#METABOLOMICS WORKBENCH ftayyari1_20190514_131547 DATATRACK_ID:1725 STUDY_ID:ST001182 ANALYSIS_ID:AN001960 PROJECT_ID:PR000794
VERSION             	1
CREATED_ON             	May 15, 2019, 6:58 pm
#PROJECT
PR:PROJECT_TITLE                 	Correlations between LC-MS/MS-detected Glycomics and NMR- detected Metabolomics
PR:PROJECT_TITLE                 	in Caenorhabditis elegans Development.
PR:PROJECT_SUMMARY               	New approach to evaluate the relationship between Caenorhabditis elegans
PR:PROJECT_SUMMARY               	development, glycan abundance, and metabolites
PR:INSTITUTE                     	University of Georgia
PR:DEPARTMENT                    	Complex Carbohydrate Research Center
PR:LABORATORY                    	Edison
PR:LAST_NAME                     	Edison
PR:FIRST_NAME                    	Arthur
PR:ADDRESS                       	315 Riverbend Road, Athens, GA, 30602, USA
PR:EMAIL                         	asedison@uga.edu
PR:PHONE                         	706-542-8156
#STUDY
ST:STUDY_TITLE                   	Correlations between LC-MS/MS-detected Glycomics and NMR-detected Metabolomics
ST:STUDY_TITLE                   	in Caenorhabditis (part -I) elegans Development.
ST:STUDY_SUMMARY                 	This study examines the relationship between glycans, metabolites, and
ST:STUDY_SUMMARY                 	development in C. elegans. Samples of N2 animals were synchronized and grown to
ST:STUDY_SUMMARY                 	five different time points that ranged from L1 to a mixed population of adults,
ST:STUDY_SUMMARY                 	gravid adults, and offspring.
ST:INSTITUTE                     	University of Georgia
ST:DEPARTMENT                    	Complex Carbohydrate Research Center
ST:LABORATORY                    	Edison/ Wells
ST:LAST_NAME                     	Edison
ST:FIRST_NAME                    	Arthur
ST:ADDRESS                       	315 Riverbend Road Athens, Georgia 30602-4712 USA
ST:EMAIL                         	aedison@uga.edu
ST:PHONE                         	706-542-8156
#SUBJECT
SU:SUBJECT_TYPE                  	Other
SU:SUBJECT_SPECIES               	Caenorhabditis elegans
SU:TAXONOMY_ID                   	6239
#SUBJECT_SAMPLE_FACTORS:         	SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data
SUBJECT_SAMPLE_FACTORS           	L4/young adult	1_01_PMe	Time Point:3	
SUBJECT_SAMPLE_FACTORS           	adults, gravid adults with mixed-stage offspring	7_02_PMe	Time Point:5	
SUBJECT_SAMPLE_FACTORS           	adults, gravid adults with mixed-stage offspring	6_01_PMe	Time Point:5	
SUBJECT_SAMPLE_FACTORS           	adults, gravid adults with mixed-stage offspring	8_04_PMe	Time Point:5	
SUBJECT_SAMPLE_FACTORS           	adult	7_01_PMe	Time Point:4	
SUBJECT_SAMPLE_FACTORS           	L2/L3	8_03_PMe	Time Point:2	
SUBJECT_SAMPLE_FACTORS           	Adults	6_04_PMe	Time Point:4	
SUBJECT_SAMPLE_FACTORS           	L2/L3	7_03_PMe	Time Point:2	
SUBJECT_SAMPLE_FACTORS           	L4/young adult	5_01_PMe	Time Point:3	
SUBJECT_SAMPLE_FACTORS           	adult	5_02_PMe	Time Point:4	
SUBJECT_SAMPLE_FACTORS           	adult	8_02_PMe	Time Point:4	
SUBJECT_SAMPLE_FACTORS           	L4/young adult	4_01_PMe	Time Point:3	
SUBJECT_SAMPLE_FACTORS           	L4/young adult	7_04_PMe	Time Point:3	
SUBJECT_SAMPLE_FACTORS           	L4/young adult	6_03_PMe	Time Point:3	
SUBJECT_SAMPLE_FACTORS           	adults, gravid adults with mixed-stage offspring	4_02_PMe	Time Point:5	
SUBJECT_SAMPLE_FACTORS           	adults, gravid adults with mixed-stage offspring	1_04_PMe	Time Point:5	
SUBJECT_SAMPLE_FACTORS           	L2/L3	3_01_PMe	Time Point:2	
SUBJECT_SAMPLE_FACTORS           	L2/L3	5_04_PMe	Time Point:2	
SUBJECT_SAMPLE_FACTORS           	adult	4_04_PMe	Time Point:4	
SUBJECT_SAMPLE_FACTORS           	L4/young adult	8_01_PMe	Time Point:3	
SUBJECT_SAMPLE_FACTORS           	adult	3_03_PMe	Time Point:4	
SUBJECT_SAMPLE_FACTORS           	L2/L3	6_02_PMe	Time Point:2	
SUBJECT_SAMPLE_FACTORS           	adults, gravid adults with mixed-stage offspring	3_04_PMe	Time Point:5	
SUBJECT_SAMPLE_FACTORS           	L2/L3	1_02_PMe	Time Point:2	
SUBJECT_SAMPLE_FACTORS           	L4/young adult	3_02_PMe	Time Point:3	
SUBJECT_SAMPLE_FACTORS           	L2/L3	4_03_PMe	Time Point:2	
SUBJECT_SAMPLE_FACTORS           	adult	1_03_PMe	Time Point:4	
SUBJECT_SAMPLE_FACTORS           	adults, gravid adults with mixed-stage offspring	5_03_PMe	Time Point:5	
SUBJECT_SAMPLE_FACTORS           	L1	L1s_PMe	Time Point:1	
#COLLECTION
CO:COLLECTION_SUMMARY            	This study used N2, the laboratory reference strain of C. elegans, which was
CO:COLLECTION_SUMMARY            	obtained from the Caenorhabditis Genetics Center (CGC). We followed the general
CO:COLLECTION_SUMMARY            	protocol published previously for obtaining liquid cultures of synchronized
CO:COLLECTION_SUMMARY            	worms. This defines our biological replicate: A single L1 animal from a
CO:COLLECTION_SUMMARY            	synchronized culture was placed onto an agar plate seeded with E. coli MG1655.
CO:COLLECTION_SUMMARY            	This plate was grown until there were a large number of young gravid adult
CO:COLLECTION_SUMMARY            	hermaphrodites (about 48 h at 24 °C. The plate was then washed into a 15 mL
CO:COLLECTION_SUMMARY            	tube with M9 buffer, rinsed 3x with M9, and lysed with an alkaline hypochlorite
CO:COLLECTION_SUMMARY            	solution until about 50% of the worms were dissolved (no more than 5 min). Then,
CO:COLLECTION_SUMMARY            	M9 buffer was added to dilute the lysing solution, and the liquid was removed
CO:COLLECTION_SUMMARY            	after gentle centrifugation at 580 g for 2 min to pellet the eggs without
CO:COLLECTION_SUMMARY            	breaking them. This step was repeated 3x to completely remove the lysis
CO:COLLECTION_SUMMARY            	solution. After the final rinse, eggs were resuspended in sterile water before a
CO:COLLECTION_SUMMARY            	sucrose gradient to remove cellular debris and bacteria. An equal volume (5 mL)
CO:COLLECTION_SUMMARY            	of 60% sucrose was added to the eggs in water and centrifuged at 350 g for 4
CO:COLLECTION_SUMMARY            	min. The eggs were rinsed to remove residual sucrose and once they hatched,
CO:COLLECTION_SUMMARY            	approximately 200,000 animals were transferred to 20 mL of S-complete with 2 mL
CO:COLLECTION_SUMMARY            	of 50% MG1655. This material was grown to the desired developmental stage and
CO:COLLECTION_SUMMARY            	prepared as described below. The C. elegans cultures were synchronized, but they
CO:COLLECTION_SUMMARY            	gradually lost synchrony over time. We collected samples at 5 different time
CO:COLLECTION_SUMMARY            	points (T1-T5) in development. We report results using these time points rather
CO:COLLECTION_SUMMARY            	than developmental larval stages, since they are not all pure stage cultures.
CO:COLLECTION_SUMMARY            	The first time, T1, was collected immediately after hatching and was perfectly
CO:COLLECTION_SUMMARY            	synchronized L1 animals, but as time progressed the cultures became more mixed.
CO:COLLECTION_SUMMARY            	The other samples were collected at 22, 36, 49, and 90 hours (T2, T3, T4, and
CO:COLLECTION_SUMMARY            	T5, respectively) after feeding the cultures. T5 was a mixture of adults, gravid
CO:COLLECTION_SUMMARY            	adults, and offspring. Each of the five time points were replicated seven times.
CO:COLLECTION_SUMMARY            	Stage-specific information can be recovered, even with samples that have lost
CO:COLLECTION_SUMMARY            	synchrony.
CO:SAMPLE_TYPE                   	Worms
#TREATMENT
TR:TREATMENT_SUMMARY             	N/A
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	Preparation of released glycans followed by permethylation
#CHROMATOGRAPHY
CH:CHROMATOGRAPHY_TYPE           	None (Direct infusion)
CH:INSTRUMENT_NAME               	none
CH:COLUMN_NAME                   	none
CH:FLOW_GRADIENT                 	linear gradient from 30% to 70% LC-MS Buffer B
CH:FLOW_RATE                     	300 nL/min
CH:COLUMN_TEMPERATURE            	60°C
CH:SOLVENT_A                     	1 mM LiOAc and 0.02% acetic acid
CH:SOLVENT_B                     	1 mM LiOAc and 0.02% acetic acid, 80% Acetonitrile
CH:COLUMN_PRESSURE               	120 bar
CH:INJECTION_TEMPERATURE         	RT
CH:INTERNAL_STANDARD             	13C-Permethylated isomaltopentaose (DP5)
CH:SAMPLE_INJECTION              	5 µL
CH:ANALYTICAL_TIME               	180 min
CH:OVEN_TEMPERATURE              	60 °C
#ANALYSIS
AN:ANALYSIS_TYPE                 	MS
AN:LABORATORY_NAME               	Wells Lab
AN:OPERATOR_NAME                 	Osman M Sheikh/ Brent Weatherly
#MS
MS:INSTRUMENT_NAME               	Thermo Velos Pro Linear Ion Trap
MS:INSTRUMENT_TYPE               	Ion trap
MS:MS_TYPE                       	ESI
MS:ION_MODE                      	POSITIVE
MS:MS_COMMENTS                   	protocol added
MS:CAPILLARY_TEMPERATURE         	210 °C
MS:COLLISION_ENERGY              	50%
MS:COLLISION_GAS                 	N2
MS:DRY_GAS_FLOW                  	N/A
MS:DRY_GAS_TEMP                  	N/A
MS:FRAGMENTATION_METHOD          	CID
MS:ION_SPRAY_VOLTAGE             	1.8 kV
MS:IONIZATION                    	Nanospray
MS:MASS_ACCURACY                 	0.1 Da
#MS_METABOLITE_DATA
MS_METABOLITE_DATA:UNITS	peak area 
MS_METABOLITE_DATA_START
Samples	1_01_PMe	7_02_PMe	6_01_PMe	8_04_PMe	7_01_PMe	8_03_PMe	6_04_PMe	7_03_PMe	5_01_PMe	5_02_PMe	8_02_PMe	4_01_PMe	7_04_PMe	6_03_PMe	4_02_PMe	1_04_PMe	3_01_PMe	5_04_PMe	4_04_PMe	8_01_PMe	3_03_PMe	6_02_PMe	3_04_PMe	1_02_PMe	3_02_PMe	4_03_PMe	1_03_PMe	5_03_PMe	L1s_PMe	
Factors	Time Point:3	Time Point:5	Time Point:5	Time Point:5	Time Point:4	Time Point:2	Time Point:4	Time Point:2	Time Point:3	Time Point:4	Time Point:4	Time Point:3	Time Point:3	Time Point:3	Time Point:5	Time Point:5	Time Point:2	Time Point:2	Time Point:4	Time Point:3	Time Point:4	Time Point:2	Time Point:5	Time Point:2	Time Point:3	Time Point:2	Time Point:4	Time Point:5	Time Point:1
Hex1HexNAc1	2.870218698	1.529720487	1.143841342	6.021840657	0.267318947	0.106093355	2.031775781	0.493211749	0.84403924	4.878985553	2.205420385	1.498942848	1.194934306	1.966203553	3.38532748	1.388584506	0.747440127	0.758515602	4.118438382	2.909174502	4.596835263	0.41376394	3.209147764	0.942968929	0.261291329	0.743145929	7.884434057	2.80732545	4.127069091	
Hex2HexNAc1	0.829530033	6.531340615	5.529460104	3.067634373	1.133889055	1.472140825	8.065412774	0.461745355	3.222724523	2.466757052	2.306749513	0.747806723	0.669996747	1.984478295	2.120457845	6.277643252	0.02810173	0.360344982	0.846459891	1.637813611	1.37694074	0.876953374	1.367076903	0.364969226	2.664802917	0.173893645	3.301540977	1.315727105	2.368671395	
Hex3HexNAc1	0.419173307	1.50454373	4.62478437	2.411953488	0.595853138	0.255384921	7.004468023	0.261116843	1.413694417	2.492614621	3.423373244	0.982045003	0.871425352	0.845625125	3.09851245	4.714896961	0.19908532	0.196379673	1.971236298	1.393050079	2.115895176	0.766872342	1.132215568	0.319967164	1.969294419	0.202226331	2.928469417	0.901353251	1.584257866	
Hex4HexNAc1	13.67973582	12.89026322	8.294222566	15.15713263	1.617441347	2.365344499	17.75858952	3.996667215	13.88527032	28.56940995	29.76661435	16.42090469	17.05818073	14.14123337	16.06472966	9.112922368	4.451997669	3.879225743	30.69178864	9.411689425	29.47754104	2.89136933	20.6388948	3.656395921	16.73020985	4.045465146	23.47834405	22.26081711	6.532817219	
Hex1HexNAc1HexA1	0.007010854	0.223482006	0.50975691	0	0.030703322	0.013830164	0	0.012652992	0	0	0.070747945	0.017897304	0.033060532	0	0.145692622	0.421037016	0	0.016081058	0	0	0	0.031322525	0.136100724	0.014421544	0	0.008452577	0	0.055700752	0.000854911	
Hex2HexNAc1HexA1	0	0.028328549	0.283490175	0	0.02231099	0	0.144987707	0.000391117	0	0	0.056654846	0	0.002454481	0	0.125409096	0.281573633	0	0.009061736	0	0	0	0	0.013583737	0	0	0.001650004	0	0.001284187	0	
Hex3HexNAc1HexA1	0.285095854	1.561595577	3.774410802	0.025372511	0.598650241	0.031871367	4.759741213	0.095099231	0	0.216822622	2.01916811	0.484086636	0.460339355	0.033881159	2.110737857	2.560950629	0.015732516	0.136644479	1.55044812	0	2.110934714	0.160405801	1.538462006	0.081600379	0	0.174466254	0.076263524	1.010321791	0.049079342	
Hex4HexNAc1HexA1	0.124969222	0.116815073	0.899073048	0.00725032	0.009524059	0.015381869	0.148345527	0.068559214	0.072328032	0.047054747	0.273947208	0.279781919	0.338067158	0.005034502	0.483891657	0.72210319	0.019675312	0.076480788	0.325352374	0.52841297	0.419330962	0.064921269	0.436845022	0.068228345	0.060250575	0.134506263	0	0.193268902	0.008372677	
dHex1Hex1HexNAc1	0.355384256	0.362039621	0.647771398	0.22185444	0.133134275	0.154576913	0.38171689	0.067918543	0.574077897	0.189557507	0.149077114	0.054846746	0.037063393	0.158715082	0.35875321	0.658065099	0.010624499	0.037218943	0.093180806	1.468606154	0.137357841	0.12195627	0.247721379	0.044082154	0.032119034	0.0282935	0.20580791	0.2027059	0.566291843	
dHex1Hex2HexNAc1	0.911426144	6.040334116	4.098020525	2.593586449	0.755349316	1.184443758	0.497958408	0.182401542	1.58413439	0.317517278	0.181906474	0.116546846	0.098562343	0.348429051	1.42381421	3.74122346	0.057769807	0.086791703	0.11274961	2.300445098	0.134060462	0.360830252	1.174932069	0.136174827	0.128752134	0.080056569	0.508217755	0.824567205	2.830998326	
dHex1Hex4HexNAc1	0.006844238	0.064773261	0.12041647	0.194644932	0	0	0	0.014162817	0	0.089771841	0.028297153	0.029586099	0.011611075	0.14229645	0.181675716	0.182908943	0.013850761	0.007264872	0	0	0	0.013984928	0.136562185	0.006200102	0	0.00919575	0.203871213	0.118578112	0.037092348	
dHex2Hex4HexNAc1	0.056041694	0.030112407	0.051796272	0.122685087	0.003738871	0	0.095511435	0.023195943	0	0.146428948	0.149996444	0.100185558	0.085577884	0.196148824	0.134772704	0.106148584	0.024271406	0.016537261	0.139816941	0	0.131114833	0.006038842	0.076399198	0.01511579	0	0.012187067	0.363127858	0.086707421	0.004571907	
dHex2Hex5HexNAc1	0.043350968	0.112841442	0.009882168	0.003940206	0.01606658	0.062362408	0.015352591	0.003518727	0.030608519	0	0.191267585	0.149734784	0.106586726	0.012848974	0.058856473	0.039614613	0	0.022159159	0.020346304	0.247169074	0.023922674	0.008644046	0.014561763	0.020388748	0.020469168	0.030724665	0.023654885	0.02407799	0.008696719	
dHex2Hex2HexNAc2	0.080476477	0.00552159	0.03539149	0	0	0.004926492	0.32228102	0.015036753	0.022850306	0	0.030485602	0.074111229	0.015700568	0	0.030723117	0.076567379	0	0.020902562	0.020088994	0.171877103	0.019333855	0.013574424	0.058502052	0.057181191	0.031598894	0.001372265	0	0.060452392	0.00276898	
dHex1Hex3HexNAc1	0.504032782	1.721561539	2.645375989	1.612972455	0.164549609	0.254067777	0.101326957	0.155597382	0.273643712	0.220463347	0.176557117	0.170901901	0.140505187	0.279121376	2.122999107	2.337324388	0.142785498	0.165320922	0.101536429	1.449187016	0.107071638	0.172039956	1.661024938	0.14069967	0	0.072485905	0.270014924	1.498723	1.57343827	
dHex1Hex1HexNAc1HexA1	0.010300973	0.026417325	0.031323244	0.062074042	0	0	0	0.001940908	0	0.089875676	0.083028627	0.014742311	0.004200791	0.021705043	0.087895219	0.021439119	0	0.002748446	0.087556809	0	0.057474538	0	0.044480444	0.005086289	0	0.006566584	0.09842717	0.042491938	0.1353835	
dHex1Hex2HexNAc1HexA1	0.138959554	0.347595762	0.292200859	0.323639339	0.0065004	0	0.174263457	0.080309083	0	0.810203416	0.78088099	0.420867534	0.473957264	0.348195539	0.911564857	0.291598375	0.101664069	0.14747681	1.148760739	0	0.660313573	0.019912491	0.624663017	0.084525511	0	0.106296783	0.604303476	0.814867259	0.23708497	
dHex1Hex3HexNAc1HexA1	0	0.005549141	0.048657139	0	0	0.007851887	0.059070205	0.001302169	0	0	0	0.001659707	0	0	0.010408045	0.026128151	0	0	0	0	0	0.005502165	0.00132847	0	0.096628073	0	0	0.005895762	0	
dHex1Hex2HexNAc2HexA1	0.201919679	0.062763743	0.078115724	0.223887769	0.001955987	0.013887848	0.097870067	0.015121043	0	0.095320464	0.070258743	0.057301943	0.038876716	0.105132607	0.047485097	0.07508805	0.007154243	0.014646991	0.211602106	0	0.197459849	0.005290821	0.19422313	0.004098983	0	0.028588102	0.199946159	0.202718537	0.212282803	
dHex1Hex3HexNAc2HexA1	0.518049408	0.138384077	0.092034709	0.278539912	0.032467036	0.061622018	0.190652184	0.018992956	0.072861749	0.242039462	0.133944208	0.06550603	0.073517722	0.214683538	0.149825933	0.12291789	0.086368654	0.021865522	0.214643351	0.337011997	0.238567416	0.036857652	0.228770975	0.025443727	0.01722819	0.058025204	0.35742783	0.302337024	0.351904217	
dHex2Hex1HexNAc2HexA1	0.326754706	0.307451096	0.423892797	0.41275218	0.027144004	0.036955614	0.353504004	0.058256562	0.02467678	0.540143125	0.297378299	0.191990739	0.195402018	0.302997941	0.402413246	0.397301625	0.026153197	0.036711217	0.462762169	0.166472852	0.439615781	0.03846111	0.451306774	0.050357	0	0.065474497	0.556293388	0.517052704	0.314427018	
dHex2Hex2HexNAc2HexA1	0.222064313	0.067540978	0.071860681	0.325477397	0.012365706	0.011407908	0.211220092	0.017582872	0	0.133747315	0.099701815	0.070284584	0.041977986	0.276911417	0.1326489	0.062523408	0.026300715	0.016958882	0.251104304	0	0.294708179	0.027944273	0.289801252	0.014306295	0	0.044321276	0.384880572	0.287527665	0.122440595	
dHex3Hex2HexNAc2HexA1	0.06489755	0.100520843	0.12047353	0.260320919	0.004966452	0.013864883	0.09224654	0.010207322	0	0.10892419	0.084990737	0.03854768	0.039746104	0.13410253	0.202132043	0.193706872	0.026671667	0.014733466	0.106411721	0	0.033857657	0.02210974	0.104023946	0.009594627	0	0.006828222	0.275513515	0.132350505	0.068764497	
dHex3Hex3HexNAc2HexA1	0.024789712	0.035008359	0.046865974	0.101894576	0.002369878	0	0	0.000589107	0	0.027919028	0	0	0	0.022106709	0.009104077	0.03421873	0.010656289	0.004963915	0	0	0	0	0.020956436	0	0.008265302	0.000885853	0.052775901	0.044071737	0.022641668	
dHex4Hex3HexNAc2HexA1	0	0.009398432	0.016265113	0.151027485	0.000831826	0	0	0.000679422	0	0.130756205	0.004576695	0.005057043	0	0.09625916	0.048818106	0.022238701	0.012312947	0.001099241	0	0	0	0	0.028430056	0	0	0.002529764	0.233672529	0.082559177	0.01474306	
dHex4Hex4HexNAc2HexA1	0.110113911	0.025527619	0.015647837	0.148495042	0.001855136	0	0.012982314	0.004203989	0	0.213821239	0.006925878	0.024448456	0.008921216	0.095115247	0.021258508	0.019276447	0.011399476	0.012671205	0.026691189	0	0.008390562	0	0.033202077	0	0	0.008494698	0.138363074	0.049769416	0.052188709	
dHex4Hex5HexNAc2HexA1	0.021958591	0.031993382	0	0.013382536	0.002188777	0	0	0	0	0.02613234	0.007618527	0	0	0.015614945	0.005675816	0	0	0	0	0	0	0	0.003836332	0	0	0	0.085188837	0.014655268	0	
dHex5Hex4HexNAc2HexA1	0.084875273	0.026750852	0.018101269	0.166856483	0.001983601	0	0.092822978	0.005553649	0	0.501526183	0.012532072	0.003125575	0.02024423	0.225224657	0.02107999	0.025037467	0.045998603	0.003209328	0.111124511	0	0.031372932	0.007258954	0.048749376	0.004208084	0	0.019881652	0.308380459	0.048717162	0.006691636	
dHex5Hex5HexNAc2HexA1	0.122935861	0.014957665	0	0.01391728	0.006581882	0	0	0	0	0.056307574	0	0	0	0.04884479	0.026469458	0.010093648	0	0	0	0	0	0	0.007330117	0	0	0	0.07318021	0.016507781	0	
Hex5HexNAc2	0.103833842	0.712594853	0.787959215	0.96982663	0.183665351	0.152241083	0.163211855	0.205306884	0.01453441	0.039278345	0.299868232	0.027520114	0.015643458	0.143582589	0.638730799	1.64326283	0.143561318	0.114981644	0.437578359	0.015991006	0.033297035	0.047218637	0.590910096	0.150321281	0.037951386	0.257379714	0.115916223	0.195929294	0.939268056	
Hex6HexNAc2	0.029411268	0.114041542	0.277185822	0.3126569	0.043205443	0.043840174	0.044029095	0.092932673	0.01525937	0.027695259	0.119188149	0.025990346	0.006384359	0.034020653	0.156359891	0.282407964	0.115807678	0.118287534	0.202218288	0.012245659	0.139534513	0.025597701	0.390129639	0.141459665	0.023027834	0.10236541	0.12177853	0.095957829	0.221945041	
Hex7HexNAc2	0.002724681	0.02307605	0.010081459	0.191508566	0.00703658	0.005466833	0.011821398	0.018694998	0.003026785	0.021980628	0.149052473	0.012187716	0.001205081	0.037276307	0.052612376	0.140085069	0.045543969	0.016362061	0.133376466	0.003226569	0.009890859	0.022887993	0.042239149	0.058044944	0.01400288	0.082697708	0.060175286	0.287911625	0.138505688	
Hex8HexNAc2	0.006520469	0.024328867	0.029580506	0.202013155	0.027068936	0.011669073	0.028997121	0.048469676	0	0	0.221967995	0.014831347	0.008553009	0.029226997	0.033247172	0	0.017690414	0.023457409	0.23936176	0.001878014	0.009135904	0.020297607	0.17726422	0.023865248	0.010340581	0.077580312	0.053260941	0.035579737	0.165269786	
Hex9HexNAc2	0	0.013415022	0.015517564	0.117003314	0.042345887	0	0	0	0	0	0.241549356	0	0	0.055984477	0	0	0	0	0.305016837	0	0	0.040549373	0	0	0	0.060327802	0.015260038	0.018226292	0.241732765	
Hex10HexNAc2	0	0	0	0.003872146	0.007244579	0	0	0	0	0	0.019230306	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.004870948	
Hex2HexNAc2	0	0.002667304	0	0.034580054	0	0	0	0	0	0	0.012185314	0	0	0	0.011826656	0	0	0	0.005821619	0	0	0	0	0	0	0.005560727	0	0	0.006733691	
Hex2dHex1HexNAc2	0	0.186717656	0.172553976	0.187961836	0.013759524	0	0	0	0	0	0.05726343	0	0	0.001701724	0.286997155	0.274954041	0	0.000460237	0.071688463	0	0.01715789	0	0.257847411	0.002983945	0	0.026448117	0.003794446	0.265971879	0.04076035	
Hex2dHex2HexNAc2	0.01076571	0.306748855	0.351681266	0.200023127	0.112200349	0.012270202	0.097388996	0.122747245	0.028318817	0.033147273	0.100301445	0.042573638	0.040293284	0.010537715	1.172479946	0.655215144	0.095985852	0.033442721	0.08151545	0.030387139	0.237270093	0.009533709	0.59540789	0.064119133	0.04878784	0.027362513	0.21560405	0.524706627	0.055228307	
Hex3HexNAc2	0.514075508	3.363359575	3.878627018	2.015133302	0.903042249	0.903841753	0.88729803	0.938587485	1.06776971	2.756739336	0.677602814	0.882132205	0.98557586	0.461180882	7.081587	13.65506808	1.231987537	1.333614125	0.7037648	0.886141849	0.777922304	1.023260916	3.213859111	1.044318007	0.775931909	0.731243473	0.951348087	3.258707041	2.357359832	
Hex3dHex1HexNAc2	0.19558747	1.588366883	1.432245772	1.962228432	0.551072298	0.342034768	0.424886227	0.243898901	0.029059076	0.068604081	0.487885042	0.052485606	0.028386063	0.210821153	2.303642308	2.378755958	0.195891391	0.157078299	0.738959085	0.04996971	0.152496956	0.130048631	2.697187818	0.193261094	0.016306156	0.429063348	0.338930321	1.359632535	1.141150106	
Hex3dHex2HexNAc2	0.021834037	0.386964568	0.38344082	0.382328586	0.155438681	0.09639408	0.153146874	0.043322096	0.011248895	0.039463899	0.193090816	0.016641721	0.002398022	0.080671547	0.15775776	0.298277105	0.044076247	0.036568188	0.152206282	0.002036782	0.02263491	0.032948461	0.055345579	0.023109943	0.002197123	0.186836031	0.013489073	0.080042382	0.059371737	
Hex4HexNAc2	0.081006185	1	1	1	0.260912652	0.173979625	0.226214431	0.131110778	0.005768686	0.036672349	0.245091511	0.044905697	0.018399777	0.108011671	1	1	0.149991643	0.089269479	0.22366901	0.011351019	0.042163922	0.027438539	1	0.108705666	0.013375694	0.252143139	0.091874607	1	0.550591512	
Hex4dHex1HexNAc2	0.12355708	1.132941571	1.258865208	1.099412006	0.230418788	0.389490701	0.355655363	0.16021932	0.015496605	0.045206343	0.239498988	0.004752294	0.01170715	0.131827167	0.415527193	0.657805025	0.236305462	0.11060042	0.201494644	0.09200007	0.359543652	0.053810516	1.508194476	0.107103468	0.01772878	0.322208968	0.581319176	0.610704476	0.487763026	
Hex4dHex2HexNAc2	0.025948488	0.332449172	0.462786681	0.831539535	0.059835462	0.108282882	0.100366767	0.140738885	0.017887043	0.02610198	0.165478166	0.054099484	0.023010161	0.099649372	1.116447037	0.58379412	0.255949679	0.155147419	0.129346582	0.025026121	0.099945281	0.128756718	0.725059121	0.159504478	0.038404144	0.333541995	0.065414184	0.546294354	0.299741311	
Hex5dHex1HexNAc2	0.011467177	0.033185928	0.029467741	0.075348418	0	0	0	0	0	0	0.01070041	0	0	0	0.013357094	0.636196653	0	0.001322929	0	0	0	0	0.054357401	0.078729351	0.006108337	0.012358659	0.028234812	0.060296136	0.041722741	
Hex5dHex2HexNAc2	0.003550352	0.053882761	0.069067713	0.26514275	0.012306907	0.005354473	0	0.02447742	0	0	0.032465655	0.012878384	0.005497594	0.01680906	0.132011151	0.482664063	0.05097092	0.010968492	0.007308683	0.001273984	0.012746086	0.015635946	0.260151718	0.090372033	0.008798981	0.038694289	0.022364935	0.33095365	0.1392989	
Hex3dHex3HexNAc2	0	0.043106111	0.004969061	0.059329243	0.00265116	0.007898355	0.002763221	0.074714072	0	0	0.030754575	0.003297957	0	0.008176837	0.089580987	0.030604829	0.048062198	0.032288731	0.015533131	0.008667234	0.003699654	0.014664145	0.008764621	0.004743213	0.001309566	0.029481928	0.007485899	0.076431009	0	
Hex4dHex3HexNAc2	0.000879457	0.032842736	0.047088554	0.179016748	0.003103821	0.022463911	0.012744083	0.043155185	0.008739258	0.00417158	0.096011964	0.028023573	0.005662432	0.036254354	0.201591563	0.211601072	0.050568394	0.054514901	0.049114932	0.018101662	0.040258803	0.081815033	0.354690774	0.047631685	0.030648631	0.069613893	0.008844023	0.309679595	0.048823473	
Hex4dHex4HexNAc2	0	0.00187876	0.016708311	0.023080873	0.00269635	0	0.014414772	0	0	0	0.015621068	0	0	0.004830644	0.018095162	0.019111155	0.004780088	0.007771291	0.006580131	0.003550436	0	0.015256024	0.053077914	0	0.003537747	0.007623971	0.006553493	0.09077102	0	
Hex5dHex3HexNAc2	0.005721433	0.034044764	0.087106071	0.202621059	0.013210034	0.025585856	0.011309936	0.00966358	0	0	0.061499127	0.004024606	0	0.016252684	0.026281995	0.078210301	0.015157549	0.010649793	0.041735732	0.003353394	0.026139696	0.012842929	0.111198723	0.022662604	0.002852328	0.078847505	0.008228023	0.040834052	0.093506046	
Hex5dHex4HexNAc2	0.009100184	0.01188174	0.023710747	0.180038229	0	0.016642723	0	0	0	0	0.053938012	0.003719363	0	0.039885242	0	0	0	0.010740582	0.034829317	0	0.000618972	0.005045593	0	0.018914816	0.00265042	0.038840905	0	0	0.002368539	
Hex6dHex1HexNAc2	0	0.001796316	0.002241389	0	0	0	0.002067906	0	0	0	0	0.001922153	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	
Hex6dHex3HexNAc2	0	0	0	0.00172477	0	0	0	0	0	0	0	0	0	0	0	0.091805545	0	0	0	0	0	0	0	0.008987583	0	0	0	0	0	
Hex6dHex4HexNAc2	0	0.01268541	0.006302611	0.014817209	0	0.00563046	0	0	0	0	0.010937972	0	0	0	0	0.014263876	0.00192605	0	0	0	0.00393279	0.003377296	0	0.005281641	0	0.01088643	0.006011454	0	0	
Hex7dHex1HexNAc2	0.000635517	0	0	0.001245048	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.003743477	0	0	0	0	0	0	0.005010243	0	0	0.003164024	
HexNAc1Hex3HexNAc2	0.064353827	0.33663715	0.338938389	0.34996293	0.138710574	0.134583436	0.125280206	0.149547067	0.01382944	0.038189405	0.139064199	0.031173316	0.02672106	0.034916049	0.658576886	0.688325388	0.187689874	0.122592687	0.165745117	0.012997103	0.141827641	0.003617712	0.652783701	0.107557143	0.02040313	0.137725377	0.19391784	0.304859271	0.221803151	
HexNAc1Hex3dHex1HexNAc2	0.044136128	0.213809883	0.300678651	0.089715771	0.131270821	0.10830727	0.130294193	0.25120158	0.086033993	0.146975571	0.019407068	0.069125642	0.055110129	0.00898506	0.267787538	0.731882183	0.002964439	0.198734424	0.017579839	0.095600168	0.383117924	0.087828064	0.370997778	0.014747748	0.022863052	0.00963767	0.292096047	0.189721814	0.372936717	
HexNAc2Hex3HexNAc2	0.033366062	0.329515314	0.388228806	0.036009246	0.028630248	0.010602183	0.023474044	0.0193801	0.001789243	0.00604071	0.015331583	0.003515647	0.001698223	0	0.088447248	0.290586595	0	0.054837333	0.038052595	0	0.045647491	0.014603071	0.187674535	0.109662329	0.006203627	0.014932865	0.0723176	0.189628852	0.017119024	
HexNAc2Hex3dHex1HexNAc2	0.001240798	0.057682116	0.057557323	0.013486813	0.005987539	0.007803389	0.02452244	0	0.002294457	0.004814437	0.008480017	0.001883931	0.000675755	0	0.02823069	0.026914789	0.00567593	0.007387432	0	0.00078119	0	0	0.004602165	0	0	0.002635661	0.01931782	0.033843212	0.005544086	
HexNAc3Hex3dHex1HexNAc2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.000196527	
HexNAc4Hex3HexNAc2	0	0.063053587	0.064133412	0.037952359	0	0	0	0	0	0	0.026339889	0.004695678	0	0.0098429	0.087114063	0.047791922	0	0.006004186	0.035241199	0	0	0	0.189130183	0	0	0.021604747	0	0.107949381	0.028448985	
HexNAc5Hex3HexNAc2	0.106714436	0.392117492	0.406879953	0.456640609	0.600203861	0.256396486	0.616023149	0.315217623	0.052646684	0.370565375	0.544053406	0.110645482	0.091337631	0.148581962	0.703068031	0.979500525	0.376242666	0.298950707	0.332549267	0.131094627	0.808168159	0.220312989	0.857438455	0.364330171	0.216284832	0.12137489	0.506527326	0.499449631	0.748212381	
HexNAc1Hex4dHex1HexNAc2	0	0.020989038	0.043454719	0	0	0	0	0.026060028	0.001485791	0.001218057	0	0	0.005762891	0	0.093464268	0	0	0	0	0	0	0	0.012120565	0	0	0	0	0	0.004220487	
HexNAc1Hex4dHex2HexNAc2	0.005952786	0.133654381	0.203446609	0.030216104	0.002498512	0.027318572	0.014248942	0.066667418	0.188326151	0.378564764	0.015522212	0.232073386	0.280302795	0.02003665	0.697097701	2.902077387	0	0.276881534	0.003775381	0.241026349	0.513868811	1.02079062	0.482494631	0.374101193	0.329633413	0.013592586	0.321894659	0.87328773	0.018558111	
HexNAc1Hex4HexNAc2	0.016808093	0.067172046	0.033217628	0	0.002628379	0	0.013493913	0.027908756	0.021657735	0.028825364	0.001356761	0.022054144	0.016484942	0	0.128085804	0.388065066	0	0.047668892	0	0.00189742	0.012796888	0.001393599	0.073837065	0	0.000680109	0	0.017690071	0	0.116457116	
HexNAc2Hex4HexNAc2	0.050442161	0.26885429	0.285707442	0.006492636	0.206883914	0.146020901	0.180559003	0	0	0	0.029052451	0	0	0	0	0	0	0	0	0	0	0	0.130445585	0	0	0.005078987	0.008225805	0.025466361	0.213486675	
HexNAc2Hex4dHex1HexNAc2	0.001174481	0.016812068	0.015858214	0	0.004032695	0.008645939	0.003908272	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.049817966	
HexNAc3Hex4dHex2HexNAc2	0	0.00789514	0	0.007100909	0.004947764	0.005001104	0	0	0	0	0	0	0	0	0.092714689	0.031931974	0.01640077	0.0127456	0.005445683	0	0.004408205	0.002273455	0.067562694	0.005994301	0	0	0.010513468	0.056019255	0	
HexNAc3Hex4HexNAc2	0.045781615	0.107087774	0.12871967	0	0.089465474	0.06644448	0.110022616	0.037075356	0.016712195	0.030071569	0.003007641	0.029613853	0.010192791	0.012578012	0.148464563	0.314191087	0.059409378	0.023068609	0.009003028	0.010947211	0.054394889	0.068437507	0.143086288	0.049233562	0.022344173	0.002120737	0.034594418	0.074711473	0.007465655	
HexNAc4Hex4dHex2HexNAc2	0	0	0	0	0	0	0	0	0	0	0	0	0	0.000241956	0	0	0.004327342	0	0	0	0	0	0	0	0	0	0	0	0	
HexNAc1Hex5HexNAc2	0.062281607	0.730918842	0.827329105	0.014214426	0.054540526	0.064954413	0.085806605	0	0.002394795	0	0	0.006742879	0	0	0.131754993	0	0	0	0	0.008925516	0.067400038	0	0.022163995	0.002437252	0.011137372	0	0.086452088	0.03940205	0.076028066	
HexNAc1Hex5dHex1HexNAc2	0.097847089	0.171551632	0.176071699	0.010487196	0.156156625	0.122441189	0.175687284	0.024048217	0.083815518	0.044575947	0.011162804	0.012452073	0.055979066	0.00849363	0.049460525	0.030741556	0.019867451	0.023091726	0.009843849	0.0010036	0.143149663	0.095923001	0.163367208	0.002020281	0.051719449	0.012983219	0.007070864	0.011866541	0.115119407	
HexNAc1Hex5dHex2HexNAc2	0	0.012561232	0.009124498	0	0.054544986	0.012887146	0.030288762	0	0	0	0	0	0	0	0	0	0.004507658	0	0	0	0	0	0	0	0	0	0	0	0.127342493	
HexNAc3Hex5HexNAc2	0.008250418	0	0.013683125	0.008451967	0.002661396	0.017278905	0	0	0.013100179	0.01447828	0.005995937	0.005104988	0.015893955	0.009924912	0.037297696	0.07511704	0	0.017556015	0	0.027659396	0.099265392	0.02101261	0.353432482	0.082612431	0.014119768	0.017046395	0.061608273	0.197809042	0	
HexNAc3Hex5dHex2HexNAc2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.006367367	0	0	0	0.01267847	0	0	0	0.183292008	0	
HexNAc1Hex6HexNAc2	0	0	0.00339926	0	0	0.002571984	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	
HexNAc1Hex6dHex1HexNAc2	0.127244712	0.280929808	0.295787244	0.020641222	0.267001108	0.234646939	0.3143663	0.265407455	0.103308534	0.217958202	0.047971424	0.050685996	0.097257885	0.035536355	0.388726987	0.295366657	0.132163863	0.128671949	0.005829206	0.112337966	0.140723567	0.302388828	0.857772083	0.038802301	0.064053821	0.015218848	0.054002737	0.417811328	0.222714336	
HexNAc1Hex7dHex1HexNAc2	0.003625492	0.003870622	0.005654379	0	0.026548741	0.014993123	0.012226372	0.076959444	0.011335193	0.026589459	0	0.004085343	0.005705185	0	0.00453244	0.114729848	0.05047865	0.028267062	0	0	0.004770225	0.012493933	0.015872816	0.043914107	0.002435481	0.002418965	0.005811596	0.07413245	0	
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name
Hex1HexNAc1
Hex2HexNAc1
Hex3HexNAc1
Hex4HexNAc1
Hex1HexNAc1HexA1
Hex2HexNAc1HexA1
Hex3HexNAc1HexA1
Hex4HexNAc1HexA1
dHex1Hex1HexNAc1
dHex1Hex2HexNAc1
dHex1Hex4HexNAc1
dHex2Hex4HexNAc1
dHex2Hex5HexNAc1
dHex2Hex2HexNAc2
dHex1Hex3HexNAc1
dHex1Hex1HexNAc1HexA1
dHex1Hex2HexNAc1HexA1
dHex1Hex3HexNAc1HexA1
dHex1Hex2HexNAc2HexA1
dHex1Hex3HexNAc2HexA1
dHex2Hex1HexNAc2HexA1
dHex2Hex2HexNAc2HexA1
dHex3Hex2HexNAc2HexA1
dHex3Hex3HexNAc2HexA1
dHex4Hex3HexNAc2HexA1
dHex4Hex4HexNAc2HexA1
dHex4Hex5HexNAc2HexA1
dHex5Hex4HexNAc2HexA1
dHex5Hex5HexNAc2HexA1
Hex5HexNAc2
Hex6HexNAc2
Hex7HexNAc2
Hex8HexNAc2
Hex9HexNAc2
Hex10HexNAc2
Hex2HexNAc2
Hex2dHex1HexNAc2
Hex2dHex2HexNAc2
Hex3HexNAc2
Hex3dHex1HexNAc2
Hex3dHex2HexNAc2
Hex4HexNAc2
Hex4dHex1HexNAc2
Hex4dHex2HexNAc2
Hex5dHex1HexNAc2
Hex5dHex2HexNAc2
Hex3dHex3HexNAc2
Hex4dHex3HexNAc2
Hex4dHex4HexNAc2
Hex5dHex3HexNAc2
Hex5dHex4HexNAc2
Hex6dHex1HexNAc2
Hex6dHex3HexNAc2
Hex6dHex4HexNAc2
Hex7dHex1HexNAc2
HexNAc1Hex3HexNAc2
HexNAc1Hex3dHex1HexNAc2
HexNAc2Hex3HexNAc2
HexNAc2Hex3dHex1HexNAc2
HexNAc3Hex3dHex1HexNAc2
HexNAc4Hex3HexNAc2
HexNAc5Hex3HexNAc2
HexNAc1Hex4dHex1HexNAc2
HexNAc1Hex4dHex2HexNAc2
HexNAc1Hex4HexNAc2
HexNAc2Hex4HexNAc2
HexNAc2Hex4dHex1HexNAc2
HexNAc3Hex4dHex2HexNAc2
HexNAc3Hex4HexNAc2
HexNAc4Hex4dHex2HexNAc2
HexNAc1Hex5HexNAc2
HexNAc1Hex5dHex1HexNAc2
HexNAc1Hex5dHex2HexNAc2
HexNAc3Hex5HexNAc2
HexNAc3Hex5dHex2HexNAc2
HexNAc1Hex6HexNAc2
HexNAc1Hex6dHex1HexNAc2
HexNAc1Hex7dHex1HexNAc2
METABOLITES_END
#END