#METABOLOMICS WORKBENCH araskind_20170619_182922 DATATRACK_ID:1055 STUDY_ID:ST000751 ANALYSIS_ID:AN001178 PROJECT_ID:PR000541
VERSION             	1
CREATED_ON             	July 4, 2017, 1:34 pm
#PROJECT
PR:PROJECT_TITLE                 	Mouse placentas-DEHP exposure
PR:PROJECT_TYPE                  	MS analysis
PR:PROJECT_SUMMARY               	Pregnant mice were treated with DEHP or vehicle control and placenta were
PR:PROJECT_SUMMARY               	removed for metabolomics analysis
PR:INSTITUTE                     	University of Michigan
PR:DEPARTMENT                    	Environmental Health
PR:LABORATORY                    	Loch-Caruso Lab
PR:LAST_NAME                     	Loch-Caruso
PR:FIRST_NAME                    	Rita
PR:ADDRESS                       	Ann Arbor, MI
PR:EMAIL                         	rlc@umich.edu
PR:PHONE                         	734-936-1256
#STUDY
ST:STUDY_TITLE                   	Mouse placentas-DEHP exposure (part II)
ST:STUDY_TYPE                    	MS analysis
ST:STUDY_SUMMARY                 	Pregnant mice were treated for 14 days (from GD 0.5-13.5) with 125mg/kg/day DEHP
ST:STUDY_SUMMARY                 	or vehicle control (corn oil) via oral gavage. After the last treatment, mice
ST:STUDY_SUMMARY                 	were euthanized and placenta were removed and flash frozen in liquid nitrogen.
ST:STUDY_SUMMARY                 	Placentas were then stored at -80 celsius.
ST:INSTITUTE                     	University of Michigan
ST:DEPARTMENT                    	Biomedical Research Core Facilities
ST:LABORATORY                    	Metabolomics core
ST:LAST_NAME                     	Kachman
ST:FIRST_NAME                    	Maureen
ST:ADDRESS                       	6300 Brehm Tower, 1000 Wall Street, Ann Arbor, MI 48105-5714
ST:EMAIL                         	mkachman@med.umich.edu
ST:PHONE                         	(734) 232-8175
ST:NUM_GROUPS                    	2
ST:TOTAL_SUBJECTS                	13
#SUBJECT
SU:SUBJECT_TYPE                  	Mouse
SU:SUBJECT_SPECIES               	Mus musculus
SU:TAXONOMY_ID                   	10090
#SUBJECT_SAMPLE_FACTORS:         	SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data
SUBJECT_SAMPLE_FACTORS           	SU0018494	S00028203	Treatment:Control	
SUBJECT_SAMPLE_FACTORS           	SU0018495	S00028204	Treatment:Control	
SUBJECT_SAMPLE_FACTORS           	SU0018496	S00028205	Treatment:Control	
SUBJECT_SAMPLE_FACTORS           	SU0018497	S00028206	Treatment:Control	
SUBJECT_SAMPLE_FACTORS           	SU0018498	S00028207	Treatment:Control	
SUBJECT_SAMPLE_FACTORS           	SU0018499	S00028208	Treatment:Control	
SUBJECT_SAMPLE_FACTORS           	SU0018500	S00028209	Treatment:Control	
SUBJECT_SAMPLE_FACTORS           	SU0018501	S00028210	Treatment:DEHP	
SUBJECT_SAMPLE_FACTORS           	SU0018502	S00028211	Treatment:DEHP	
SUBJECT_SAMPLE_FACTORS           	SU0018503	S00028212	Treatment:DEHP	
SUBJECT_SAMPLE_FACTORS           	SU0018504	S00028213	Treatment:DEHP	
SUBJECT_SAMPLE_FACTORS           	SU0018505	S00028214	Treatment:DEHP	
SUBJECT_SAMPLE_FACTORS           	SU0018505	S00028215	Treatment:DEHP	
SUBJECT_SAMPLE_FACTORS           	SU0018506	S00028216	Treatment:DEHP	
#COLLECTION
CO:COLLECTION_SUMMARY             	-
#TREATMENT
TR:TREATMENT_SUMMARY              	-
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY             	-
SP:SAMPLEPREP_PROTOCOL_FILENAME   	A003 - Untargeted Metabolomics.pdf
#CHROMATOGRAPHY
CH:CHROMATOGRAPHY_TYPE           	Reversed phase
CH:INSTRUMENT_NAME               	Agilent
CH:COLUMN_NAME                   	Waters Acquity HSS T3 (50 x 2.1mm, 1.8um)
#ANALYSIS
AN:ANALYSIS_TYPE                 	MS
AN:ANALYSIS_PROTOCOL_FILE        	A003 - Untargeted Metabolomics.pdf
#MS
MS:MS_COMMENTS                   	-
MS:INSTRUMENT_NAME               	Agilent 6530 QTOF
MS:INSTRUMENT_TYPE               	QTOF
MS:MS_TYPE                       	ESI
MS:ION_MODE                      	NEGATIVE
#MS_METABOLITE_DATA
MS_METABOLITE_DATA:UNITS         	peak area
MS_METABOLITE_DATA_START
Samples	S00028203	S00028204	S00028205	S00028206	S00028207	S00028208	S00028209	S00028210	S00028211	S00028212	S00028213	S00028214	S00028215	S00028216
Factors	Treatment:Control	Treatment:Control	Treatment:Control	Treatment:Control	Treatment:Control	Treatment:Control	Treatment:Control	Treatment:DEHP	Treatment:DEHP	Treatment:DEHP	Treatment:DEHP	Treatment:DEHP	Treatment:DEHP	Treatment:DEHP
16:0 LYSO PC (M+CL)-	162949	95790	154217	179229	162525	148796	116118	152125	154528	141035	158061	148662	163745	178763
16:0-18:0 PC (M+CL)-	169723	84805	102908	93555	194798	146943	169095	107910	134973	169482	126195	123251	125287	209980
18:0 LYSO-PE (M-H)-	5779389	1045615	4153504	6068973	5151238	3239659	1256454	2957403	4965208	3367670	5785085	3772416	3593789	5838341
2'-DEOXYINOSINE (M+CL)-			5423			12127			8220					
2'-DEOXYINOSINE (M-H)-	58518	29080	46823	43111	39710	63727	11997	44102	94775	66195	54483	36747	59720	57530
2-DEOXY-D-GLUCOSE (M+CL)-	21532		21331	5017	60453	7940		10593	3394		23668		2619	4338
2-HYDROXY-3-METHYLBUTYRIC ACID (M-H)-	188186	105787	184794	221412	212875	196512	103695	189909	148243	109779	338275	141058	244203	529690
2-HYDROXY-4-(METHYLTHIO)BUTYRIC ACID (M-H)-	14391		17341	15996	21151	19417					23105	14451	33220	27144
2-HYDROXYBUTYRIC ACID (M-H)-		19346	13925	56363		69371		23400	112929	46161	14471	24218	16420	36021
2-METHYLMALEIC ACID #2 (M-H)-				37626	11003		15281	11471	13111		14596	29684		22229
2-METHYLMALEIC ACID (M-H)-	8548		5331		4829			14039			6444			
3-(4-HYDROXYPHENYL)LACTIC ACID (2M-H)-				1765									2305	1820
3-(4-HYDROXYPHENYL)LACTIC ACID (M-H)-	180095	77124	258656	247417	232912	150146	105311	210575	175774	93215	273083	175388	255353	279901
3-(4-HYDROXYPHENYL)PYRUVIC ACID (M-H)-		3270						1528						24993
3-HYDROXY-3-METHYLGLUTARIC ACID (M-H)-	84014	28805	178398	165083	107202	124890	16464	93963	95371	74073	83247	40344	214329	367833
3-HYDROXYKYNURENINE (M-H)-	3149								2043			2821		
3-METHYL-2-OXOPENTANOIC ACID (M-H)-	8572	20990	45166	33401		23103	13029	46128	7817		15911	26084	41822	107684
3-UREIDOPROPIONIC ACID (M-H)-							8383							
4-COUMARIC ACID (M-H)-	12529		25434	39302	33295		2354	8439			28385		4215	
4-HYDROXYBENZOIC ACID (M-H)-	4249												5667	2370
4-HYDROXYPHENYLACETIC ACID (M-H)-			1300											
4-METHYL-2-OXOPENTANOIC ACID (M-H)-	19806	32428	102524	70797	26720	46658	30273	76958	20335	14022	39983	53916	76278	182936
4-NITROPHENOL (M-H)-	87738	13497	13560	10979	9758	10932	13265	17377	13831		13680	14423		12211
4-PYRIDOXIC ACID (M-H)-	12593		10927	14053		6890		11012	8663	3832	8593			
5'-METHYLTHIOADENOSINE (M+CL)-	10340	3515	12859	9327	8422	12586	4560	9406	8551	10956	7485	5349	10951	11077
5-HYDROXYINDOLEACETIC ACID (M-H)-	754165	172879	17654	27904	580498	25231	238770	19811	663354	435442	495352	321792	582825	15264
5-HYDROXYTRYPTOPHAN (M-H)-				9376		3883		5496	11354		9224	7315		
5-METHYLTETRAHYDROFOLIC ACID (M-H)-	6875		7203	6807	5054	7061		4236		3603	2924		12164	13403
5-OXOPROLINE (M-H)-	693752	198605	572892	653404	704866	1123091		324058	1538311	1080891	708731	274358		
ADENOSINE 5'-MONOPHOSPHATE (2M-H)+								3702					8128	
ADENOSINE 5'-MONOPHOSPHATE (M-H)-								210282					279914	42406
ADENOSINE 5'-PHOSPHOSULFATE (M-H)-										7426				
ADIPIC ACID (M-H)-	21830		15984	20042	9819	14697	10977	11936	13635		11049	11329	12772	12453
ADP-RIBOSE (M-H)-		9344		1986	1106		5851	5736				4759	17163	20738
ALLANTOIN (M-H)-	9736	29305	20675	21532	17766	31861	12857	27326	10021		25080			
ALLOPREGNANOLONE (M+CL)-[-H2O]				4002										3715
ARACHIDIC ACID (M-H)-	224272	83990	140403	182606	140949	128464	89266	133720	159218	225267	121458	136597	138084	135620
ARACHIDONATE #2 (M-H)-	891995	183435	763642	677085	685411	593398	199012	354534	864524	607676	815095	472915	528522	866675
ARACHIDONIC ACID (M-H)-	21700000	5111317	18600000	22000000	20500000	15100000	7177359	14600000	20500000	17500000	21000000	13800000	15500000	17700000
ASPARAGINE (M-H)-							9562							
ASPARTIC ACID (M-H)-		12627	52787		23712	126326	30173		5865			17461	20842	41610
AZELAIC ACID (M-H)-	274778	124426	197628		84614	105460	99682			126415	134890	115231	108564	145198
BEHENIC ACID (M-H)-	103871	61785	79772	97924	82783	71645	91992	70660	96634	89848	80148	125145	68276	66660
BENZOIC ACID #2 (M-H)-				5224										
BENZOIC ACID (M-H)-	18370		8909	10773	13002		24112	16393	13775		15359	22401	21516	22049
BILIVERDIN (M-H)-	49972	34722	34947	44019	35470	64397		52331	57812	41064	23923		77325	82736
BIOTIN (M-H)-	21085		18406	20495	24850	24460		18912	14584	13700	14497		28267	56425
BIS-GAMMA-GLUTAMYLCYSTINE (M-H)-													3648	
C12 GALACTOSYL(BETA) CERAMIDE (D18:1/12:0) (M+CL)-	23588		26055	21941		14425		4451	25620		21590		14643	34341
CAPRYLIC ACID (M-H)-					1339				2147					
CHOLESTEROL HYDROGEN SULFATE (M-H)-	410911	42850		55571	43808	66154	45013		413028	157271	128429	64043	279769	2036616
CHOLIC ACID (M+CL)-		3226		5915		12067	46588	8693		3586	6361	56786	16952	57342
CHOLIC ACID (M-H)-	60318	56395	20155	81552	20664	122609	694996	140396	72836	55286	82264	972473	216247	947908
CIS-11-EICOSENOIC ACID (M-H)-	925909	277161	668050	882657	714096	654644	270324	425540	847567	658656	585992	570433	586324	785920
CITRAMALIC ACID (M-H)-								35817						
CITRIC ACID (M-H)-						59371							4808	
CITRULLINE (M-H)-										2204			1404	
CORTICOSTERONE (M+CL)-	46749	50692	73496	157449	66868	28845	71658		15353		65665	61672	88701	51283
CORTISOL 21-ACETIC ACID (M+CL)-	1035													
CREATINE (M-H)-	16942		40655	26158				54947	35245					
CYSTINE (M-H)-	4055	4330	9584	7899	7052	13630	10611	16749	4822	5972	5655	7241	3347	10253
CYTIDINE (M+CL)-										2423				
CYTIDINE 5'-DIPHOSPHOCHOLINE (2M-H)-			2766											
CYTIDINE 5'-DIPHOSPHOCHOLINE (M+CL)-			2297										2646	3741
D-GLUCOSAMINE (M+CL)-											20431			
D-GLUCOSAMINE 6-SULFATE (M-H)-[-H2O]			1519					2433						
D-GLUCOSE 6-PHOSPHATE (M-H)-	411669	231602	363597	34263	537861	59616	88622	485200	577848	408438	663199	864888		34867
DECANOIC ACID (M-H)-	6150	5591	6127			6594		6309			6734	6590	7379	
DEHYDROASCORBIC ACID (M+CL)-	244557	1138600	236997	218024	409448	182343		326527	280534		449820	825839	151552	102724
DEHYDROASCORBIC ACID (M-H)-		1011173												
DEHYDROEPIANDROSTERONE SULFATE (M-H)-										3267				
DEOXYADENOSINE (M+CL)-				8433	1867	11703				8005				
DEOXYCHOLIC ACID (M+CL)-							4547	2408						7534
DEOXYCHOLIC ACID (M-H)-	41184	29182	33735			37906	41437	32570				70827		128380
DEOXYURIDINE (M+CL)-	325828	331685	465975	485764	285765	564258	126710	519577	588347	252426	257161	603486	809344	611565
DEOXYURIDINE (M-H)-	126035	257476	210861	184605	112341	240155		280550	386036	166620	168986	499932	330007	235741
DGDP (M-H)-														15205
DIETHYLSTILBESTROL (M-H)-		1362										3225		
DIHYDROOROTIC ACID (M-H)-			11385			3583	1914		9464	14438				6220
DIHYDROXYFUMARIC ACID (M-H)-		5146			8309	2269			4097		4516	4751		
DIPALMITOYL PHOSPHATIDYLETHANOLAMINE (M-H)-	50925	151752	71180	56242	62440	75784	219923	126990	82110	173988	96334	120364	48978	40386
DOCOSAHEXAENOIC ACID (M-H)-	20600000	3843893	17000000	21100000	17400000	15400000	5537072	11800000	19300000	16600000	16300000	12700000	13600000	17900000
DUMP (M-H)-	30718	161045	108907	92949	100904	50282	146696	96015		101697	121211		28183	36658
EPIBRASSINOLIDE [ISTD] (M+CL)-	391885	434833	422160	413804	428525	434119	441413	395955	398892	430046	427663	434888	408371	412584
ERUCIC ACID (M-H)-	207996	67597	123584	160963	141368	121268	128855	104064	159770	177836	105216	144891	99452	124562
ETHANOLAMINE PHOSPHATE (M-H)-			23167	20420						40985		30232	18654	13680
ETHYLMALONIC ACID (M-H)-						7123								3453
FUMARIC ACID (2M-H)-			6789			9840		7127	7930	19325	7472			
FUMARIC ACID (M-H)-	150593	188102	233666	197649	170398	334861	182941	194379	300893	334080	245326	193548	383844	387119
GALACTARIC ACID (M-H)-			10644											
GDPMANNOSE (M-H)-	1296		1377										1287	
GERANYL DIPHOSPHATE (M-H)-												5052		
GLUCONIC ACID (M-H)-							24958						12581	60057
GLUCOSE (M+CL)-	169021	708834	694717	505428	256352	934400	98172	941956	269594	190329	244135	308724	21985	155225
GLUCURONIC ACID (M-H)-											1720			
GLUTAMIC ACID (M-H)-		393623	478584	157956	190911	616433	383754	537921	103422		67135	179867	253824	422737
GLUTAMINE (M-H)-		29856			16511		32845		4782				29768	92143
GLUTARIC ACID (M-H)-	63003	42253	91825	81112	46980	119691	36602	56253	83510	90796	48140	38527	84389	115923
GLUTATHIONE (OXIDIZED) (M-H)-	217732	105210	396421	202694	223419	519953	28080	428907	140037	536029	150548	38299	264055	384542
GLYCEROL 2-PHOSPHATE (M-H)-			8194			10552		7317	63220			38979	42079	47501
GLYCEROL MYRISTATE (M+CL)-												6869		
GLYCOCHOLIC ACID (M-H)-	1802		2642	3133	1433	2947	23774	3060	1107			34029	4878	
GLYOXYLIC ACID (M-H)-										1473				
GUANINE (M-H)-	7751	1592		3766	8162						13279			
GUANOSINE (M+CL)-	52858	11118	26096	33511	37870	32642	34597	39931	24715	24534	28374	18903	33442	53440
GUANOSINE (M-H)-	1254181	342268	698382	804888	1218004	900524	896768	723545	779252	832804	1013355	546455	959180	1252389
GUANOSINE 5'-PHOSPHATE (M-H)-	23030	19508	52387	36777	32607		8212	49128			17380			
HEPTADECANOIC ACID (M-H)-	305745	161953	261140	237704	243646	201276	191491	222777	253448	254098	282545	264095	210545	333950
HEXACOSANOIC ACID (M-H)-		3683					4322							
HIPPURIC ACID (M-H)-	156939	79300	85391	80212	105812	132319	72291	156394	110401		56584	90870	79876	117022
HOMOSERINE (M-H)-	21982	50853	10554	15012	28584	71467		29913	11606	9895	21766	11147	15459	14510
HOMOVANILLIC ACID (2M-H)-	10894	13567	13232	11384	10116	9917	11546	10746	13290	11626	10672	11863	11440	10651
HOMOVANILLIC ACID (M-H)-	2339													
HYODEOXYCHOLIC ACID (M-H)-	419503	51218	519954	354843	14974	23371	320271	203356	516716	373183	75677	211076	518005	556742
HYPOXANTHINE (M-H)-	4050216	1770500	3098226	2843917	3643214	2442173	1698790	1530672	2785292	3908563	3517180	1500121	75479	65110
INOSINE (M+CL)-	751799	92803	572265	674954	353079	659732	470122	473786	402643	429633	373107	223593	785846	836369
INOSINE (M-H)-	7016363	2849646	5862989	13000000	14000000	7166579	10500000	11200000	9869673	11300000	10200000	8482860	15500000	17700000
INOSINE 5'-DIPHOSPHATE (M-H)-	1166		3547		3554	1237				5483				
INOSINE 5'-PHOSPHATE (M-H)-	43353	45282	134531	87332	82223	7721	28529	109982	10156	54540	47768	40910	6808	13035
ISOCITRIC ACID (M-H)-	113831	315081	151685	9859	212781	26289	62986	197211	15462	18470	11046	270615	81201	66133
ISOLEUCINE (M-H)-	1530785	721726	1594199	1376905	1397244	1408071	1158636	1191870	1535334	1266928	1349004	1515879	1573205	1465441
KYNURENIC ACID (M-H)-	6378	4315	8811	14889	6138	7869	8065	10724	11940	3797		12421	9845	13116
KYNURENINE (M-H)-	95596	75684	112939	121632	81342	139830	28256	77489	129213	49770	81802	119646	163812	114870
L-ARGININE (M-H)-														1710
L-CARNITINE (M+CL)-	89295	274475	220823	47863	134896	374452	587840	265665	73562	16231		139184	131983	22096
L-FUCOSE 1-PHOSPHATE (2M-H)-	1820							1892						
L-HISTIDINE (M-H)-		23570	16515		21657	1983	74633	1055	18444			3003	77479	132972
L-TRYPTOPHAN-15N2 [ISTD] (M-H)-	818560	1009978	906477	883840	862107	884937	908865	927897	896944	941711	896635	921937	838446	800805
L-[15N]ANTHRANILIC ACID [ISTD] (M-H)-	276113	277338	303145	298093	284119	288520	273280	296975	299904	295192	304457	292118	274282	268641
LAURIC ACID (M-H)-	46021	35014	38021	37895	36884	36823	36630	55907	31102	35312	49212	43357	48349	43626
LIGNOCERIC ACID (M-H)-	26633	113932	28725		23518	28981	168994	63182	56798	62472	52709	118722	29235	10946
LINOLEIC ACID (M-H)-	3691707	1623060	3500022	3815841	3465158	4088326	2647600	2731593	4235625	5137586	3445235	4109829	3786196	3654599
LYSINE (M-H)-	3454		3203	3313		4443	1503							8531
LYSOPHOSPHATIDIC ACID (M-H)-			7455											
M-HYDROXYMANDELIC ACID (2M-H)-		3466												
MALEIC ACID (M-H)-	151876	188102	179198	177743	156209	303288	181783	58001	205551	244995	204721	112530	27091	386781
MALIC ACID (M-H)+[-H2O]	195204		178872	141800		207776		131995	186676	54748	95753	31739	185756	222931
MALIC ACID (M-H)-	123826	211880	158332	604383	859016	1377952	584876	787840	77604	2321545	91414	656197	2479907	2381593
MALONIC ACID (M-H)-	31117		23192	26328	30568	18132	13131	20950	19110	16828	29160	17286	16344	25988
MANDELIC ACID (M-H)-			4332								4377	6857		
METHIONINE (M-H)-		68233					51660						63219	
METHYL BETA-D-GALACTOSIDE (M+CL)-		54172	66099			63169	18012	71841	54894	48558		41652		
METHYLMALONIC ACID (M-H)-	53673			36200	51951		92214		23664	16907		60708	352437	237322
MEVALONIC ACID (M-H)-				2984										
MYRISTIC ACID (M-H)-	405723	330087	386861	414164	356002	331380	356899	392111	410043	359043	395770	404530	407392	159263
MYRISTOLEIC ACID (M-H)-	50638	25237	52240	71645	51563	43752	43454	57863	57219	35989	65110	77789	50621	53210
N-ACETYL-ASPARTIC ACID (M-H)-		373035					1213686					266989		
N-ACETYL-D-GLUCOSAMINE (M+CL)-	26688		29879	6747	82898	48278		12758	14373	13385	48792	227188	8987	8073
N-ACETYL-D-TRYPTOPHAN (M-H)-	19324	10165	12012	20058	13692	26154	23507	23444		10012	10832	28263	20991	21035
N-ACETYL-DL-METHIONINE (M-H)-	766296	173583	542953	584866	587410	589276	239814	430193	670614	425829	499378	323743	582745	604662
N-ACETYL-DL-SERINE (M-H)-					402131		207708					485043	148940	47824
N-ACETYL-L-ALANINE (M-H)-	496764	156455	409796	500620	441519	418562	182522	399101	544986	312909	440847	285776	361024	392319
N-ACETYL-L-LEUCINE (M-H)-	42758	17170	32585	28879	40577	33442	20578	33371	22064	16716	42660	24207	35106	31411
N-ACETYL-L-PHENYLALANINE (M-H)-	18873	9786	17793	15526	18529	16727	17816	21026	13575	9691	24891	25791	22359	20599
N-ACETYLGLYCINE (M-H)-														16413
N-ACETYLNEURAMINIC ACID (M-H)-	79414	45734	13002	53573	177897	26887		81468			20676			
N-AMIDINO-ASPARTIC ACID (M+CL)+[-H2O]		8311	2164	2566				3752		8095			36793	
N-FORMYLGLYCINE (M-H)-										10803				
NAD (M-H)-			3754	3123	5880	3707		5296						
NERVONIC ACID (M-H)-	760840	262689	526955	787858	608791	497125	419593	447869	733789	471474	504189	749923	381147	584237
NICOTINAMIDE HYPOXANTHINE DINUCLEOTIDE (M-H)-			1678	1921										2263
O-SUCCINYL-L-HOMOSERINE (M-H)-	21043			21070	23073	9311			11652	23846	18799			
OLEIC ACID (M-H)-	11500000	2787964	9147202	9974100	9865427	8761033	3220125	5494577	12100000	10600000	9079144	7189412	7518518	12300000
OMEGA-HYDROXYDODECANOIC ACID (M-H)-	3613					3637								6883
OROTIC ACID (M-H)-	37109	11696	10708	19350	12887	17594		27563	20622	15845	11768	17103		28301
OXALIC ACID (M-H)-	1101		1290							3137				
OXALOACETIC ACID (M-H)-[-H2O]	728733	873502	851413	824658	819976	697188	832359	825351	714468	774659	757607	735687	663445	682831
PALMITIC ACID (M-H)-	7374405	2363280	6772994	6553199	6391413	5567143	2886376	4227514	7426252	6811780	6730114	5891647	5455299	8960067
PALMITOLEIC ACID (M-H)-	1461137	351374	1325048	1706665	1269373	1146494	534487	930907	1396450	1315573	1208738	948104	1162759	1261685
PANTOTHENIC ACID (M+CL)-	90970	20413	81586	85572	84810	83759	48977	63721	69861	62818	52508	39627	86087	125930
PANTOTHENIC ACID (M-H)-	5820246	1546202	5166549	5217241	5563947	5752659	3553342	4818314	5394272	4854766	3729410	3003124	5529876	8764826
PHENYLALANINE (M-H)-	3133870	1147656	3010597	2945418	2737292	2966424	1978470	2192954	2838159	2451059	2357148	2461385	3553785	3693274
PHENYLPYRUVIC ACID (M-H)-														12614
PHTHALIC ACID (M-H)-	9443	4057		3580			19033	37149	26885		48769	24815	52790	50968
PHYTANIC ACID (M-H)-	47338	23612	35777	41757	32377	36438	27491	29350	41948	35655	33482	33541	34886	40307
PIMELIC ACID (M-H)-	8745				3007									
PROPENOIC ACID (M-H)-			7001	25301	11163	33676		30288	75461	35889	34070	31470	48598	52092
PROTOPORPHYRIN (M-H)-	34155	9608	23688	17851	30902	57173	6463	12137	30879	23646	17713	14524	23873	84594
PURINE (M-H)-		4675					9789							
PYRUVIC ACID (M-H)-	6752				62457	48401		5856		7352	43685			7668
RAFFINOSE (M+CL)-	291875	285306	204665	41097	467824	83987	122226	138211	105813	28858	220165	202803	28121	69543
RETINOIC ACID (M-H)-						4050								1850
RIBITOL (M+CL)-		12997				24280						6340		
RIBOFLAVIN (M+CL)-				4478	3866							2656	4196	5658
RIBOFLAVIN (M-H)-	27370	13692	22917	26058	26030	27567	13407	21751	32550	24465	22165	19205	31552	35116
RIBOSE (M+CL)-		36816	20949	30630	79499	29528		27821	17063			134623	4853	
RIBOSE 5-PHOSPHATE (M-H)-		13465				5192	13740							
S-ADENOSYL-L-HOMOCYSTEINE (M-H)-	35702	13877	38708	40724	29348	34127	23008	19659	50710	41099	36220	39849	42855	26702
SEBACIC ACID (M-H)-						5484								
SERINE (M-H)-		1645	6121			6597	4427		5624	9027			3952	5582
SN-GLYCERO-3-PHOSPHOCHOLINE (M+CL)-						31265								8540
STACHYOSE (M+CL)-	138381	81570	88606	11854	187235	40741	2099	58266	26044	15972	68422	48978	13797	24886
STACHYOSE (M-H)-	33449	11849	18976	19898	30408	28516		11153	23085	7126	9512	4505	12702	19065
STEARIC ACID (M-H)-	15300000	5043129	11900000	14000000	13000000	10200000	5700322	7859065	14800000	12600000	12800000	13100000	10000000	15800000
SUBERIC ACID (M-H)-	39835	21050	25679	25412	17009	20119	18038	19623	18114	20023	22416	22743	26173	23869
SUCCINIC ACID (M-H)-	2674144	1281424	2534754	1648386	1757712	2505851	2115835	2392288	850450	810389	1496419	2057243	3326301	4544521
SUCROSE (M+CL)-	179404	151604	75530	24427	500461	236324	157911	101634	131374	40261	163486	504857	64937	26319
TAURINE (M-H)-	111420	239765	321855	56839	88359	348477	201880	308278	290766	131316	175986	120248	341679	545266
THEOPHYLLINE (M-H)-									10703		8155	4160	6524	12941
THYMIDINE (M+CL)-	120429	51101	116265	113910	90162	168184	60447	85585	125039	164383	84182	77959	171008	197047
THYMIDINE (M-H)-	139010	67952	140649	125632	116372	206681	73211	122545	179217	237961	128633	115038	187325	204549
THYMIDINE 5'-MONOPHOSPHATE (M-H)-			20611	14130		28592		23614		10159	6266			
THYMINE (M-H)-	26682	20973	25571	25099	28522	38386	22475	24244	45148	29232	33248	29984	33881	31474
TRANS-ACONITIC ACID (M-H)-							119798							391619
TRICARBALLYLIC ACID (M-H)-							9017	54349				16583		
TRICARBALLYLIC ACID (M-H)-[-H2O]	13921	8948	5724	9283	20705	21619	30922	19943	35182	11499	30775	32107	16755	16844
TRICOSANOIC ACID (M-H)-	4168	8130	3552	3586	2891	3441	13688	5725	5177	3740	4540	10320	2085	1542
TRIDECANOIC ACID (M-H)-	5921	12963	12672	14680	6062	11407	13410	5812	12630	12179	13656	5520	14140	12235
TRYPTOPHAN (2M-H)-		11508												
TRYPTOPHAN (M-H)-	2190313	1546208	2274432	2527043	2216462	2359273	1847948	2061032	2198572	2131119	2020796	1921609	2464800	2912906
TYROSINE (M-H)-	677553	433808	725963	701674	632630	656563	642241	475782	752377	705708	642058	726580	694600	600578
UDP-GLUCOSE (M-H)-	308128	91090	226672	104872	273643	279486	73668	55246	108400	148593	64763	62242	90235	158466
UDP-N-ACETYL-D-GALACTOSAMINE (M-H)+[-H2O]								1304						
UDP-N-ACETYL-D-GALACTOSAMINE (M-H)-	13442					54318				13786		38645	277325	536413
UDP-N-ACETYL-D-GLUCOSAMINE (M-H)-	793409	643905	470946			1391989	286987	483991	118542		544042	730210		
URACIL (M-H)-	689591	474036		546519	656232		511871		421461	619966	751916			
URACIL 5-CARBOXYLIC ACID (M-H)-										14547			8285	
URIC ACID (M-H)-	1065902	373433	1094356	1455333	1302560	46751	1223665	1425947	778952	361996	1396943	1133885	392002	73338
URIDINE (M+CL)-	1605795	251061	1233944	1535069	1188761	1423094	947401	943937	738079	1713149	979118	903757	2122151	2024964
URIDINE (M-H)-	1265425	402431	592534	945993	990366	1103498	730765	824196	920234	1647935	657026	1093794	1009116	911569
URIDINE-5-MONOPHOSPHATE (M-H)-	177388	124308	309884	236740	102076	250376	66000	230906	54661	216146	76666	53745	316979	380993
UROCANIC ACID (M-H)-						5641	23556					14988	3405	
VALINE (M-H)-	36120	27910	23641	43985	42761	21016	41890	25456	45578	49287		27256	33687	15993
XANTHINE (M-H)-	9009494	1495088	2613080	4585783	5430184	3520855	3349509	2954756	5976353	3812702	7937282	2516529	2589992	2363056
XANTHOSINE (M-H)-	659414	144583	327742	458564	441745	493282	198016	286394	300862	198458	467974	258092	236148	244621
XANTHOSINE 5'-PHOSPHATE (M-H)-						5084				11421				
ZEATIN [ISTD] (M+CL)-	126956	120952	127687	133217	120945	123859	138322	114180	109231	114150	108050	117100	129658	127713
ZEATIN [ISTD] (M-H)-	696253	721133	713037	666091	676905	687097	740063	712641	700020	704927	688500	703766	670628	677379
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name	moverz_quant	ri	ri_type	pubchem_id	inchi_key	kegg_id	other_id	other_id_type
16:0 LYSO PC (M+CL)-	495.334	22.289		460602
16:0-18:0 PC (M+CL)-	761.597	25.612		18631368
18:0 LYSO-PE (M-H)-	481.3177	22.69		9547068
2'-DEOXYINOSINE (M+CL)-	252.0883	2.096		65058
2'-DEOXYINOSINE (M-H)-	252.0853	2.101		65058
2-DEOXY-D-GLUCOSE (M+CL)-	164.0657	0.692		439268
2-HYDROXY-3-METHYLBUTYRIC ACID (M-H)-	118.0627	3.548		853180
2-HYDROXY-4-(METHYLTHIO)BUTYRIC ACID (M-H)-	150.0349	3.401		11427
2-HYDROXYBUTYRIC ACID (M-H)-	104.0471	1.742		11266
2-METHYLMALEIC ACID #2 (M-H)-	130.0265	2.378		643798
2-METHYLMALEIC ACID (M-H)-	130.0261	1.843		643798
3-(4-HYDROXYPHENYL)LACTIC ACID (2M-H)-	182.0605	3.857		440177
3-(4-HYDROXYPHENYL)LACTIC ACID (M-H)-	182.0572	3.859		440177
3-(4-HYDROXYPHENYL)PYRUVIC ACID (M-H)-	180.0439	2.765		979
3-HYDROXY-3-METHYLGLUTARIC ACID (M-H)-	162.052	1.647		1662
3-HYDROXYKYNURENINE (M-H)-	224.0801	1.199		11811
3-METHYL-2-OXOPENTANOIC ACID (M-H)-	130.0627	4.476		440877
3-UREIDOPROPIONIC ACID (M-H)-	132.0518	0.893		111
4-COUMARIC ACID (M-H)-	164.0469	6.983		637542
4-HYDROXYBENZOIC ACID (M-H)-	138.0311	4.107		135
4-HYDROXYPHENYLACETIC ACID (M-H)-	152.0461	4.764		127
4-METHYL-2-OXOPENTANOIC ACID (M-H)-	130.0628	4.888		70
4-NITROPHENOL (M-H)-	139.0266	7.105		980
4-PYRIDOXIC ACID (M-H)-	183.0523	1.907		6723
5'-METHYLTHIOADENOSINE (M+CL)-	297.0894	4.481		439176
5-HYDROXYINDOLEACETIC ACID (M-H)-	191.0608	4.172		1826
5-HYDROXYTRYPTOPHAN (M-H)-	220.0828	1.794		439280
5-METHYLTETRAHYDROFOLIC ACID (M-H)-	459.1885	3.712		9825434
5-OXOPROLINE (M-H)-	129.0419	1.2		7405
ADENOSINE 5'-MONOPHOSPHATE (2M-H)+	347.0687	0.936		6083
ADENOSINE 5'-MONOPHOSPHATE (M-H)-	347.0609	0.935		6083
ADENOSINE 5'-PHOSPHOSULFATE (M-H)-	427.0133	0.671		10238
ADIPIC ACID (M-H)-	146.0582	3.6		196
ADP-RIBOSE (M-H)-	559.0666	0.863		33576
ALLANTOIN (M-H)-	158.043	0.655		439714
ALLOPREGNANOLONE (M+CL)-[-H2O]	318.2591	20.914		92787
ARACHIDIC ACID (M-H)-	312.3026	23.646		10467
ARACHIDONATE #2 (M-H)-	304.2407	22.855		444899
ARACHIDONIC ACID (M-H)-	304.2406	22.731		444899
ASPARAGINE (M-H)-	132.0528	0.601		6267
ASPARTIC ACID (M-H)-	133.0369	0.622		5960
AZELAIC ACID (M-H)-	188.1044	10.857		2266
BEHENIC ACID (M-H)-	340.3338	24.185		8215
BENZOIC ACID #2 (M-H)-	122.0368	8.407		243
BENZOIC ACID (M-H)-	122.0366	4.982		243
BILIVERDIN (M-H)-	582.2504	18.696		5280353
BIOTIN (M-H)-	244.0879	6.34		11966127
BIS-GAMMA-GLUTAMYLCYSTINE (M-H)-	498.1037	0.961		90657696
C12 GALACTOSYL(BETA) CERAMIDE (D18:1/12:0) (M+CL)-	643.5007	23.219		46891735
CAPRYLIC ACID (M-H)-	144.1146	10.167		379
CHOLESTEROL HYDROGEN SULFATE (M-H)-	466.312	23.885		65076
CHOLIC ACID (M+CL)-	408.2868	20.498		221493
CHOLIC ACID (M-H)-	408.2874	20.498		221493
CIS-11-EICOSENOIC ACID (M-H)-	310.2874	23.294		5282768
CITRAMALIC ACID (M-H)-	148.0368	1.277		441696
CITRIC ACID (M-H)-	192.0256	1.039		311
CITRULLINE (M-H)-	175.0956	0.629		9750
CORTICOSTERONE (M+CL)-	346.2142	15.528		5753
CORTISOL 21-ACETIC ACID (M+CL)-	404.2243	15.786		5744
CREATINE (M-H)-	131.0674	0.657		586
CYSTINE (M-H)-	240.0244	0.641		6857538
CYTIDINE (M+CL)-	243.0812	0.688		6175
CYTIDINE 5'-DIPHOSPHOCHOLINE (2M-H)-	488.1168	0.562		13804
CYTIDINE 5'-DIPHOSPHOCHOLINE (M+CL)-	488.1029	0.677		13804
D-GLUCOSAMINE (M+CL)-	179.0787	0.727		439213
D-GLUCOSAMINE 6-SULFATE (M-H)-[-H2O]	259.0344	0.648		3330962
D-GLUCOSE 6-PHOSPHATE (M-H)-	260.0265	0.707		5958
DECANOIC ACID (M-H)-	172.1459	19.952		2969
DEHYDROASCORBIC ACID (M+CL)-	174.0146	0.712		440667
DEHYDROASCORBIC ACID (M-H)-	174.0142	0.709		440667
DEHYDROEPIANDROSTERONE SULFATE (M-H)-	368.1696	15.278		12594
DEOXYADENOSINE (M+CL)-	251.1028	1.924		13730
DEOXYCHOLIC ACID (M+CL)-	392.2908	21.772		222528
DEOXYCHOLIC ACID (M-H)-	392.2926	21.766		222528
DEOXYURIDINE (M+CL)-	228.0741	1.669		13712
DEOXYURIDINE (M-H)-	228.0733	1.692		13712
DGDP (M-H)-	427.0236	1.143		439220
DIETHYLSTILBESTROL (M-H)-	268.1512	18.86		448537
DIHYDROOROTIC ACID (M-H)-	158.0328	0.704		1149667
DIHYDROXYFUMARIC ACID (M-H)-	147.9998	0.733		54678503
DIPALMITOYL PHOSPHATIDYLETHANOLAMINE (M-H)-	691.5152	24.769		445468
DOCOSAHEXAENOIC ACID (M-H)-	328.2406	22.712		445580
DUMP (M-H)-	308.046	0.984		65063
EPIBRASSINOLIDE [ISTD] (M+CL)-	480.345	19.957		115196
ERUCIC ACID (M-H)-	338.3184	23.725		5281116
ETHANOLAMINE PHOSPHATE (M-H)-	141.0185	0.756		1015
ETHYLMALONIC ACID (M-H)-	132.0411	2.85		11756
FUMARIC ACID (2M-H)-	116.011	1.26		444972
FUMARIC ACID (M-H)-	116.0108	1.254		444972
GALACTARIC ACID (M-H)-	210.0386	0.687		3037582
GDPMANNOSE (M-H)-	605.0741	0.773		18396
GERANYL DIPHOSPHATE (M-H)-	314.0726	14.209		445995
GLUCONIC ACID (M-H)-	196.0575	0.646		10690
GLUCOSE (M+CL)-	180.0626	0.64		5793
GLUCURONIC ACID (M-H)-	194.0411	0.635		94715
GLUTAMIC ACID (M-H)-	147.0534	0.639		33032
GLUTAMINE (M-H)-	146.0698	0.602		5961
GLUTARIC ACID (M-H)-	132.0417	2.075		743
GLUTATHIONE (OXIDIZED) (M-H)-	612.1512	1.385		65359
GLYCEROL 2-PHOSPHATE (M-H)-	172.0128	0.821		2526
GLYCEROL MYRISTATE (M+CL)-	302.2435	22.079		79050
GLYCOCHOLIC ACID (M-H)-	465.3089	19.012		10140
GLYOXYLIC ACID (M-H)-	74	0.679		760
GUANINE (M-H)-	151.0469	0.878		764
GUANOSINE (M+CL)-	283.0928	1.814		6802
GUANOSINE (M-H)-	283.0912	1.833		6802
GUANOSINE 5'-PHOSPHATE (M-H)-	363.0543	0.979		6804
HEPTADECANOIC ACID (M-H)-	270.2555	23.034		10465
HEXACOSANOIC ACID (M-H)-	396.3974	25.719		10469
HIPPURIC ACID (M-H)-	179.0578	4.864		464
HOMOSERINE (M-H)-	119.0582	0.621		12647
HOMOVANILLIC ACID (2M-H)-	182.0586	5.787		1738
HOMOVANILLIC ACID (M-H)-	182.0564	5.789		1738
HYODEOXYCHOLIC ACID (M-H)-	392.2953	22.867		5283820
HYPOXANTHINE (M-H)-	136.0381	1.096		790
INOSINE (M+CL)-	268.0809	1.844		6021
INOSINE (M-H)-	268.0809	1.844		6021
INOSINE 5'-DIPHOSPHATE (M-H)-	428.0099	0.764		6831
INOSINE 5'-PHOSPHATE (M-H)-	348.0471	0.985		8582
ISOCITRIC ACID (M-H)-	192.0242	0.695		5318532
ISOLEUCINE (M-H)-	131.0939	1.624		6306
KYNURENIC ACID (M-H)-	189.0418	5.024		3845
KYNURENINE (M-H)-	208.0832	2.23		161166
L-ARGININE (M-H)-	174.1126	0.61		6322
L-CARNITINE (M+CL)-	161.1043	0.651		10917
L-FUCOSE 1-PHOSPHATE (2M-H)-	244.0322	0.69		439871
L-HISTIDINE (M-H)-	155.0687	0.593		6274
L-TRYPTOPHAN-15N2 [ISTD] (M-H)-	206.0838	3.686		16217285
L-[15N]ANTHRANILIC ACID [ISTD] (M-H)-	138.0444	5.381		227
LAURIC ACID (M-H)-	200.1771	21.811		3893
LIGNOCERIC ACID (M-H)-	368.3649	24.891		11197
LINOLEIC ACID (M-H)-	280.2404	22.747		5280450
LYSINE (M-H)-	146.1051	0.536		5962
LYSOPHOSPHATIDIC ACID (M-H)-	436.2535	25.366		3988
M-HYDROXYMANDELIC ACID (2M-H)-	168.0419	2.105		86957
MALEIC ACID (M-H)-	116.011	1.11		444266
MALIC ACID (M-H)+[-H2O]	134.0215	0.822		222656
MALIC ACID (M-H)-	134.0207	0.843		222656
MALONIC ACID (M-H)-	104.0098	0.841		867
MANDELIC ACID (M-H)-	152.0466	5.719		11914
METHIONINE (M-H)-	149.0484	0.855		6137
METHYL BETA-D-GALACTOSIDE (M+CL)-	194.0773	0.894		94214
METHYLMALONIC ACID (M-H)-	118.0264	1.529		487
MEVALONIC ACID (M-H)-	148.0712	1.556		439230
MYRISTIC ACID (M-H)-	228.2086	22.479		11005
MYRISTOLEIC ACID (M-H)-	226.1925	22.163		5281119
N-ACETYL-ASPARTIC ACID (M-H)-	175.0469	0.979		65065
N-ACETYL-D-GLUCOSAMINE (M+CL)-	221.0866	0.671		446101
N-ACETYL-D-TRYPTOPHAN (M-H)-	246.0998	8.036		439917
N-ACETYL-DL-METHIONINE (M-H)-	191.0613	4.119		448580
N-ACETYL-DL-SERINE (M-H)-	147.0516	0.803		65249
N-ACETYL-L-ALANINE (M-H)-	131.0577	1.514		88064
N-ACETYL-L-LEUCINE (M-H)-	173.1046	7.26		75619
N-ACETYL-L-PHENYLALANINE (M-H)-	207.0906	7.808		74839
N-ACETYLGLYCINE (M-H)-	117.0408	0.918		1097
N-ACETYLNEURAMINIC ACID (M-H)-	309.1025	0.68		444885
N-AMIDINO-ASPARTIC ACID (M+CL)+[-H2O]	175.0628	0.656		439918
N-FORMYLGLYCINE (M-H)-	103.0257	0.646		75606
NAD (M-H)-	663.1075	1.002		5893
NERVONIC ACID (M-H)-	366.3499	24.26		5281120
NICOTINAMIDE HYPOXANTHINE DINUCLEOTIDE (M-H)-	664.083	1.009		440334
O-SUCCINYL-L-HOMOSERINE (M-H)-	219.073	0.97		439406
OLEIC ACID (M-H)-	282.2564	22.949		445639
OMEGA-HYDROXYDODECANOIC ACID (M-H)-	216.1717	17.143		79034
OROTIC ACID (M-H)-	156.0153	0.852		967
OXALIC ACID (M-H)-	89.9962	0.637		971
OXALOACETIC ACID (M-H)-[-H2O]	132.0035	0.564		970
PALMITIC ACID (M-H)-	256.2405	22.868		985
PALMITOLEIC ACID (M-H)-	254.2247	22.614		445638
PANTOTHENIC ACID (M+CL)-	219.1102	3.315		6613
PANTOTHENIC ACID (M-H)-	219.1108	3.317		6613
PHENYLALANINE (M-H)-	165.0789	2.553		6140
PHENYLPYRUVIC ACID (M-H)-	164.0458	5.496		997
PHTHALIC ACID (M-H)-	166.0261	4.919		1017
PHYTANIC ACID (M-H)-	312.2981	23.303		10380830
PIMELIC ACID (M-H)-	160.0729	5.789		385
PROPENOIC ACID (M-H)-	72.0217	1.247		6581
PROTOPORPHYRIN (M-H)-	562.2579	22.954		4971
PURINE (M-H)-	120.0428	1.469		1044
PYRUVIC ACID (M-H)-	88.0159	0.688		1060
RAFFINOSE (M+CL)-	504.1644	0.699		439242
RETINOIC ACID (M-H)-	300.2128	22.339		444795
RIBITOL (M+CL)-	152.0662	0.642		94154
RIBOFLAVIN (M+CL)-	376.1409	7.686		493570
RIBOFLAVIN (M-H)-	376.1377	7.687		493570
RIBOSE (M+CL)-	150.0505	0.665		5779
RIBOSE 5-PHOSPHATE (M-H)-	230.0176	0.647		439167
S-ADENOSYL-L-HOMOCYSTEINE (M-H)-	384.1271	1.355		439155
SEBACIC ACID (M-H)-	202.1198	12.852		5192
SERINE (M-H)-	105.0409	0.605		617
SN-GLYCERO-3-PHOSPHOCHOLINE (M+CL)-	257.1003	0.626		439285
STACHYOSE (M+CL)-	666.2209	0.697		439531
STACHYOSE (M-H)-	666.2137	0.809		439531
STEARIC ACID (M-H)-	284.2718	23.218		5281
SUBERIC ACID (M-H)-	174.0885	8.36		10457
SUCCINIC ACID (M-H)-	118.0267	1.328		1110
SUCROSE (M+CL)-	342.1137	0.677		5988
TAURINE (M-H)-	125.015	0.612		1123
THEOPHYLLINE (M-H)-	180.062	4.375		2153
THYMIDINE (M+CL)-	242.09	2.783		5789
THYMIDINE (M-H)-	242.0894	2.785		5789
THYMIDINE 5'-MONOPHOSPHATE (M-H)-	322.0585	1.569		12803287
THYMINE (M-H)-	126.0419	1.713		1135
TRANS-ACONITIC ACID (M-H)-	174.0165	1.21		444212
TRICARBALLYLIC ACID (M-H)-	176.0301	1.277		14925
TRICARBALLYLIC ACID (M-H)-[-H2O]	176.0291	1.385		14925
TRICOSANOIC ACID (M-H)-	354.3491	24.501		17085
TRIDECANOIC ACID (M-H)-	214.1922	22.147		12530
TRYPTOPHAN (2M-H)-	204.0887	3.689		6305
TRYPTOPHAN (M-H)-	204.0861	3.683		6305
TYROSINE (M-H)-	181.0731	1.349		6057
UDP-GLUCOSE (M-H)-	566.0555	1.196		53477679
UDP-N-ACETYL-D-GALACTOSAMINE (M-H)+[-H2O]	607.076	0.794		23724461
UDP-N-ACETYL-D-GALACTOSAMINE (M-H)-	607.0808	0.908		23724461
UDP-N-ACETYL-D-GLUCOSAMINE (M-H)-	607.0814	1.208		445675
URACIL (M-H)-	112.0272	0.939		1174
URACIL 5-CARBOXYLIC ACID (M-H)-	156.019	1.266		6971263
URIC ACID (M-H)-	168.0278	1.005		1175
URIDINE (M+CL)-	244.0691	1.365		6029
URIDINE (M-H)-	244.0689	1.371		6029
URIDINE-5-MONOPHOSPHATE (M-H)-	324.034	0.856		6030
UROCANIC ACID (M-H)-	138.042	0.933		736715
VALINE (M-H)-	117.0767	0.856		6287
XANTHINE (M-H)-	152.0332	1.282		1188
XANTHOSINE (M-H)-	284.0756	2.38		64959
XANTHOSINE 5'-PHOSPHATE (M-H)-	364.0451	1.028		73323
ZEATIN [ISTD] (M+CL)-	219.1113	3.899		449093
ZEATIN [ISTD] (M-H)-	219.1117	3.904		449093
METABOLITES_END
#END