Metabolite_name	RefMet_name	S00016738	S00016739	S00016740	S00016741	S00016742	S00016748	S00016749	S00016750	S00016751	S00016752	S00016743	S00016744	S00016745	S00016746	S00016747
Factors	-	stress:N | treatment:None	stress:N | treatment:None	stress:N | treatment:None	stress:N | treatment:None	stress:N | treatment:None	stress:Y | treatment:+Lacto	stress:Y | treatment:+Lacto	stress:Y | treatment:+Lacto	stress:Y | treatment:+Lacto	stress:Y | treatment:+Lacto	stress:Y | treatment:None	stress:Y | treatment:None	stress:Y | treatment:None	stress:Y | treatment:None	stress:Y | treatment:None
10-HYDROXYDECANOATE (CAS# 1679-53-4); (M-H)-	10-Hydroxydecanoic acid	5593			2482			2314		1887	2746	6400	10686	4035		
11-DEOXYCORTISOL (CAS# 152-58-9); (M+CL)-	11-Deoxycortisol	20959	7176	23259	20352	4750	17763	22821	25337		25384		10551	13015	19380	2265
11-DEOXYCORTISOL (CAS# 152-58-9); (M+HCOO)-	11-Deoxycortisol	129330		147362	125450		100679	147887	110183	105188	165063		76542	78436	94445	70907
16:0-18:0 PC (CAS# 59403-51-9); (M+CL)-	PC 16:0_18:0						5970	1924		5523	1950	46564	3618		5759	
16:0-18:0 PC (CAS# 59403-51-9); (M+HCOO)-	PC 16:0_18:0													29619		
16:0 LYSO PC (CAS# 17364-16-8); (M+CL)-	LPC 16:0	5728	8252	6785	6564	3471	5728		8204		7124					
16:0 LYSO PC (CAS# 17364-16-8); (M+HCOO)-	LPC 16:0	290151	290871	321117	281836	154581	310031	279558	275967	242835	275703	402452	316582	359738	327028	307274
17ALPHA-HYDROXYPROGESTERONE (CAS# 68-96-2); (M+CL)-	17alpha-Hydroxyprogesterone	1036														
18:0 LYSO-PE (CAS# 69747-55-3); (M-H)-	LPE 18:0	22703	23439	19938	20702	35671	31980	59770	56202	20706	19632	51225	28634	42966	25044	29139
1-OLEOYL-RAC-GLYCEROL (CAS# 111-03-5); (M+HCOO)-	MG 18:1	13612	14750	9524	14845	10896	19448	12465	12094	9815	24392	45325	27936	21451	13549	10344
20:0 LYSO PC (CAS# 108341-80-6); (M+HCOO)-	LPC 20:0	17165						1483	1706			4014		1245		
24:0 SM (D18:1/24:0) (CAS# 60037-60-7); (M+HCOO)-	SM 18:1;O2/24:0							7620								
2^-DEOXYGUANOSINE (CAS# 961-07-9); (M+CL)-	Deoxyguanosine		133953		151564	125798		254003								
2^-DEOXYINOSINE (CAS# 890-38-0); (M-H)-	Deoxyinosine						7019			25130					4129	
2-HYDROXY-3-METHYLBUTYRIC ACID (CAS# 4026-18-0); (M-H)-	2-Hydroxy-3-methylbutyric acid	836822	818603	630070	763167	355531	953406	791751	678793	929250	919254	893210	942644	934324	1256203	770273
2-HYDROXY-4-(METHYLTHIO)BUTYRIC ACID (CAS# 583-91-5); (M-H)-	2-Hydroxy-4-(methylthio)butanoic acid	26456	10307	19760	17439	5142	7030	6986	14691		5674	14453	5958	7868	8976	6870
2-HYDROXYBUTYRATE (CAS# ); (M-H)-	2-Hydroxybutyric acid	60291	32603	54448	42226	28710	58843	39145	32327	57404	47293	47720	60255	42469	60641	48748
2-METHYLGLUTARIC ACID (CAS# 18069-17-5); (M-H)-	2-Methylglutaric acid	1909	55125	54799	58418	24430	81905	55474	65871	107655	86915	104263	5262	81264	108314	72267
2-METHYLMALEATE (CAS# 498-23-7); (M-H)-	Citraconic acid	88887	70322	106131	78629	64181	128332	84722	105842	136349	126980	124870	93021	123982	136024	106208
3-(4-HYDROXYPHENYL)LACTATE (CAS# 6482-98-0); (M-H)-	Hydroxyphenyllactic acid	335649	96549	195805	157551	89876	168251	98990	156244	146836	150434	174797	214680	191963	148342	150186
3-(4-HYDROXYPHENYL)PYRUVATE (CAS# 156-39-8 ); (M-H)-	4-Hydroxyphenylpyruvic acid	4661												1700		
3BETA-HYDROXY-5ALPHA-PREGNAN-20-ONE (CAS# 516-55-2); (M+CL)-[-H2O]	3beta-Hydroxy-5alpha-pregnan-20-one							1948								
3-HYDROXY-3-METHYLGLUTARATE (CAS# 503-49-1); (M-H)-	3-Hydroxymethylglutaric acid	189302	42389	105599	47330	62474	71596	107633	165985	145149	136509	66914	229873	70603	88993	67310
3-HYDROXYPHENYLACETATE (CAS# 621-37-4); (M-H)-	3-Hydroxyphenylacetic acid	11180	3856	4401	8365	6964	6969	4261	12744	3894	4082	6929	5781	6087	3530	7321
3-METHYGLUTARIC ACID (CAS# 626-51-7); (M-H)-	Methylglutaric acid	93105	55130	54799	58418	24430	82061	56754	68504	107718	86915	104489	4132	81264	108355	74476
3-METHYLADIPIC ACID (CAS# 3058-01-3); (M-H)-	3-Methyladipic acid	128325	88541	88393	108136	36985	131632	92194	120065	188598	128839	178182	144705	135057	171646	126053
3-NITRO-L-TYROSINE (CAS# 621-44-3); (M-H)-	Nitrotyrosine			8544			14396			17376	10935	10644		8062	11695	11001
3-SULFINO-L-ALANINE (CAS# 1115-65-7); (M-H)-	3-Sulfino-alanine									3038					7640	
3-UREIDOPROPIONIC ACID (CAS# 462-88-4); (M-H)-	Ureidopropionic acid	19263		25883												
4-COUMARATE (CAS# 501-98-4); (M-H)-	cis-p-Coumaric acid	48886	42013	33501	29006	22525	34923	27106	33026	16440	35120	41202	35458	63569	14620	41094
4-HYDROXY-2-QUINOLINECARBOXYLIC ACID-KRYNURENIC ACID (CAS# 492-27-3); (M-H)-	Kynurenic acid	24076		27158		5027	15546		7665			10958		10969	14656	
4-HYDROXYBENZOATE (CAS# 99-96-7); (M-H)-	4-Hydroxybenzoic acid	14860	9476	11917		12247	7630	6993	17339			10898		9417		
4-METHYL-2-OXOPENTANOATE (CAS# 816-66-0); (M-H)-	Ketoleucine	1844273	1206498	2301377	1035309	533215	1788437	1194828	1162835	1545404	1244894	1657439	1548564	1631288	2145541	1810798
4-METHYL-2-OXOVALERIC ACID (CAS# 816-66-0); (M-H)-	Ketoleucine	1844050	1206353	2301904	1035402	529899	1788165	1194741	1162728	1545337	1244793	1657579	1548413	1631148	2145282	1810683
4-NITROBENZOIC ACID (CAS# 62-23-7); (M-H)-	4-Nitrobenzoic acid				77165		29691				31036		32540			
4-NITROPHENOL (CAS# 100-02-7); (M-H)-	4-Nitrophenol	14995	8173	9720	8435	4438	18041	13742	17031	14790	9461	10425	12288	12248	11947	15327
4-PYRIDOXATE (CAS# 82-82-6); (M-H)-	4-Pyridoxic acid	106427	51691	87833	65496	22556	79997	54643	41680	109635	103056	86368	103333	46944	107497	
5-AMINOPENTANOATE (CAS# 660-88-8); (M-H)-	5-Aminopentanoic acid					3811								1744		
5^-DEOXYADENOSINE (CAS# 4754-39-6); (M+HCOO)-	5'-Deoxyadenosine			8680	7319	5620				5514	8220	9875	8704	5034	5016	5124
5-HYDROXY OMEPRAZOLE (CAS# 92340-57-3); (M-H)-	5-Hydroxyomeprazole									1413						
5-HYDROXYTRYPTOPHAN (CAS# 4350-09-8); (M-H)-	5-Hydroxy-tryptophan		5696	14206	17278	5813	7180					8991			11498	
5-METHYLTETRAHYDROFOLATE (CAS# 134-35-0); (M-H)-	5-Methyl-THF								1676							
5^-METHYLTHIOADENOSINE (CAS# 2457-80-9); (M+CL)-	5'-Methylthioadenosine	24996	14798	22880	19854	8611	15912	20102	29862	14727	21908	23479	14555	22159	22903	21914
5^-METHYLTHIOADENOSINE (CAS# 2457-80-9); (M+HCOO)-	5'-Methylthioadenosine	20735	13132	19433	18145	8234	16323	20445	24065	14884	19304	20455	14313	18947	19858	17818
5-OXOPROLINE (CAS# 4042-36-8); (M-H)-	Pyroglutamic acid	281702	178108	244995	276377	376623	193022	165860	190211	192642	180210	234477	176949	218678	225001	197085
5-VALEROLACTONE (CAS# 542-28-9); (M+HCOO)-	5-Valerolactone	122581					128821	70647		74984	78902				110628	133466
6-CARBOXYHEXANOATE (CAS# 111-16-0); (M-H)-	Pimelic acid	128325	88541	88393	108136	36985	131632	90421	120065	188598	128839	178182	144705	135057	171646	126053
ACETOACETATE (CAS# 541-50-4); (M-H)-	Acetoacetic acid									2628			2361			
ADENOSINE 5^-MONOPHOSPHATE (CAS# 61-19-8); (2M-H)+	AMP	3439	6672	10825	6412	1215	5575	5455	17634		4871	3682	4469	5262	1969	5764
ADENOSINE 5^-MONOPHOSPHATE (CAS# 61-19-8); (M-H)-	AMP	273136	389421	547501	414750	144843	378551	327098	683617	31810	327459	306101	355485	357833	246713	364776
ADENOSINE (CAS# 58-61-7); (M+CL)-	Adenosine		133953		151564	125798		250615								
ADENOSINE (CAS# 58-61-7); (M+HCOO)-	Adenosine	12319	20470	19223	18773	22683	46237	34794	11432	18892	27587	32729	37671		20287	18935
ADIPIC ACID (CAS# 124-04-9 ); (M-H)-	Adipic acid	93105	55130	54799	58418	24430	82061	56754	68504	107718	86915	104489	4132	81264	108355	74476
ALDOSTERONE (CAS# 52-39-1); (M+CL)-	Aldosterone					1156						1807				
ALDOSTERONE (CAS# 52-39-1); (M+HCOO)-	Aldosterone			8883												
ALLOSE (CAS# 2595-97-3); (M-H)+[-H2O]	Allose	189302	43297	105162	47330	62522	71596	107633	165985	145149	136509	66914	229873	72144	88993	67310
ALPHA-HYDROXYISOBUTYRIC ACID (CAS# 594-61-6); (M-H)-	2-Hydroxyisobutyric acid	60291	32603	54448	42226	28710	58843	39145	32327	57404	47293	47720	60255	42469	60641	48748
ALPHA-KETO-GLUTARATE (CAS# 328-50-7); (M-H)-	2-Oxoglutaric acid					57431										
ALPHA-LINOLENIC ACID (CAS# 463-40-1); (M+HCOO)-	alpha-Linolenic acid	1118256	1064793	989373	1041991	945310	1075921	1045416	991457	1043223	1022296	1092179	1030333	1082035	1095207	1131306
ARACHIDIC ACID (CAS# 506-30-9); (M-H)-	Arachidic acid	97807	142590	107252	128792	48333	86027	71954	98103	59313	72473	313167	94847	227249	126598	87299
ARACHIDONATE (CAS# 506-32-1); (M-H)-	Arachidonic acid	2010010	1779158	2022087	1310166	1346443	2618733	1953069	2233753	1526140	2162462	1766319	2425583	2081517	2067045	2224887
ASPARAGINE (CAS# 70-47-3); (M-H)-	Asparagine	19263		25883												
ASPIRIN (CAS# 50-78-2); (M-H)-	Aspirin	5941												1700		
AZELAIC ACID (CAS# 123-99-9); (M-H)-	Azelaic acid	9243400	8644489	8109541	9295354	5171659	11000000	9257512	10000000	15200000	11400000	12800000	10100000	11400000	13900000	11000000
BEHENIC ACID (CAS# 112-85-6); (M-H)-	Behenic acid	77159	74811	58592	57034	43556	100157	78323	53902	71233	75213	128520	88561	127171	95171	86455
BENZOATE (CAS# 65-85-0); (M-H)-	Benzoic acid	221572	280120	262354	372268	246218	451659	328375	347818	373315	242074	470891	434666	476307	523946	615829
BETA-ALANYL-N(PAI)-METHYL-L-HISTIDINE (CAS# 584-85-0); (M-H)-	Anserine	2568	2513			1710					1086		2121	1443		1578
BETA-MALTOSE (CAS# 69-79-4); (2M+CL)-[-H2O]	Maltose		1443			2474	1837	1553	2263	1047	1572	4148	2585		1320	
BETA-MALTOSE (CAS# 69-79-4); (M+CL)-	Maltose					30796		5243		8758	3176				38491	29421
BIOTIN (CAS# 58-85-5); (M-H)-	Biotin	11462		10699	6337	2990	5442	29485						11585	15057	22344
BOC-LYS-OH (CAS# 13734-28-6); (M-H)-					7175	3722		7679		3144				2520	8941	5195
BOC-SER-OH (CAS# 3262-72-4); (M-H)-		1476	2931	2324	2709	1338	4944		3204	5365	5369	2899	6977	6414	7651	
C12 GALACTOSYL(BETA) CERAMIDE (D18:1/12:0) (CAS# 41613-14-3); (M+CL)-			2102											4216		
C12 GALACTOSYL(BETA) CERAMIDE (D18:1/12:0) (CAS# 41613-14-3); (M+HCOO)-													2549			
CAPRYLIC ACID (CAS# 124-07-2); (M-H)-	Caprylic acid	2769	9805	11365	12475		3290	1530	10037	2513		12111	2484	9909	7485	3264
CATECHOL (CAS# 120-80-9); (M-H)-	Pyrocatechol	100406		36922	68081	53814				49057			111921			
CELLOBIOSE (CAS# 528-50-7); (M+CL)-	Cellobiose					30796		3329	1250	8758	3176				38491	29421
CHOLATE (CAS# 81-25-4); (2M-H)-	Cholic acid			2809		179323	3002						6745		5857	11619
CHOLATE (CAS# 81-25-4); (M+CL)-	Cholic acid					56780										4180
CHOLATE (CAS# 81-25-4); (M-H)-	Cholic acid	46071	8319	142865	44392	1426158	163970	58154		21419	55249	84047	242337	65453	233703	319917
CINNAMIC ACID (CAS# 140-10-3); (M-H)-	trans-Cinnamic acid	2504	8141	4726	14041		21860	11795	11648	22256	11670	18354	22955	21525	34179	35935
CIS-11-EICOSENOIC ACID (CAS# 5561-99-9); (M-H)-	cis-Gondoic acid	318724	447330	305537	279092	45305	266214	229185	252092	182524	253243	535708	335062	546691	437038	319355
CIS-VACCENIC ACID (CAS# 506-17-2); (M-H)-	cis-Vaccenic acid	4857225	4761500	3815664	3981855	1808417	4484694	4329974	3753399	4500695	4470566	4382405	4242918	4475934	4725026	4847601
CIS-ZEATIN (CAS# 1637-39-4); (M+CL)-	cis-Zeatin	1239309	1203315	1330137	1245168	830772	1307200	1184451	1245548	1317596	1212306	1345946	1296813	1274004	1514674	1351106
CIS-ZEATIN (CAS# 1637-39-4); (M-H)-	cis-Zeatin	3004808	3021564	3260798	3123528	2056407	3250212	2944483	3168536	3282125	2978874	3418841	3261840	3196678	3718003	3245211
CITRAMALATE (CAS# 2306-22-1); (M-H)-	Citramalic acid						6712									
CITRATE (CAS# 77-92-9); (M-H)-	Citric acid	1406195	397033	645222	498319	424001	653652	401843	456669	466471	516209	541273	565048	595746	529779	582470
CITRULLINE (CAS# 372-75-8); (M-H)-	Citrulline		3423			46992			3409			9085	5976		19996	
CORTICOSTERONE (CAS# 50-22-6); (M+CL)-	Corticosterone	24178	7176	22963	19705	5340	22398	22832	25337		29075			17062	19380	13880
CORTICOSTERONE (CAS# 50-22-6); (M+HCOO)-	Corticosterone	129330		147263	123261		102606	147887	110183	105188	167799		76542	78436	96842	70907
CORTISOL 21-ACETATE (CAS# 50-03-3); (M+CL)-	Cortisol 21-acetate		2029					6548						5481		
CORTISOL 21-ACETATE (CAS# 50-03-3); (M+HCOO)-	Cortisol 21-acetate				8590				11557				9246			
CYCLOHEPTANECARBOXYLIC ACID (CAS# 1460-16-8); (M+HCOO)-	Cycloheptanecarboxylic acid	9243400	8644645	8110552	9295354	5171659	11000000	9257512	10000000	15200000	11400000	12800000	10100000	11400000	13900000	11000000
CYTIDINE (CAS# 65-46-3); (M+CL)-	Cytidine		10791		4669						2712		5766	4563	6567	
D-(-)-ARABINOSE (CAS# 10323-20-3); (M+HCOO)-	Arabinose	407104				214725	329606	230927	12710	28040	55646		279713	293740		
DECANOATE (CAS# 334-48-5); (M-H)-	Capric acid		12809	11191	11033	6895	10782	10463	12192	8940	11101	19087	27225	14211	11866	10973
DEHYDROASCORBATE (CAS# 490-83-5); (M+CL)-	L-Dehydroascorbic acid		2808													
DEHYDROASCORBATE (CAS# 490-83-5); (M-H)-	L-Dehydroascorbic acid	66554	47249	75453	47791	62455	69188	37891	55177	44483	43095	64039	50563	61729	64755	68371
DEOXYADENOSINE (CAS# 16373-93-6); (M+CL)-	Deoxyadenosine	13666	11763	16146	16277	5411	16818	11852	18221	16904	14790	11072	18768	10856	17954	15795
DEOXYCHOLIC ACID (CAS# 83-44-3); (2M-H)-	Deoxycholic acid					1922										1670
DEOXYCHOLIC ACID (CAS# 83-44-3); (M+CL)-	Deoxycholic acid					2274										
DEOXYCHOLIC ACID (CAS# 83-44-3); (M-H)-	Deoxycholic acid	80727	34560	6658	37568	108532	95690	13441	35668	68450	86304	73344	12747	27496	18881	107103
DEOXYCYTIDINE (CAS# 951-77-9); (M+CL)-	Deoxycytidine							1077								
DEOXYCYTIDINE (CAS# 951-77-9); (M+HCOO)-	Deoxycytidine														1337	
DEOXYURIDINE (CAS# 951-78-0); (M+CL)-	Deoxyuridine	1595850	1002732	1603193	1610047	1131638	1701970	1225080	935561	1305273	1315714	1353556	1146489	1105725	1861465	1602125
DEOXYURIDINE (CAS# 951-78-0); (M-H)-	Deoxyuridine	113583	86092	130918	121402	120811	131442	99645	75971	103413	100085	117036	90093	86439	142162	120084
DEOXYURIDINE (CAS# 951-78-0); (M+HCOO)-	Deoxyuridine	131691	81609	129568	130490	124674	140725	101316	77936	102928	101911	112757	90402	81629	139085	126148
DGMP (CAS# 902-04-5); (M-H)-	dGMP	277968	125184	143686	414750		111464	109778	169912	31810	94992	306101	96780	357833		66152
DIACETYL (CAS# 431-03-8); (M+HCOO)-	Diacetyl	71775	23958	31382	35035	21793	31250	26825	26196	40577	29451	46187	73634	31018	35878	38157
D-LYXOSE (CAS# 1114-34-7); (M+CL)-	Lyxose							1833					1676			
D-LYXOSE (CAS# 1114-34-7); (M-H)-	Lyxose								4264				4653			4028
D-LYXOSE (CAS# 1114-34-7); (M+HCOO)-	Lyxose	396265				214634	323429		12710		54727		278846	286368		
DOCOSAHEXAENOIC ACID (CAS# 6217-54-5 ); (M-H)-	Docosahexaenoic acid	1372782	1322802	681748	510379	378133	1328155	1061353	635159	1452130	1331867	660395	933141	890482	994870	1335607
D-ORNITHINE (CAS# 348-66-3); (M-H)-	D-Ornithine	3030														
D-PSICOSE (CAS# 551-68-8); (M+CL)-	Psicose				10700000	10400000			1062462							
D-TAGATOSE (CAS# 87-81-0); (M+CL)-	D-Tagatose				10700000	10400000			1062462							
DUMP (CAS# 964-26-1); (M-H)-	dUMP									4320			4941			
ELAIDIC ACID (CAS# 112-79-8); (M-H)-	Elaidic acid	4857225	4761500	3815789	3981860	1808417	4484806	4329814	3753399	4500770	4470533	4382405	4242919	4475893	4727030	4847604
EPIBRASSINOLIDE [ISTD] (CAS# 78821-43-9); (M+CL)-	24-epi-Brassinolide	633452	604289	623988	565856	315538	708455	553179	562613	735274	598020	702252	651282	612255	791098	750785
EPIBRASSINOLIDE [ISTD] (CAS# 78821-43-9); (M+HCOO)-	24-epi-Brassinolide	6606583	6140651	6719007	6119140	3519509	7586066	5896462	5992817	7755968	6188984	7573159	7033249	6258573	7871983	7624320
ERUCIC ACID (CAS# 112-86-7); (M-H)-	cis-Erucic acid	24692	31264	17287	24115	2997	15271	11781	11926	8326	10487	123009	25583	54354	22622	15395
ETHYLMALONIC ACID (CAS# 601-75-2); (M-H)-	Ethylmalonic acid	24910	13119	17916	10386	4684	32094	8223	12263	21164	22605	27801	28172	24144	27978	28043
FERULATE (CAS# 1135-24-6); (M-H)-	trans-Ferulic acid	7735			1884	2471	6441		3171		5862	5080	5073	6834		3614
FRUCTOSE (CAS# 57-48-7); (M+CL)-	Fructose				10700000	10400000			1062462							
FRUCTOSE (CAS# 57-48-7); (M+HCOO)-	Fructose	36592	33177	36097	29920	11674	37123	28341	39179	35771	25537	38755	36067	29775	44534	32585
FUMARATE (CAS# 110-17-8); (M-H)-	Fumaric acid	51753	12768	25375	25535	31298	25030		11146	21042	20676	23980	25126	25420	28230	25133
GAMMA-BUTYROLACTONE (CAS# 96-48-0); (M+HCOO)-	gamma-Butyrolactone	71852	31411	31382	35035	21976	32268	22561	26196	40577	29451	46184	73634	31018	35878	38157
GAMMA-L-GLUTAMYL-L-CYSTEINE (CAS# 686-58-8); (M-H)-	gamma-Glutamylcysteine					3352					6612			2413	2009	
GAMMA-LINOLENIC ACID (CAS# 506-26-3); (M+HCOO)-	gamma-Linolenic acid	1118256	1064793	989373	1041991	945310	1075921	1045416	991457	1043223	1022296	1092344	1030333	1082035	1095207	1131306
GIBBERELLIC ACID [ISTD] (CAS# 77-06-5); (2M-H)-	Gibberellin A3	12550	10961	13833	13418	4430	13876	10688	13205	13503	10506	16524	13515	12804	18617	14950
GIBBERELLIC ACID [ISTD] (CAS# 77-06-5); (M+CL)-	Gibberellin A3	2096	3452						7970							21888
GIBBERELLIC ACID [ISTD] (CAS# 77-06-5); (M-H)-	Gibberellin A3	436799	444375	476250	470581	256251	480809	423930	450181	489096	412598	524877	486906	462255	564459	503745
GLUCARIC ACID (CAS# 87-73-0); (M-H)+[-H2O]	Glucaric acid	338475	176192	341391	197687	8903	260708	134549	357883	173175	134327	350560	212874	219789	256141	240325
GLUCONIC ACID (CAS# 526-95-4); (M-H)-	Gluconic acid	407104			645071	214725	329606	230927	12710	28040	166683	33327	279713	293740		
GLUCOSE (CAS# 50-99-7); (2M+CL)-[-H2O]	Glucose					30796		3329	1250	8758					38491	2440
GLUCOSE (CAS# 50-99-7); (M+CL)-	Glucose				10700000	10400000			1062462							
GLUTAMATE (CAS# 56-86-0); (M-H)-	Glutamic acid					13673			38540					48044		
GLUTAMINE (CAS# 56-85-9); (M-H)-	Glutamine	66550					54735		50074			86936	89340			52016
GLUTARATE (CAS# 110-94-1); (M-H)-	Glutaric acid	71852	31411	31382	35035	21976	32268	22561	26196	40577	29451	46184	73634	31018	35878	38157
GLUTATHIONE (CAS# 27025-41-8); (M-H)-	Glutathione	94146	72205	96763	76098	35178	68527	81139	245022	57548	88758	55493	75560	108867	91095	115741
GLYCERALDEHYDE (CAS# 367-47-5); (2M-H)-[-H2O]	Glyceraldehyde	189302	42389	105599	47330	62474	71596	107633	165985		136509		229873	70603	88993	67310
GLYCERATE (CAS# 473-81-4); (M-H)-	Glyceric acid			2673												
GLYCEROL 2-PHOSPHATE (CAS# ); (M-H)-	sn-Glycero-2-phosphate	2858	2864	12694	6956					5564	14029	3463				9573
GLYCINE (CAS# 56-40-6); (M-H)-	Glycine															1416
GLYCOCHOLATE (CAS# 475-31-0); (M-H)-	Glycocholic acid					51728										
GLYCOLITHOCHOLATE (CAS# 474-74-8 ); (M-H)-	Glycolithocholic acid															6332
GUANINE (CAS# 73-40-5); (M-H)-	Guanine	6799	2804				4918	1551			3126		5879	5673		4526
GUANOSINE 5^-PHOSPHATE (CAS# 85-32-5); (M-H)-	GMP		31327	46785	37052	16087	24980	17628	59737		29771	29747		42288	25456	38012
GUANOSINE (CAS# 118-00-3); (M+CL)-	Guanosine									6944						
HEPTADECANOATE (CAS# 506-12-7); (M-H)-	Margaric acid	324513	327982	364637	378410	187116	318808	286608	333685	289242	314944	352563	300256	356084	353061	329562
HEXACOSANOIC ACID (CAS# 506-46-7); (M-H)-	Cerotic acid	17296	19024	18108	16100	12227	15977	13110	13383	15980	17269	35272	18819	36525	26796	21792
HEXANOATE (CAS# 142-62-1); (M-H)-	Caproic acid	1773								3852		4116	2557		2893	2650
HIPPURATE (CAS# 495-69-2); (M-H)-	Hippuric acid	28100000	24300000	24200000	25700000	9245691	31500000	26200000	28000000	30100000	26000000	31700000	33800000	32100000	34200000	27000000
HOMOVANILLATE (CAS# 306-08-1); (2M-H)-	Homovanillic acid						1689		1703	3189			2985			2318
HYODEOXYCHOLATE (CAS# 83-49-8); (M-H)-	Hyodeoxycholic acid	716988	656026	799286	749032	2694829	818587	669970	727359	719112	730349	665508	722300	610414	737215	727859
HYPOXANTHINE (CAS# 68-94-0); (M-H)-	Hypoxanthine	107234		57011	52680	46291	10269	29417	44896	243210	71641	68242		50744	190044	
IBUPROFEN CARBOXYLIC ACID (CAS# 15935-54-3); (M-H)-					1486											2101
INDOLE-3-ACETATE (CAS# 87-51-4); (M-H)-	Indoleacetic acid								1322							
INDOLE-3-PYRUVIC ACID (CAS# 392-12-1); (M-H)-	Indolepyruvate	6481	4397	4585	1679	2269	5129	2473	6040	6630	4565	3853	5688	4079	4828	2780
INOSINE 5^-DIPHOSPHATE (CAS# 86-04-4); (M-H)-	IDP								1195							
INOSINE 5^-PHOSPHATE (CAS# 131-99-7); (M-H)-	IMP									1863						
INOSINE (CAS# 58-63-9); (M+CL)-	Inosine						173113			473782		190440			254250	
INOSINE (CAS# 58-63-9); (M-H)-	Inosine	630903	163984	465273	174522	62684	528970	423915	308679	1272254	550735	486727	1045061	313157	1151356	470448
ISOCITRATE (CAS# 320-77-4); (M-H)-	Isocitric acid	1404769	391216	637556	495539	419485	647966	399154	460343	462595	513213	535791	561184	591595	525730	577121
ISOLEUCINE (CAS# 73-32-5); (M-H)-	Isoleucine	144868	76729	143897	11338		146443	74892	115852	136663		128805	149270	128118	160616	70563
ITACONATE (CAS# 97-65-4); (M-H)-	Itaconic acid	16997	19202	8994	6397		10563		8378	13542	23894	60372	52229	23247		18920
JASMONIC ACID [ISTD] (CAS# 77026-92-7); (2M-H)-	Jasmonic acid	36988	43304	48103	43699	13365	43114	36675	39824	45809	38722	52503	42997	41946	58456	47316
JASMONIC ACID [ISTD] (CAS# 77026-92-7); (M-H)-	Jasmonic acid	1849812	1895511	2038429	1872180	1095640	2038553	1887177	1793118	2143174	1866915	1982720	1968162	1924931	2199534	1927470
KYNURENINE (CAS# 343-65-7); (M-H)-	Kynurenine					11409			14040							
L-[15N]ANTHRANILIC ACID [ISTD] (CAS# ); (M-H)-	2-Aminobenzoic acid		237293	240752	261130	147375	255152	218547	235907	246694	233444	275659	245575		314358	
LACTOSE (CAS# 63-42-3); (M+CL)-	Lactose					30796		3329	1250	8758	3176				38491	29421
LACTOSE (CAS# 63-42-3); (M-H)-	Lactose						1198			1192					1384	1533
L-ARGININE (CAS# 74-79-3); (M-H)-	Arginine	3248			4590		4126		2748		2509		4374	3682	3231	
LAURIC ACID (CAS# 143-07-7); (M-H)-	Lauric acid	42050	33966	27491	33625	24441	38711	35314	32435	33507	31339	44344	43519	39144	38524	43836
LEUCINE (CAS# 328-39-2); (M-H)-	Leucine	144868	76729	243433	11338		146443	74892	115852	136663		128805	151082	128118	160616	70812
LEUKOTRIENE B4 (CAS# 71160-24-2); (M-H)-	LTB4	35383	17341	50097	33217	8045	37280	12252	6243	7392	27253	9739	37395	6559	45285	32089
L-GULONATE (CAS# 6322-07-2); (M-H)-	Gulonic acid	396265			613284	213842	322792	131980	12710		166025	33246	278848	286367		
L-GULONATE (CAS# 6322-07-2); (M-H)+[-H2O]	Gulonic acid	42842		32126			26724	16716	56452	50890	2275		9098	37916	42293	39839
L-HISTIDINE (CAS# 71-00-1); (M-H)-	Histidine	24714		28794		53079			21978			23595	25674			14363
L-HISTIDINOL (CAS# 4836-52-6); (M-H)-	L-Histidinol				1291											
LIGNOCERIC ACID (CAS# 557-59-5); (M-H)-	Lignoceric acid	119915	109953	99929	64981	54107	105574	105321	71504	99190	100035	131320	101853	92705	101122	113906
LINOLEATE (CAS# 60-33-3); (M-H)-	Linoleic acid	4050515	3660489	3034258	3290820	2096854	3307610	3719533	2815477	4063456	3740116	3088201	2864288	3043973	3410203	4179635
LITHOCHOLIC ACID (CAS# 434-13-9); (M+HCOO)-	Lithocholic acid					2868		3034	1427							
L-RHAMNOSE (CAS# 10030-85-0); (M-H)-	Rhamnose		1565				1694		11355							
L-TRYPTOPHAN-15N2 [ISTD] (CAS# ); (M-H)-	Tryptophan	73780	61870	80643	66046	48552	73920	61780	62072	77618	64932	76824	76763	68336		74245
LYSINE (CAS# 56-87-1); (M-H)-	Lysine	3614		5975	5033	4190	5188	2586	3385	1623	2111	2327	2295	2011	2302	1958
LYSOPHOSPHATIDIC ACID (CAS# 0); (M-H)-												1296		1098		
MALATE (CAS# 97-67-6); (M-H)-	Malic acid	1558854	590423	1105345	894669	76654	1138391	518963		656429	705131		980409	1152775	1202085	1022251
MALATE (CAS# 97-67-6); (M-H)+[-H2O]	Malic acid	152286		122974	94103	78223	122606	56859	107631	70098	70988	137860	109237	126796	132714	114524
MALEIC ACID (CAS# 110-16-7); (M-H)-	Maleic acid	51753	13885	25375	25087	80436	25030		11146	21042	75227	25810	25126	33206	28230	25133
MALTOSE (CAS# 69-79-4); (M+CL)-	Maltose					30796		3329	1250	8758	3176				38491	29421
MANDELIC ACID (CAS# 611-71-2); (M-H)-	Mandelic acid	17533	15760	14685	8365	6964	10622	6484	21211	10267	6170	12572	10627	20124	10727	17753
MELIBIOSE (CAS# 585-99-9); (M+CL)-	Melibiose					30796		3329	1250	8758					38491	29421
METHYL BETA-D-GALACTOSIDE (CAS# 1824-94-8); (M+CL)-	Methyl beta-D-galactoside	154753	128325	217407	151656	116724	169599	110672	180655	138144	131387	183790	153160	168881	172573	157040
METHYL BETA-D-GALACTOSIDE (CAS# 1824-94-8); (M+HCOO)-	Methyl beta-D-galactoside	6880	26731		5101	45786				9942						
METHYLMALONATE (CAS# 516-05-2); (M-H)-	Methylmalonic acid	317762	131151	184162	179479	139339	235616	136278	126425	10754	174244	302718	298724	233657	274211	
MEVALONIC ACID (CAS# 674-26-0); (M-H)-	Mevalonic acid	92968	57902	76205	53959	18310	72825	49610	62358	78395	63226	84375	68078	58267	85507	71780
MONO-METHYL GLUTARATE (CAS# 1501-27-5); (M-H)-	Monomethyl glutaric acid	93105	57712	55082	58418	24430	82061	56754	68504	107718	86915	104489	4387	81264	108355	74476
MYRISTIC ACID (CAS# 544-63-8); (M-H)-	Myristic acid	400434	379103	354743	349060	353700	393759	372776	350351	374540	367526	309191	315182	321077	321874	395688
MYRISTOLEIC ACID (CAS# 544-64-9); (M-H)-	Myristoleic acid	23263	40001	19836	24261	9652	24932	28032	14272	37431	30814	24229	16221	28288	43767	47382
N-ACETYL-D-GLUCOSAMINE (CAS# 7512-17-6); (M+CL)-	N-Acetyl-D-glucosamine			164509	167589	151802	175468	156831	153501	190622			160464	191375		
N-ACETYL-DL-METHIONINE (CAS# 1115-47-5); (M-H)-	N-Acetylmethionine	131781	48644	72111	63109	21404	56327	41848	59787	41705	59052	80007	73018	70356	61225	60721
N-ACETYL-DL-SERINE (CAS# 97-14-3); (M-H)-	N-Acetylserine					13673								45720		
N-ACETYL-D-MANNOSAMINE (CAS# 3615-17-6); (M+CL)-	N-Acetyl-mannosamine			164509	167589	151802	175468	156831	153501	190622			160464	191375		
N-ACETYL-D-TRYPTOPHAN (CAS# 2280-01-5); (M-H)-	N-Acetyl-D-tryptophan	63565	32029	49262	29681	32031	48212	26594	30098	42165	40580	40294	39707	49886	81265	45823
N-ACETYLGALACTOSAMINE (CAS# 1811-31-0); (M+CL)-	N-Acetyl-D-galactosamine			164509	167589	151802	175468	156831	153501	190622			160464	191375		
N-ACETYLGLYCINE (CAS# 543-24-8); (M-H)-	N-Acetylglycine	21365	22536	36192	16198	12772	22534	25301	21726	35540	23549	18685	26001	22033	47176	38393
N-ACETYL-L-ALANINE (CAS# 97-69-8); (M-H)-	N-Acetylalanine	141572	87869	120314	88246	51247	102295	71714	95510	108129	82724	121037	131607	114845	105295	84555
N-ACETYL-L-ASPARTIC ACID (CAS# 997-55-7); (M-H)-	N-Acetylaspartic acid					23664	16268	16691		15769	25073					
N-ACETYL-L-LEUCINE (CAS# 1188-21-2); (M-H)-	N-Acetylleucine	456397	147886	423543	169279	54139	262699	138364	139877	221077	196480	244145	340481	232509	250364	160905
N-ACETYL-L-PHENYLALANINE (CAS# 2018-61-3); (M-H)-	N-Acetylphenylalanine	76070	27599	62981	52274	93440	52769	25163	54882	33721	18193	58441	46368	57568	24391	52922
N-ACETYLNEURAMINATE (CAS# 131-48-6); (M-H)-	N-Acetylneuraminic acid	37534	27617	36974	53552	1099	34430	19314	39640	21825	20887	50788	6957	26884	53539	51308
NERVONIC ACID (CAS# 506-37-6); (M-H)-	Nervonic acid	20049	21697	17175	12743	4329	23323	21843	6245	14419	15425	46689	28025	38965	29857	28798
NICOTINATE (CAS# 59-67-6); (M-H)-	Nicotinic acid					31436					19557	30577				26490
N-METHYL-D-ASPARTIC ACID (CAS# 6384-92-5); (M-H)-	N-Methyl-D-aspartic acid					13673			38540					48044		
N-OLEOYLGLYCINE (CAS# 2601-90-3); (2M-H)-	N-Oleoyl glycine															1065
NONANOATE (CAS# 112-05-0); (M-H)-	Pelargonic acid	13551	7895	9725	7699	6531	11323	8279	8982	12729	7711	17522	16396	12904	14270	12486
NORLEUCINE (CAS# 327-57-1); (M-H)-	Norleucine	144868	76729	103118	11338		146443	74892	115852	136663		128805	151082	128118	160616	70812
OLEIC ACID (CAS# 112-80-1); (M-H)-	Oleic acid	4857287	4761647	3814269	3974832	1808417	4483172	4329458	3752908	4499656	4470450	4383589	4246492	4475600	4726751	4847687
OMEGA-HYDROXYDODECANOIC ACID (CAS# 505-95-3); (M-H)-	12-Hydroxy lauric acid	4769										3903	6715	1898		
OMEPRAZOLE SULFONE (CAS# 88546-55-8); (M-H)-	Omeprazole sulfone									1413						
OPHTHALMIC ACID (CAS# 495-27-2); (M-H)-	Ophthalmic acid	4830	1740		8467	17301	3058	6612			7421	4115	3114	3530		8858
OROTATE (CAS# 65-86-1); (M-H)-	Orotic acid		6317	5534				2792		5877		8845		9130	11284	
OXIDIZED GLUTATHIONE (CAS# 27025-41-8); (M-H)-	Oxidized glutathione	94146	72205	96763	76098	35178	68527	81139	245022	57548	88758	55493	75560	108867	91095	115741
PALATINOSE (CAS# 343336-76-5); (M+CL)-	Palatinose					30796		3329	1250	8758	3176				38491	29421
PALMITATE (CAS# 57-10-3); (M-H)-	Palmitic acid	2912628	2932193	2769274	2900071	2740752	2780050	2704735	2493045	2664223	2630682	2567857	2840765	2649915	2968194	2916769
PALMITOLEIC ACID (CAS# 373-49-9); (M-H)-	Palmitoleic acid	1620526	1844398	991110	1149457	239775	1609632	1480569	1151202	1612401	1559546	1582036	1552048	1722614	1837321	1645176
PANTOTHENATE (CAS# 79-83-4); (M+CL)-	Pantothenic acid	30563	15029	20802	20073	10108	16876	14476	14482	14383	11076	23835	17861	22599	24257	19061
PANTOTHENATE (CAS# 79-83-4); (M-H)-	Pantothenic acid	383842	246433	333197	275720	197877	275234	245948	255610	212111	175373	351712	230394	319039	357702	281125
PENTANOATE (CAS# 109-52-4); (M+HCOO)-	Valeric acid	50427	24197	50476	35525	13077	27267		35397		23766	62476				36447
PHENYL ACETATE (CAS# 122-79-2); (M-H)-	Phenyl acetate	19465	4028		13835	2290					2653	6352	14013	15347	12146	11337
PHENYL ACETATE (CAS# 122-79-2); (M+HCOO)-	Phenyl acetate	335649	96549	195805	157551	89876	168251	98990	156244	146836	150434	174797	214680	191963	148342	150186
PHENYLALANINE (CAS# 63-91-2); (M-H)-	Phenylalanine	555061	316493	671257	359592	615845	540482	333761	486968	428589	396021	542514	510976	544644	487448	405720
PHENYLPYRUVATE (CAS# 156-06-9); (M-H)-	Phenylpyruvic acid	8292		6404		2534	4870		2006		2438			2647		
PHYTANATE (CAS# 14721-66-5); (M-H)-	Phytanic acid	38877	57542	49781	51363	19432	39917	33720	46573	28819	38031		44652	62346	58845	44004
PICOLINIC ACID (CAS# 98-98-6); (M-H)-	Picolinic acid					27689					23544	31061				
PINITOL (CAS# 10284-63-6); (M+CL)-	Pinitol	154753	128325	217407	151656	116724	169599	110672	180655	138144	131387	183790	153160	168881	168243	157040
PROPENOATE (CAS# 79-10-7); (M-H)-	Acrylic acid												18954	9398		
PROSTAGLANDIN E2 (CAS# 363-24-6); (M+CL)-	PGE2					2297	1204									
PROSTAGLANDIN E2 (CAS# 363-24-6); (M-H)-	PGE2											9738			1913	
PTERIN (CAS# 2236-60-4); (M-H)-	Pterin										2825	1224				
PURINE (CAS# 120-73-0); (M-H)-	Purine		21659	85117		11486	9194	35305	14086			48257	40717	29119		
PYRUVATE (CAS# 127-17-3); (M-H)-	Pyruvic acid	2741		2244			2586	1171	2057	15110	11093		1698		13556	21086
RAC-GLYCEROL 1-MYRISTATE (CAS# 75685-84-6); (M+HCOO)-	MG 14:0						2063				1290					
RAFFINOSE (CAS# 512-69-6); (M+CL)-	Raffinose	2705	1782	2535	2580	3065	2206	2229	2839		2909	3442	2927	3340		
RETINOATE (CAS# 302-79-4); (M-H)-	Retinoic acid		6277	7271	7077	5144	7994	5141	6593	5526	5427	6220	6660	6114	7195	7563
RIBOSE 5-PHOSPHATE (CAS# 4300-28-1); (M-H)-	Ribose 5-phosphate				2076				1489							
RIBOSE (CAS# 50-69-1); (M+CL)-	Ribose							1833					1083	3727		
(S)-2-AMINO-3-(3-HYDOXY-4-OXO-4H-PYRIDIN-1-YL)PROPANOATE OR L-MIMOSINE (CAS# 500-44-7); (M-H)-	Mimosine				1383					2025						
(S)-3-METHYL-2-OXOPENTANOATE (CAS# 1460-34-0); (M-H)-	3-Methyl-2-oxovaleric acid	2110938	1318781	2427214	1113946	438403	2039731	1183904	1072265	2008850	1379690	1706585	1564224	1567102	2638598	1905873
S-ADENOSYL-L-HOMOCYSTEINE (CAS# 979-92-0); (M-H)-	S-Adenosylhomocysteine	9803			6896		9664		10788	6000	5872	6509	6942	11656	12401	9687
SALICYLATE (CAS# 69-72-7); (M-H)-	Salicylic acid	455583	149645	297207	243540	257715	233901	89069	344614	85502	78282	284997	313696	271038	80824	157510
SALICYLURIC ACID (CAS# 487-54-7); (M-H)-	Salicyluric acid			1989		2355		1635	3186	1240		4398	3674	4159		1654
(S)-DIHYDROOROTATE (CAS# 5988-19-2); (M-H)-	4,5-Dihydroorotic acid								5009	8996			6333	6648	6086	11365
SEBACIC ACID (CAS# 111-20-6); (M-H)-	Sebacic acid	1013334	1552392	1071772	1009180	762032	2519492	1766923	1172594	2164823	183875	2148451	2027487	1028852	2724742	2526177
SERINE (CAS# 56-45-1); (M-H)-	Serine	3059		3212	2104	2631	2345	1466	1726			3398	1798	2447	1585	2301
SHIKIMATE (CAS# 138-59-0); (M-H)-	Shikimic acid								1472							
SN-GLYCERO-3-PHOSPHOCHOLINE (CAS# 28319-77-9); (M+CL)-	sn-Glycero-3-phosphocholine	69047			70218	63415		62109	70017		50767	79445			77870	61799
SN-GLYCERO-3-PHOSPHOCHOLINE (CAS# 28319-77-9); (M+HCOO)-	sn-Glycero-3-phosphocholine		2303						1958							
STACHYOSE (CAS# 54261-98-2); (M+CL)-	Stachyose	1607	1443	2028	3114	2474	1837	1553	2263	1047	1946	4148	2585	2607	1320	
STEARATE (CAS# 57-11-4); (M-H)-	Stearic acid	3321226	3184149	3523519	3513894	3259378	3174968	3220801	3176239	3053934	3139440	3571222	3273675	3893600	3504870	3425181
SUBERIC ACID (CAS# 505-48-6); (M-H)-	Suberic acid	387582	325271	307372	395897	151914	441718	332948	404616	655835	458404	617786	462880	473826	580407	435296
SUCCINATE (CAS# 110-15-6); (M-H)-	Succinic acid	317762	131151	184162	179479	139339	235616	136278	126425	189157	174244	302718	298724	233657	274211	
SUCROSE (CAS# 57-50-1); (M+CL)-	Sucrose					30796		3329		8758	3176				38491	29421
TAURINE (CAS# 107-35-7); (M-H)-	Taurine	80996		53238			81398		56401	82018	214287	101482	81553			65562
THEOPHYLLINE (CAS# 58-55-9); (M-H)-	Theophylline						7029									
THREONINE (CAS# 72-19-5); (M+HCOO)-[-H2O]	Threonine					13673								45720		
THROMBOXANE B2 (CAS# 54397-85-2); (M-H)-	TXB2	63807	32741	78101	53480	9947	66499	35569	69824		44358	66839	57077	90213	87818	55755
THROMBOXANE B2 (CAS# 54397-85-2); (M-H)-[-H2O]	TXB2											9738			1913	
THYMIDINE (CAS# 50-89-5); (M+CL)-	Thymidine	1002853	497732	720155	934608	407590	874213	694245	548491	607300	745998	775510	572740	645377	881055	975118
THYMIDINE (CAS# 50-89-5); (M-H)-	Thymidine	188243	119085	139595	193137	114097	187152	154078	113497	137536	154197	158669	120943	131302	180121	193833
THYMIDINE (CAS# 50-89-5); (M+HCOO)-	Thymidine	294159	171643	225962	300345	175937	280066	240877	177979	206333	235082	238933	186140	192270	264078	
THYROXINE (CAS# 51-48-9); (M-H)-	Thyroxine	7044	2979		4629	4695	4818	3975	1912	5729	5216		3658	2363	4242	4758
TRANS-ACONITATE (CAS# 4023-65-8); (M-H)-	trans-Aconitic acid	128858	38560	85110	60893	62455	64210	40980	55177	46014	57918	64039	62376	67980	72183	68371
TRANS-VACCENIC ACID (CAS# 693-72-1); (M-H)-	trans-Vaccenic acid	4857740	4761883	3814886	3974832	1808417	4483172	4329489	3752908	4499656	4470435	4383376	4246492	4475674	4724441	4847687
TRIACONTANOIC ACID (CAS# 506-50-3); (M-H)-	Melissic acid	12990	13575	13844	13148	10899	12916	12965	12835	12980	13772	13276	12533	13223	13603	12709
TRICARBALLYLIC ACID (CAS# 99-14-9); (M-H)-	1,2,3-Propanetricarboxylic acid	13816							4220			4319				3037
TRICARBALLYLIC ACID (CAS# 99-14-9); (M-H)-[-H2O]	1,2,3-Propanetricarboxylic acid	16362	62089	47861	42212	57971	95220	22185	66064	55448	14865	90771		58647	56711	42727
TRICOSANOIC ACID (CAS# 2433-96-7); (M-H)-	Tricosylic acid	66624	59690	44134	26543	36958	54685	52546	31703	55720	61997	57104	52042	46410	48516	49858
TRIDECANOIC ACID (CAS# 638-53-9); (M-H)-	Tridecylic acid	13405	17051	13464	10905	10663	7709	8678	12607	10056	18861	12481	18400	9395	9862	17973
TRYPTOPHAN (CAS# 73-22-3); (2M-H)-	Tryptophan					25387										
TRYPTOPHAN (CAS# 73-22-3); (M-H)-	Tryptophan	584238	352762	607047	362672	423033	461444	360743	386607	480753	518280	429852	431931	538023	636322	406878
TYROSINE (CAS# 60-18-4); (M-H)-	Tyrosine	203809	84892	152513	120046	302647	123534	82318	111251	85488	114383	121806	106018	146672	107913	95088
UDP-GLUCOSE (CAS# 133-89-1); (M-H)-	UDP-glucose								7353							
UDP-N-ACETYL-D-GALACTOSAMINE (CAS# ); (M-H)-	UDP-N-acetylgalactosamine					1725			6342		2465					
URACIL 5-CARBOXYLATE (CAS# 23945-44-0); (M-H)-	Uracil-5-carboxylic acid			5534				2792		5877				7821	11284	
URATE (CAS# 69-93-2); (M-H)-	Uric acid	1482589	697982	532189	401535	1112210	1269842	965308	96622	1188503	1062257	954455	1859117	854212	920370	1041108
URIDINE-5-MONOPHOSPHATE (CAS# 58-97-9); (M-H)-	UMP	20415	16508	15590	23926	13800					21775					
URIDINE (CAS# 58-96-8); (M+CL)-	Uridine	1658948	902829	1644345	1274019	1617324	1867146	1070465	975613	1386417	1383498	1337765	1680414	1430252	2278848	1975459
URIDINE (CAS# 58-96-8); (M-H)-	Uridine	208434	168217	218389	190747	196250	283634	177859	160156	239757	214353	184052	228755	192907	353542	264346
URIDINE (CAS# 58-96-8); (M+HCOO)-	Uridine	32719	37299	34029	36298	39566	50562	37429		48091	40670	39501	48270	36078		52799
URSODIOL (CAS# 128-13-2); (M-H)-	Ursodeoxycholic acid			6658		108532	40750				5983		14137	27496		107103
URSODIOL (CAS# 128-13-2); (M+HCOO)-	Ursodeoxycholic acid				2513	10360	7680						6172	1409	6332	13589
VALINE (CAS# 72-18-4); (M-H)-	Valine					3811								1836		
XANTHINE (CAS# 69-89-6); (M-H)-	Xanthine	1255177	246538	1047579	478039	157834	967147	421697	1075566	889117	689870	1100486	939769	1536450	1392175	808120
XANTHOSINE (CAS# 146-80-5); (M-H)-	Xanthosine		31173		21069				17356	25337	46852		83384	23272	49927	
XYLOSE (CAS# 58-86-6); (M+HCOO)-	Xylose	415530				219451	335721		12710	28676	59166			298257		
ZEATIN [ISTD] (CAS# 13114-27-7); (M+CL)-	trans-Zeatin	1239309	1203315	1330137	1245168	830519	1307200	1184451	1245548	1317596	1212306	1345946	1296813	1274004	1514674	1351109
ZEATIN [ISTD] (CAS# 13114-27-7); (M-H)-	trans-Zeatin	3004808	3021564	3260798	3123528	2056407	3255871	2944483	3168536	3282125	2978874	3418841	3261840	3196678	3718003	3245211