#METABOLOMICS WORKBENCH araskind_20170619_133932 DATATRACK_ID:1024 STUDY_ID:ST000722 ANALYSIS_ID:AN001130 PROJECT_ID:PR000519
VERSION             	1
CREATED_ON             	July 2, 2017, 9:37 pm
#PROJECT
PR:PROJECT_TITLE                 	Metabolomics of Diapause
PR:PROJECT_TYPE                  	MS analysis
PR:PROJECT_SUMMARY               	Comparing the metabolome/lipidome profiles of diapausing and non-diapausing
PR:PROJECT_SUMMARY               	aedes albopictus eggs
PR:INSTITUTE                     	Georgetown University
PR:DEPARTMENT                    	Department of Biology
PR:LABORATORY                    	Armbruster Lab
PR:LAST_NAME                     	Armbruster
PR:FIRST_NAME                    	Peter
PR:ADDRESS                       	Washington, D.C.
PR:EMAIL                         	paa9@georgetown.edu
PR:PHONE                         	202-687-2567
#STUDY
ST:STUDY_TITLE                   	Metabolomics of Diapause in Aedes albopictus
ST:STUDY_TYPE                    	MS analysis
ST:STUDY_SUMMARY                 	Replicate populations of Aedes albopictus were reared under diapause-inducing
ST:STUDY_SUMMARY                 	short day photoperiod (8h light: 16h dark) and diapause-averting long day
ST:STUDY_SUMMARY                 	photoperiod (16h light:8h dark). Eggs were collected from each replicate and
ST:STUDY_SUMMARY                 	snap-frozen 11d post-oviposition. We hope to characterize the metabolomic and
ST:STUDY_SUMMARY                 	lipidomic profiles of diapausing eggs relative to non-diapause eggs.
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                	16
#SUBJECT
SU:SUBJECT_TYPE                  	Insect
SU:SUBJECT_SPECIES               	Aedes albopictus
SU:TAXONOMY_ID                   	7160
#SUBJECT_SAMPLE_FACTORS:         	SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data
SUBJECT_SAMPLE_FACTORS           	SU0016263	S00026036	Diapause:Diapause	
SUBJECT_SAMPLE_FACTORS           	SU0016264	S00026037	Diapause:Diapause	
SUBJECT_SAMPLE_FACTORS           	SU0016265	S00026038	Diapause:Diapause	
SUBJECT_SAMPLE_FACTORS           	SU0016266	S00026039	Diapause:Diapause	
SUBJECT_SAMPLE_FACTORS           	SU0016267	S00026040	Diapause:Non-Diapause	
SUBJECT_SAMPLE_FACTORS           	SU0016268	S00026041	Diapause:Non-Diapause	
SUBJECT_SAMPLE_FACTORS           	SU0016269	S00026042	Diapause:Non-Diapause	
SUBJECT_SAMPLE_FACTORS           	SU0016270	S00026043	Diapause:Non-Diapause	
SUBJECT_SAMPLE_FACTORS           	SU0016271	S00026044	Diapause:Diapause	
SUBJECT_SAMPLE_FACTORS           	SU0016272	S00026045	Diapause:Diapause	
SUBJECT_SAMPLE_FACTORS           	SU0016273	S00026046	Diapause:Diapause	
SUBJECT_SAMPLE_FACTORS           	SU0016274	S00026047	Diapause:Diapause	
SUBJECT_SAMPLE_FACTORS           	SU0016275	S00026048	Diapause:Non-Diapause	
SUBJECT_SAMPLE_FACTORS           	SU0016276	S00026049	Diapause:Non-Diapause	
SUBJECT_SAMPLE_FACTORS           	SU0016277	S00026050	Diapause:Non-Diapause	
SUBJECT_SAMPLE_FACTORS           	SU0016278	S00026051	Diapause:Non-Diapause	
#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 normalized
MS_METABOLITE_DATA_START
Samples	S00026044	S00026045	S00026046	S00026047	S00026048	S00026049	S00026050	S00026051
Factors	Diapause:Diapause	Diapause:Diapause	Diapause:Diapause	Diapause:Diapause	Diapause:Non-Diapause	Diapause:Non-Diapause	Diapause:Non-Diapause	Diapause:Non-Diapause
1-METHYLURIC ACID (2M-H)-	4658	4773	2283	1007	2291	783	341	1180
1-METHYLURIC ACID (M-H)-	51606	50658	40803	31414	39391	29821	27869	37324
18:0 LYSO-PE (M-H)-	60573	101182	63023	36844	53573	33000	61993	31204
2'-DEOXYINOSINE (M+CL)-	1640	7344	4080	11308	33477	9523	15794	2304
2-METHYLMALEIC ACID (M-H)-	21172	33520	21852	17083	14775	14954	17482	16790
3-HYDROXY-3-METHYLGLUTARIC ACID (M-H)-	106676	94126	95523	64897	157834	84750	67730	152221
3-METHYL-2-OXOPENTANOIC ACID (M-H)-	4312	7476	5178	4896	5474	8561	3809	16067
3-PHOSPHOGLYCERIC ACID (M-H)-	2997	3564	5393	7555	6405	8698	12128	10122
3-SULFINO-L-ALANINE (M-H)-	1615	1143	4859	4207	3654	7148	6088	4583
4-ACETAMIDOBUTANOIC ACID (M-H)-	9570	12853	10839	10095	7341	8060	7783	8512
4-HYDROXYBENZOIC ACID (M-H)-	15437	18373	20614	22262	18444	15626	17059	16924
4-METHYL-2-OXOPENTANOIC ACID (M-H)-	10744	17449	11886	10807	10225	14411	7191	23778
4-NITROPHENOL (M-H)-	15645	15181	20035	25066	13230	14752	17425	14877
4-PYRIDOXIC ACID (M-H)-	27193	16053	22631	15200	27961	25828	23274	20084
5'-METHYLTHIOADENOSINE (M+CL)-	12562	18036	18529	6109	8571	14426	11490	12305
5-AMINOPENTANOIC ACID (M-H)-	3187	5029	6442	7179	5292	4508	4351	6674
ADENOSINE 5'-MONOPHOSPHATE (2M-H)+	5682	6447	9730	9256	9100	10374	11487	10825
ADENOSINE 5'-MONOPHOSPHATE (M-H)-	30870	32643	61636	76494	56598	77400	91094	88628
ADIPIC ACID (M-H)-	25834	38398	53573	38013	21606	65654	30726	36803
ALLANTOIN (M-H)-	9657	9951	15820	25638	22353	32006	28411	32758
ALPHA-KETO-GLUTARIC ACID (M-H)-	928212	1152758	1058816	1409103	1189298	1344303	1694207	2132402
ARACHIDIC ACID (M-H)-	18451	29672	20394	20995	27647	25327	30498	21941
ARACHIDONIC ACID (M-H)-	113379	195884	175702	205063	223179	214210	380374	247208
ASPARAGINE (M-H)-	16587	12286	33248	57654	16143	43279	82983	58506
ASPARTIC ACID (M-H)-	7296	7641	27919	39744	50482	58053	64537	68408
AZELAIC ACID (M-H)-	7185	12093	15253	11850	50808	22928	12550	10136
BEHENIC ACID (M-H)-	6858	10322	4680	4510	5862	8820	7511	4991
BENZOIC ACID (M-H)-	8581	13768	10344	10059	9034	7445	10851	10242
CIS-11-EICOSENOIC ACID (M-H)-	2213	6655	2850	2660	2428	7593	2954	2255
CYSTINE (M-H)-	2273	1085	5650	6236	2903	6121	5757	5365
D-GLUCOSAMINE (M+CL)-	46184	46096	88399	145275	84390	122301	205816	155982
D-GLUCOSE 6-PHOSPHATE (M-H)-	11821	12514	32268	77685	27890	57282	71235	58061
DEHYDROASCORBIC ACID (M-H)-	22645	24447	76569	106378	71727	92917	87628	45086
DEOXYURIDINE (M+CL)-	20438	175183	195467	868991	894883	431929	700605	126974
DOCOSAHEXAENOIC ACID (M-H)-	5837	8473	9625	10291	10727	9625	15703	13925
DUMP (M-H)-	6544	7555	3472		5212	4271	1820	3419
EPIBRASSINOLIDE [ISTD] (M+CL)-	150572	196300	269052	296981	187503	252384	350951	307071
FUMARIC ACID (M-H)-	37470	16826	72044	108733	43785	58857	61317	79580
GLUCARIC ACID (M-H)-	17113	2783	5746	8726	7057	10774	11252	11400
GLUCONIC ACID (M-H)-	65669	135115	143873	276735	155043	239118	244988	302164
GLUCOSE (M+CL)-	482756	502505	870871	1495278	999305	1371013	1483248	1629797
GLUCURONIC ACID (M+CL)-	2184	2169	12646	19045	13107	13060	14366	10847
GLUCURONIC ACID (M-H)-	8574	9017	17654	35746	20058	37448	42197	38533
GLUTAMIC ACID (M-H)-	276181	291711	514056	1079788	569390	887085	1115564	1177824
GLUTAMINE (M-H)-	103402	60113	163897	246744	72603	203720	354327	241601
GLUTARIC ACID (M-H)-	3581	3495	2429	1685	7174	3417	2547	16681
GLYCINE (M-H)-	2107	756	2566	3486	1208	2733	5742	3102
GUANOSINE (M-H)-	17929	22826	23407	28506	26150	27528	29330	29356
HEPTADECANOIC ACID (M-H)-	4636	11746	7258	11051	5725	19905	9858	9001
HEXACOSANOIC ACID (M-H)-	2229	6491	2493	3064	1407	19615	2478	1218
HOMOSERINE (M-H)-	32610	14418	45653	64816	19031	53052	89938	60871
HYODEOXYCHOLIC ACID (M-H)-	385176	554792	571134	766150	563904	671146	784554	800566
INOSINE (M+CL)-	183986	179492	337579	494533	367478	418868	421200	411013
INOSINE (M-H)-	338411	349470	418783	529044	482168	499271	473159	463894
ISOCITRIC ACID (M-H)-	143079	137644	1300496	1334301	875639	1217817	1041837	256707
ISOLEUCINE (M-H)-	264241	201399	383513	366856	334777	264021	202543	282608
KYNURENIC ACID (M-H)-	11897	8328	7275	8994	9415	6973	7671	9899
L-HISTIDINE (M-H)-	31410	36283	42550	84754	37030	74931	106960	77937
L-TRYPTOPHAN-15N2 [ISTD] (M-H)-	15103	19926	31623	34994	21806	26797	39851	35838
L-[15N]ANTHRANILIC ACID [ISTD] (M-H)-	53906	67255	81826	86676	61207	64100	84116	74678
LAURIC ACID (M-H)-	4540	7043	6299	4098	4813	8265	6578	4138
LIGNOCERIC ACID (M-H)-	5358	10349	6114	6755	5487	25799	7938	6084
LINOLEIC ACID (M-H)-	185945	222364	246881	287537	243179	351876	438116	277771
LYSINE (M-H)-	1174	2848	2137	2577	1414	1916	2020	2115
METHYL BETA-D-GALACTOSIDE (M+CL)-	16473	14026	14518	21435	17464	22496	30587	34682
MYRISTIC ACID (M-H)-	17367	20923	25722	33756	23492	50765	35985	34186
MYRISTOLEIC ACID (M-H)-	79019	101214	109979	81746	103871	141665	155971	86724
N-ACETYL--GLUTAMIC ACID (M-H)-	1857281	1349166	1691398	1845959	1216187	1323979	1169202	1250292
N-ACETYL-ASPARTIC ACID (M-H)-	5810827	6144293	8314257	9492120	7502419	8957008	10006662	10295342
N-ACETYL-D-GLUCOSAMINE (M+CL)-	7255	40565	14487	45678	17469	23217	29471	33207
N-ACETYL-DL-METHIONINE (M-H)-	125692	132698	84745	42716	53662	37340	33449	46270
N-ACETYL-L-ALANINE (M-H)-	49437	166798	62170	69066	76893	69253	56244	61427
N-ACETYL-L-LEUCINE (M-H)-	3073	7154	5692	2385	2338	2448	2022	2797
N-ACETYLNEURAMINIC ACID (M-H)-	7161	8156	12152	25712	13025	19867	22967	26498
N-METHYL-GLUTAMIC ACID (M-H)-	14054	14080	14479	22565	19301	22593	28449	36201
OLEIC ACID (M-H)-	673276	1506252	734012	696012	714663	701895	1147372	640759
OROTIC ACID (M-H)-	43758	33811	24883	218721	104460	49539	35942	75184
OXALOACETIC ACID (M-H)-[-H2O]	22935	27519	38924	57191	38189	46454	58517	55508
PALMITIC ACID (M-H)-	238417	388884	267151	288068	250969	311332	388496	277457
PALMITOLEIC ACID (M-H)-	685016	912677	1000792	1221148	877046	1067222	1553566	1061554
PANTOTHENIC ACID (M+CL)-	37523	38371	25605	15748	21388	21034	13775	18892
PANTOTHENIC ACID (M-H)-	92729	91868	70110	59059	61343	70528	53161	57948
PHENYLALANINE (M-H)-	746460	1072085	822782	758576	828561	518074	430105	637237
PROPENOIC ACID (M-H)-	4229	1596	7002	13259	4661	5987	7921	9113
PYRUVIC ACID (M-H)-	19949	27913	23192	31151	29066	31794	35675	39328
RAFFINOSE (M+CL)-	31796	31127	49808	75777	37028	48533	75923	71724
RIBOFLAVIN (M+CL)-	36365	28463	24706	18558	10085	12837	9417	13878
RIBOSE (M+CL)-	7009	2679	3922	5360	6553	6418	6470	6786
SALICYLIC ACID (M-H)-	138246	334392	142896	163561	99102	68813	63248	58802
SERINE (M-H)-	10251	8320	14793	28747	12199	27495	38065	27796
SN-GLYCERO-3-PHOSPHOCHOLINE (M+CL)-	5602	6728	9840	12980	13267	13409	14719	18343
STACHYOSE (M+CL)-	2668	3519	4678	7603	3952	5360	8692	7140
STEARIC ACID (M-H)-	94576	200025	115100	152020	118345	141422	155292	153999
SUBERIC ACID (M-H)-	3830	5316	6675	5234	4116	13847	5491	8345
SUCCINIC ACID (M-H)-	353775	287649	459158	579774	532018	695456	646291	572163
SUCROSE (M+CL)-	236796	173947	239157	367993	208434	232733	293074	341717
TAURINE (M-H)-	2215	1533	4230	6726	3022	4323	6389	5879
THYMIDINE (M+CL)-	96742	383294	327939	468859	837114	298487	480390	141597
THYMIDINE (M-H)-	2499	8611	9326	14854	24577	10179	16327	4472
TRANS-ACONITIC ACID (M-H)-	489907	604046	1896653	1265728	702044	732396	1296790	1675625
TRYPTOPHAN (2M-H)-	10837	15894	11326	6425	8473	5448	3638	7083
TRYPTOPHAN (M-H)-	92852	130807	131225	111058	99385	87823	92089	111209
TYROSINE (M-H)-	41863	32344	55714	85059	53330	59137	60792	67299
UDP-N-ACETYL-D-GALACTOSAMINE (M-H)-	6769	9113	13025	19322	8343	11945	15762	14740
URIC ACID (M-H)-	49166	37604	66051	153293	49276	40000	110716	162338
URIDINE (M+CL)-	1482661	1353829	2522669	4981082	3072143	3632439	3921492	3845192
URIDINE (M-H)-	99544	93417	145693	229701	158641	160241	160352	161494
URIDINE-5-MONOPHOSPHATE #2 (M-H)-	25292	19520	24785	83980	39778	23853	34077	50450
URIDINE-5-MONOPHOSPHATE (M-H)-	25292	19520	24785	83349	39778	22746	27933	49503
XANTHINE (M-H)-	3629	3145	24470	12359	64782	45148	56745	40923
XANTHOSINE (M-H)-	48768	47760	68099	25127	27460	28363	22093	32497
XANTHURENIC ACID (M-H)-	178505	188493	122381	56672	81432	71066	59046	93903
ZEATIN [ISTD] (M+CL)-	291000	299642	482744	542095	344600	448884	629573	573050
ZEATIN [ISTD] (M-H)-	74234	76494	137565	155482	96367	122226	175766	167526
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
1-METHYLURIC ACID (2M-H)-	182.0463	2.184		69726
1-METHYLURIC ACID (M-H)-	182.0423	2.18		69726
18:0 LYSO-PE (M-H)-	481.3184	22.651		9547068
2'-DEOXYINOSINE (M+CL)-	252.0871	2.067		65058
2-METHYLMALEIC ACID (M-H)-	130.0268	1.834		643798
3-HYDROXY-3-METHYLGLUTARIC ACID (M-H)-	162.0523	1.525		1662
3-METHYL-2-OXOPENTANOIC ACID (M-H)-	130.0632	4.411		440877
3-PHOSPHOGLYCERIC ACID (M-H)-	185.9947	0.765		439183
3-SULFINO-L-ALANINE (M-H)-	153.0077	0.617		109
4-ACETAMIDOBUTANOIC ACID (M-H)-	145.0732	1.803		18189
4-HYDROXYBENZOIC ACID (M-H)-	138.0315	4.056		135
4-METHYL-2-OXOPENTANOIC ACID (M-H)-	130.0633	4.826		70
4-NITROPHENOL (M-H)-	139.0266	7.041		980
4-PYRIDOXIC ACID (M-H)-	183.0527	1.85		6723
5'-METHYLTHIOADENOSINE (M+CL)-	297.0906	4.43		439176
5-AMINOPENTANOIC ACID (M-H)-	117.0776	0.708		138
ADENOSINE 5'-MONOPHOSPHATE (2M-H)+	347.0613	0.928		6083
ADENOSINE 5'-MONOPHOSPHATE (M-H)-	347.0623	0.925		6083
ADIPIC ACID (M-H)-	146.0577	3.579		196
ALLANTOIN (M-H)-	158.0431	0.633		439714
ALPHA-KETO-GLUTARIC ACID (M-H)-	146.0217	0.91		51
ARACHIDIC ACID (M-H)-	312.3034	23.597		10467
ARACHIDONIC ACID (M-H)-	304.2414	22.699		444899
ASPARAGINE (M-H)-	132.0539	0.577		6267
ASPARTIC ACID (M-H)-	133.0374	0.593		5960
AZELAIC ACID (M-H)-	188.1047	10.796		2266
BEHENIC ACID (M-H)-	340.335	24.119		8215
BENZOIC ACID (M-H)-	122.0366	4.926		243
CIS-11-EICOSENOIC ACID (M-H)-	310.2876	23.271		5282768
CYSTINE (M-H)-	240.0249	0.591		6857538
D-GLUCOSAMINE (M+CL)-	179.0794	0.588		439213
D-GLUCOSE 6-PHOSPHATE (M-H)-	260.0315	0.639		5958
DEHYDROASCORBIC ACID (M-H)-	174.0172	0.714		440667
DEOXYURIDINE (M+CL)-	228.076	1.531		13712
DOCOSAHEXAENOIC ACID (M-H)-	328.2422	22.689		445580
DUMP (M-H)-	308.0419	0.983		65063
EPIBRASSINOLIDE [ISTD] (M+CL)-	480.3463	19.904		115196
FUMARIC ACID (M-H)-	116.011	1.219		444972
GLUCARIC ACID (M-H)-	210.0386	0.654		33037
GLUCONIC ACID (M-H)-	196.0586	0.639		10690
GLUCOSE (M+CL)-	180.0643	0.619		5793
GLUCURONIC ACID (M+CL)-	194.0439	0.629		94715
GLUCURONIC ACID (M-H)-	194.042	0.62		94715
GLUTAMIC ACID (M-H)-	147.0536	0.627		33032
GLUTAMINE (M-H)-	146.0698	0.614		5961
GLUTARIC ACID (M-H)-	132.0419	2.018		743
GLYCINE (M-H)-	75.0334	0.584		750
GUANOSINE (M-H)-	283.0922	1.798		6802
HEPTADECANOIC ACID (M-H)-	270.2557	23.01		10465
HEXACOSANOIC ACID (M-H)-	396.3975	25.791		10469
HOMOSERINE (M-H)-	119.0579	0.588		12647
HYODEOXYCHOLIC ACID (M-H)-	392.2959	22.865		5283820
INOSINE (M+CL)-	268.082	1.808		6021
INOSINE (M-H)-	268.0816	1.814		6021
ISOCITRIC ACID (M-H)-	192.0271	0.77		5318532
ISOLEUCINE (M-H)-	131.0942	1.489		6306
KYNURENIC ACID (M-H)-	189.0422	4.984		3845
L-HISTIDINE (M-H)-	155.0696	0.574		6274
L-TRYPTOPHAN-15N2 [ISTD] (M-H)-	206.084	3.54		16217285
L-[15N]ANTHRANILIC ACID [ISTD] (M-H)-	138.0445	5.313		227
LAURIC ACID (M-H)-	200.178	21.775		3893
LIGNOCERIC ACID (M-H)-	368.3662	24.828		11197
LINOLEIC ACID (M-H)-	280.2411	22.72		5280450
LYSINE (M-H)-	146.1052	0.507		5962
METHYL BETA-D-GALACTOSIDE (M+CL)-	194.0786	0.698		94214
MYRISTIC ACID (M-H)-	228.2092	22.447		11005
MYRISTOLEIC ACID (M-H)-	226.1937	22.108		5281119
N-ACETYL--GLUTAMIC ACID (M-H)-	189.064	1.286		185
N-ACETYL-ASPARTIC ACID (M-H)-	175.0482	0.955		65065
N-ACETYL-D-GLUCOSAMINE (M+CL)-	221.0906	0.661		446101
N-ACETYL-DL-METHIONINE (M-H)-	191.0616	4.049		448580
N-ACETYL-L-ALANINE (M-H)-	131.0581	1.465		88064
N-ACETYL-L-LEUCINE (M-H)-	173.1047	7.19		75619
N-ACETYLNEURAMINIC ACID (M-H)-	309.107	0.607		444885
N-METHYL-GLUTAMIC ACID (M-H)-	161.0673	0.702		439377
OLEIC ACID (M-H)-	282.2572	22.914		445639
OROTIC ACID (M-H)-	156.017	0.704		967
OXALOACETIC ACID (M-H)-[-H2O]	132.0034	0.515		970
PALMITIC ACID (M-H)-	256.241	22.837		985
PALMITOLEIC ACID (M-H)-	254.2256	22.58		445638
PANTOTHENIC ACID (M+CL)-	219.1111	3.289		6613
PANTOTHENIC ACID (M-H)-	219.1099	3.282		6613
PHENYLALANINE (M-H)-	165.0787	2.455		6140
PROPENOIC ACID (M-H)-	72.0217	1.236		6581
PYRUVIC ACID (M-H)-	88.0163	0.724		1060
RAFFINOSE (M+CL)-	504.1711	0.671		439242
RIBOFLAVIN (M+CL)-	376.1396	7.639		493570
RIBOSE (M+CL)-	150.053	0.662		5779
SALICYLIC ACID (M-H)-	138.0316	3.748		338
SERINE (M-H)-	105.043	0.572		617
SN-GLYCERO-3-PHOSPHOCHOLINE (M+CL)-	257.0995	0.611		439285
STACHYOSE (M+CL)-	666.2248	0.674		439531
STEARIC ACID (M-H)-	284.2723	23.176		5281
SUBERIC ACID (M-H)-	174.0889	8.308		10457
SUCCINIC ACID (M-H)-	118.0268	1.308		1110
SUCROSE (M+CL)-	342.1168	0.647		5988
TAURINE (M-H)-	125.0149	0.589		1123
THYMIDINE (M+CL)-	242.091	2.724		5789
THYMIDINE (M-H)-	242.0903	2.727		5789
TRANS-ACONITIC ACID (M-H)-	174.0162	1.216		444212
TRYPTOPHAN (2M-H)-	204.0885	3.546		6305
TRYPTOPHAN (M-H)-	204.0901	3.545		6305
TYROSINE (M-H)-	181.0733	1.278		6057
UDP-N-ACETYL-D-GALACTOSAMINE (M-H)-	607.082	0.912		23724461
URIC ACID (M-H)-	168.0273	0.978		1175
URIDINE (M+CL)-	244.0706	1.353		6029
URIDINE (M-H)-	244.0699	1.386		6029
URIDINE-5-MONOPHOSPHATE #2 (M-H)-	324.0391	0.847		6030
URIDINE-5-MONOPHOSPHATE (M-H)-	324.0421	0.817		6030
XANTHINE (M-H)-	152.033	1.247		1188
XANTHOSINE (M-H)-	284.0764	2.338		64959
XANTHURENIC ACID (M-H)-	205.0377	4.593		5699
ZEATIN [ISTD] (M+CL)-	219.1126	3.82		449093
ZEATIN [ISTD] (M-H)-	219.1122	3.817		449093
METABOLITES_END
#END