312
Prolinamide	0.843	115.08675	[M+H]+	Positive	4.53	9869069	6136189	5673014	7646217	7446281	5846890	6969098	8809459	5999553	7634578	4775820	6624078	3623663	5496747	4454335	5459961	3189808	4471201
L-Norvaline	1.066	116.0705	[M-H]-	Negative_NH4HCO3	1133.32	127807949	102040369	123899667	134249464	150389079	140694912	101520195	144247877	103638478	114999397	88116932	134516809	149714521	89087684	130458693	145411538	177624874	90332339
L-Proline	0.954	116.07083	[M+H]+	Positive	545.02	305857174	286776421	484433552	361077239	363065975	363245460	411915444	367034488	416001298	363007799	347603824	353423034	683764468	320407347	317606612	661074900	802335035	399354572
Succinic Acid	0.826	117.01823	[M-H]-	Negative_NH4HCO3	313.77	50840926	57482460	50912033	55461674	54195903	73749096	43662427	81993169	36616132	51126603	41333191	89272979	37175856	21746232	35190556	25369521	36833307	23123904
2-Hydroxy-2-methylbutyric acid	1.221	117.05466	[M-H]-	Negative_NH4HCO3	313.86	31625264	41546061	53595507	34296823	23745193	40784407	36413483	36585577	34549404	29752606	38914546	47579925	36576107	33852531	30095536	30316239	32656039	27253028
2-Hydroxyisovaleric acid	3.072	117.05486	[M-H]-	Negative_FA	757.96	424683973	431906308	538591718	393392156	327882868	466711689	455838067	448357359	441402773	395018631	467758996	530331897	429555976	441148279	367438489	409157746	367920500	361751838
3-hydroxy-2-ethylpropionate	2.681	117.05494	[M-H]-	Negative_FA	33.33	16531784	17788522	21367910	15140688	14496847	15192176	25645748	23852097	18598414	17713201	33377295	22692968	19694837	30581031	24355575	18643759	37288814	18087339
2-Hydroxyvaleric acid	3.123	117.05742	[M+H]+	Positive	34.12	26982780	19934110	18419057	12193461	23530292	21511303	17856598	16090873	23451464	18027239	21257210	17347294	18335471	16960375	15016297	20382270	21230895	14987091
Aminomalonic Acid	1.312	118.02186	[M-H]-	Negative_FA	82.66	8394604	8186754	7233224	8344634	9137245	10590458	7274458	12973587	7615551	8615310	7514674	12462112	6371798	4471180	6426347	4758282	6219730	4651312
ALLOTHREONINE	0.947	118.05	[M-H]-	Negative_NH4HCO3	97.87	3341908	2642509	4277097	3739632	3675006	3163683	5002647	4941873	3659573	4277481	3451710	3200336	4930161	3060333	3110233	4283147	4900844	3243960
N-Acetylglycine	1.069	118.05016	[M+H]+	Positive	97.14	30919349	21314781	19119877	22199961	23994414	14208053	25810540	41027847	35123910	49033029	45903615	44223664	9180679	32969842	19047422	14133227	27529255	17695393
L-Homoserine	1.222	118.05786	[M-H]-	Negative_NH4HCO3	35.29	902658	1247211	1368457	976626	776620	1229756	1013699	1084714	925056	770613	1072495	1262168	1025330	1001039	892903	835367	988197	729865
Guanidinoacetic acid	2.037	118.06542	[M+H]+	Positive	20.16	24486785	15185476	21779540	23923229	24826382	24440226	18598589	22916991	19348991	19501994	16927517	21665732	24087657	19681407	22415114	27650332	26319591	24772264
L-Valine	1.059	118.08638	[M+H]+	Positive	1693.41	2210333706	1522234979	1840242883	2076169703	2441372447	2165927292	1839213109	2362620686	2045890082	2160486865	1623246900	1978838880	2421392832	1654620955	1985360484	2426857296	2308033669	1822062320
Betaine	0.942	118.08644	[M+H]+	Positive	460.39	187930505	157449234	465390302	342075806	255188292	369463606	167287773	165658513	130332437	135742575	146922653	197216482	247872384	240332079	225449805	213769168	152693857	219173185
2,4-DIHYDROXYBUTANOIC ACID	1.018	119.03437	[M-H]-	Negative_FA	331.21	86692485	84965741	104431945	95636625	81242607	95073281	99425323	137247005	89720647	97001640	86177154	106854594	69025166	100032615	72468870	67669665	114323794	72346037
2-Hydroxybenzonitrile	1.878	120.04438	[M+H]+	Positive	5.25	1750407	1332407	1942349	1608432	1948487	1560943	1211746	1844897	1337667	1366583	973449	1598361	864481	1278968	1731553	1912153	1938553	1317331
Anthranilate	4.641	120.04449	[M+H-H2O]+	Positive	3.93	3176208	1587978	2868109	2970185	1666807	1900553	1272725	3440357	1433249	1139905	927731	1437589	792544	568601	781953	856787	1490658	1146359
1H-Benzotriazole	4.177	120.05569	[M+H]+	Positive	5.37	224750	185021	73814	360885	218061	315701	507314	254708	365405	359323	179801	100462	189289	255150	433902	456756	132877	71271
L-Threonine	0.942	120.06573	[M+H]+	Positive	60.76	36180875	27773512	45089788	35374887	37923146	38027781	45146159	43792521	47315315	43248555	35332777	30947319	43264362	31452907	32970397	47949623	50488753	33702832
Succinic Acid-D4(Neg_NH4HCO3)	0.826	121.04333	[M-H]-	Negative_NH4HCO3	902.4	120002588	145842387	135473905	133967065	121482844	131091264	121256812	118673164	120646618	114641645	118578918	128570130	127163494	120364258	133753274	113573778	143763484	122658454
Succinic Acid-D4(Neg_FA)	1.3	121.04357	[M-H]-	Negative_FA	1446.27	501626670	480314180	460671770	471147021	463789547	474109307	474332902	478014998	499124284	484294597	477727167	464299650	469521813	492445114	478426223	461333512	493350130	531183216
Phenylacetaldehyde	1.22	121.06495	[M+H]+	Positive	88.16	24104357	23440629	25078431	23952090	27070292	22736427	28960918	34891179	23910875	24112606	24727745	23685816	23633146	20631382	24212671	28641190	29777268	19559085
Phenethylamine	2.934	122.09648	[M+H]+	Positive	7.2	633777	598300	694678	428551	204528	468784	732112	792863	849798	2697117	443688	438347	743102	641466	711582	463683	520651	328155
Benzoic acid	1.222	123.04419	[M+H]+	Positive	199.06	144950805	123072408	131331318	130858186	166605429	141010821	179552125	177526730	171744112	143131595	146676488	123601119	180370521	94510499	125847009	194535916	190877105	147058614
Nicotinamide	1.115	123.05531	[M+H]+	Positive	177.86	82415692	66322626	92834521	229676658	117753227	107738881	76418789	120137129	113365612	131041953	106310740	145060691	155545724	140323383	190739165	83095501	122162910	138443336
Taurine	0.933	124.00624	[M-H]-	Negative_NH4HCO3	315.28	27870279	36506036	39882116	38357740	33348837	31634338	24239690	49460750	28609142	38561728	39990673	41214025	39250515	30538137	45868805	32932974	44792846	28719168
Picolinic Acid	0.825	124.04121	[M-H]-	Positive	51.84	18007085	20316708	18659136	14459337	20450261	18269497	19088883	19943269	14621553	15844588	20118819	20510182	15386516	11801316	14394177	16952515	23948830	14233675
5-Methylcytosine	1.097	126.055	[M+H]+	Positive	11.58	1210151	42534137	1715390	3712149	3285720	59172927	60812058	3450541	2019041	55207316	2602340	93076064	47466186	1224477	1663798	1334607	2743139	48001748
1-Methylcytosine	1.199	126.06296	[M+H]+	Positive	151.95	36145012	44427361	55636893	65297010	66528813	60775907	65395087	77381008	48566420	55647568	46798307	98446556	47971554	31799211	26598085	25493065	41284561	51486793
Methylhistamine	0.84	126.10264	[M+H]+	Positive	517.58	53596908	59404017	42292274	61837784	42421562	43652407	29768588	93676658	103434854	118512317	54361680	127237695	107438566	103636932	112574970	110410245	69746844	143630822
4-Hydroxy-6-Methylpyran-2-One	3.091	127.03896	[M+H]+	Positive	6.35	3735886	6244101	2018838	3304200	4099090	4142616	3929126	5808445	5211463	3803026	3842875	5306774	2548467	2640252	2405191	3702172	2945030	3188043
4-Imidazoleacetic Acid	0.988	127.03899	[M+H]+	Positive	10.74	6366574	5813299	6806284	7315589	4992167	5284800	4131054	2975028	6386032	6408517	6458950	6888579	6139504	2327629	3716275	5446721	5758013	4702587
Thymine	1.58	127.05028	[M+H]+	Positive	84.12	29933077	27754669	28874912	30966211	26834109	29623969	46370311	35566174	33960401	43228170	32340410	46037191	18241657	28670750	18604259	18766428	23036194	47814920
Itaconic Acid	0.934	129.01584	[M-H]-	Negative_NH4HCO3	131.02	22037016	22225003	25158950	30969870	17325304	25866036	23298785	17328957	24090272	19775345	18559947	28307089	26038698	17224962	27705365	17088122	22844781	21360412
Citraconic Acid	0.799	129.01802	[M-H]-	Negative_NH4HCO3	44.76	14646868	14256555	14275656	13100867	13071054	13869693	11178349	15677868	13132336	12200109	9533920	14387558	7893499	7561989	7280009	10791053	11900260	7050025
4-methyl-2-oxopentanoate	4.067	129.05481	[M-H]-	Negative_FA	275.66	421634865	218055986	421782395	452462761	414686390	439409173	258117568	422300806	232798973	344770009	337130564	533639312	223520773	127952982	214379500	141608997	292612408	208086089
3-Methyl-2-Oxovaleric Acid	3.705	129.05496	[M-H]-	Negative_FA	350.15	300479152	194485801	297361184	294990679	279029958	296761676	201141583	274546273	185427010	247018259	247289916	370143515	179528065	115750712	184474808	119674145	226763233	159522502
Heptanoic Acid (C7:0)	6.498	129.09099	[M-H]-	Negative_NH4HCO3	7.77	874285	976058	1255690	1238493	1044457	887983	1081525	1184327	963498	948743	889513	1242029	891547	645261	809103	780214	1501639	550731
Pyroglutamic Acid	0.941	130.04985	[M+H]+	Positive	125.23	41632432	42300751	53211050	43050303	50005154	56216508	43667510	47242669	61273755	51079309	53611268	53251768	46394355	41269089	44854804	46608958	60041893	40008353
N-Methylproline	0.843	130.08624	[M+H]+	Positive	315.56	108200525	91697552	116053900	106227489	124160409	126627677	139346487	200779038	157315875	163817726	112702904	164621239	157531367	115931403	105682000	144030048	127631447	141772079
L-Pipecolic Acid	1.037	130.0863	[M+H]+	Positive	188.87	138447604	147487583	147694448	122981665	160056936	163133594	84681531	107672054	114985867	86289624	82260536	100806543	87726334	98309885	95724312	95841830	114439682	72451968
Methylsuccinic Acid	0.997	131.03386	[M-H]-	Negative_NH4HCO3	16.15	4060569	2084328	2088121	3928865	2777319	3986872	2413284	3520411	4799299	5153249	3768461	1970715	4126057	2913642	3626156	3507826	3055251	1673692
Glutarate (C5-DC)	1.659	131.03416	[M-H]-	Negative_FA	16.7	12580332	9934399	12444274	13356027	16907578	18454813	9738821	18181004	25946628	18552903	10543999	19558092	9165790	8714074	6939811	8543663	10658300	8542596
Ethylmalonic acid	2.549	131.0343	[M-H]-	Negative_FA	6.15	11237271	10507881	7437224	7413378	11119085	9015497	9939706	13273218	9023938	8542618	10242516	11631250	7337894	8993021	8123899	8408316	9778269	7536416
L-Asparagine	1.045	131.04561	[M-H]-	Negative_FA	18.42	8147270	5370733	5985411	3116077	7459901	4236248	6632129	12716076	8773135	14452280	4490087	10656378	2115375	3550351	2045250	4293271	2309533	6608939
TRANS-CINNAMATE	5.392	131.04915	[M+H-H2O]+	Positive	38.1	23207322	9792436	12956577	30005649	19679161	21836192	0	39099	0	119622	0	226210	59497	744505	0	106683	0	129745
2-HYDROXY-4-METHYLPENTANOIC ACID	1.172	131.07022	[M-H]-	Negative_NH4HCO3	26.4	823352	1073297	803814	752934	893905	569131	1848381	2758586	1316305	2370288	1670555	2909001	724569	1020762	353336	377241	1235232	1100353
2-Hydroxycaproic Acid	1.951	131.07034	[M-H]-	Negative_NH4HCO3	23.5	2206171	2341150	3089516	2507927	2220114	2273561	2249691	2953532	1611695	2114337	2693913	2572319	2375392	3065583	2720924	2271140	3424384	1881534
2-hydroxy-3-methylvalerate	4.702	131.07062	[M-H]-	Negative_FA	32.87	16813565	13749575	20763165	21797414	15122388	21719151	16372187	15234108	14736647	12993890	17132465	19286108	14639270	32572252	28661835	14752733	23402038	16055480
3-Hydroxyhexanoate	4.109	131.07066	[M-H]-	Negative_FA	20.73	11218162	10311079	9230755	14328653	9032802	8296311	9188827	17756749	10691378	11343149	10043559	13726644	6438441	5462942	8267610	7190428	7497020	7289208
L-Norleucine	1.513	132.0027	[M+H]+	Positive	6.56	3122478	3323586	4263992	3451411	3884699	3588906	3689209	2776447	3632489	2501496	3729991	3771028	4001097	3497577	4516341	3216582	4172245	4284508
L-Aspartic Acid	0.952	132.02945	[M-H]-	Negative_FA	73.13	12678355	13458918	10536693	17414654	11849121	11097255	17345422	22336726	18924925	20352402	15078948	16794391	14893851	11828553	15519591	16935757	16224751	16163498
Creatine	0.944	132.07674	[M+H]+	Positive	278.84	505857975	389957194	582260922	463680516	441336227	463523954	328303302	441593447	489660887	432819623	529875394	580693634	467481673	509543520	518767979	674099613	662535462	389753780
3-Methylindole	3.123	132.08073	[M+H]+	Positive	24.89	79975884	60834938	55586790	35902511	73210205	72105516	52598779	48300795	69441516	57007862	68061402	55736007	56372995	49907258	43934320	64494875	64052563	46695148
L-Leucine	1.522	132.10161	[M+H]+	Positive	7833.69	5730709678	3948909679	5691848560	6349659901	6467676943	6145341965	4482415944	6151019983	5345206188	5215930260	4758678164	5131675085	5809494363	4732067110	5630641148	5798117782	6203348441	5144767381
L-Isoleucine	1.421	132.10168	[M+H]+	Positive	4825.67	3046049573	2399550312	3001948650	3199664739	3481414914	3004685258	2566965939	3408757598	2632627890	2901140256	2191408658	2716557294	2870100357	2322304550	2462853683	2855155043	3202545033	2497800159
Malic Acid	0.825	133.01323	[M-H]-	Negative_NH4HCO3	2421.37	248939748	227210195	364986945	300849780	258256998	292058487	153025423	223441496	179936123	239521511	171235622	311133379	161938307	62162309	112294556	101601733	209628212	68667029
Thiaproline	1.198	134.03502	[M+H]+	Positive	32.91	14175488	12968999	12390022	15077443	18272396	16371956	18716571	17781106	17517234	17637428	15472753	16893657	19222102	12699915	14660553	19814181	18061473	17547548
5-Hydroxyindole	3.35	134.05991	[M+H]+	Positive	3.54	2040179	1124491	1921391	1816931	968292	817779	653298	1731232	137565	627543	567170	1518241	244625	811069	777086	907436	766863	539238
Threonic Acid	0.873	135.02869	[M-H]-	Negative_NH4HCO3	1915.67	42981513	39641771	41273439	45321500	39479467	32291642	44559756	55596060	37220338	37786420	53863086	54603100	50636809	72530007	57763479	60287827	67601991	38607301
Aspartic Acid-D3(Neg_FA)	0.955	135.02913	[M-H]-	Negative_FA	669.14	120163643	101943340	100329363	129798968	126625243	80036611	128236005	219356213	99985606	118215831	139218320	140870506	128232866	227743190	153282916	167343666	167167666	117290094
P-Octopamine	1.222	136.07559	[M+H-H2O]+	Positive	935.93	311390514	271142789	293149001	286843336	358761273	305125909	390921862	381910767	358517421	309350050	321714079	266584924	379939537	204130178	272705385	408863907	414143528	310493909
Hypoxanthine	1.21	137.05392	[M+H]+	Positive	53.99	16108470	15630394	7726570	14674793	8123004	11416415	8483846	15373121	9860196	13742735	17333246	7441218	15840187	7885244	14919423	6892051	8660020	14199900
1-Methylnicotinamide	1.222	137.07898	[M+H]+	Positive	77.27	23587346	19296226	22549049	22318541	27285701	22260073	29131160	28995214	26863479	23185800	24667434	19387461	28341241	14597269	19594278	31390516	32332001	22856428
Trigonelline (N'-Methylnicotinate)	0.941	138.05499	[M+H]+	Positive	21.17	14101584	16362490	18102955	15041867	18684980	20723097	8911400	11056348	8651016	8869468	8410684	8697107	15046737	9589140	7963211	14064616	17016670	9990535
Phenylethanolamine	1.79	138.09131	[M+H]+	Positive	8.98	1434928	1213767	1503166	1495197	1429998	1464146	1256261	1439652	1527449	1423582	1506918	1329818	1353884	1272238	1168444	1318306	1121840	1298958
Phosphonoacetate	0.813	138.97832	[M-H]-	Negative_NH4HCO3	18.36	967435	1039420	782086	474378	600069	1009240	850330	324475	221842	196154	599388	839634	608254	517919	1280667	1058400	1301827	268622
Urocanate	1.015	139.05005	[M+H]+	Positive	108.26	27471121	25985002	29474614	75555871	50847559	46514488	44924688	68223841	70171280	67291385	78623005	76886287	43419165	35457330	52070315	47797750	54771750	53700499
Phosphoethanolamine	0.864	140.01054	[M-H]-	Negative_NH4HCO3	62.53	895989	1202249	1126664	1944529	598944	1052972	1126190	1241387	1821765	2303253	1410736	1764428	2432943	1745049	2627335	2376493	1934221	1904121
Methylimidazoleacetic acid	0.937	141.06567	[M+H]+	Positive	32.09	9789065	5716598	10045484	9381542	8998838	10795906	7318938	12043677	9643142	12469733	7419357	10405315	9287857	11054292	6754922	8678116	7550363	10578074
Octanoic Acid (C8:0)	7.125	143.10661	[M-H]-	Negative_NH4HCO3	82.4	8467231	7024760	7567897	10774248	8518980	7100020	8532264	9592400	8605404	9071263	7682647	8107395	12197673	4903090	7776380	9670409	14715682	7553762
Alpha-Ketoglutaramate	0.937	144.03474	[M+Na-2H]-	Negative_NH4HCO3	15.74	700215	359845	575204	432231	393721	543150	460838	314264	677571	331456	229026	476478	383704	416010	504707	353643	461072	240397
Butyrylglycine	1.352	144.0656	[M-H]-	Negative_NH4HCO3	164.95	10154815	7564550	4829296	8784091	10369684	9607523	4293579	9020859	4825047	6951150	5552359	8505951	1161854	2095941	2668927	1593256	2736517	1772212
Isobutyrylglycine	2.042	144.06589	[M-H]-	Negative_FA	113.02	57145358	40093272	26398307	47231932	59922614	51805526	26353659	53377776	29145679	38971783	32103477	48280414	8964218	15081349	18233034	10525283	17011954	12341081
2-Naphthylamine	3.123	144.08066	[M+H]+	Positive	279.78	154649717	118653206	104656699	69309580	141559382	136227407	101520058	91150394	133730209	109378254	131059654	102612095	109838807	95988620	83169789	122233885	127770335	91232644
Stachydrine	1.016	144.10178	[M+H]+	Positive	55.83	65138504	72422059	78061302	84657566	67822399	76198891	11818737	12734707	11048245	12381004	12477309	13553676	10191676	11362245	10007408	8339545	8460073	8750499
Oxoglutaric Acid	0.828	145.01324	[M-H]-	Negative_NH4HCO3	205.38	143953628	123600437	158928153	127766401	148009734	147837817	79083039	91702712	86265546	97254434	78599071	90725502	35770905	16773445	31339768	29475411	50523419	30741280
4-Guanidinobutanoate	1.018	146.0809	[M+H]+	Positive	21.15	7966748	7658802	6368625	6456619	9677458	11113130	562414	728637	462457	1331238	488215	3042509	2278413	544427	351005	791252	571129	416809
Allysine	2.042	146.08098	[M+H]+	Positive	41.87	19396114	13309928	9853117	16377133	19467357	18860935	10436272	18277138	13385906	13639558	13652253	17434690	4878851	6558729	7980760	4790819	7671663	5781279
Acetylcholine	0.958	146.11745	[M]+	Positive	98.47	17380876	18857997	17404713	18625137	21102200	19164697	17602027	22425830	14957012	17135732	20804890	18837390	17317371	19115714	18458870	15788270	19969785	17139078
Spermidine	0.831	146.16507	[M+H]+	Positive	58986	33100562	26936836	17085199	23134382	21282553	17336442	34237258	44732068	25909165	33919834	33126447	41494799	23076525	30973888	21543353	20995877	26492673	26713929
2-Hydroxyglutaric Acid	0.826	147.02864	[M-H]-	Negative_NH4HCO3	107.58	16121251	17875816	16567935	15058124	15380191	17804023	13548405	20485841	16810675	18253237	11887023	23463841	7898823	5497692	5049721	12220529	14637972	7965799
L-Glutamine	0.939	147.07619	[M+H]+	Positive	230.25	83820540	84059424	108775421	88454862	100305526	116295739	95083823	96009456	124315822	103350929	106981545	109160231	96456115	89203138	90235019	97255407	125324221	91929348
L-Lysine	0.846	147.11255	[M+H]+	Positive	3062.34	338735291	280675784	350380682	328420271	374021779	379525858	433798706	612593008	493624515	496094192	343466577	496756751	469285036	355254017	330594029	439523539	394023767	432930580
L-Glutamic Acid	0.95	148.0603	[M+H]+	Positive	93.05	27744449	33226566	33686226	34953770	30447254	30422528	35500949	43359491	55681342	45039771	39214840	39464752	26056817	24858896	27551073	30885265	34564600	24091652
3-Phenylpropionic Acid	5.425	149.05975	[M-H]-	Negative_NH4HCO3	55.94	9348713	2746308	4342108	2085401	1324611	1809166	4321066	2676306	1930137	1655656	2230125	2235753	1829623	1433685	2320322	2382719	3392752	4126678
Cinnamic Acid	2.037	149.05977	[M+H]+	Positive	88.54	26976413	17467567	26497744	26613202	27050120	28883817	20533861	23516704	22733276	21433232	19114869	23584398	27285507	21432394	24956771	31157377	30582672	28323245
L-Methionine	1.199	150.0583	[M+H]+	Positive	5438.53	1146839221	996072898	1204074379	1308489845	1551982753	1373363618	1510157702	1385256719	1355171608	1416551630	1258759888	1244198128	1595368205	994527778	1134461248	1668627190	1553964671	1395411635
6-methoxypurine	1.201	151.06143	[M+H]+	Positive	35.61	62287874	54578707	67410778	73922092	87826859	76497033	84488744	75856209	74074639	81515958	72516658	68978811	87302347	53842304	63184726	93261850	86854821	79735071
Guanine	1.199	152.05411	[M+H]+	Positive	116.18	46314646	41043346	50398363	56098837	66571651	58190144	62556927	57963797	57537133	60716874	52128761	51233263	68978553	40895271	45625272	72974877	65998043	58009577
2,6-dihydroxybenzoic acid	3.994	153.0182	[M-H]-	Negative_NH4HCO3	134.21	17175437	8061736	16753506	10386901	23012247	29818072	433501	635004	29411	21272	229380	33834	1291242	0	388963	1230369	1195986	352884
Xanthine	1.257	153.04051	[M+H]+	Positive	4.47	6433873	7096744	6155767	4459192	4770975	4748628	8101323	3952766	8528829	4411484	6664455	3771862	4793853	3761321	3643390	3603191	5176822	3633018
Methionine-D3	1.191	153.07681	[M+H]+	Positive	987.74	923715138	919173179	864002204	917241183	922738915	905521611	894294631	892504256	957183214	907975164	935131750	904394085	844684818	887742805	894016542	857176310	940711490	956493006
3-Hydroxyanthranilic Acid	1.231	154.04993	[M+H]+	Positive	123.8	18216837	15167616	17695184	19381219	17449775	18548307	19464674	27771940	31540387	24803956	19665768	32514889	38552604	45118950	45131983	36046208	40065856	36975776
L-Histidine	0.969	154.06116	[M-H]-	Negative_NH4HCO3	66.15	2462665	1505111	2657935	3506433	2373814	3845644	2394571	3437818	3365176	3268105	2233960	3015948	4018606	3195759	3017737	3980570	3627921	3733448
3-Methylcrotonylglycine	3.232	156.06593	[M-H]-	Negative_FA	20.2	5090848	1706475	2635243	3719506	3389094	2702366	1650089	3423725	1952194	2848945	2449488	3101690	783933	330178	1050086	1456585	1549392	811637
2-ketocaprylate	6.066	157.08647	[M-H]-	Negative_FA	30.3	6381718	2644611	3773975	1441917	6010905	6697660	5106215	5009623	1849629	5579318	6871776	8516130	5138248	4600091	7086488	4749927	11173326	5575170
Nonanoic Acid (C9:0)	7.372	157.12242	[M-H]-	Negative_NH4HCO3	603.88	65079519	69975911	71285939	73281151	69854477	70062656	58958854	63466271	61549127	59490922	61155562	68621632	65921671	61075678	67275115	58771394	76969970	58962029
Indole-3-acetaldehyde	5.134	158.06061	[M-H]-	Negative_FA	4.78	1131925	573969	904076	533885	826347	1147308	416053	898808	506613	699237	796135	770325	690167	908412	413464	840282	805006	629158
Valerylglycine	3.415	158.08182	[M-H]-	Negative_FA	49.6	32210186	14674196	25890110	23854917	25760674	24928464	13346526	22653228	13202172	16028582	12377505	20736938	9817444	9679573	11100339	11596589	14418824	7339334
N-Acetylvaline	1.931	158.08195	[M-H]-	Negative_FA	18.7	1831712	1707163	1680500	1350454	1275624	1598254	2534346	8085417	5870624	14182488	4892213	17473747	2557532	4573342	5112150	4643584	10915812	3879385
Isovalerylglycine	3.26	158.08205	[M-H]-	Negative_FA	9.63	3777881	1247510	1344804	1598895	1243366	1260891	1106306	2165101	1711437	2674890	1518298	1274433	585218	1068490	814822	730913	926909	713260
Homostachydrine	1.013	158.11731	[M+H]+	Positive	31.63	30193517	40293481	41806350	29873364	29425044	43064108	2282736	2928985	1807425	1605595	1727782	2198045	3305293	905617	944412	2221152	532781	847456
Pimelate (C7-DC)	4.007	159.06564	[M-H]-	Negative_FA	14.4	8056462	7612336	7969937	6818717	10339289	8856658	4411798	7258843	5155534	5552613	5488330	7437606	3295978	3250305	3321264	3157119	3456401	3195570
1,5-Naphthalenediamine	3.123	159.09158	[M+ACN+H]+	Positive	182.81	110047101	85201536	74776370	47708278	101320572	98877135	70478467	62062770	97261729	75092861	90083432	75367072	74441316	69782783	58805023	86051632	88417205	62428408
3-Hydroxyoctanoate	6.657	159.10175	[M-H]-	Negative_NH4HCO3	9.74	230588	263595	224333	312183	312367	456063	418314	687714	226533	254951	331879	615245	236309	185387	280682	253018	510901	306891
8-Hydroxyoctanoate	6.115	159.10184	[M-H]-	Negative_NH4HCO3	25.16	1411472	1218009	1502596	2440631	1162797	954624	1000976	2140998	933599	1595768	1092903	1751005	722590	361699	1344431	748524	1113449	941058
2-HYDROXYOCTANOIC ACID	5.89	159.10208	[M-H]-	Negative_FA	78.8	15274200	12263228	13456082	23628626	11576527	11417869	11501759	21246856	10725812	15556913	12562838	15327495	8263829	6338791	13162757	7608531	9866325	10758546
Aminoadipic Acid	0.869	160.06023	[M-H]-	Negative_NH4HCO3	66.03	1264814	1293350	1381953	1709374	1256166	1178911	2074773	2575708	2294304	2562518	1686646	2371466	1063312	1131635	1174983	1022851	1285488	1266759
N,N,N-Trimethyl-5-Aminovalerate	0.992	160.13292	[M+H]+	Positive	3250.31	588955213	300143217	550451187	615492969	760449286	581019319	362023039	416158820	381320797	454680498	358632284	457069970	350447574	448374468	353695726	323118544	297813139	325989577
2-Aminocaprylic acid	4.749	160.13306	[M+H]+	Positive	118.74	11134341	10687076	13299104	11431523	12865714	8771797	22131244	32875877	20396505	25977449	22407456	29875065	16739617	20926158	20749463	18260015	30268839	21858476
ALLOSE	1.036	161.04434	[M-H2O-H]-	Negative_NH4HCO3	175.78	86377935	34769057	40408209	36386031	89987112	54609912	59653038	31869956	31259608	52869813	49964391	91382868	36374750	24037954	11805862	55192180	42808583	13226725
3-Hydroxy-3-Methylglutaric Acid	0.83	161.04446	[M-H]-	Negative_NH4HCO3	43.82	4893757	5984240	4847921	4443244	5440330	5089262	3301606	7500707	4297041	5236604	5843039	10165177	3768240	3773184	1894764	2522170	3453730	2324427
Ala-Ala	0.962	161.09198	[M+H]+	Positive	6.11	1343020	502415	1752233	1187104	1190978	921382	327663	115033	1375895	548968	0	228781	191324	241399	387327	291269	614188	0
N6-Methyllysine	0.854	161.12842	[M+H]+	Positive	55.96	13829267	17399574	12819542	14334661	12799689	15331326	4912840	6733201	6513046	6080313	5081683	6850696	7552902	7863545	7765705	9461857	8857259	8525282
L-Beta-homolysine	0.991	161.13632	[M+H]+	Positive	207.95	46780390	24318947	45738977	48871583	61306913	46286130	27826737	33078786	30480866	36179531	27710083	35828646	28374097	35198073	27532789	26644736	22733553	25648101
N-Acetylthreonine	1.222	162.07594	[M+H]+	Positive	44.16	10760092	6687213	7833699	8163968	9564448	7409837	7487249	11463466	20486228	9972702	7587344	10809852	5452077	5586266	5033716	4141912	7370653	6009328
Carnitine	0.936	162.11235	[M+H]+	Positive	2012.93	211587960	220512695	297961799	223332975	245194832	339888975	267400568	232030930	276902930	196017546	245240628	293828167	323375283	376486577	396458018	310206840	338640798	307027097
Phenylpyruvic Acid	4.641	163.03976	[M-H]-	Negative_FA	15.68	4477092	1894229	7380263	1520764	6960055	4888755	497464	483490	261180	277791	309162	417680	2246129	560768	329298	1874889	2728174	334990
5-hydroxylysine	0.936	163.11545	[M+H]+	Positive	11635733	14752605	20027339	15473527	17950762	24871829	18966651	19579872	19039386	13447870	17625285	20648639	19142849	25801819	23138716	21068456	22338557	20900223	12018614
L-Allothreonine	0.931	164.02917	[M+H]+	Positive	57.72	18505537	14793313	21906883	18952583	19547418	18765323	25795445	25813271	22247012	22835631	17935887	17856539	23651997	17875778	17235710	23808182	25463837	19425496
P-Coumaric Acid	1.222	165.05455	[M+H]+	Positive	1545.3	244076503	209984872	224975715	221305940	282391582	231517941	298830260	296978365	276607249	237081544	247823533	205165575	292715032	157314821	208491881	309373352	320433737	240208977
3-(2-Hydroxyphenyl)propanoic acid	5.016	165.05525	[M-H]-	Negative_FA	22.84	7306565	10964708	6580845	11579490	11095459	17414200	4758587	6807911	3733354	4193065	4297740	6867831	8481102	5583912	5198708	9460861	8252683	5337834
Carnitine-D3	0.936	165.1311	[M+H]+	Positive	147.46	16435969	18217387	19778523	19329320	16059562	20697548	19138227	19519405	21119518	20225175	21762622	18859184	20900507	21969575	23552603	23284766	29203767	25611319
Quinolinate	0.87	166.01688	[M-H]-	Negative_NH4HCO3	95.69	1673312	1877940	4070984	4452444	1770636	2218120	2032066	2264771	2531735	4296546	2490678	5418991	3891621	1617700	1468131	4589425	4986853	2511060
L-methionine sulfoxide	1.221	166.05795	[M+H]+	Positive	15103292	18428966	19642402	19990501	18265979	20754770	27913671	18726331	24599069	22661088	21949462	17412627	21742209	14768013	17006049	27479530	29045920	22243988	22135156
L-Phenylalanine	2.037	166.08607	[M+H]+	Positive	11609.43	3599027921	2292889042	3345863055	3480413490	3620071619	3822602650	2748560117	3293072258	2965138041	2816584303	2567105613	3132261183	3585635989	2821080464	3266748879	4000112654	3879702194	3622690553
Hordenine	2.038	166.12189	[M+H]+	Positive	1424758	16759900	10292047	16687901	16215197	16665413	13948300	12207921	16177864	16033216	11657753	9424528	15047475	14343912	12945902	14496815	17547750	14279931	16173434
Phosphoenolpyruvate	0.8	166.97377	[M-H]-	Negative_NH4HCO3	44.22	62122	132799	95105	3486430	146354	37385	0	61405	230806	238965	83394	371763	381431	325382	200293	266814	496952	201873
Urate	0.947	167.02	[M-H]-	Negative_NH4HCO3	1588.22	60011196	82168840	67013958	79978664	48735640	52380934	48200580	37940185	60543958	50047091	50341413	63121708	44502221	24562768	56244105	39630061	72724830	50534414
Pyridoxal	1.226	168.06546	[M+H]+	Positive	23.23	8888519	7609214	8099541	8806585	8302910	9116585	7618841	8925985	8019713	8873259	8516876	9118239	9462892	9363778	9839177	9099155	10292900	9363962
Glyceraldehyde 3-Phosphate	0.826	168.99008	[M-H]-	Negative_NH4HCO3	28.22	0	39698	38140	100123	0	0	0	0	32839	46938	37565	56768	321463	0	519625	243016	843189	273817
Decenoate (10:1)	7.28	169.12231	[M-H]-	Negative_NH4HCO3	64.55	1327185	689639	2289766	1098783	5486034	1003333	1080966	851646	773966	4399789	1319570	5088234	1800198	565168	751458	515466	1153436	3047924
Pyridoxine	1.22	170.0829	[M+H]+	Positive	19.41	6589179	7178957	6364361	6600420	6951024	7278372	6967861	6877135	8013476	6820915	7756431	6874683	7923078	6882063	7073442	6561100	7000474	6587991
1-Methylhistidine	0.858	170.09216	[M+H]+	Positive	32.05	8361209	9307144	8693029	8017073	8960679	7808336	10338224	14050435	13413825	11338991	12262443	11667965	14926550	13871223	14878157	14326187	17273597	13359275
Glycerol 3-Phosphate	0.83	171.00526	[M-H]-	Negative_NH4HCO3	243.84	20077892	34249218	22736919	19257431	20199251	16969233	29495091	23053564	34536810	28329390	18436149	26950970	21481080	16578445	22979303	21636716	14488246	19966716
Decanoic Acid (C10:0)	7.539	171.13806	[M-H]-	Negative_NH4HCO3	340.67	10305442	10833393	10926185	15664806	10517111	8453332	66011334	77000995	82611497	54486823	31728129	38630405	96869216	13088486	38289653	91434668	57394775	42402894
Hexanoylglycine	4.777	172.09683	[M-H]-	Negative_NH4HCO3	146.23	15000584	4583982	3758492	21085750	6163846	5837166	3694324	3918103	6452034	11766264	2753556	11177349	2124146	342676	2089816	2295607	3782977	2776878
N-Acetylleucine	3.416	172.09689	[M-H]-	Negative_NH4HCO3	41.94	2299773	1531464	3885643	3244645	3876258	3603082	1010066	1216917	1054046	872803	771270	1913429	1460666	748080	849215	1577828	1576732	520311
N-Acetylisoleucine	3.175	172.09702	[M-H]-	Negative_NH4HCO3	12.17	674057	293352	618463	400692	466127	467613	140049	180555	155625	191313	101766	241164	120137	56646	104756	219242	24561	19239
Phenol Sulfate	2.857	172.99002	[M-H]-	Negative_NH4HCO3	637.18	29581048	56711509	87003285	10945191	22104887	37444705	36921898	4644890	1139479	1476438	51186054	1774407	127170	84688	212153	301964	857157	206950
Aconitic Acid	0.797	173.0081	[M-H]-	Negative_NH4HCO3	748.41	60496293	62133967	60254759	60617871	55999764	58989303	45669140	65181661	51822127	49001823	41101475	59836517	34027006	27297980	31332122	41116336	52255391	26111273
Suberate (C8-DC)	5.046	173.08147	[M-H]-	Negative_FA	50.07	15268340	12895602	12592293	14743345	16178674	15545659	13555530	18957002	14456517	16174262	11738749	18790353	13002082	11401819	12116229	8291465	11707235	9926858
N-Acetyl-L-Aspartic Acid	0.827	174.03963	[M-H]-	Negative_NH4HCO3	59.47	1606139	1926061	2369045	2664993	2483029	2058679	2463466	3644003	2175575	1844862	2153529	5709046	3164709	2165477	1593933	2152770	2755142	1099264
Ascorbic Acid	0.832	175.02394	[M-H]-	Negative_NH4HCO3	530.75	26337918	22634253	50809259	61665196	17865093	25551792	16114800	18567310	13352845	39073439	15763222	37161343	24857009	7329200	11562018	23578944	32173245	32620983
Gly-Val	1.421	175.10754	[M+H]+	Positive	64.75	6735893	5383973	6561305	9575261	5018705	9807399	8999149	4406938	5398184	5052221	5322128	7012838	7991833	7208122	12408128	13518703	17700651	15367485
N-Alpha-Acetylornithine	0.968	175.1076	[M+H]+	Positive	68.93	9947723	10862765	11310848	9639381	11352977	11552493	435806	572531	515245	308596	353515	659414	553213	376727	648417	1195299	715503	1409054
L-Arginine	0.86	175.1189	[M+H]+	Positive	980.87	78201827	134431962	157782862	181179490	151803663	226155398	91623331	125900780	160008982	115905558	127852458	139141153	151138112	139607258	131360124	145387463	167458908	167071384
N6,N6-Dimethyllysine	0.861	175.14403	[M+H]+	Positive	2721162	2001474	1680668	2208854	2123515	1856316	1860592	1385680	1682176	2043859	1318011	1765749	2480312	2294344	1645405	2367233	2162158	1868233	2520987
N-Formylmethionine	1.4	176.03781	[M-H]-	Negative_NH4HCO3	74.69	3150413	1949220	2079484	3602085	4284408	5237676	1642049	3383293	1483802	2105329	1597748	2409942	1974955	1009870	870594	1222927	1058356	866289
Guanidinosuccinic Acid	1.521	176.06558	[M+H]+	Positive	102.51	32514551	22031434	30385455	33547775	33113595	31736162	26101477	31702481	32172807	31646131	27463920	26017229	30212603	26822988	28028019	30013706	30054048	28364008
Citrulline	0.947	176.10277	[M+H]+	Positive	50.55	11490848	11225305	14269308	10088610	11666832	14369082	13214997	13061295	14975446	13848648	10412140	9625501	11875206	8994208	12045700	14956278	15458921	8340046
Serotonin	1.453	177.10214	[M+H]+	Positive	2115.43	250601061	237834857	209770122	126586322	161526404	191714059	92306022	83330208	167092811	179741010	180117340	150403951	151338939	72488700	185197101	153820095	180166211	186026561
Hippuric acid	2.696	178.05009	[M-H]-	Negative_NH4HCO3	487.39	49946790	33112270	22293916	41577235	41362341	76489015	149637	444757	308973	604367	154155	573956	81516109	139731980	13739290	5907590	5082319	3999191
Alliin	0.866	178.05858	[M+H]+	Positive	61.87	11760875	7026633	10925386	13717636	11440890	15909938	11473011	14330995	12284351	11127677	9842629	12231384	16095704	14118214	12194432	14182079	14579922	12356168
4-Hydroxyphenylpyruvic Acid	1.6	179.03406	[M-H]-	Negative_NH4HCO3	26.44	1942220	1232262	1758523	148772	1957018	2322332	661425	915670	682441	1060493	834743	1434843	1696680	340044	875633	3144696	1917243	902741
Glucose	0.954	179.05534	[M-H]-	Negative_NH4HCO3	1078.46	72443846	65727510	74525692	67324457	77372257	77886975	59018413	55570476	61931186	64848598	64523783	77884603	68910973	51481079	53205051	60384863	67856914	47275236
Mannose	0.919	179.05595	[M-H]-	Negative_FA	188.29	62520221	52672727	65563475	48849639	70085231	62456803	54613645	48587077	57872390	50812739	59952151	59232788	49854264	44499515	47073220	55611246	52918435	42340303
Hydroxyphenyllactic Acid	1.232	181.04947	[M-H]-	Negative_NH4HCO3	194.33	6397791	7947868	6189289	6013785	6873250	8387839	8345996	10863575	5477022	4910906	6174428	6936124	6148554	4131833	4710218	6901001	5968555	4208338
Mannitol/Sorbitol	0.956	181.07132	[M-H]-	Negative_NH4HCO3	26.87	1032584	860934	1162995	1197240	918842	1929033	1012138	937452	1121484	1117024	986271	998780	1401422	1169705	1012392	1298993	820924	623056
Pyridoxate	2.992	182.04489	[M-H]-	Negative_NH4HCO3	128.28	13803527	4176593	4122478	3121253	3103202	4711241	9668639	11504818	3408735	5005105	2399861	6323136	2941118	3177406	2958832	2058744	7091189	6582682
L-Tyrosine	1.222	182.08104	[M+H]+	Positive	672.04	1430520054	1204678817	1253631145	1256126865	1569524598	1297215993	1676058552	1662786001	1546439655	1341811133	1412401458	1178554753	1632990189	907158132	1221926210	1739884768	1813721063	1373270170
2,4-Dinitrophenol	5.739	183.00438	[M-H]-	Negative_FA	192.93	100678331	97587393	102784442	99316835	95887663	93021526	92503866	97153554	102453510	94747499	95367237	98213479	98905189	93782812	92602319	94592598	96285931	102786413
Undecylenic Acid (C11:1n1)	7.533	183.13792	[M-H]-	Negative_NH4HCO3	29.62	1405228	1392142	1431617	1422314	1397449	987022	767460	768903	498763	920117	463305	610179	821960	656800	1015206	780717	969074	582267
L-Tyrosine-D4(Neg_NH4HCO3)	1.198	184.0905	[M-H]-	Negative_NH4HCO3	517.47	16905038	20050460	18365125	18788270	16554864	18697824	16528138	16546015	16845172	17324159	16816176	18065509	17132590	15278947	18803714	15700935	20979743	17919801
L-Tyrosine-D4(Neg_FA)	1.231	184.09116	[M-H]-	Negative_FA	74.21	5841852	6591530	4922568	5560969	6785734	5275732	6764186	6383860	7208113	6866206	5524102	4867056	6396811	7339759	5812978	5420211	7224168	8387315
Acisoga	2.396	185.12816	[M+H]+	Positive	5.68	2086289	1377079	1308237	1321976	1222932	1394516	1772650	2665809	2506383	3072903	2077629	3428643	2779522	1606329	1948274	1069801	1919313	3015101
Undecanoic Acid (C11:0)	7.635	185.15355	[M-H]-	Negative_NH4HCO3	8.67	729741	696522	1681536	1369217	1015934	492840	400692	863468	556053	1055309	742882	653401	315295	171362	407079	3074627	300426	391068
L-Tyrosine-D4	1.221	186.10623	[M+H]+	Positive	2301.62	575929599	553936605	498283317	503185258	558116267	543188496	537538847	548585430	543555564	528087017	549257002	521969244	532290131	506054090	543668484	490754283	544876266	549930379
P-Cresol Sulfate	4.838	187.00623	[M-H]-	Negative_NH4HCO3	495.27	1452962	287900	3922435	728341	791748	972568	799610	43517540	14191345	16546634	3562793	3075747	422235	6928467	8387036	4285411	59679947	14870110
Azelaic acid	1.103	187.09702	[M-H]-	Negative_NH4HCO3	32.15	2390201	1367054	2199707	2328973	2593538	2063358	692260	871487	1204177	1636738	982312	1841530	1204414	701328	615650	565354	1104327	768816
Azelate (C9-DC)	5.62	187.09729	[M-H]-	Negative_FA	186.99	57823373	35560066	48642505	56932507	66719039	50078732	29670126	30216949	36609842	49835313	31429551	44430071	32701653	26311398	25838093	24318413	33632789	31038498
3-Hydroxydecanoate	7.293	187.13292	[M-H]-	Negative_NH4HCO3	95.91	2916867	2730441	2888274	5842239	1862495	2085179	1629546	3922510	1681178	2661645	2159313	2432197	1407215	882780	3303188	1222300	1483913	2150934
10-Hydroxydecanoic acid	6.323	187.13358	[M-H]-	Negative_FA	86.62	14539975	11087179	12626230	27811731	9447676	8210530	7496767	17060122	8550421	13110205	10072394	10751161	6579080	4876309	14985443	5512138	5477473	9747319
Indoleacrylic Acid	5.714	188.07063	[M+H]+	Positive	7.43	1547412	398972	1361078	696344	1861233	1560210	79369	175394	0	52120	49611	201814	135454	143474	46259	58437	378620	235791
N1/N8-Acetylspermidine	0.893	188.17552	[M+H]+	Positive	5991.92	2767424	2375835	1315682	1234259	599035	1949231	1151843	815252	718439	1166947	757976	3059792	3174532	3580037	3042410	2558402	2712290	3230830
Catechol Sulfate	2.215	188.9855	[M-H]-	Negative_NH4HCO3	53.97	12733153	2804895	11158473	10581782	29593413	39295956	249995	41223	27250	16918	0	720764	19974	0	48894	0	50273	0
N-Acetylglutamine	1.028	189.08656	[M+H]+	Positive	12.95	4765562	3093170	7760980	5509963	7647857	5880789	3054296	2214714	3751623	3368164	2651424	3766200	3143266	1457401	1546674	3601976	3376189	2557376
Gly-Leu	3.123	189.11969	[M+H]+	Positive	8.35	1229103	1119349	940082	507754	1142280	1161349	747313	754568	1340707	1116701	1066189	851533	844696	679222	478485	1026128	987550	759510
Gly-Ile	2.864	189.12305	[M+H]+	Positive	4.96	295657	282672	302751	565062	119577	805117	195076	40438	38276	113485	92190	141488	204028	250483	347652	99510	704184	251663
N6-Acetyllysine	1.006	189.12315	[M+H]+	Positive	37.35	4778901	6393999	5802678	5245195	6190542	6411906	4127169	5678729	3943839	4926965	4337094	5180263	4784613	4394581	4897209	4992947	5385451	4499010
N6,N6,N6-Trimethyllysine	0.87	189.15948	[M+H]+	Positive	188.42	18553497	18787600	16167747	33045251	20328836	18367803	17936421	23163858	20950890	17983156	18534847	18373522	15852346	23193366	20654895	18857873	23337650	17963391
Kynurenate	3.352	190.04965	[M+H]+	Positive	8.59	7104941	2303426	3657193	2548751	4251895	4319230	1824420	5484307	2374633	3081786	1837010	4555305	997985	2031851	1152346	2024441	1152442	1082377
N-Acetylmethionine	1.761	190.05339	[M-H]-	Negative_NH4HCO3	31.7	169337	423544	1272366	1387274	1453979	954578	671174	841972	1145250	517361	925498	1857823	1525846	815161	764699	1051407	989092	554213
N-Acetylglutamate	1.207	190.07066	[M+H]+	Positive	5.4	4506372	3151429	3326562	2098373	3793847	4085249	1165222	2704543	1540533	2089733	2371174	3255288	1977423	782523	1705037	2522644	1899770	647327
3-Indolepropionic Acid	5.797	190.08588	[M+H]+	Positive	33.93	42939804	1774130	38077419	25684162	33817250	23878294	2512809	3370991	1534603	1356423	2806263	1885480	364356	3006928	6220481	605436	9866516	0
Indole-3-Methyl Acetate	6.007	190.09392	[M-H]-	Positive	4.69	364891	232767	296631	409800	576109	154731	210678	261609	485638	786134	309636	906228	448987	314000	272554	361352	388008	266806
Lactoylvaline	4.005	190.10696	[M+H]+	Positive	5.11	1403443	457349	780658	924433	794111	1099614	956811	1152019	1164884	1006905	722698	1141336	932219	497444	869482	1132590	831062	550155
Citric Acid/Isocitric Acid	0.794	191.01888	[M-H]-	Negative_NH4HCO3	2581.55	276054252	342374633	358960565	262063749	242553099	248843236	192072668	281648259	250681404	214949991	184648910	275514635	139763295	96951586	133241803	167712240	209452300	107635750
Citric Acid	1.152	191.0192	[M-H]-	Negative_FA	2555.65	2109058950	2063008361	2140842100	1747965964	1975619051	1752654718	1519820059	2257758545	1739516869	1553547693	1538247059	1819350733	1121299076	878546210	1020660684	1259881238	1431580772	925368480
Phenylacetylglycine	4.346	192.06638	[M-H]-	Negative_FA	396.29	34098436	27572353	41404531	25186045	11444103	37783605	34260871	108128851	36973168	34357912	42912210	12758211	13979814	25261710	25505407	33908620	39893341	30971451
Glucuronate	0.871	193.03415	[M-H]-	Negative_NH4HCO3	114.52	3857954	3038272	4232607	3746200	3568778	3358242	2716996	2813749	2090401	2479364	2207366	3447698	2694141	2597635	2792294	2193176	2541158	2104660
m-Cumenyl methylcarbamate	6.375	194.11778	[M+H]+	Positive	13.74	5493511	5602190	5170682	5313666	4904913	4375036	5183840	5280349	5102108	4827162	4357426	4540562	5221137	4851031	4884599	4060423	4161359	5890266
D-Gluconic Acid	0.872	195.05008	[M-H]-	Negative_NH4HCO3	844.56	29102743	29937838	30456374	33094517	31327115	29937589	16570831	17863516	14981047	20541742	12137373	30652168	13574114	14726999	10975908	11230725	12027726	9935615
4-Aminohippuric acid	2.581	195.07628	[M+H]+	Positive	3.16	1371196	402538	903677	1043156	476731	834537	383759	2560523	487305	512406	415309	733625	330358	254389	336651	337010	699017	414607
N-Acetylhistidine	0.95	196.0743	[M-H]-	Negative_FA	28.56	2263377	1982253	2400852	1728590	2608319	2879992	2103558	1870012	2435397	1252058	1761028	2378644	2539818	2434280	2159007	1884777	2529547	2407111
Cyclo(L-Val-L-Pro)	3.68	197.12822	[M+H]+	Positive	4.85	1348018	1189533	1685599	2666348	1597121	1616483	882905	865800	642970	748053	453363	432912	584656	265906	326972	475683	780162	486569
5-Dodecenoic Acid (C12:1n7)	7.665	197.15375	[M-H]-	Negative_NH4HCO3	1106.84	12636141	10968802	11954648	17393492	9370704	6598637	37681370	92876449	42881209	57776155	46415820	39537350	25940245	30909592	97402692	29938490	41225888	59838086
Dodecanoic Acid (C12:0)	7.812	199.16951	[M-H]-	Negative_NH4HCO3	18703.05	52718029	53819610	45322615	80436795	43960928	34400425	3214958876	4506671543	3870534940	3012958267	1698872448	2170184621	3638636599	1146544043	2994887007	3084883855	2221221646	2431714295
Cysteine S-sulfate	0.867	199.96829	[M-H]-	Negative_NH4HCO3	63.02	296996	620803	459006	275525	816920	552885	1343716	2530609	681927	635901	2543473	2002969	1418357	2261459	1146038	958746	3657760	1412059
Octanoylglycine	6.01	200.12863	[M-H]-	Negative_FA	689931.2	13076221	12081247	15837936	14015665	14083609	12525179	25043622	33240831	18828369	21001167	21053760	44261554	21983429	24654115	28696664	19557803	34082647	19039150
Sebacate (C10-DC)	5.871	201.11302	[M-H]-	Negative_FA	334.89	30182575	18541400	23901498	19936407	71171479	20410506	28200333	39905416	22561749	53247571	27484901	117294436	24905546	16353808	13009933	14581102	18032074	27352419
25-HYDROXYCHOLESTEROL	1.121	202.17984	[M+H]+	Positive	625854.9	3925221	4321774	3874777	4010512	4220901	4026997	3984665	4606396	4263990	4156042	3815468	4712215	4028382	3587987	3805046	3861365	4583678	4662282
Dimethylarginine (SDMA + ADMA)	0.929	203.15002	[M+H]+	Positive	35.95	5361081	4662259	5076493	4287276	3230276	5319961	4608279	6106310	5788255	4865644	5756296	4945680	4689953	5625134	4651606	4801981	5775988	5165889
Spermine	0.784	203.22231	[M+H]+	Positive	43765.23	277523	0	0	191742	84713	0	88913	390230	117669	360957	72202	59521	99474	99995	51779	0	137339	88499
Cinnamoylglycine	5.455	204.06567	[M-H]-	Negative_NH4HCO3	133.02	11036894	4618424	6916795	14724402	9548455	10840491	0	0	0	43015	19465	21224	25017	173607	0	0	24086	0
L-Acetylcarnitine	1.058	204.1225	[M+H]+	Positive	10245.62	1831765943	2179148097	1647923721	2222683393	1998828696	1777455210	1793293819	2365101035	1818261293	2252817170	2272167474	2330934203	1301303084	1970341481	1603628554	1045384595	1257192438	1425871238
L-Tryptophan	3.124	205.09673	[M+H]+	Positive	11531.82	3081121598	2413852456	2175965453	1461657627	2830404901	2856606368	2018759973	1870052197	2678539753	2120797859	2642868789	2262176417	2148123301	1990265467	1745162290	2506997136	2589891781	1850018412
Hydroxy-N6,N6,N6-Trimethyllysine	0.867	205.15419	[M+H]+	Positive	5.62	467424	343147	485892	611519	544325	563083	453685	237521	446440	212150	341294	383804	103134	283275	405954	407486	376551	267073
Xanthurenic Acid	2.936	206.04434	[M+H]+	Positive	7.55	4032913	1024295	2123770	1255782	1699823	1829711	596862	1913488	764700	1458904	969814	1668153	241352	844993	376087	1000801	555710	272903
Indolelactate	5.134	206.08095	[M+H]+	Positive	57.88	7169624	5894284	5978456	4704285	5443223	7960603	4061006	5193223	4496885	5033342	4841367	5288994	5821908	5193231	3559149	5689912	4655599	4216190
Phenylpropionylglycine	5.087	206.08214	[M-H]-	Negative_FA	22538.46	9690376	8272513	11013900	9901568	11633533	13219618	7023478	8190958	6202303	5449901	4682712	9774629	9594368	9086152	10302865	17616630	9249053	8276779
N-Acetylphenylalanine	5.086	206.08221	[M-H]-	Negative_FA	111348.9	9702628	8302927	11077854	9646840	11597010	13101159	7051934	8299715	6251017	5472647	4920700	9933260	9656734	9196255	10383227	17799529	9288412	8311707
Phenylalanine betaine	2.312	208.13284	[M+H]+	Positive	10433.02	163330	40026	263959	231350	128862	31117	0	0	0	0	0	0	0	0	0	0	0	0
L-Kynurenine	1.87	209.09174	[M+H]+	Positive	135.22	27885673	25792131	21444509	16262797	23855886	25831303	25692725	26480641	22772026	19573441	15447741	26300564	15277458	27900270	42130189	48205976	49465722	16251579
3-Indoxyl Sulfate	3.117	212.00159	[M-H]-	Negative_NH4HCO3	893.87	55643395	27407168	74823952	66215563	54675864	49308043	14045634	45142247	11167189	14228440	15611552	42410681	12590957	19828970	31580611	40574146	30675888	19305980
5-Hydroxyindole Sulfate	3.373	212.00226	[M-H]-	Negative_FA	228.15	288168279	135160513	326838452	303307543	271227799	226000348	72072353	213160429	62391833	82925464	88956503	208609143	61679092	100545361	170454219	202677126	124855699	105479489
Creatine phosphate	0.999	212.04277	[M+H]+	Positive	10.22	111407	210877	115969	752014	0	465039	89281	0	549098	1174336	86732	587058	1968627	1630045	852052	1923670	1913262	2305901
3-Methoxytyrosine	1.397	212.09148	[M+H]+	Positive	7.67	1080689	1048730	1946791	1112871	1552511	1158698	647735	769436	767946	826196	753752	196843	561305	470435	419794	648007	764182	524241
1,3-Diphenylguanidine	4.896	212.12526	[M+H]+	Positive	56.86	27220146	22338097	28909836	24479834	49293023	18534770	24194490	48507931	28571650	24774886	27268741	55169479	22718694	26464768	24459888	21460879	20955789	27331372
Glycerophosphoethanolamine	0.89	214.04355	[M-H]-	Negative_NH4HCO3	11.99	438707	319610	629200	703524	350918	310987	495346	544728	617745	621806	368140	559833	321274	204807	309338	126473	515767	623227
Undecanedioate (C11-DC)	6.073	215.12914	[M-H]-	Negative_FA	44.09	6354844	4693036	4475868	11279429	6773900	5132864	4358525	5213758	5094919	4919136	4701464	5566536	3718694	3715802	4035779	3272606	3663499	3437179
3-Hydroxylaurate	7.621	215.16484	[M-H]-	Negative_NH4HCO3	192.91	3524329	3353923	3133338	8709551	2306383	2314691	2715982	6482538	1886735	3874426	2533991	3680171	2354891	1199642	5198278	1595384	2140412	2600460
OMEGA-HYDROXYDODECANOIC ACID	6.608	215.16547	[M-H]-	Negative_FA	50092.48	11974694	11288359	10689354	26269791	9574006	6978659	8560658	25263012	8190931	13786458	9063003	11453534	7040658	6094117	18510242	5659147	6723799	11740455
Tyramine O-Sulfate	0.943	216.03587	[M-H]-	Negative_FA	1719.13	145698720	113837306	145209434	126148158	166590816	142294472	132632616	128567759	137502785	146779068	144445208	150286685	138266409	116054723	103440592	135583460	137489172	113839868
N-Acetylarginine	0.993	217.12953	[M+H]+	Positive	5.39	829029	884616	755504	785172	774319	899174	268729	117431	310705	427105	219144	350748	348296	144141	465238	554102	528292	201452
N-Acetylcitrulline	1.136	218.11343	[M+H]+	Positive	1592857	1168927	1124293	1154543	536465	1234937	956451	1356637	1118406	712708	368500	880785	1267500	470279	832144	1706939	1887691	852443	555219
Propionylcarnitine	1.425	218.1386	[M+H]+	Positive	291486.6	105886369	96881569	135110048	91989151	167098338	160631434	108193537	70064206	73844359	82422768	57419844	136151206	145936649	171317223	128425143	121890862	118032320	81897663
Gamma-Glutamylalanine	1.018	219.09717	[M+H]+	Positive	38.19	11352833	6933566	11679782	5586949	11998741	11150926	7440448	5723195	6971871	6294455	4869353	7261066	8717387	4572877	4294727	8673671	9909392	7055049
Pantothenate	2.122	220.11786	[M+H]+	Positive	66821.72	19846498	17565344	22474338	21014665	27096823	27409328	22709005	17747831	12291823	14383039	28353234	21918190	23139357	19559195	21406449	22671086	26471174	21943494
5-Hydroxy-L-Tryptophan	1.71	221.08948	[M+H]+	Positive	17.53	1537512	1102587	922881	494570	374750	592533	1263307	1012084	729053	414257	845594	660794	1134425	1252020	1235951	869082	1213725	407376
Propionylcarnitine-D3	1.424	221.15739	[M+H]+	Positive	672.93	73839619	84875731	83062238	79695712	73550158	84664890	85332084	74537934	81207557	78157845	78971395	76878014	80675825	92714861	76996089	81182387	80900681	101344477
N-Acetyl-L-Tyrosine	1.494	222.07635	[M-H]-	Negative_NH4HCO3	29.76	800094	592517	684560	1157063	961428	699019	1421813	846007	1168198	632565	481998	612780	972213	298069	361955	1607576	1262083	488000
N-Acetyl-D-Glucosamine	0.972	222.09706	[M+H]+	Positive	0	0	269343	198178	0	193351	179937	0	230582	148611	207167	571044	267343	0	0	0	0	113203	166463
Tetradecadienoate (14:2)	7.713	223.16951	[M-H]-	Negative_NH4HCO3	266.02	8393141	4233802	8528475	6886070	15712233	2961777	3771494	3921033	2525425	12943492	2886818	13304084	4474151	1590684	3116048	2181822	2583058	7566914
Myo-Inositol	0.948	225.06104	[M-H]-	Negative_NH4HCO3	143.13	6916253	3918301	5009175	4055252	6589297	5496455	6005585	4227346	10620749	10510275	6044822	6501821	5373471	5337425	3364720	8262283	4736713	7562340
3-Hydroxy-l-kynurenine	1.211	225.08606	[M+H]+	Positive	775673	952032	1285971	1164072	873325	1462172	747662	605786	1447520	693206	575127	1351184	942859	821211	645881	1930271	1812525	219388	1317336
Myristoleic Acid (C14:1n5)	7.904	225.18547	[M-H]-	Negative_NH4HCO3	6866.77	75582541	63945661	56316745	131285315	39750111	36805347	178360215	350774329	224658260	236978344	186613715	193035788	144324956	133312406	497095877	152183183	184228335	254307200
Dicyclohexylurea	6.288	225.19597	[M+H]+	Positive	20.07	1639774	1515270	2037391	2088343	1719178	1525514	3139154	1688360	1988241	1432269	1787656	1237141	1415210	1587664	1300691	1471920	1233957	1499327
Vitamin K1	6.131	226.17979	[M+H]+	Positive	28.12	6330174	6571020	8367171	7485345	6148612	5003162	7246689	6914340	6002667	6565633	5075737	4343662	5767856	7776439	5234825	4525744	4604007	5028992
2'-Deoxyuridine	1.378	227.06648	[M-H]-	Negative_NH4HCO3	74.17	2322675	2149535	3104091	2606140	2414106	2445978	1710271	2598522	2234511	2792683	2148197	3391549	1371229	1731923	1511579	1116022	2100143	2806902
Traumatic Acid	6.313	227.12915	[M-H]-	Negative_FA	7581.45	1492144	1784056	1392008	3098196	1602753	1376534	1532171	1286649	2248808	1821868	1512790	1728456	2414802	1488119	2797048	1856859	3625880	1660336
Myristic Acid (C14:0)	8.102	227.20117	[M-H]-	Negative_NH4HCO3	14978.75	404951308	432799013	343240585	669498236	309510477	310727179	1810872017	2867802867	2471099971	2048560532	1160397919	1405119481	1530793559	727832510	2154415107	1339525620	1000902991	1382568890
Deoxycytidine	0.991	228.0976	[M+H]+	Positive	5769.94	940124	716327	1327594	1371347	901684	1034158	1174571	2041741	1138643	1036573	1056657	1821091	799143	1631801	1534047	987564	1641667	1897994
D-Ribulose 5-Phosphate	0.836	229.01085	[M-H]-	Negative_NH4HCO3	45.76	105947	268408	369305	635208	46687	577520	46296	91373	445184	601144	65972	833498	1913017	407727	3130735	2134533	6568349	1352759
Pro-Hydroxy-Pro	0.969	229.11766	[M+H]+	Positive	38.76	2968613	1361377	2669418	3064416	1957986	1850135	1858089	3572412	3407330	2308059	2722328	4872554	3118070	3805972	3019023	2361582	2918792	2329843
Dodecanedioic acid	5.308	229.14397	[M-H]-	Negative_NH4HCO3	83.34	57183	0	21584	171435	22836	35394	4752069	7787274	4899365	4314776	4655713	5644304	3014171	1921745	3260922	2792464	2753865	2280613
Dodecanedioate (C12-DC)	6.218	229.14468	[M-H]-	Negative_FA	421.44	7579573	6882686	5666627	8914703	13238251	8672561	47761383	71853461	51382200	45827512	49231080	47554795	29974012	23198385	33492032	29881492	22608907	24713528
L-Prolyl-L-isoleucine	1.338	229.15443	[M+Li]+	Positive	147.79	18271471	17691290	16984407	19279631	19021949	20861152	20265259	24811982	19554285	19455059	18957431	27274132	19898711	19367761	19531133	24798787	21896485	17291879
Ergothioneine	0.961	230.09543	[M+H]+	Positive	0	2564013	2430009	3024626	3097133	1885208	384496	119867	0	0	0	0	0	0	0	0	323730	0	0
N,N-Dimethyldodecylamine N-Oxide	6.785	230.2476	[M+H]+	Positive	1738101	52955477	47802976	37517992	46588657	41571775	33432129	38521002	33791306	39371444	41985050	29918508	29572917	31782462	30257895	34286760	30810280	29433955	38798057
Isobutyrylcarnitine (C4)	2.476	232.15414	[M+H]+	Positive	117653.5	20383785	20568860	25990441	16069744	28796805	28882399	19226454	23855136	11682590	13997419	14008519	21655486	15331988	13364900	12863673	17598669	13849727	13250074
Butyrylcarnitine	2.663	232.15422	[M+H]+	Positive	686.32	123481774	142808697	126526299	112367839	152035150	170643544	152422899	147325984	174607844	117534138	105911573	197017437	134164962	118967713	146278842	146926386	112312350	95122289
Formylkynurenine	1.813	237.08661	[M+H]+	Positive	5.83	536724	401389	408594	1081870	1254749	493199	482110	571734	538508	368615	581183	500019	590690	924304	324507	840541	483111	668883
Lactoylphenylalanine	5.307	238.10672	[M+H]+	Positive	60702.96	1518815	724930	1366759	1545727	1168045	1650069	1126839	1015982	1379413	1049172	834029	1832337	1065592	949568	1325893	1539480	1101996	1050599
Cystine	0.931	239.01425	[M-H]-	Negative_NH4HCO3	10.34	546295	341524	432112	410301	190459	517680	292628	273364	413035	556075	380473	769321	411890	209803	504375	335348	310916	263845
L-Homocarnosine	0.84	239.11476	[M-H]-	Negative_FA	4.06	563633	367602	277129	399718	464376	450657	620108	759411	417177	682542	446906	703570	461222	312207	473852	265299	630577	525182
Pentadecenoic Acid (C15:1n5)	8.042	239.20122	[M-H]-	Negative_NH4HCO3	105.44	4011957	3444134	3714377	4846357	2778950	2703095	2977893	4352734	4117436	3781573	2879628	2812764	1475813	1213950	3541074	1409872	1780184	1820404
7,8-Dihydrobiopterin	1.103	240.10864	[M+H]+	Positive	27054.88	2459212	2799999	1751289	1381936	1796129	2146480	2073399	2389204	1491805	1902064	1801927	2949370	1564545	1199482	1451922	1701234	1668762	1444440
Thymidine	1.578	241.08311	[M-H]-	Negative_FA	129.14	14474250	11482190	13479558	14835008	12810297	14988835	22034574	16951300	16025439	19759163	14764238	19952756	9396687	13445256	8994612	9076355	10534583	22291788
Anserine	0.845	241.12918	[M+H]+	Positive	18.48	2449039	1491000	1435253	1843456	1541691	1633237	2055356	2531428	2481094	3248701	2261028	2510762	1865692	1537457	2161760	1461761	2439389	1936923
N,N-Dimethyl-Proline-Proline Betaine	1.215	241.15407	[M+H]+	Positive	45.76	18856918	18927608	18279039	21445606	17021298	18417122	18854067	24997044	23387162	23357144	20256275	21730014	19538333	19997028	20457315	19133177	21678187	14192500
Pentadecanoic Acid (C15:0)	8.215	241.21678	[M-H]-	Negative_NH4HCO3	183.61	8752819	5994072	10403139	11863839	6482262	5695609	11094409	14648436	16715598	17469375	7728576	6759368	5264374	4049358	9483589	5783974	5242908	5644688
Cytidine	1.129	242.07756	[M-H]-	Negative_NH4HCO3	78.45	1044893	2498773	2824351	3395779	2061300	1672146	2902841	4072712	2308541	2351857	3311763	4090604	2396883	2298127	2717540	1808286	3297351	2336894
Pseudouridine	1.03	243.06125	[M-H]-	Negative_NH4HCO3	126.12	3649161	3390320	4010405	3637406	3230626	3359304	3092298	4372693	3356462	3430844	2953280	3977265	3046047	3531545	3910856	3179847	4864026	3253632
Uridine	1.212	243.06143	[M-H]-	Negative_NH4HCO3	117.96	3828064	3573138	2902197	2050661	3633620	1830829	2060068	1352866	7572442	5604257	3375700	3362641	1102351	632568	1482316	506756	4671069	3148220
Lumichrome	5.555	243.08734	[M+H]+	Positive	19.08	2508192	2279185	1866199	1753955	1979257	2003714	1989932	2079996	1546384	1965185	1521094	1958099	1741066	2378996	2097203	2422504	1867335	2947613
Tridecanedioic acid	6.354	243.16069	[M-H]-	Negative_FA	4372.75	5056279	4244980	5523026	8301114	5541504	6089593	3278455	3952767	2747375	4053704	2784416	3637493	2718418	2573793	3010616	2075297	2492742	2399363
2-Hydroxymyristate	7.89	243.19595	[M-H]-	Negative_NH4HCO3	221.26	3168187	3332806	2866830	6733386	2493888	2164343	4072517	10217201	6003597	4022289	3268119	6738553	5210030	2918546	8298441	3894497	4358715	2416209
4-Hydroxychlorothalonil	7.183	244.9073	[M-H]-	Negative_NH4HCO3	39.6	775549	743155	868085	931191	762102	746311	1732833	1571392	1739274	2004575	2100014	2417500	1956317	1330054	1779275	2180619	2707178	1325641
Glycerophosphoglycerol	0.872	245.05199	[M-H]-	Negative_NH4HCO3	23.79	110968	469841	474172	288179	327196	286697	311399	369581	527721	435489	371052	675990	86547	220555	310770	209369	143359	293275
N-Acetyltryptophan	5.168	245.09337	[M-H]-	Negative_FA	67887.75	19221530	16832022	12149110	10531252	16487504	19310340	11276205	15016067	12683475	11938071	10812958	19200068	7975207	9618912	7107769	7277150	7210631	6476861
Ile-Leu	4.665	245.18581	[M+H]+	Positive	54171.93	420521	359128	249803	446473	386945	554344	278268	256848	153869	263621	298817	213765	354501	768991	554707	419166	447832	492895
2-Methylbutyrylcarnitine (C5)	3.846	246.16986	[M+H]+	Positive	1368074	18610400	14028359	31720396	10230254	18981120	22200708	12701414	20214244	12200455	19201373	14407744	13407377	12384591	9628579	8183575	12287185	11079171	13188520
Isovalerylcarnitine (C5)	3.975	246.16998	[M+H]+	Positive	2365073	26641538	22876515	25448133	22712218	30120296	32884239	18052594	32275536	17397179	22112965	20647790	25621759	22695047	21216510	16485433	22657453	20766538	18678976
Valerylcarnitine (C5)	4.11	246.17004	[M+H]+	Positive	262780.2	2624861	3040532	2106600	3041195	3047430	2643335	2596937	2342379	1969416	2085284	1789380	2006254	1080006	1671258	1434085	972291	1405690	1213203
5,6-Dihydrouridine	1.004	247.0923	[M+H]+	Positive	52173.88	1144442	1113557	1136706	1024108	671917	680724	606334	953221	1116121	1025720	1071649	833065	997067	923862	788354	885945	1367498	1143945
Gamma-Glutamylvaline	1.837	247.12863	[M+H]+	Positive	53.12	42349165	20987959	38341050	36207400	32562158	24154969	19913239	22084136	20110051	21421938	15921855	18418128	20782411	14266727	17985810	20949753	21433868	16944912
Pyridoxal 5'-Phosphate	1.297	248.03741	[M+H]+	Positive	54016.41	292200	187775	177317	195334	178838	240360	226220	249605	344985	252152	176478	250369	286637	193569	269503	301705	294214	393291
3-Hydroxybutyrylcarnitine	1.22	248.14915	[M+H]+	Positive	687834.7	47300256	50264321	42178758	53049600	52158169	45128611	39424318	67370251	41083011	56623811	67933671	72662331	32385400	45719087	39394085	29913952	33761975	30138611
Gamma-Glutamylthreonine	0.981	249.10834	[M+H]+	Positive	23.26	2578918	1835153	3949821	2490490	2744882	2057984	2945477	2014975	1847847	2419911	1748577	1668749	2386079	1197588	1199706	1778366	1859325	1747688
Gamma-Glutamyl-Cysteine	1.221	251.06371	[M+H]+	Positive	82.2	7330263	5567362	6629697	5703157	6274876	5748851	7780016	8361378	7953163	9348802	7520775	7624455	4424099	6001604	4678449	3024502	4477223	10070310
Hexadecadienoate (16:2n6)	8.024	251.20107	[M-H]-	Negative_NH4HCO3	881.81	82745489	60032337	70933616	88358649	53470284	41413395	16409949	26051033	25719817	20488932	13769491	17459098	8253913	6752388	13120940	6400149	7261565	12159722
Ser-Phe	1.698	253.11566	[M+H]+	Positive	5.36	836208	617832	606792	530014	637461	856013	444988	478217	242433	209331	270062	379282	212899	410076	578973	349753	271588	295134
Palmitoleic Acid (C16:1)	8.183	253.21687	[M-H]-	Negative_NH4HCO3	36126.99	2091899699	1736837296	1989516793	2975159941	1402151843	1486742289	1700570382	2252363247	2430035959	1969689173	1763782744	1680369965	947767338	915529343	2408447972	946039173	963446854	1515884148
Daidzein	5.62	255.05756	[M+H]+	Positive	2108.79	1143870	362806	1444907	845839	974362	762039	198465	482840	480718	715188	374005	539243	415935	242237	338968	256296	475257	260022
Palmitic Acid (C16:0)	8.443	255.23256	[M-H]-	Negative_NH4HCO3	24099.59	5695313785	5683119838	5803464415	7861135442	5881039618	5322957661	4829105570	5505474058	6036873970	6005124066	4410179331	4848638725	3406852411	2522447163	5055546336	3194929106	3073730720	3311449125
N-Acetylglucosamine	0.953	256.05927	[M+Cl]-	Negative_FA	832638.8	5031242	3970800	4905725	5757779	4496201	4218562	5310386	10477557	5628050	6235880	5864002	6486426	4488387	3887580	4627386	3601070	3976235	6073300
Lauroylglycine	6.692	256.19186	[M-H]-	Negative_FA	635204.9	101614	166758	158823	657179	95307	0	952297	797949	558562	402831	192277	225525	568169	149817	353725	202163	805979	224041
Palmitamide	7.367	256.26315	[M+H]+	Positive	431.08	56529555	53595246	62912558	58261524	58202095	56703172	52890427	57264298	53991476	57043897	56737152	53902620	54414467	56843848	57217954	55087161	54296879	55025015
Tetradecanedioate (C14-DC)	6.458	257.17603	[M-H]-	Negative_FA	733729.8	9004922	8113271	8314984	13564882	10264956	10810390	14818100	24834342	13535854	12048124	12850859	16405860	10869378	6742599	10606968	7361697	8312562	8517977
Glucosamine 6-Phosphate	0.863	258.03802	[M-H]-	Negative_NH4HCO3	16.34	307993	393412	322037	805798	208428	134417	254849	623094	812611	805978	558896	512589	449854	37537	229317	291165	117895	194389
2-Methylcytidine	1.2	258.10818	[M+H]+	Positive	105328.5	3600333	3322993	2770462	3536378	3233093	2701679	4356483	3439495	3832944	3803936	2478852	3181332	2155865	1830093	2246062	1674843	2230282	1819278
Glycerophosphorylcholine	0.951	258.10995	[M]+	Positive	439666	22349113	19979878	24168918	20925125	20046244	17777681	20241861	18260048	31316186	27729488	17018215	16287241	15181503	9867343	14666807	14011946	9771116	17399245
Glucose 6-Phosphate/Fructose 6-Phosphate	0.824	259.02213	[M-H]-	Negative_NH4HCO3	253.34	10072343	13260037	7343272	38080210	6895928	10257963	8042610	6751692	20131401	17449769	10078728	14564890	15070994	5834240	12987254	16913787	24110402	20045313
Phosphotyrosine	0.993	260.02347	[M-H]-	Negative_NH4HCO3	4423.65	996752	883663	732494	1567406	692170	642398	1406667	1546663	1622917	1097202	882958	1229343	756552	421467	729620	818591	708943	757690
Tyrosine O-sulfate	1.207	260.0238	[M-H]-	Negative_FA	1334042	10536312	8378723	8916456	15224549	7323456	6434138	14250005	18986475	16424442	11900149	9554586	12261252	8472152	5525539	7973469	7988542	9676362	10168053
Hexanoylcarnitine	5.246	260.18533	[M+H]+	Positive	5993944	21499279	34413186	15905377	44279549	23233258	19850797	29504272	52810485	17874122	41382701	27515996	34900937	15354160	17010779	20969625	13973304	16746758	14131240
Gamma-Glutamylleucine	3.545	261.14413	[M+H]+	Positive	83.76	93047789	47169120	84388014	84201875	89056769	67886638	43210069	44374879	48190886	42439913	42832326	41953785	44953424	32495457	37991232	50351979	63865266	43688634
Gamma-Glutamylisoleucine	3.309	261.14432	[M+H]+	Positive	19.11	19608335	12011461	18143807	17466238	19446501	14800527	11324341	11499198	11110045	11085539	9695253	9648573	10117270	7651117	8424766	10744275	13241254	8123487
Methylmalonylcarnitine	1.1	262.12796	[M+H]+	Positive	19.86	8938518	2622096	8252695	11306960	3545705	6661370	6235192	7526194	3577115	6640576	6323429	6702081	10958111	4880689	3476305	12086631	11087725	7124159
3-Hydroxyisovalerylcarnitine	1.472	262.16437	[M+H]+	Positive	84.66	11242806	17788555	13381329	14785932	14838738	19844531	16933513	28178452	16359479	18338802	13773376	28179782	12785487	19473444	12842445	12105721	9561028	10442337
Ile-Met	3.545	263.1488	[M+H]+	Positive	4.86	915219	390082	854170	769580	924487	706905	372861	504285	424562	342327	369255	388626	351371	166738	389921	557355	712095	442613
Lauryl sulfate	7.908	265.14764	[M-H]-	Negative_NH4HCO3	616.36	13683448	9294290	11130840	65319435	16354188	11448100	10814535	7533923	9479476	8607457	8739200	9103574	8974320	6703525	9026131	6329648	10841799	8504631
Adenosine	1.207	268.1033	[M+H]+	Positive	83178.41	669416	418671	481413	367460	652643	386589	723189	601537	387996	582857	411431	490550	817757	567014	858751	812042	874670	840935
Metoprolol acid	3.795	268.15182	[M+H]+	Positive	1158799	363009	652443	753815	317895	310718	494975	168378	371972	161568	469777	244142	1434356	5735393	5244387	4895730	9807722	18692572	6587462
Phenol Glucuronide	3.588	269.06726	[M-H]-	Negative_FA	38.24	1487614	5099930	5085346	1299079	1604753	3261896	4626666	185766	0	254654	2396986	0	0	0	0	0	0	0
Retinol (Vitamin A)	7.316	269.22614	[M+H-H2O]+	Positive	124.99	24147328	13698439	21819721	14660920	17898684	13198057	19586257	14131350	25472919	17278938	18409165	14192200	12737675	8168054	19984962	12315642	18393996	9241490
Heptadecanoic Acid (C17:0)	8.692	269.24829	[M-H]-	Negative_NH4HCO3	742.06	90139827	72914310	76302368	124705064	86722145	76533968	47124539	46020049	60702170	70363333	39220658	36635758	25759469	16694928	37238009	26023266	21873576	22863975
16-Hydroxyhexadecanoic acid	7.683	271.22739	[M-H]-	Negative_NH4HCO3	720.15	17807604	22529462	17756113	43179860	15677094	24292684	16522521	36187996	30172589	27421113	17073362	36031529	15813049	11788540	9913501	6581411	8782228	29707872
2-Hydroxypalmitate	7.845	271.2276	[M-H]-	Negative_NH4HCO3	171.14	9800949	6578554	9255641	16377064	9767672	16504346	1459180	2903049	1668743	1609108	1199008	1687932	1120497	1109332	2814019	1379295	1137816	773840
Glu-Gln	0.865	274.10391	[M-H]-	Negative_NH4HCO3	94.05	5153350	2657094	4040777	812144	2876739	4448627	1980742	1064873	2759027	1870112	1372836	1810010	3023754	2210090	1359026	2558411	2642568	2693755
Lauryl diethanolamine	6.723	274.27356	[M+H]+	Positive	12733160	216880807	194399578	154607973	196974801	191055029	122017493	154116392	121746491	169027957	153936405	106387102	133408238	115136291	124084951	137551767	138976555	111045135	189266731
6-Phosphogluconic Acid	0.825	275.0213	[M-H]-	Negative_NH4HCO3	34282.63	3068169	2838297	5260244	3724352	3962805	4265506	2015283	2235900	2122204	3290123	2458379	4720093	1455072	43083	1223063	911402	2360284	538854
Gamma-Glutamylglutamine	0.961	276.11914	[M+H]+	Positive	247646.7	3828927	1993287	3171930	789421	1929390	3475902	1357306	592816	2317664	1922737	1142262	1825041	1896673	2671246	897213	2233884	2607078	2505720
Glutarylcarnitine (C5-DC)	1.427	276.14401	[M+H]+	Positive	523360.8	27001910	9315587	27394073	32485929	7452506	6943359	5421780	4360749	9549125	22481058	5909487	12935386	27970502	5430578	2694968	24487156	27686551	8262908
Gamma-Glutamylglutamate	0.982	277.10226	[M+H]+	Positive	100563.3	1077386	684276	1155243	1668225	1769087	741903	905133	881710	1017952	945138	862617	696685	281192	172251	0	121414	600098	182078
Alpha/Gamma-Linolenic Acid (C18:3n3 or n6)	8.131	277.21667	[M-H]-	Negative_NH4HCO3	9573.24	968586977	793084740	958906806	1087768448	722916391	761664038	410446229	500477685	608718002	505423214	297773763	374642771	258984009	136737127	330112356	222719156	176374900	237012993
Terbucarb	6.442	278.20886	[M+H]+	Positive	152003.1	1137314	872816	926291	762138	687320	731743	853671	1086823	1098512	376223	502117	821122	713915	333829	805402	609726	672361	670309
Gamma-Glutamylmethionine	1.848	279.10065	[M+H]+	Positive	22.9	7584929	3213078	2886478	1315737	3019266	5128985	2698974	1561542	2093965	2383805	1058546	1677078	5748668	5040163	1229424	6480406	3405111	5801810
Phe-Leu	5.118	279.17032	[M+H]+	Positive	8.56	286525	123765	0	271988	81203	236562	80220	113201	70572	0	45531	110492	186629	0	221345	250157	779104	97311
12-HHTrE	7.592	279.19794	[M-H]-	Negative_NH4HCO3	367.86	8672771	14685322	10836526	11253710	18574373	12997772	16082632	32040292	35829614	37338822	32098418	43558376	19897538	7616005	12056762	11692067	27139328	9367254
Linoleic Acid (C18:2n6)	8.292	279.23279	[M-H]-	Negative_NH4HCO3	77545.81	7543325082	7491930000	8043797275	9155554735	7204365417	7047158540	4531793067	5163845239	5817657696	5105345796	3463265164	4108314894	2962704750	2139550859	3689080235	2645425726	2291240702	3118487916
Oleic Acid (C18:1)	8.534	281.24847	[M-H]-	Negative_NH4HCO3	73184.36	6364346356	5856439721	6807319721	7920934965	5371250339	5820656208	4933810607	5612876634	6905939320	5465123990	4194330924	5059688388	3463677736	2438382131	5774509953	3202998999	2545928107	3514442585
N1-Methyladenosine	0.978	282.11963	[M+H]+	Positive	278047.9	1104278	1127359	1202158	914144	536623	954272	1170904	1839272	1673051	2285373	1173711	1296990	1437586	915128	1081495	1830043	1483379	1763532
9-Octadecenamide	7.416	282.27887	[M+H]+	Positive	994627.1	325078092	324006892	396319923	337918731	334326209	333395581	276930316	296141773	299440519	287197576	274179255	308292573	327805828	269714629	307910660	268478372	298155988	288170232
P-Cresol Glucuronide	4.814	283.08316	[M-H]-	Negative_FA	1867597	575106	694188	4137950	898177	434330	731083	1247482	27089955	10294994	25580244	1438136	1052207	92163	3008333	2722365	1825818	19486597	10304074
Stearic Acid (C18:0)	9.025	283.26407	[M-H]-	Negative_NH4HCO3	16212.27	2577803971	2608000598	2498585861	3491893109	2748869099	2148431504	3253528402	3570233620	3785988559	3932279542	2926964722	3045778461	2331214342	1464749594	2763205340	2228873913	2044761506	1840563907
Stearamide	7.76	284.29462	[M+H]+	Positive	255613.3	11194340	7855052	9275945	12327794	11618731	9785223	9726575	14052313	10081046	10020701	9538269	9697369	9051150	10141337	11433293	8685552	7051595	10133087
Xanthosine	1.289	285.07635	[M+H]+	Positive	355590.1	2936964	3401746	2880011	2393595	1996631	1577587	3514455	1376927	3502509	1554639	3086135	1714101	1384891	1623650	2062516	1210687	1568156	1279393
Hexadecanedioate (C16-DC)	6.667	285.20758	[M-H]-	Negative_FA	96206.99	11222469	10971877	13517367	16151960	10822719	11020101	12151768	18991511	14310013	12190741	10241523	13335890	10020756	5996338	8713210	7194613	7909457	6421744
Octenoylcarnitine	5.796	286.20099	[M+H]+	Positive	149860.6	1346747	1746021	1343980	1765634	1460379	1580700	3327273	5249825	1734701	3601118	1903605	3333112	1458778	1866962	1478424	1273530	1779609	1382329
Octanoylcarnitine	6.039	288.21664	[M+H]+	Positive	240480.5	4003653	5601172	3320117	7246542	3529985	4154186	4697602	10568073	2990947	5964935	4214765	5573719	3748238	3701515	4335841	3130305	3946061	2045925
Lauryl diethanolamide	6.747	288.25314	[M+H]+	Positive	159403.2	1856689	1612680	1313135	1204797	1187776	1532093	1076474	1438483	1187700	1252366	1418783	1354341	1481535	1350069	1652406	1429062	1136410	1632188
Sedoheptulose 7-Phosphate	0.826	289.03244	[M-H]-	Negative_NH4HCO3	23987.57	1102710	1553249	1224395	1912478	684638	1591797	710059	861634	2000410	1940875	808155	2014235	1862474	271040	2102551	1295434	2421303	910993
Ophthalmate	1.144	290.13477	[M+H]+	Positive	143968.7	3452609	721068	6536561	4940424	1637113	448893	833808	1404169	1084339	1464229	291993	1788881	757980	392917	901686	1503533	1221208	1017042
6-Gingerol	7.373	293.17575	[M-H]-	Negative_NH4HCO3	1046.64	56757295	60801927	59625112	57742109	61080675	58271344	53671970	53381553	51976799	52696221	53916236	56129269	54343190	51607410	54169490	48224262	60148539	51323592
13-HODE + 9-HODE	7.648	293.21194	[M-H]1-	Negative_NH4HCO3	42.71	3615497	4065216	4922351	7359762	3725455	4021912	1643822	2596322	1646834	1360272	877783	1294181	1310767	457482	1173021	1302583	986106	1085688
Gamma-Glutamylphenylalanine	3.794	295.12863	[M+H]+	Positive	441911.9	40529761	24664611	37112449	34001363	41373543	33113497	18490467	17525276	17395235	18396254	17215892	17909404	21934178	16514787	16738563	25712119	24138456	23424725
9-HODE	6.732	295.22791	[M-H]1-	Negative_FA	265934.9	130613686	148666940	153911505	221738661	117811093	128723855	66950933	101215185	75196479	63621602	41947779	52929371	37916804	26727129	35557272	31149545	33635675	43953533
2-Hydroxyoleate	7.917	297.24307	[M-H]-	Negative_NH4HCO3	23.56	1311800	838330	964551	3868866	9453880	2454074	600729	599623	755194	464598	560649	573447	730788	301702	601949	425085	637967	427048
Ricinoleic Acid	7.807	297.24307	[M-H]-	Negative_NH4HCO3	635.38	69513927	63049531	98838637	94722069	64641530	83731677	15816558	33355307	19975852	17834135	16242733	19415219	13906722	11870537	15536570	11840197	12095667	12486251
(9Z,12R)-12-Hydroxyoctadec-9-enoic acid	6.831	297.24356	[M-H]-	Negative_FA	311.72	92423923	66745136	105252344	90412291	83850239	95231886	18910125	45989718	26102520	23972858	17217516	24134526	15642209	16026252	21663302	14048304	12980534	19330834
Cysteinylglycine Disulfide	0.891	298.06406	[M+K]+	Positive	76194.01	934903	411288	904708	931415	892667	674182	616576	900670	838421	1153311	530362	847417	537297	274005	639100	572897	548547	273998
5-Methylthioadenosine (MTA)	2.964	298.09662	[M+H]+	Positive	65570.51	1092712	909149	1052088	419859	814907	873227	1082100	1076565	837243	1218856	941486	1684380	1485019	1370949	1166808	1276656	1444787	1211667
7-Methylguanosine	1.333	298.11417	[M+K]+	Positive	4120.18	1275630	993852	957116	1081734	798526	1219046	957601	1618545	1158305	1314427	1155531	1401964	964817	905503	796817	1218148	1129555	1141007
Palmitoleoyl ethanolamide	6.838	298.27386	[M+H]+	Positive	1425119	17362562	18592436	19569811	17776264	19183743	17211454	18596177	17775654	20299421	19597412	18489719	18816571	16843374	17989940	17437936	18209656	16551575	20969809
Perfluorobutane Sulfonic Acid	7.045	298.94382	[M-H]-	Negative_NH4HCO3	1153017	13260411	17529216	15020167	16833128	15238425	15214288	12376744	11813432	14083580	11723277	12008521	14266992	14851389	12586916	8217008	8071593	10160935	8327527
2-Hydroxystearate	7.993	299.259	[M-H]-	Negative_NH4HCO3	54.95	1615389	4705097	1555241	2771343	1504566	1558964	1633453	2114473	1463038	1171521	1034004	2556507	1018086	851247	2141423	1128605	1112948	781412
Palmitoyl ethanolamide	7.531	300.28922	[M+H]+	Positive	566988.1	12555873	13140637	17373280	18512407	11964861	15605671	19437183	24446609	18711504	20411926	10198034	15117251	9718279	11872335	11611942	12056633	17576352	17026884
Sphingosine	7.531	300.28922	[M+H]+	Positive	6810493	13140637	17373280	18512407	22427110	15605671	19437183	39166699	18711504	20411926	10198034	15117251	14108272	11872335	10450877	12056633	17576352	17026884	14299709
Eicosapentaenoic Acid (C20:5n3 EPA)	8.133	301.2168	[M-H]-	Negative_NH4HCO3	3858.34	360835301	270638140	281149091	208496021	264211953	267094720	59018616	42782434	105920643	79913489	58067720	74007659	54586734	26457523	65644036	60358635	22734219	37951485
12-HETE	6.8	303.23145	[M+H-H2O]+	Positive	45625170	442707450	575815695	492440731	589003161	477362745	363807519	411018028	573644085	741412938	545271352	547124800	490103522	440781352	281817356	390633829	406637333	411244111	364262119
Arachidonic Acid (C20:4n6)	8.297	303.2327	[M-H]-	Negative_NH4HCO3	21831.04	1910412591	1682296204	1670844175	1164978129	1428668563	1315862858	883637936	717352581	1427519274	1233274277	1008102502	1095971377	879536496	611630186	1225476536	888805777	583326894	727625908
Monoerucin	8.199	303.30466	[M+H]+	Positive	208210.5	0	331114	228164	193736	106419	249971	820630	474997	0	511240	88191	434235	921326	152611	1008748	116611	0	0
Asp-Gly-Leu	3.188	304.14996	[M+H]+	Positive	138716.3	1092622	1660228	1153703	1245791	1783399	1758300	930810	948438	668290	1032988	732560	864504	381502	551698	751924	508336	663495	486414
Benzyldodecyldimethylammonium	7.012	304.29996	[M+H]+	Positive	827067.3	7464057	3837583	8214962	21026483	4022720	2964195	17068170	4722393	13797756	6326207	4396192	2524973	25965490	6479939	4046448	5234176	6671981	7017994
Eicosatrienoic Acid (C20:3n3)	8.434	305.24814	[M-H]-	Negative_NH4HCO3	8510.48	388460195	361576370	444896189	434600088	332562540	335286458	269020911	284856625	432393069	299271783	237800791	290050525	201459142	99758410	294938383	185635455	135210433	138017717
Epigallocatechin	1.014	307.08289	[M+H]+	Positive	842578	23126295	13711063	17821472	44327850	30635760	23808875	17015967	30919789	23866645	20087065	16860844	25802280	18022618	17370138	15937162	17096427	17373756	17374038
Eicosadienoic Acid (C20:2n6)	8.694	307.26428	[M-H]-	Negative_NH4HCO3	2215.54	169023797	151142821	178462206	242378325	149376806	188575782	88271469	89419302	107827588	80553165	60715261	86137193	73350335	35120398	90325521	48566949	39869238	40448000
Glutathione	1.081	308.0809	[M+H]+	Positive	60464.04	127236	524040	490809	3474315	712840	1707137	274732	1112963	494264	628223	747011	243905	836437	1597982	1141550	390557	323015	650343
N-Acetylneuraminic Acid	0.876	308.09845	[M-H]-	Negative_NH4HCO3	13666.14	143568	260696	219602	304214	157020	135619	190108	276472	301267	277199	119984	274219	257841	114362	185251	224615	230852	82435
Fructosylysine	0.841	309.16519	[M+H]+	Positive	313897.7	15072063	9791321	12989127	11611930	11297618	10841385	10748638	8659190	9433837	12271586	4576617	9274437	14293351	4457056	3048482	17430790	11528415	13495317
Mestranol	8.024	309.17383	[M-H]-	Negative_NH4HCO3	45.89	1566097	770551	938204	1300626	2188047	1342852	1290334	687071	874880	815655	784562	630018	786251	508704	670867	588212	1223090	1697991
Octadecadienedioate (C18:2-DC)	6.656	309.20767	[M-H]-	Negative_FA	89627.24	6269126	6917135	7398480	9221698	4862731	4839424	4877661	8281811	5053118	4349328	3224955	5457826	5607676	2535488	3995527	3369318	3663080	3598772
Eicosenoic Acid (C20:1)	9.153	309.27975	[M-H]-	Negative_NH4HCO3	8382.57	612568758	462794244	577468877	817038306	492922651	547784432	539362925	589902035	907949569	718521219	540916848	561273882	340582766	161638901	511788472	272047032	262158181	239935431
Gamma-Glutamyltyrosine	1.859	311.12335	[M+H]+	Positive	1041979	21731932	13976342	18944038	15825156	18984634	10884734	15103760	11295724	13074225	10699220	11517050	9280670	12277803	6123587	7972968	15697351	15657761	12846177
FA 18:2+2O	7.316	311.22269	[M-H]-	Negative_NH4HCO3	225.1	20383577	15502850	34496316	24834521	18165013	20169090	2700541	4390735	2724578	2142405	2062585	3319302	2068917	1195652	2532263	1291447	1890792	1369198
Octadecenedioate (C18:1-DC)	6.763	311.22327	[M-H]-	Negative_FA	164.23	86827336	56794628	115978251	84154280	68236326	76482289	10125309	18741103	11080468	9775828	10015909	13350154	9047701	6124641	8991054	5696957	7214576	6409926
Arachidate (C20:0)	9.862	311.29541	[M-H]-	Negative_NH4HCO3	1982.77	148047154	132427888	138974765	228424363	143610725	163990022	147661485	142879916	162898131	190785098	111671826	134897416	101366355	34548653	102554265	57570813	67548627	47009175
N2,N2-Dimethylguanosine	1.863	312.12848	[M+H]+	Positive	265933.3	3366647	2051183	2705854	2611479	2741729	1986038	2404993	1946441	2193464	1663175	1731901	1507679	2075980	1093767	1312765	2452518	2546425	1792093
Decadienoylcarnitine	6.067	312.21671	[M+H]+	Positive	74772.47	886260	561220	732799	1158207	795160	535013	778314	1162333	743886	901253	575718	925555	405955	511884	478645	773588	521484	402802
Palmitoylglycine	7.282	312.25497	[M-H]-	Negative_FA	187628.5	2575534	651212	1661395	2676816	694017	1240620	1400427	2154641	2648086	1896851	935020	967216	446572	352948	770564	578333	198060	355066
Octadecanedioate (C18-DC)	6.89	313.23856	[M-H]-	Negative_FA	37048.25	4032881	3477833	4212360	4872558	3952463	3155140	8440742	13438137	10861247	8053812	6866022	8637566	8161543	3420269	4570124	4498413	4217679	3867074
FA 18:1+2O	6.56	313.23926	[M-H]-	Negative_FA	69949.03	101421818	79713906	106259488	106419075	78562436	94651838	14267745	27310838	8927964	12262453	7082826	10870055	6344706	5718759	7821352	6516237	6314397	9231690
Decenoylcarnitine	6.157	314.23218	[M+H]+	Positive	174902.2	1155783	912807	1555670	974732	3942927	716790	1808511	1337335	793848	5526462	1429687	6975326	1386006	1124458	598673	804415	909656	3425927
Decanoylcarnitine	6.445	316.24802	[M+H]+	Positive	995020.1	5444192	6148053	3560023	8857315	4450088	4189305	8297754	18342135	5867265	9364230	7275670	9884544	6426510	5352589	8791121	6325507	6253060	5527890
12-HEPE	7.729	317.21194	[M-H]-	Negative_NH4HCO3	1598584	119141209	144907866	135103727	230540975	101170619	115865620	45267013	46637728	64178924	36796189	34613645	33339165	29990517	16601635	26195208	34671345	38491955	18445394
15-HEPE	7.37	317.21243	[M-H]-	Negative_NH4HCO3	5.72	0	0	0	0	0	0	35900	71934	170093	0	0	25828	40801	0	0	0	30413	0
12-OxoETE	6.827	317.21283	[M-H]1-	Negative_FA	1416729	11797651	14940812	11340075	4192995	3584277	18668993	8676243	5457879	8502214	7597089	10907601	7916991	4778747	2166118	2932177	9364595	19658958	5885365
8-HETE	7.837	319.22766	[M-H]1-	Negative_NH4HCO3	46365.83	1495885950	1916129544	1828127592	1941222749	1519495558	1310438421	1202381305	1490049412	1824667620	1547000931	1556002824	1503761528	1327628273	826063448	1222760637	1168524052	1381827525	876966752
Linoleoyl ethanolamide	7.126	324.2897	[M+H]+	Positive	291374	1273026	1116935	1286843	1364289	623094	786342	925779	745092	809493	356773	545040	385228	381743	283156	655210	746986	562242	471366
Dodecylbenzenesulfonic acid	8.182	325.18411	[M-H]-	Negative_NH4HCO3	171.83	8890398	4417304	7179111	12921472	7485077	8750696	6457550	4665349	9634326	5186610	4350566	8211128	8902887	5551645	4038407	3664937	10312490	7445365
Heneicosanoic acid	10.19	325.31116	[M-H]-	Negative_NH4HCO3	60.19	4381122	3963974	4312264	6173984	3628241	5048325	8075991	7090471	8337579	11453041	6505081	4996339	3286445	1530237	3999876	2341035	4193392	1842685
Oleoyl ethanolamide	7.368	326.30508	[M+H]+	Positive	629516.9	2401662	2043903	2105304	3160543	1752476	1955644	3108069	4761411	4031921	3923224	3648292	2843183	2288835	3012162	3743239	2362395	1969655	2587120
Docosahexaenoic Acid (C22:6n3 DHA)	8.282	327.23239	[M-H]-	Negative_NH4HCO3	20478.11	1311094164	1270326242	1224138061	1365376142	1142379640	1074742005	713487488	622034651	1168747361	932802869	587253706	718717746	563119593	381960699	715084852	553549817	413904390	404600701
Docosapentaenoic Acid (C22:5n6 DPA)	8.479	329.24808	[M-H]-	Negative_NH4HCO3	2014.97	158478303	169460410	203511126	165933859	114940928	158304765	112719732	126335728	139690012	109085368	79064931	139226909	114229170	83495797	141881317	87973252	52394643	43832185
Oxodecanoylcarnitine (C10:1-O)	5.888	330.22723	[M+H]+	Positive	80172.38	364878	481796	156771	340160	256172	313454	543299	1184287	529149	586803	501994	872233	329595	405024	208760	66839	131152	368276
Adrenic Acid (C22:4n6)	8.606	331.26385	[M-H]-	Negative_NH4HCO3	427.27	133725778	123268448	132012763	136890898	104086256	118536989	49245867	58975417	72485518	65954472	46938264	67946853	51540348	33341661	68244523	41525882	27790337	26197196
Glycerophosphoinositol	0.866	333.05872	[M-H]-	Negative_NH4HCO3	70305.23	587450	701861	404638	738540	350674	256285	678795	674101	1084476	979003	772603	748329	524949	332742	575419	507908	678408	454303
13,16,19-Docosatrienoic Acid (C22:3n3)	8.992	333.27969	[M-H]-	Negative_NH4HCO3	118.49	5794961	7441795	8642421	5934900	4596819	8870964	10923400	9988375	11460721	7278258	7996232	11050530	10555075	5721236	18282751	11539449	6915912	4418743
13,16-Docosadienoic Acid (C22:2n6)	9.394	335.29526	[M-H]-	Negative_NH4HCO3	176.62	14585674	13464632	14939403	22832138	12074214	23132086	10215372	11056501	11710221	9626592	4980395	13234817	8620768	3219176	8114939	5053206	5018340	4352897
Erucate (22:1n9)	9.976	337.31113	[M-H]-	Negative_NH4HCO3	1258.79	83690090	69245206	82957415	132495607	69476958	110247456	89404174	101746367	124657138	106014769	74165254	128187363	67384165	19251909	59279873	30408040	43930653	26866714
Erucamide	8.198	338.34137	[M+H]+	Positive	10468220	65434036	109433049	97005823	99717632	70768622	133989080	178789355	133280022	56117901	101363871	83294931	103077440	186154061	84853917	234535938	62247885	37474212	55545383
Monoolein	6.662	339.30072	[M+H]+	Positive	397348.5	3118756	2894951	3283209	3583405	3220848	2922115	3808234	3387654	3766400	3698640	3021212	3185759	3024359	2664350	2664805	3271035	2955535	3590940
Eicosanedioate (C20-DC)	7.151	341.27072	[M-H]-	Negative_FA	222155.5	1374978	1174403	1003120	965825	925800	1304204	1087559	1372413	1305693	1475323	832904	1300871	468294	599813	754022	443023	1113182	350394
5-Dodecenoylcarnitine	6.611	342.26379	[M+H]+	Positive	674563.6	4811103	5315099	3293322	8497405	4154201	2559827	4776341	10175797	3224636	5262066	6195547	4804032	2387937	3351555	4583557	3354466	3437396	3420811
Lauroylcarnitine	6.844	344.27924	[M+H]+	Positive	41798764	12698223	8135102	18754085	8783951	7548100	56169445	50154101	56916870	70715576	47280484	62317390	41524965	29822170	45340611	43260810	35171467	39023641	50880664
Corticosterone	6.154	347.22137	[M+H]+	Positive	2544883	21979657	22240379	10985076	9985201	18177607	14977017	13332521	5422976	7941509	8272149	14370400	4474116	2733359	10348061	7232485	20404074	6699692	2270441
C-Glycosyltryptophan	1.753	367.14917	[M+H]+	Positive	594578.8	4438006	3403340	3428773	4163775	3217671	3626057	4823188	7470236	5278592	6021788	4956600	7244610	4878523	5255986	4899701	4662399	5189521	4469179
Tetradecadienoylcarnitine (C14:2)	6.784	368.2793	[M+H]+	Positive	6138414	10257928	7031717	13754156	8922446	6358544	4273918	4376195	4162986	5433166	4434322	5786142	2987196	2647888	3312273	2344583	2647717	3078062	4139493
N-Palmitoyl Leucine	7.621	370.3316	[M+H]+	Positive	17471.99	1419505	450071	1140972	2303087	1172110	843665	914309	1444903	1883032	1244063	758782	665565	517903	296570	713167	451669	323792	257901
Myristoylcarnitine	7.287	372.31036	[M+H]+	Positive	5836003	42567316	43107662	27658388	56253522	34341432	24007209	82851515	176354817	126491509	132131347	90955686	92106896	49687867	46838747	63333224	50542072	44726665	69618857
Riboflavin	4.163	377.14566	[M+H]+	Positive	91412.73	676106	802478	832078	1244321	495852	647081	316461	680570	403542	516016	479883	673469	301396	457582	252395	482466	346413	416664
Sphingosine-1-Phosphate	6.955	380.25592	[M+H]+	Positive	52696109	43939632	44271646	28420851	45596933	38857237	56485463	90441326	64648816	77362494	64934586	66577672	59659966	101787078	88980091	88233442	53721761	72981405	61033569
LPA 14:0_sn2	8.479	381.20419	[M-H]-	Negative_NH4HCO3	35.05	48216	54014	0	32664	137097	30247	1115775	1747301	947349	712319	772445	837318	1022535	658675	1224419	656338	941551	297354
LPA 14:0_sn1	8.593	381.20425	[M-H]-	Negative_NH4HCO3	418792.7	2484323	2149789	2389470	2012828	2000150	2124317	18536132	28184427	17336989	13780103	12345941	13271206	16290823	10621408	20274050	11013670	13851379	7632032
Sphinganine-1-Phosphate	7.057	382.27158	[M+H]+	Positive	33784106	32163147	25195764	18540590	27237704	21719844	42279868	68933043	43178210	67892424	54983081	50276365	42956368	89739222	71424721	71041710	38630628	51350637	50556557
Cholest-4,6-Dien-3-One	8.943	383.33072	[M+H]+	Positive	78421.97	2561313	2638515	1760152	1900585	1773820	1955781	3149186	2933201	2446326	2550062	1675350	2997577	3504152	3026924	4575847	6656077	4376393	1882408
N6-Succinyladenosine	1.917	384.11505	[M+H]+	Positive	1952394	1067523	2988437	2286970	1369908	1464596	1138044	1488742	1337604	2269206	1661480	3807172	1577127	1105282	990016	957412	2640995	1290583	1644150
Oxotetradecenoylcarnitine (C14:2-O)	6.504	384.27417	[M+H]+	Positive	59379.66	1657620	1338914	1148573	2939068	1250711	1095238	565623	956614	380993	496736	376708	747314	146152	551553	336261	201400	195659	408521
N-Palmitoyl Lysine	7.692	385.34323	[M+H]+	Positive	13.23	2053726	771729	78513	3249469	1472402	1249723	2667930	4869608	7409896	5384924	1166357	2145197	1123620	567735	700130	827112	86584	471917
4-Cholesten-3-One	9.114	385.34705	[M+H]+	Positive	6.56	535994	398337	511961	512499	837962	583688	1154068	2614017	1824614	883528	1528277	1358348	1207646	897476	1416039	1424385	908096	1054215
Deoxycholic Acid	6.795	391.28647	[M-H]-	Negative_FA	1177527	7844926	1930271	7526336	3290083	7458788	5007518	7069454	15228903	800567	1039219	5276448	6167439	1110318	1585508	2258728	936506	2529100	1178596
Hyodeoxycholic Acid	6.503	391.28702	[M-H]-	Negative_FA	349378.4	320198	142762	1258063	453747	981798	197149	1335667	2541311	1115724	715371	78550	2403691	0	346867	516264	391361	900956	0
LPA 15:0_sn1	8.939	395.21991	[M-H]-	Negative_NH4HCO3	106153.9	4540416	3308292	4536722	3808610	4106138	4100024	2625259	2940842	2763489	2525918	1994497	2693103	2642031	1988761	3607783	3074864	3062748	2198137
LPA 15:0_sn2	8.754	395.21991	[M-H]-	Negative_NH4HCO3	106153.9	202166	124399	272771	211994	241786	346787	200593	163642	194278	166710	121671	133995	50829	24402	78342	117484	74082	69417
Palmitoylcarnitine	7.791	400.34198	[M+H]+	Positive	14749060	118948223	206211466	240258376	253710220	113174605	99604007	102629044	218774985	157118151	183457840	151595780	239252391	77154291	82094865	118317595	75203032	148609119	83559415
7-Oxocholesterol	7.784	401.34543	[M+H]+	Positive	261866.4	28728713	49865499	58763755	60043501	25541083	23787138	22885531	56949022	39960413	47125581	39931602	58029340	17285493	18421417	26786634	1715278	34941612	22626211
7alpha-Hydroxy-cholesterol	7.791	403.36072	[M+H]+	Positive	49028990	251951391	455326000	609043700	540899005	297809210	339824693	200707729	234016440	243688824	207300377	177978583	317438733	184619859	158450169	326851883	180661182	333356463	202302896
LPA 16:1_sn2	8.59	407.22015	[M-H]-	Negative_NH4HCO3	45102.48	2193123	1703884	2453801	2260433	1733671	1883527	7451776	11998930	8804867	6215050	5884844	7057572	7340532	4671824	9135198	5596280	6158389	3330807
LPA 16:1_sn1	8.727	407.22031	[M-H]-	Negative_NH4HCO3	165085.9	20581095	16546238	23764417	24228962	16432742	19596763	29721724	34636595	43106351	33016133	30827798	36851779	37927846	21470193	47602906	35336885	30822575	21006712
b-Muricholic Acid	6.345	407.2814	[M-H]-	Negative_FA	1879621	1295943	4065314	2122928	3084823	1671332	1437323	10601276	14480701	5281795	7391232	3042901	24247802	480616	4492738	6097576	2265824	7810718	523412
Cholic Acid	6.564	407.28198	[M-H]-	Negative_FA	1863704	1516462	6891935	1381636	1820286	1655667	892435	5562731	4945270	2712753	4044998	1340412	16115448	3730000	2232966	4154922	4775188	8584427	328956
Leu-Leu-Tyr	0.94	408.00732	[M+H]+	Positive	891957.6	3391691	3445515	4172524	3544730	3653864	3637007	3281201	3032622	4370756	4624292	4000926	5430952	3999507	3366566	4111872	4025651	3847806	2479788
LPA 16:0_sn1	9.376	409.23578	[M-H]-	Negative_NH4HCO3	12336.77	1006956179	948539910	1098870566	1158099065	1010547986	1092567008	802467017	885462848	1089785180	950960356	781541171	916058006	831506656	684742404	955893342	881428548	747667553	720334182
LPA 16:0_sn2	9.151	409.23608	[M-H]-	Negative_NH4HCO3	1603.7	121452388	100036386	122955264	142793330	112854169	130694687	91677057	109496988	145745682	112665367	87719598	104921115	89413202	75948063	119011875	107133089	75310861	76268120
N6-Threonylcarbamoyladenosine	3.328	413.14099	[M+H]+	Positive	267204.8	1171149	1067250	1016198	1109441	850990	1109692	1122797	1563259	1190973	1062805	1031338	1467414	964014	1258448	890418	1015217	1053621	1305092
DEHP	7.818	413.26639	[M+H]+	Positive	82760.92	2639294	2210234	3186031	3119747	2492959	2935630	2275324	2720151	3550826	2752687	2203850	2804717	2719232	2007482	3106268	2813982	2281057	2675061
LPA 17:1	9.112	421.23602	[M-H]-	Negative_NH4HCO3	54502.3	1360363	1876406	2150380	2966366	1659117	2769933	2140200	2359535	3054856	2157519	972935	2343941	1990500	1268772	3473372	2873002	1845129	1345708
LPA 17:0_(1)	9.694	423.25137	[M-H]-	Negative_NH4HCO3	118190	2799042	2165484	2614547	3106204	2412595	2867402	3500357	3721447	4817587	4064257	2684946	3113675	2894706	2381029	4340405	4975871	3094774	2156631
LPA 17:0_(2)	9.85	423.25186	[M-H]-	Negative_NH4HCO3	312469.1	13944893	9909598	9537259	13364446	10112499	12149772	5637041	5551345	9256175	7009088	4292771	5048751	4349467	3754409	5986827	6379984	4646347	5378346
Linoleylcarnitine	7.484	424.34219	[M+H]+	Positive	4266665	53810902	104900536	95056129	138283426	53605501	46911725	15928089	29374357	13251723	16864213	14003747	22125991	11375633	9597269	14664940	9490610	16176528	10328383
LPG O-13:1	7.924	425.23099	[M-H]-	Negative_NH4HCO3	231250.2	1207966	2104180	779307	6054579	1127153	4892487	1068701	2481123	1418324	3317900	569115	3681750	4003306	2482227	308655	395049	1208425	1176163
Oleoylcarnitine	7.858	426.34863	[M+H-H2O]+	Positive	58142528	80918400	74625568	96459904	68516272	43138728	35615652	44914168	1638948	85738272	72525736	60277864	33855280	29518924	32980024	41557760	38901312	53165256	116644760
Cysteine-glutathione disulfide	0.965	427.09506	[M+H]+	Positive	837085	115074	188654	836887	0	107587	576761	2002997	79905	933460	532380	895641	3461142	929865	1092456	806151	1292000	759645	953770
Stearoylcarnitine	8.435	428.37329	[M+H]+	Positive	4272511	19965695	478712	208022	1020377	19155737	714237	31128368	46646282	45642188	46185001	35615548	1867133	29695261	24897252	28444529	25842741	229588	24052282
Alpha-Tocopherol	9.194	430.38022	[M]+	Positive	1525658	5606430	5869962	3925794	1796613	3383121	2764892	8551580	10014449	14147530	11925672	10112216	5462387	8518033	7846853	7366786	9483254	6039476	15354262
LPA 18:3_sn1	8.623	431.22067	[M-H]-	Negative_NH4HCO3	74.52	4528578	4206643	4146259	7301889	3383266	4940615	5072683	5554106	7895608	8748875	3572468	6144893	4757536	2167672	4513656	5317673	3359375	2692229
LPA 18:2_sn1	8.977	433.23578	[M-H]-	Negative_NH4HCO3	6712.96	465472604	496267899	539743570	720970010	523593710	611994774	557057238	594164159	678310496	584709256	417787931	544403822	458729378	287388336	473026895	461574165	329918646	320164996
LPA 18:2_sn2	8.795	433.23605	[M-H]-	Negative_NH4HCO3	685.54	43857009	48611389	57170320	92256003	57385110	71149605	64811367	81395236	89485672	71820563	46632427	61819888	49963314	26243115	51059946	48613423	32137230	30697274
LPA 18:1_sn1	9.548	435.2514	[M-H]-	Negative_NH4HCO3	3800.71	195696520	186656345	224067854	284005911	188106370	234073788	284130958	347724995	469917460	346377918	260414174	336379924	303588120	204505499	431362660	355871267	239569195	248453297
LPA 18:1_sn2	9.375	435.25153	[M-H]-	Negative_NH4HCO3	2890.49	277905827	257112843	300102166	321876848	274616990	300634903	228755968	259274593	322303296	270725116	223807034	267087098	237063005	191410782	285719730	253901937	210488375	200854055
LPE P-16:1	7.196	436.28296	[M+H]+	Positive	283807	1741872	1074195	1995525	1988929	2215957	1276031	1938311	3107717	2445484	2479068	1952585	3623377	2278580	2930146	2785913	2151203	2942665	4008443
LPE O-16:1	7.316	436.284	[M-H]-	Negative_FA	9708783	40995057	40671441	36478875	52963134	47541412	37483759	39429715	67705959	68407434	63706256	60617307	47123934	45957304	34708337	47136230	44878904	53249660	43314767
LPA 18:0_sn1	10.398	437.26703	[M-H]-	Negative_NH4HCO3	2494.26	399143215	355015712	306546932	341044338	315324857	322911417	299674401	383762719	431299308	337027421	303922702	347986621	306460174	258594897	376442480	397695429	211558674	452757483
LPA 18:0_sn2	10.103	437.2674	[M-H]-	Negative_NH4HCO3	294.1	34595345	31888284	27810224	35256032	28897415	29396280	29333791	34877352	57199358	50950018	28830431	36402814	28427674	23523010	34606689	43561760	21677088	37550217
LPE P-16:0	7.315	438.29813	[M+H]+	Positive	2278007	46933940	48741279	47601629	60790952	50238941	41409567	48553864	77460719	101453097	88453110	71893963	52320649	51672688	34911168	54274445	55756971	56612791	52875697
LPE O-16:0	7.4	440.31351	[M+H]+	Positive	1006214	13261408	11545381	13775257	16661607	15113700	13792872	7885625	10271640	12561448	10583704	11284850	8088158	8669592	6798729	9808305	8124049	8366651	6407932
N-Linoleoyl Tyrosine	7.124	444.30878	[M+H]+	Positive	77056.65	604075	1170822	621786	644027	838494	1229700	927650	981505	808853	784868	727985	1068087	1565709	968324	633792	990733	976250	986548
Arachidonoylcarnitine	7.416	448.34229	[M+H]+	Positive	304242.1	24163558	15045953	13159842	16048830	10038304	10123583	6548586	12585825	6753834	6332876	6123618	5236564	6037397	5166030	5535009	4790218	4762158	3978852
LPA 19:1_sn1	9.85	449.26736	[M-H]-	Negative_NH4HCO3	14120.62	3619432	2340673	1213559	3171426	2575527	3097382	1476818	1289586	2382511	1921731	917069	1142233	1002059	845349	1495035	1417893	951399	1314073
LPA 19:1_sn2	9.691	449.26767	[M-H]-	Negative_NH4HCO3	14.66	480793	550376	183763	805359	306411	527707	663248	383223	1108622	756080	150595	723110	371082	308961	1141668	590779	490056	422247
Dihomo-Linolenoylcarnitine (C20:3n6)	7.655	450.34793	[M+H]+	Positive	432266	251234	212304	240976	308235	957481	754240	859017	86754	133493	305333	352352	243135	629829	498108	493248	333911	491368	540364
LPE 16:1_sn1	6.932	452.27731	[M+H]+	Positive	1328520	4305178	3818907	5267430	5001315	3950878	4962736	7060996	10567469	8437062	6737408	5743168	13831616	6581558	5978821	8587716	7892248	8506119	4925667
LPE P-17:0	7.489	452.31409	[M+H]+	Positive	115621.8	683316	787238	765434	1002024	746188	515233	681183	1992262	1197739	1528258	859856	757934	1081506	424099	1307525	1077198	973545	640436
5-O-Methylvisammioside	6.443	453.1673	[M+H]+	Positive	5299040	27840499	30048106	33664087	29876548	30385685	32158924	32861207	32578096	31784086	42250937	46189305	23444040	25626245	33682748	28110091	46401191	31491009	44529857
LPE 16:0_sn2	7.196	454.29282	[M+H]+	Positive	26193690	83925179	74750934	81589351	103427425	81967296	97629352	114841135	180607419	143078705	134008068	130226548	166312896	170121157	168313047	171709730	152454383	157164370	193822324
LPA 20:4_sn2	8.759	457.23642	[M-H]-	Negative_NH4HCO3	77.53	4781283	4531056	5663398	9466194	4364787	5070207	5413585	5575905	8316835	7937326	6030528	4561025	7143369	3342057	7269204	6728298	4847587	3304391
LPA 20:4_sn1	8.915	457.23834	[M-H]-	Negative_NH4HCO3	860.91	51883281	50635977	59849177	95052632	46976823	58900107	57278958	55465384	80039672	75774910	63396392	58888135	71420131	41812678	85301809	72282920	56769664	36969458
LPA 20:3_sn1	9.275	459.25226	[M-H]-	Negative_NH4HCO3	262.24	18028601	17197922	21633110	33634296	15998732	21674848	28961706	28388597	47626390	35899989	24919926	30698604	26164924	11442035	38865764	34799158	20345232	17134124
LPA 20:2_sn1	9.547	461.2674	[M-H]-	Negative_NH4HCO3	152208.7	40536151	38731822	46010013	58622952	38950698	46660494	59842288	73220465	101919205	73785950	52597809	70902245	62861368	43611542	92549206	74628406	49240214	52368945
LPE P-18:2	7.401	462.29538	[M+H]+	Positive	187645.6	3047583	2809076	3821774	4347936	3650240	3723366	2297869	2451079	2887705	2749088	2967150	1908890	2192607	1529827	2464332	1822226	2035681	1770013
LPE O-18:2	7.355	462.30032	[M-H]-	Negative_FA	2766531	9020303	11266163	12953530	15336732	12648638	8789158	11045720	20509474	21840242	19068541	19717705	13165460	13559724	8009629	14545090	12030687	17793155	12362016
LPE P-18:1	7.357	464.31372	[M+H]+	Positive	1824397	12587113	14392011	16827088	20076038	14895774	11004083	13903013	26826585	29718219	28632859	28182012	15197773	17056994	10367654	20351370	17008897	19929180	15809025
LPE P-18:0	7.693	466.32935	[M+H]+	Positive	6981128	42225836	50190676	37879198	52425179	44945432	37774424	35881662	57602007	62331228	61674782	45832349	35163729	32098328	33819284	54593978	36912115	38122248	37697480
LPE O-18:1	7.434	466.32959	[M+H]+	Positive	387108.6	2202038	2885554	2983835	3180541	2007431	2529456	1757864	2608585	2148343	2478572	2701489	1882554	2196129	1755379	3053376	2604280	2658684	1723576
LPC 14:0_sn1	6.871	468.30832	[M+H]+	Positive	46637150	97403238	70171707	80387373	62498463	76190588	65506971	591857592	843299949	570732707	460269490	409202877	417973104	485585336	355015987	554634594	354519950	418289970	250893649
LPE 17:0	7.362	468.30936	[M+H]+	Positive	687640.3	6518479	4891760	6278355	7551034	5673534	8415066	7691332	9078051	8322373	7783821	5977783	7325120	6422556	6876943	9113220	8945404	5759003	5967255
LPE O-18:0	7.801	468.34464	[M+H]+	Positive	4443665	43615430	42529774	35205823	52225211	40815844	29539613	24223025	25025428	32080226	28846196	26927742	19580357	16441288	20194299	27628435	22904784	20041899	18926274
LPE 18:3_sn2	6.844	476.27777	[M+H]+	Positive	27.23	8440300	10640236	9096680	10089298	8838769	11470120	7924470	10965006	9804853	9957163	3711383	13781420	7070392	3864996	5062650	8044299	4636765	3831046
LPE 18:2_sn1	7.013	478.29294	[M+H]+	Positive	37827120	215834866	196413683	252748217	220882295	227444600	275446245	269000620	337131923	241700691	218745680	128424588	338407288	222147088	157561891	157236637	172575888	130532395	156822395
LPE 18:1_sn1	7.238	480.30865	[M+H]+	Positive	5991122	66188195	67768536	85714312	87055761	71430856	88496429	76274280	106210915	68105111	60850318	58892860	99938397	70339104	66300371	98807322	87137657	74948973	63806978
LPA 22:6	8.866	481.23615	[M-H]-	Negative_NH4HCO3	343.28	38787184	33868431	45960205	71181819	40659088	43661538	34591420	24986337	55975985	50260068	30785879	33119625	32132892	19865843	39828994	35389764	22074955	22562361
LPE 18:0_sn2	7.461	482.31326	[M+H]+	Positive	42446.41	11026876	9045607	12649628	16517272	11652990	15563270	20581548	26200921	22430761	20944642	21479447	24307822	22600333	25448165	21326373	20515573	20017429	22975549
LPC 15:0_sn1	7.018	482.32419	[M+H]+	Positive	10782630	124259571	92812966	109424577	101819262	106166349	114290879	79081847	77269052	85220116	68825235	65852112	77118237	73218470	64700178	92833391	78392180	76648430	55086597
LPE 18:0_sn1	7.561	482.32419	[M+H]+	Positive	23532720	143477223	112639573	153523269	185295329	143170038	160959418	240676779	280148930	225541932	228187491	200606659	253138069	227185986	264502860	253981863	224214521	204932026	256111007
LPA 22:5_sn1	9.31	483.25116	[M-H]-	Negative_NH4HCO3	255269.5	1166570	1616602	2070918	2833167	1014435	1665416	2582705	3230993	3986474	3411501	1941787	2951876	2548069	1945254	4361465	2869481	1602009	1914691
LPE O-20:5	7.356	486.29562	[M+H]+	Positive	793457.3	2851390	3226034	4091231	4561262	3386437	2522121	3273665	6833784	6637509	7036701	5938768	3416300	3946221	2528133	4829156	4100249	4496280	3723325
LPE O-20:4	7.696	488.31149	[M+H]+	Positive	828259.5	6832092	8089676	6294595	7840044	7495340	5780097	5975323	8891355	10006241	10490478	8471616	6427419	6543565	7132091	9820521	7683047	8713385	8154090
LPE O-20:1	8.102	492.34818	[M-H]-	Negative_FA	1071535	6313185	8534702	5850811	5102405	6116161	5838503	3980094	4195795	3991069	3873498	5008053	4298526	4440101	6517701	10702842	7183865	9870485	6164429
LPC 16:1_sn2	6.92	494.32397	[M+H]+	Positive	112356600	493380241	386299414	510063053	431922259	363208332	397140463	633996082	790211576	887962731	640908374	660356666	731251338	729676540	516533648	882267158	774784387	636781017	480635442
LPC 16:1_sn1	7.065	494.3251	[M+H]+	Positive	923963.3	3128404	2446302	3205339	2365351	2804420	2583432	2815619	3657284	3166778	3243815	2747666	3065916	3135595	1714461	4552436	2083559	1923482	2540646
LPE O-20:0	8.228	494.36404	[M-H]-	Negative_FA	3180712	26949096	25236427	23263758	22924898	19482042	17078222	12100016	11731000	15548556	12675026	13317586	10179433	10736225	13183948	23594178	14728581	14010417	11720105
LPC 16:0_sn1	7.174	496.33923	[M+H]+	Positive	33044.3	8676459260	7132215357	7405649964	8168970152	7647168554	7744344708	6954339277	7342953387	7969093871	7238240271	6923438422	7309426784	6889426717	6993404232	7184288701	7148919916	6308865830	6631741106
Taurohyodeoxycholic Acid	6.35	498.29111	[M-H]-	Negative_FA	943782.4	10574339	2403988	4645801	2850598	7033231	4906973	12760576	5754404	1328639	3313666	7502665	3843421	2960470	1005123	5070423	10912807	2074796	1902914
LPE 20:5_sn1	6.811	500.27704	[M+H]+	Positive	1922712	7904610	9017064	7327669	11031127	7357681	12406921	6908732	8738721	7920066	7788699	3460480	12545513	9498360	4865293	7711278	14164675	6456398	2995768
LPE 20:5_sn2	6.566	500.27713	[M+H]+	Positive	1127014	2443198	3723212	3874752	8836188	3660742	3793801	4825620	8147697	2712168	4292456	2075013	4164451	4939333	4117444	2731071	5321895	4240844	991815
LPE 20:4_sn1	7.246	502.29068	[M+H]+	Positive	2090995	10934618	11195020	12942285	13195012	12187062	13403700	11065530	12031182	8201390	9015298	9244433	12743012	10122351	9607101	11952870	11364713	11317793	9915646
LPE 20:4_sn2	6.96	502.29269	[M+H]+	Positive	13253740	225475048	190331106	253327660	245236795	192656483	261782772	196987608	200334695	184381354	167959825	143188282	317086944	242907423	209605876	212279059	265204550	201219569	139473790
LPE 20:2_sn1	7.298	506.32419	[M+H]+	Positive	886870.2	4110079	3600344	6002852	6999135	6416714	6842590	4396228	4201734	3727915	2306885	1963297	5771111	4110086	3431860	4648541	4326282	3708138	2447158
LPG 18:2	8.273	507.27264	[M-H]-	Negative_NH4HCO3	170372.4	1493355	1337687	1570742	2087530	1023265	1488532	3526775	4719445	4586132	3894529	2042154	4384270	2753568	1133341	2218136	1972539	1847159	2075982
LPC 17:1_(1)	7.061	508.34	[M+H]+	Positive	9702555	59258694	45095732	51517962	54424328	46761022	52482139	50059284	54272476	65851950	44750203	32001053	58432436	47717210	32128423	67002662	56553917	39402082	29113612
LPE 20:1_sn1	7.582	508.34006	[M+H]+	Positive	2289189	6414941	5348885	8357765	10954226	7902860	8765865	11384688	12921219	10985132	7005152	7921009	18838848	10633776	9942413	12810343	9939970	10125312	8560117
LPC 17:0_(2)	7.342	510.35559	[M+H]+	Positive	34458840	510054565	333549904	391325388	438896766	403888390	467981538	262480423	276328094	338382119	260591753	242499068	228904382	199859214	190949042	311222350	276180079	178419416	160899398
Taurocholic Acid	6.172	514.28619	[M-H]-	Negative_FA	3002533	41610372	43978332	17787894	17159901	29821544	26491461	53607305	5534282	10149176	18101352	9181586	9668477	19498213	3910102	26522847	35906095	5157573	17893174
Taurohyocholic Acid	5.879	514.28625	[M-H]-	Negative_FA	2635651	10658894	16246836	9127035	9443120	11321329	11133484	40090703	7438151	10836848	16380015	9866032	10370517	8334683	4490386	19720965	22091693	7582488	5734617
LPC 18:2_sn1	6.881	520.3399	[M+H]+	Positive	3025.45	6023396	11277590	10007666	18275983	9179252	8713950	11879015	71899007	23338419	18543828	46802958	10918344	103261116	33698299	7627904	10722102	6937859	77264657
LPC 18:1_sn2	6.993	522.34546	[M+H]+	Positive	34405130	286999456	276748161	301207424	356338579	285872943	315898250	322730591	352032455	406940443	335244971	297284739	321960566	303085057	216968185	287327067	277123554	211134951	237988568
LPC 18:1_sn1	7.217	522.35504	[M+H]+	Positive	191472300	2552639969	2307327113	2596723544	3023261129	2329349264	2587431431	3065334863	3967125603	4141011582	3189901972	3433320318	3469754266	3149749833	2487171090	3714133078	3403514153	2601638003	2572494314
LPE O-22:0	8.695	522.39478	[M-H]-	Negative_FA	529465.8	3496491	3867657	3496188	3171404	3430966	2529668	2170372	2307389	1896659	1890925	1811119	1654856	1962728	2706769	4793059	2677286	3073045	1999256
LPC 18:0_sn1	7.532	524.37054	[M+H]+	Positive	26889.29	5292760314	4290779325	4375487346	4666904102	4532468155	4434435158	4940810381	5368988413	5694562694	4901350789	4611191470	4834069109	4255772110	4659855189	4707838787	4457530059	3619998937	4081213358
LPC 18:0_sn2	7.432	524.37115	[M+H]+	Positive	3818.55	781646923	545179759	547642105	682884107	485458357	680452202	681205323	730608327	902389315	783529260	617868423	653189477	529315043	589735082	667024760	720966519	458808813	459150450
LPE 22:6_sn2	6.913	526.29279	[M+H]+	Positive	13139880	228740798	177703493	255648340	258841054	230617797	284287694	126337270	90436376	137895779	116572825	109463814	227103390	133451726	186108926	153226383	157706352	153963243	132084822
LPE 22:5_(1)	7.079	528.30896	[M+H]+	Positive	1715757	12571317	13275402	18841171	15689216	12585593	22634490	13263926	12521943	11462212	10227496	8937977	26056761	12069254	23060605	18831285	13394167	13132216	13248793
LPE 22:4_sn2	7.06	530.32233	[M+H]+	Positive	492537.4	13441949	11199822	11914414	11847337	11024036	11950743	11220990	12235534	15232092	10221787	7765078	12937357	10486963	8796111	15810464	11489536	9653023	6828416
LPC 19:1_sn2	7.379	536.37115	[M+H]+	Positive	104.72	18838641	14831676	20339656	21545274	19279627	23984070	24135870	24000659	31068635	20621610	18761116	24114495	22735004	22114750	35950702	30721081	18230914	13165365
LPC 19:0_sn2	7.721	538.3869	[M+H]+	Positive	23975710	329388642	206731672	257405444	309930279	285012972	323736775	186031036	151277811	260670799	195310400	200564930	180806057	139898935	156241080	197543249	181320563	132465634	111780566
LPC 20:5_sn1	6.798	542.32428	[M+H]+	Positive	8674554	63268805	88799331	51802873	116872906	64986775	103443894	89105938	95377388	138877583	118401347	56909570	77193554	78955024	32348350	98926663	128141024	45984899	43531153
LPC 20:5_sn2	6.556	542.3244	[M+H]+	Positive	274648	1795120	2940447	3175614	8809912	2840208	2610305	5111334	7225200	4656047	5038674	4219287	3161949	5249804	2829237	3827135	4467308	4022590	1558949
LPC 20:4_sn1	6.95	544.33948	[M+H]+	Positive	265089300	1506669564	1315084633	1589946862	1959917548	1395966586	1545589980	1702342654	1643285010	2232918401	1933068506	1818308755	1601264178	1911812635	1246189878	2125253538	1997004371	1563231365	1141728488
LPC 20:3_sn2	7.073	546.35565	[M+H]+	Positive	25444260	461704878	374358685	437385443	636621373	378827472	503320164	772863742	701992098	951581026	712206721	606267374	749192227	630975140	350672233	881798325	730487650	503989203	380514740
LPC 20:2_sn1	7.276	548.37109	[M+H]+	Positive	9477519	133054790	123877926	125780790	173137176	118426905	165113119	147673549	192786207	193518372	135672442	114070359	128168452	123911805	87724620	190563897	162412926	99955623	75197571
LPC 20:1_sn2	7.459	550.38635	[M+H]+	Positive	184.04	10961653	7578529	9149515	13012382	9329224	10946807	11522273	15397936	16407270	10717182	14451420	12899275	14755413	11781520	14419135	12722143	10530977	9805989
LPC 20:1_sn1	7.559	550.38678	[M+H]+	Positive	24250420	120562712	103421710	137078027	153474754	126522195	136676643	160070776	189476664	188297157	132453812	152481164	189054942	159255745	143868973	202538462	148797678	155684148	117386718
LPC 20:0_sn2	7.818	552.40204	[M+H]+	Positive	162.88	2941267	1905901	2790031	18809869	12723210	11894535	13660102	9245300	18687427	15889012	9519623	12260689	13454196	7894717	10810444	158476635	9442980	10380193
LPC 20:0_sn1	7.929	552.40222	[M+H]+	Positive	37713800	285065260	242674504	225197053	319946969	253543200	288716576	249485871	256312459	309447006	335008247	219675437	253917097	232639135	181262816	226700604	158605208	189887097	182662680
FAHFA 36:3	8.291	559.474	[M-H]-	Negative_NH4HCO3	245.87	57858466	55636480	57894797	82132734	54504587	54232794	26618221	32733573	39675950	30935921	14397512	19795160	10076669	5258694	15591363	8082481	5323035	10833236
Phe-DCA	6.608	562.34869	[M+Na]+	Positive	1025034	2776920	5431064	5135816	11675781	4376075	5080458	11655811	14560543	9600387	9361001	7693449	8177953	7592917	4760246	5443906	6055818	5077431	5007541
LPC 22:6_sn1	7.072	568.33783	[M+H]+	Positive	22324720	98372793	86611185	87455779	121820835	81511464	99812660	143783047	139436032	174532739	135734493	124034853	146169509	131920614	74733789	173666675	137648620	112483129	86463408
LPC 22:6_sn2	6.901	568.33966	[M+H]+	Positive	184090000	1243697535	955499214	1258065462	1854311796	1126269687	1235869149	1000791833	792625365	1532202578	1349706205	1007626745	926648155	904587393	648669181	1037359378	930953158	656509886	645833451
LPC 22:5_(1)	7.065	570.35614	[M+H]+	Positive	16431350	55068098	78627547	98098673	105402286	63957687	87131831	118197618	126752987	153082937	127577018	75156884	137103594	105250325	108030824	175552374	118265212	75264375	64968473
LPI 16:0	8.398	571.28961	[M-H]-	Negative_NH4HCO3	296182.7	1146841	1372466	1350663	1577326	1059104	1334102	1401831	1444931	2273032	1919954	833456	1102693	859800	865938	1486736	1080308	964009	1173093
LPC 22:4_sn1	7.16	572.37103	[M+H]+	Positive	2332510	13492110	11462041	11409241	15012440	9849965	11167694	17688750	16995791	18034260	16393719	14426500	15011107	14732048	13646344	18791451	17426836	17920916	11889139
LPC 22:1	7.94	578.41833	[M+H]+	Positive	5718202	22814479	19646381	23569274	27243221	22506448	28925999	28453397	39292379	38726344	34539485	37033496	40402812	38695992	24607111	37995611	26336897	34309991	23740295
LPC 22:0	8.353	580.4342	[M+H]+	Positive	3901969	50260710	42475050	43144748	54567072	48263847	50471650	36168614	42759581	46056488	45879412	36272213	42805242	34863872	34986140	41857958	31384793	33969569	27520660
Bilirubin (Z,Z)	6.227	585.27124	[M+H]+	Positive	1299625	7811847	6695961	5284026	751316	4049092	7567769	8932974	9156304	4003588	4364758	5745658	4275548	3436612	3541895	8179388	3492059	9455353	10595421
Bilirubin (E,E)	5.677	585.27161	[M+H]+	Positive	514261.1	3137151	2701726	2033011	0	456862	3498055	3368812	3235713	1875975	1890845	2428562	1922249	1427467	1610584	2270869	1635423	2904822	4108557
LPI 18:2	8.249	595.29004	[M-H]-	Negative_NH4HCO3	2157066	9448236	8659043	9460092	13687007	10208157	9894830	11616019	12152957	23487835	17193168	6630765	7831576	5480321	2726591	6892861	5628994	3429277	4452792
LPC 24:6	7.084	596.37073	[M+H]+	Positive	1289312	4814060	3607752	5380973	7183292	3493888	4501780	6612945	6509584	7444939	7586847	3761244	8210923	4706887	4961842	7555543	4907014	4506760	4070581
LPI 18:1	8.478	597.30591	[M-H]-	Negative_NH4HCO3	260075	899402	1011405	1019358	1604709	924095	1065147	1839683	2311842	3854208	2599671	1415991	1139723	887456	616885	1340122	1336419	833211	1279760
LPC 24:5	7.264	598.3866	[M+H]+	Positive	398129.4	2791310	2826734	2982105	5434215	2450258	3027204	3267610	3564823	2933120	3608603	2759750	3827932	2118660	1729150	2139360	2341586	1748435	2204714
LPC 24:4	7.449	600.4035	[M+H]+	Positive	493807.5	3302982	2772792	2854578	4443044	2767096	3180618	3193041	3996540	4445629	3345252	3659671	3204407	3324431	2072438	3531505	2952537	1777869	2647257
LPC 24:2	7.998	604.43378	[M+H]+	Positive	821765	6673536	4475737	5644339	6590339	5187546	6004099	3445434	5310505	4603823	3759964	3610056	4012944	4074013	3156854	4498549	3338673	3332814	3412795
LPC 24:1	8.355	606.44958	[M+H]+	Positive	4368328	25127258	20603902	21301356	26587643	23473060	27173088	23527297	26818182	28614299	26151795	25728008	31580591	24819986	19415120	28164020	21580097	23935193	20365270
LPC 24:0_sn1	8.819	608.46539	[M+H]+	Positive	2034194	50782690	41353348	44504017	46719384	47527733	37940907	28319329	33977349	32706164	33006231	28280571	27480024	27259201	31251521	35375244	25883137	27646678	25606452
LPC 24:0_sn2	8.691	608.46552	[M+H]+	Positive	185690.7	3296049	2483894	3361477	3200572	3139577	2692671	2500736	2267050	2483522	2561997	2318213	1802773	2251547	2708343	2696620	1659864	2196972	1715831
Glutathione Disulfide (GSSG)	1.013	613.16016	[M+H]+	Positive	532180.3	5564619	3011382	3993110	11796650	7756789	5441678	4040058	8391034	5639238	4943868	3955101	5868162	3901629	4294970	4089223	4989455	4886724	3950233
Heme	6.511	616.17725	[M+H]+	Positive	3379390	6343626	1473040	4171334	347472375	113835083	2135351	4486418	27816148	7828027	2222768	3676671	3839510	1174873	1167242	1246622	426052	2534745	430835
LPI 20:4	8.172	619.29016	[M-H]-	Negative_NH4HCO3	228702.6	1932326	1782633	1649858	2323586	1395726	1439423	2967394	2142503	3918364	3502115	2049245	1893107	2042960	870440	1998426	1623096	844961	1100049
LPI 20:3	8.375	621.3056	[M-H]-	Negative_NH4HCO3	443501.8	1247704	1442999	1835633	2528205	1286384	1560736	3766177	3390618	6597733	4992184	2665422	2384910	2242924	875643	2709915	2017510	933978	1524402
LPC 26:2	8.406	632.46503	[M+H]+	Positive	189239	1607131	1379354	1660075	1708398	1173730	1504572	837024	1151545	900259	721744	687771	672372	800897	611537	993901	993887	717730	744015
LPC 26:1	8.812	634.47998	[M+H]+	Positive	367643.4	2425175	1909653	1899772	2493340	2316544	1725647	1778961	2305775	2148250	2392666	2173213	1969015	1869844	1733975	2685718	2178182	2373472	1689605
LPI 22:6	8.22	643.29028	[M-H]-	Negative_NH4HCO3	255150.7	866908	910670	1032961	1476343	930794	786942	1701595	1083484	2949148	2202998	1270554	938886	1124094	382702	1143417	751384	609840	531113
NAGlySer 15:0/17:0	10.088	653.51648	[M-H]-	Negative_NH4HCO3	226667.8	1110540	2347946	330578	177294	2918027	1969430	763006	2045126	2160936	921070	2575698	1959538	1075562	1103713	987184	2066772	1346389	2399589
SM 32:2;O2	8.587	673.52905	[M+H]+	Positive	2849329	4156718	2996457	4192294	4164899	3819323	3906379	23300712	29516732	30797313	23658210	40045502	19214993	22979926	17852239	33589779	26914088	23122332	18311094
SM 32:1;O2	9.045	675.5434	[M+H]+	Positive	38570180	49625151	41837602	44644405	53328762	52932192	47155994	269455584	298444472	306127589	304085461	327056227	209333962	282221371	247716356	334600456	260804299	246353665	267255902
SM 33:1;O2|SM 17:1;O2/16:0	9.313	689.55914	[M+H]+	Positive	18014330	153530158	116598664	124272312	168419102	152765423	143707695	126259991	113329018	138511606	131561089	137448125	87246693	104003857	100955560	143103307	84391081	96992383	97010058
SM 34:2;O2|SM 18:2;O2/16:0	9.073	701.55939	[M+H]+	Positive	58990920	385049519	351359347	446384612	421148263	408253977	460430809	372184240	421148106	456772914	390912535	521012491	333452062	344998468	318447484	452844276	339292594	375948248	312593596
SM 34:1;O2|SM 18:1;O2/16:0	9.614	703.57513	[M+H]+	Positive	37289620	892201050	806146948	743978013	800535928	784786601	683580192	830017315	857320523	809523355	841121349	898976815	612068735	794175806	877877167	983970349	810797332	821766917	853843372
SM 34:0;O2	9.874	705.59033	[M+H]+	Positive	13739540	87297334	83878527	77994133	87779353	83598954	72640665	97640037	108988968	81738771	105062492	75643633	65351092	79263739	82540514	90610099	70733484	79975753	72447024
PC 30:0|PC 14:0_16:0	9.496	706.53839	[M+H]+	Positive	12181180	15528440	14448118	12875455	12626155	16010482	10331831	177644272	208234585	112391644	118722850	117058392	117611069	119819344	139166610	136901811	90171088	134459075	98263828
PE 34:3|PE 16:1_18:2	9.053	714.50171	[M+K]+	Positive	90927.69	0	0	0	0	0	117887	115579	514062	0	121669	279528	0	257840	396109	137301	0	107793	180604
PE 34:2|PE 16:0_18:2	9.652	716.52301	[M+H]+	Positive	205702.5	2768033	2343749	2962643	3280003	3749021	4711455	2812825	4066176	1624701	1955628	1030625	5234925	2082101	5166136	1796459	1160199	2643216	2531352
SM 35:1;O2	9.909	717.59076	[M+H]+	Positive	1688035	25813362	18513328	23026125	23074267	22788072	20458474	12795942	10684909	10985984	11580080	10155791	8744642	9401577	12240625	13242291	9074373	10005376	8473237
PC 31:0	9.787	720.55414	[M+H]+	Positive	1683285	16945672	12506370	15126269	13583624	15885635	13171437	14767825	14857167	9922041	11315443	10394946	11032200	10212917	10349221	11526536	8450733	13057326	9628934
PC 32:3	9.031	728.51746	[M+H]+	Positive	175610.6	460892	281879	475787	602011	449662	646584	82917	2182867	880327	901701	1753813	1007694	457240	652109	1391192	396113	1162468	648928
SM 36:2;O2|SM 18:2;O2/18:0	9.621	729.59149	[M+H]+	Positive	2491611	23133981	19113451	18613637	21598257	23145100	18738645	21796796	23766947	22849622	22174762	30926197	14967817	19517934	19489103	23571996	20643380	19526880	19617491
PC 32:2|PC 14:0_18:2	9.068	730.53802	[M+H]+	Positive	19647200	28468218	25848036	29676408	26495848	28618884	33775352	190522787	272226843	212949509	176427595	154873946	198835025	168417639	128794668	179082718	137655215	176996103	121873757
SM 36:1;O2|SM 18:1;O2/18:0	10.283	731.60626	[M+H]+	Positive	10258620	144455382	116392887	126484714	133597514	150456236	115395657	116506792	102750008	96639124	103161615	97847459	74158275	91888070	104748173	96944242	76391812	94532233	79410486
PC 32:1|PC 16:0_16:1	9.499	732.55383	[M+H]+	Positive	9017993	82767990	76270658	83475020	93607270	71818097	89371501	281234066	328876876	324113461	293339923	341148883	333937028	310875190	290212404	369489814	303111417	311604383	285529318
PC 32:0|PC 16:0_16:0	10.095	734.56989	[M+H]+	Positive	12572650	209525579	183042594	191417356	180657429	212250081	177145764	185819939	166177100	137070222	129409414	141962475	126395185	132151875	158385185	135089431	129138064	163905949	149568882
PE 36:4|PE 16:0_20:4	9.481	740.52325	[M+H]+	Positive	388107.9	1617852	1275207	1933564	2560735	2042757	2614843	1052472	1155991	866992	821707	254274	2624498	1025655	3606910	1168573	1280909	1697378	1199516
LNAPE 18:2/N-18:1	9.103	740.5257	[M-H]-	Negative_FA	181185.4	1253903	1137926	1323099	1050193	995613	1237886	641134	1603450	911241	1215735	1535053	1059822	1529700	1270644	1449399	1549272	1306299	1620254
LNAPE 18:2/N-18:0	9.567	742.54041	[M-H]-	Negative_FA	679030.8	6286592	6076195	6209028	6445353	6295498	6312376	6418143	6231012	6243474	6305063	5562342	6464929	6193258	6012543	5303183	5392697	5285910	5368115
PE 36:2|PE 18:0_18:2	10.286	744.55322	[M+H]+	Positive	917814.3	5439235	4728453	6502974	6433697	7704711	7523511	9012300	13383547	4969874	5760478	2189663	13588638	6173690	8663735	3858443	3852100	4540348	5441355
PC 33:2|PC 15:0_18:2	9.316	744.55438	[M+H]+	Positive	9225386	66769019	60649942	71328221	81839346	86956133	93170090	63535578	61269464	62922775	57666028	52220220	57312201	52965259	39876259	54717328	46628197	52477672	40249757
LNAPE 18:1/N-18:0	10.074	744.55981	[M-H]-	Negative_FA	618568.9	4082351	3533837	3793508	3808436	3255876	4237816	3881305	4505431	3881691	4335343	3993970	4362340	3931211	3997356	4422151	4307573	4205519	4317057
PE 36:1	11.709	746.5694	[M+H]+	Positive	207756.5	1099205	1081218	2607859	2033864	2342597	2318854	600593	2125777	478054	751022	76114	1032465	371196	257079	724640	407217	239275	410090
PC 33:1	9.786	746.56958	[M+H]+	Positive	2819220	35278275	29200733	38519276	33352842	33344486	37346896	45845370	51477954	51610651	42470731	41977899	54933588	45591872	45621548	56939573	48871489	45648930	40094465
PC 33:0_2	10.348	748.58502	[M+H]+	Positive	499769.5	3676481	2163327	2974453	3413168	3030636	2858903	6406535	5849117	5214171	4043483	4124158	5333859	4305745	5401900	5903992	4872611	5795677	3934089
PC 33:0	10.588	748.58508	[M+H]+	Positive	566235.4	14543843	9403887	11675068	11530365	12676611	10553178	7808831	5203919	6334410	5033086	4363277	3905764	4165630	6026148	5471699	4602472	5320723	4042425
PC 34:5	8.637	752.5199	[M+H]+	Positive	216752.6	0	324308	0	169352	0	121312	1001355	1579661	1064517	1237133	226292	885255	936984	336412	1150052	1235034	1159857	364840
PC 34:4	8.936	754.53851	[M+H]+	Positive	4431096	5624599	4554388	5048729	4908106	7159155	6416218	40996712	48160047	34025367	36483456	41487778	33611367	42125043	28453613	49985037	34738143	45112351	20240538
PC 34:3|PC 16:1_18:2	9.095	756.5542	[M+H]+	Positive	13857370	185936186	191994321	229786201	187685000	187185132	206636687	196052384	290013598	191735042	146336883	252857617	255494742	258472693	193632379	243575311	252908165	249083478	228273778
PC 34:2|PC 16:1_18:1	9.569	758.56885	[M+H]+	Positive	88316190	2259502963	2181069865	2185885878	2454853470	2399193797	2360890592	2215782498	2233816957	2337838572	2056786144	2198312510	2158850339	2066574167	1888124579	1993346754	1924917099	1871223024	1886656292
SM 38:1;O2	12.038	759.63672	[M+H]+	Positive	1292946	37462524	36037797	32127903	34755633	45175726	34127811	43236571	14056087	30876246	41908945	37073944	18544302	29027114	30836028	28040833	18626090	26737231	14265878
PC 34:1|PC 16:0_18:1	10.079	760.58478	[M+H]+	Positive	64765020	1112993524	995110006	1231227959	1113934839	1098356273	1071779947	1209518839	1231719416	1375305644	1204688174	1323897978	1347780012	1267695351	1379350791	1479272931	1299590936	1244936606	1388251302
PC 34:0	11.515	762.60077	[M+H]+	Positive	6502520	176492083	142912291	152630632	144618538	154116835	139265313	154627924	90221983	101288443	98120008	85866395	91122272	84920272	108501171	93038816	77003966	90386883	79011828
PE 38:6|PE 18:2_20:4	9.292	764.52319	[M+H]+	Positive	491285.7	2784880	1764796	2575961	3605361	3299336	5235585	793304	703663	522230	376981	399677	2828293	916747	5635407	2111963	1569580	3127036	2128853
PE 38:5|PE 18:1_20:4	9.322	766.53583	[M+H]+	Positive	1481388	16512051	14230413	15630711	17565030	19243131	19504984	13977356	11543764	13372728	11943248	9339961	11663512	9735242	9936912	9086187	8220412	9906096	8357726
PE 38:4|PE 18:0_20:4	10.037	768.55341	[M+H]+	Positive	318165.1	2628152	1763873	2130378	2168724	2913555	2400724	1560238	1324174	788784	1076279	219024	2793940	1409616	3142196	1100384	1487099	1778721	1327252
PC 35:4|PC 15:0_20:4	9.168	768.55432	[M+H]+	Positive	1247030	7669927	6078265	7746349	6581257	6467323	8622962	7329803	7244152	6750697	7116471	8828888	7079391	10131618	7529537	11748276	9359315	11802557	5219881
LNAPE 20:3/N-18:0	9.688	768.55865	[M-H]-	Negative_FA	241587.6	1396892	1161050	1475535	1527016	941622	1328734	2119191	1981911	1863306	1694430	1554533	2240720	1889516	1418344	1765329	1909399	2024920	1424350
PC 35:3	9.33	770.56982	[M+H]+	Positive	2745307	20538594	19132311	21865225	23056352	22442149	29447706	19034931	16902686	17924595	13976361	14129364	16489060	16171135	11551260	17561680	16467376	17273869	11459420
LNAPE 18:2/N-20:0	10.188	770.56995	[M-H]-	Negative_FA	457444.6	4411871	4478400	4732791	4810142	4715762	4654911	5384057	5868714	6177404	5034299	4153110	4923760	4779353	4727620	4303097	4514565	4026364	4636415
PC 35:1	10.558	774.60065	[M+H]+	Positive	2726217	65569826	48662760	61986852	59905341	55699052	53569736	61049794	55141883	69375613	51875391	48766692	55839278	45809486	63430950	71992220	59350957	50268747	46706461
PC 36:5|PC 16:1_20:4	9.078	780.55365	[M+H]+	Positive	4718837	58840177	98394090	52768539	63644957	64563213	102265701	64059618	59309627	80464822	72943505	54711408	67459397	77053921	55789258	73370745	104520523	65427995	69803101
PC 36:4|PC 16:0_20:4	9.417	782.56909	[M+H]+	Positive	84317380	678986499	671310610	718001355	748261371	631043970	655587548	739425690	663926394	823965937	777502166	832915064	708290970	863136463	826955733	885839280	856605581	902915459	754080623
PC 36:4|PC 18:2_18:2	9.15	782.56946	[M+H]+	Positive	35008270	349276606	326869308	351583940	364217177	424015079	494009164	332306309	424441628	359509577	292478534	261087833	322305815	276697551	216172383	229809479	249085925	180133545	178927500
Flavin Adenine Dinucleotide	4.101	784.15155	[M-H]-	Negative_NH4HCO3	86415.25	39317	22106	23364	55526	44044	0	23921	0	55696	21497	0	25575	64476	0	27673	37725	25847	30273
PC 36:3|PC 16:0_20:3	9.682	784.58478	[M+H]+	Positive	44618220	386841287	356875675	410632269	409190713	350680490	364077411	438892436	399698349	555635627	458080990	460430737	482277444	434200055	428670951	485548564	512057825	422435731	448562725
SM 40:2;O2|SM 18:2;O2/22:0	11.793	785.6532	[M+H]+	Positive	8719667	118673228	101164559	40784971	93666520	154604814	120844500	182070717	260168697	210887536	154175027	498335160	204910656	305022279	342328121	344398339	224424138	286479188	316402883
PC 36:2|PC 18:0_18:2	10.17	786.60077	[M+H]+	Positive	103639700	1781551878	1680476109	1646724527	1742241380	1776567139	1716597897	2100095916	2324316314	2177883955	1838532398	1876526138	2071210141	1696521734	1866176359	1727436264	1591554376	1461033017	1882439448
PC 36:1|PC 18:0_18:1	11.448	788.61597	[M+H]+	Positive	53610080	734550604	694799332	707844827	673682424	668859649	575343416	1177527944	1262212464	1277214933	1054505122	1088155092	1054341193	914544904	1172285593	1246661067	962886494	871753505	1065435794
PE 40:7|PE 18:1_22:6	9.172	790.53558	[M+H]+	Positive	279725.7	1057928	811661	1183027	1196894	928981	1133760	839213	825632	974051	1167543	1651845	1246138	1976658	1552087	1997106	1707920	2257259	877462
PC 35:2	9.856	794.56677	[M+Na]+	Positive	2797950	33910199	28461126	31380676	33164660	37400990	40073431	19024863	18565501	18745505	16328540	16244698	17412183	15389277	14346806	13572846	13660965	11865473	12696680
PC 37:2|PC 19:0_18:2	10.727	800.61652	[M+H]+	Positive	8354812	215887612	174450842	180401981	254535615	240113769	258179673	136842545	104391176	153499459	137308831	131734015	106525958	86313879	115941664	91540568	91018181	75386513	79113041
PC 38:7_2	8.942	804.55371	[M+H]+	Positive	1189341	12007554	8645271	10312476	9339995	9501821	9864397	9684476	7254754	12596999	11057371	11919032	9008609	10659089	11707768	12902984	11969513	12245065	7935875
PC 38:6|PC 16:0_22:6	9.234	806.56891	[M+H]+	Positive	94100180	661337151	587130966	655628339	684862177	657129015	626710482	502834167	430691101	551301337	559360304	556000015	469486115	481632887	583962952	562773146	529823888	527078186	522834164
PC 38:6|PC 18:2_20:4	9.015	806.56958	[M+H]+	Positive	16820020	111087081	116029129	102130839	123134732	99305081	140847747	93643400	93465577	104643704	96864944	93932138	99174524	114052846	83302278	109831040	122335131	95070348	63499103
PC 38:5|PC 18:1_20:4	9.409	808.58502	[M+H]+	Positive	11311970	93858036	105775653	105790132	91297457	88266341	96873751	102497477	90105590	101582603	85855009	112275358	98798028	137093961	127075140	170518691	163230547	146911679	118544661
PC 38:4|PC 18:0_20:4	9.965	810.60083	[M+H]+	Positive	61597480	502307097	510985131	425241962	454218435	425700320	391871405	506370688	478651720	472058541	537839373	531373244	439278594	487081863	568013095	539685339	552595050	570273254	514635038
PC 38:3|PC 18:0_20:3	10.324	812.61627	[M+H]+	Positive	24813780	236984528	215867078	210647524	215284622	178867378	177501797	287044590	242486069	296039536	239687720	268507028	244831350	237634585	264050396	303981530	313206972	239054193	253858700
PC 38:2	11.651	814.63202	[M+H]+	Positive	6362582	165627574	170684554	144276644	173871987	153536840	164359899	143126994	126342846	135451602	137610176	94151842	114622550	104859793	116646377	79584618	98257365	97145085	111253123
PC 39:5	9.669	822.60065	[M+H]+	Positive	176761.7	664366	744110	311649	350448	370247	621250	451781	517346	656033	0	572811	159598	829374	1095587	1233826	1585583	1037312	942187
PC 39:4	10.318	824.61578	[M+H]+	Positive	276155.2	13523216	11894403	10323972	14281969	10671151	12151637	8420414	5381272	8049977	7261635	9297997	6744527	7983773	10297136	9699158	10422261	9895457	6800106
PC 40:9|PC 20:4_20:5	8.598	828.55237	[M+H]+	Positive	259176.1	1245245	1241103	949730	861985	758545	1499800	815556	402180	777250	733567	360318	570736	930692	253874	1049992	1402285	812532	150432
PC 40:8|PC 20:4_20:4	8.868	830.56885	[M+H]+	Positive	4425035	39558451	33311534	33630779	37230281	33363615	40380384	23407677	27096149	28471590	26690114	23188052	25404376	28888590	23346030	30227255	34660041	24469818	14392627
PC 40:7|PC 18:1_22:6	9.234	832.58521	[M+H]+	Positive	6590160	42719897	40361825	44023861	43068855	38726535	47303929	35379056	33707291	33058167	28074262	39006503	35671399	44337585	49029549	62042800	59288460	44673441	34612668
PC 40:6|PC 18:0_22:6	9.736	834.60059	[M+H]+	Positive	8495386	203560350	195854228	183779263	190717868	192177990	159723565	133506639	101381556	142496556	147829037	117505890	123246295	100248623	140812313	112971292	139352485	96680180	139600149
PC 40:5	9.931	836.61597	[M+H]+	Positive	3702622	23315341	23272000	24245415	21998442	21712835	21878450	24473801	21767297	21345752	20982734	22823559	24291401	27182818	27748394	31462000	29969438	33055773	24659832
PC 40:4|PC 18:0_22:4	10.571	838.63098	[M+H]+	Positive	1643015	23256586	24316761	22116330	20137807	18406976	15807791	21452788	21443901	21764781	19211626	19533679	18313551	19040420	30645725	26117376	23768286	19467836	21352888
Eplerenone	6.441	851.39771	[M+H]+	Positive	1606704	6089777	5503228	8508725	6312648	7877680	6931113	8588784	8242198	6173167	11122303	14362763	4292230	4167466	9164728	5342742	16059772	6005869	10156545
PC 42:10|PC 20:4_22:6	8.733	854.56958	[M+H]+	Positive	942476.1	7187821	5720874	5504901	6781635	4360333	6532211	4120546	4911224	5885098	5097452	4378671	4781969	6555074	4760940	6188576	8609777	5950824	2350740
PC 42:8|PC 20:2_22:6	9.288	858.59778	[M+H]+	Positive	226060.3	2220493	1607253	1304813	2112092	1686533	2612063	977192	868260	395271	236136	700712	746234	1678772	1125388	1612300	2064649	1452185	1337821
PI 38:4	12.18	885.55438	[M-H]-	Negative_FA	858530.8	26766123	32851276	34564074	32509369	33208686	29386224	34811918	45320351	24942011	21537964	33614661	36064227	45776101	33881784	43386284	40086432	33411403	22893318
