#METABOLOMICS WORKBENCH TEXT OUTPUT STUDY_ID:	ANALYSIS_ID:	
VERSION             	1
CREATED_ON          	2017-07-14
#PROJECT
PR:PROJECT_TITLE    	Production of 2HG of human glioma cells
PR:PROJECT_TYPE     	MS analysis
PR:PROJECT_SUMMARY  	Evaluate the concentration of 2HG in human glioma cells harboring IDH1-R132H mutation
PR:INSTITUTE        	University of Michigan
PR:DEPARTMENT       	Neurosurgery
PR:LABORATORY       	Castro Lab
PR:LAST_NAME        	Castro
PR:FIRST_NAME       	Maria
PR:ADDRESS          	Ann Arbor, MI
PR:EMAIL            	mariacas@umich.edu
PR:PHONE            	734-764-0850
PR:FUNDING_SOURCE   	
PR:PROJECT_COMMENTS 	
PR:PUBLICATIONS     	
#STUDY
ST:STUDY_TITLE      	2HG concentration  in human IDH1m cells
ST:STUDY_TYPE       	MS analysis
ST:STUDY_SUMMARY    	SJGBM2 and MGG8 glioma cells were stable transfected with IDH1-R132H mutated. The expression of IDH1-R132H was confirmed by Western Blot assay. The aim of this project is analyze the production of 2HG in the stable transfected cells (SJGBM-IDH1m and MGG8-IDH1m) compared with the control group WT.
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:SUBMIT_DATE      	02/16/2017 03:42:30 PM
ST:NUM_GROUPS       	4
ST:TOTAL_SUBJECTS   	1
ST:STUDY_COMMENTS   	
#SUBJECT_SAMPLE_FACTORS:          	SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data
SUBJECT_SAMPLE_FACTORS            	SU0018091	S00028179	Cell line:SJGBM2 | IDH1-R132H EXPRESSION:YES | IDH1-R132H INHIBITOR:NO	
SUBJECT_SAMPLE_FACTORS            	SU0018091	S00028180	Cell line:SJGBM2 | IDH1-R132H EXPRESSION:YES | IDH1-R132H INHIBITOR:NO	
SUBJECT_SAMPLE_FACTORS            	SU0018091	S00028181	Cell line:SJGBM2 | IDH1-R132H EXPRESSION:YES | IDH1-R132H INHIBITOR:NO	
SUBJECT_SAMPLE_FACTORS            	SU0018091	S00028182	Cell line:SJGBM2 | IDH1-R132H EXPRESSION:NO | IDH1-R132H INHIBITOR:NO	
SUBJECT_SAMPLE_FACTORS            	SU0018091	S00028183	Cell line:SJGBM2 | IDH1-R132H EXPRESSION:NO | IDH1-R132H INHIBITOR:NO	
SUBJECT_SAMPLE_FACTORS            	SU0018091	S00028184	Cell line:SJGBM2 | IDH1-R132H EXPRESSION:NO | IDH1-R132H INHIBITOR:NO	
SUBJECT_SAMPLE_FACTORS            	SU0018091	S00028185	Cell line:MGG8 | IDH1-R132H EXPRESSION:YES | IDH1-R132H INHIBITOR:NO	
SUBJECT_SAMPLE_FACTORS            	SU0018091	S00028186	Cell line:MGG8 | IDH1-R132H EXPRESSION:YES | IDH1-R132H INHIBITOR:NO	
SUBJECT_SAMPLE_FACTORS            	SU0018091	S00028187	Cell line:MGG8 | IDH1-R132H EXPRESSION:YES | IDH1-R132H INHIBITOR:NO	
SUBJECT_SAMPLE_FACTORS            	SU0018091	S00028188	Cell line:MGG8 | IDH1-R132H EXPRESSION:NO | IDH1-R132H INHIBITOR:NO	
SUBJECT_SAMPLE_FACTORS            	SU0018091	S00028189	Cell line:MGG8 | IDH1-R132H EXPRESSION:NO | IDH1-R132H INHIBITOR:NO	
SUBJECT_SAMPLE_FACTORS            	SU0018091	S00028190	Cell line:MGG8 | IDH1-R132H EXPRESSION:NO | IDH1-R132H INHIBITOR:NO	
SUBJECT_SAMPLE_FACTORS            	SU0018091	S00028191	Cell line:SJGBM2 | IDH1-R132H EXPRESSION:YES | IDH1-R132H INHIBITOR:YES	
SUBJECT_SAMPLE_FACTORS            	SU0018091	S00028192	Cell line:SJGBM2 | IDH1-R132H EXPRESSION:YES | IDH1-R132H INHIBITOR:YES	
SUBJECT_SAMPLE_FACTORS            	SU0018091	S00028193	Cell line:SJGBM2 | IDH1-R132H EXPRESSION:YES | IDH1-R132H INHIBITOR:YES	
SUBJECT_SAMPLE_FACTORS            	SU0018091	S00028194	Cell line:SJGBM2 | IDH1-R132H EXPRESSION:NO | IDH1-R132H INHIBITOR:YES	
SUBJECT_SAMPLE_FACTORS            	SU0018091	S00028195	Cell line:SJGBM2 | IDH1-R132H EXPRESSION:NO | IDH1-R132H INHIBITOR:YES	
SUBJECT_SAMPLE_FACTORS            	SU0018091	S00028196	Cell line:SJGBM2 | IDH1-R132H EXPRESSION:NO | IDH1-R132H INHIBITOR:YES	
SUBJECT_SAMPLE_FACTORS            	SU0018091	S00028197	Cell line:MGG8 | IDH1-R132H EXPRESSION:YES | IDH1-R132H INHIBITOR:YES	
SUBJECT_SAMPLE_FACTORS            	SU0018091	S00028198	Cell line:MGG8 | IDH1-R132H EXPRESSION:YES | IDH1-R132H INHIBITOR:YES	
SUBJECT_SAMPLE_FACTORS            	SU0018091	S00028199	Cell line:MGG8 | IDH1-R132H EXPRESSION:YES | IDH1-R132H INHIBITOR:YES	
SUBJECT_SAMPLE_FACTORS            	SU0018091	S00028200	Cell line:MGG8 | IDH1-R132H EXPRESSION:NO | IDH1-R132H INHIBITOR:YES	
SUBJECT_SAMPLE_FACTORS            	SU0018091	S00028201	Cell line:MGG8 | IDH1-R132H EXPRESSION:NO | IDH1-R132H INHIBITOR:YES	
SUBJECT_SAMPLE_FACTORS            	SU0018091	S00028202	Cell line:MGG8 | IDH1-R132H EXPRESSION:NO | IDH1-R132H INHIBITOR:YES	
#SUBJECT
SU:SUBJECT_TYPE                   	HUMAN
SU:SUBJECT_SPECIES                	Homo sapiens
SU:TAXONOMY_ID                    	9606
#COLLECTION
CO:COLLECTION_SUMMARY             	-
#TREATMENT
TR:TREATMENT_SUMMARY              	-
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY             	-
SP:SAMPLEPREP_PROTOCOL_FILENAME   	A037-2HG cells updated-20160721.pdf
#CHROMATOGRAPHY
CH:CHROMATOGRAPHY_TYPE            	Amino, Aminopropyl HILIC
CH:INSTRUMENT_NAME                	6490A QQQ LC/MS (Agilent)
CH:COLUMN_NAME                    	Luna NH2, 100A, 3mkm, 150mm X 1mm (Phenomenex)
CH:METHODS_FILENAME               	GlyTCA-ESN-HILIC-6490
#ANALYSIS
AN:ANALYSIS_TYPE                  	MRM
AN:INSTRUMENT_NAME                	6490A QQQ LC/MS (Agilent)
AN:ANALYSIS_PROTOCOL_FILE         	A037-2HG cells updated-20160721.pdf
AN:ACQUISITION_PARAMETERS_FILE    	GlyTCA-ESN-HILIC-6490
AN:PROCESSING_PARAMETERS_FILE     	-
#MS
MS:INSTRUMENT_TYPE                	QQQ
MS:MS_TYPE                        	
MS:ION_MODE                       	NEGATIVE
#MS_METABOLITE_DATA
MS_METABOLITE_DATA:UNITS	uM/ng protein
MS_METABOLITE_DATA_START
Sample	S00028180	S00028181	S00028182	S00028183	S00028184	S00028185	S00028186	S00028187	S00028188	S00028189	S00028190	S00028191	S00028192	S00028193	S00028194	S00028195	S00028196	S00028197	S00028198	S00028199	S00028200	S00028201	S00028202
Factors	Cell line:SJGBM2 | IDH1-R132H EXPRESSION:YES | IDH1-R132H INHIBITOR:NO	Cell line:SJGBM2 | IDH1-R132H EXPRESSION:YES | IDH1-R132H INHIBITOR:NO	Cell line:SJGBM2 | IDH1-R132H EXPRESSION:NO | IDH1-R132H INHIBITOR:NO	Cell line:SJGBM2 | IDH1-R132H EXPRESSION:NO | IDH1-R132H INHIBITOR:NO	Cell line:SJGBM2 | IDH1-R132H EXPRESSION:NO | IDH1-R132H INHIBITOR:NO	Cell line:MGG8 | IDH1-R132H EXPRESSION:YES | IDH1-R132H INHIBITOR:NO	Cell line:MGG8 | IDH1-R132H EXPRESSION:YES | IDH1-R132H INHIBITOR:NO	Cell line:MGG8 | IDH1-R132H EXPRESSION:YES | IDH1-R132H INHIBITOR:NO	Cell line:MGG8 | IDH1-R132H EXPRESSION:NO | IDH1-R132H INHIBITOR:NO	Cell line:MGG8 | IDH1-R132H EXPRESSION:NO | IDH1-R132H INHIBITOR:NO	Cell line:MGG8 | IDH1-R132H EXPRESSION:NO | IDH1-R132H INHIBITOR:NO	Cell line:SJGBM2 | IDH1-R132H EXPRESSION:YES | IDH1-R132H INHIBITOR:YES	Cell line:SJGBM2 | IDH1-R132H EXPRESSION:YES | IDH1-R132H INHIBITOR:YES	Cell line:SJGBM2 | IDH1-R132H EXPRESSION:YES | IDH1-R132H INHIBITOR:YES	Cell line:SJGBM2 | IDH1-R132H EXPRESSION:NO | IDH1-R132H INHIBITOR:YES	Cell line:SJGBM2 | IDH1-R132H EXPRESSION:NO | IDH1-R132H INHIBITOR:YES	Cell line:SJGBM2 | IDH1-R132H EXPRESSION:NO | IDH1-R132H INHIBITOR:YES	Cell line:MGG8 | IDH1-R132H EXPRESSION:YES | IDH1-R132H INHIBITOR:YES	Cell line:MGG8 | IDH1-R132H EXPRESSION:YES | IDH1-R132H INHIBITOR:YES	Cell line:MGG8 | IDH1-R132H EXPRESSION:YES | IDH1-R132H INHIBITOR:YES	Cell line:MGG8 | IDH1-R132H EXPRESSION:NO | IDH1-R132H INHIBITOR:YES	Cell line:MGG8 | IDH1-R132H EXPRESSION:NO | IDH1-R132H INHIBITOR:YES	Cell line:MGG8 | IDH1-R132H EXPRESSION:NO | IDH1-R132H INHIBITOR:YES
PHOSPHOENOLPYRUVATE	.002184241	.002127698	.003912981	.004030857	.004436916	.002878786	.002701866	.010875481	.006363093	.003881201	.00420038	.002373805	.003800803	.008205529	.003632592	.005146746	.004076561	.002999798	.00334644	.01002693	.006771127	.005200982	.005158549
D-ERYTHROSE 4-PHOSPHATE	.024506887	.031132778	.015871772	.042507681	.247997278	.046555888	.034068483	.10449061	.338827779	.094806204	.118572791	.066618548	.135723508	.068906762	.051625584	.016453061	.024561088	.025374054	.021789978	.116046575	.301509704	.155615435	.035066596
BETA-NAD+	.006912704	.008885219	.003976831	.004471744	.015298886	.010861964	.012510826	.014539714	.022713866	.017824295	.014032856	.006619782	.014359127	.009883628	.008026494	.004645243	.003509133	.008582399	.00676272	.021166741	.05145469	.008935795	.010806213
COENZYME II	.001718057	.002075636	.002691367	.003208818	.005482202	.002671522	.002631432	.004797384	.003190413	.00227642	.004186864	.001660007	.00318701	.002760908	.003293727	.003427372	.003345613	.002303886	.002409192	.003136329	.003766319	.002790875	.00250457
SEDOHEPTULOSE 7-PHOSPHATE	.003581144	.005307682	.004259347	.001575714	.018836014	.006274314	.006931265	.01920555	.029957121	.019443791	.017841625	.006789657	.014633641	.015602061	.007045607	.004325065	.002284363	.005601169	.004472778	.016750204	.051214806	.016501812	.007897718
D-FRUCTOSE, 1,6-BIS(DIHYDROGEN PHOSPHATE)	.085346486	.160509338	.223774033	.042727015	.102861052	.260868137	.30998225	1.462170411	.085917295	.015717188	.10839342	.103550837	.314910106	.883254365	.089613802	.270325503	.012675922	.210394623	.296345968	.704930883	.128935041	.056521996	.196974508
NADP-REDUCED	.0022174	.002490756	.001655674		.003317499	.005958408	.009481561	.016788363	.021020389	.005918142	.01740285	.004335634	.008159012	.005895196	.00222395	.003177337		.007599133	.004013872	.027817081	.030130874	.00877214	.007972776
CITRIC ACID	.089641342	.112811444	.041292342	.034417806	.264802616	.052416577	.088170265	.151258165	.197987083	.05588393	.154906802	.10114361	.426258732	.112258588	.058593825	.034939164	.032672424	.030542718	.031884216	.271880354	.23355821	.11484086	.089893524
NADH	.02710842	.031698979	.022152639		.014280878	.028518948	.045280466	.068365582	.021980478	.014225016	.077186541	.012640455	.040317214	.118345646	.002732538	.023380027		.079443403	.018056011	.178520671	.096654571	.014170376	.079036915
FAD	.000581369	.000988904			.002238833	.000300101	.000449685	.001857206	.00131028	.000459878	.001483126	.00073812	.002469949	.001986996	.000158417			.000681328	.000160478	.0022077	.002869777	.000206064	.000708894
MALIC ACID	.055551466	.079283714	.03244172	.029391317	.173693852	.033094045	.048724747			.059337496	.045445071	.044278899			.067492719	.054038099	.025372335	.024847962	.02383828			.082100929	.052468304
ADENOSINE TRIPHOSPHATE	.092184584	.172430716	.033053876	.055597569	.064148866	.06688258	.055096148	.568427068	.289162158	.104758614	.160608515	.130432321	.27544781	.082836413	.147071509	.08196889	.033009017	.164985121	.118066446	.340715662	.304328219	.112885027	.212039327
ROBISON ESTER	.03586864	.045680866	.032665998	.066215184	.285744378	.066660391	.054051222	.12356342	.454695803	.124248961	.155852836	.094585441	.177146079	.08962289	.068173236	.039583827	.044264177	.03449332	.03789606	.156066347	.371040353	.219834751	.051639198
SUCROSE	.019375631	.030196905	.015586973	.011780964	.046804618	.012881137	.013730391	.066951387	.046575315	.030630887	.026304957	.018954682	.054723042	.044503019	.024728175	.018885998	.01331731	.015684452	.016329897	.056543899	.095614759	.025156316	.021349445
ADENOSINE 5'-DIPHOSPHATE	.019287772	.024479858	.020993889	.031628843	.074324251	.027458617	.022970402	.072716753	.116903148	.070044617	.069455169	.031676416	.053780799	.039612141	.047766915	.03183254	.025044634	.023486737	.02660536	.070006028	.1876745	.054393896	.031207709
ADENOSINE 5'-MONOPHOSPHATE	.0024968	.002386739	.011378281	.009998455	.053596303	.003616603	.002258099	.013747264	.023360132	.021155248	.033577754	.004210448	.004280064	.004320033	.01399986	.007890547	.013307315	.002435004	.004869214	.011254884	.048148533	.013492302	.003388451
GLYCERATE 3-PHOSPHATE	.0187226	.036608352	.055306581	.033547759	.068558105	.032570594	.028142682	.456341349	.042542982	.013799803	.051625606	.023470608	.065745017	.18551368	.03822664	.075526478	.016625085	.034036912	.031861041	.233287132	.041169124	.02963501	.061990327
RIBOSE PHOSPHATE	.01809282	.031975657	.054538937		.121682261	.038968008	.039010426	.141533124	.044210929	.030466046	.092497831	.015259453	.068586454	.120307526	.032932954	.040986215		.03045054	.026701024	.141672852	.081661167	.015197866	.046746133
6-PHOSPHOGLUCONIC ACID	.02280982	.019367058	.019082314	.017461807	.243157695	.022887545	.016992924	.066066355	.152953333	.06200618	.118776944	.053487966	.163476694	.033532501	.041752406	.016278624	.019945238	.011285422	.011152509	.06922256	.14672974	.083741284	.024865003
ACETOACETYL-COA	.001611038	.001858265	.003154196	.003756852	.003721412	.002700648	.002542942	.005030283	.003032651	.002484126	.003683032	.001801304	.002141063	.002337909	.003436379	.004213995	.004051829	.002052351	.002612468	.003572532	.003241658	.003035208	.00246179
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
PHOSPHOENOLPYRUVATE				1005				
D-ERYTHROSE 4-PHOSPHATE				122357				
BETA-NAD+				15938971				
COENZYME II				15938972				
SEDOHEPTULOSE 7-PHOSPHATE				165007				
D-FRUCTOSE, 1,6-BIS(DIHYDROGEN PHOSPHATE)				21125049				
NADP-REDUCED				22833512				
CITRIC ACID				311				
NADH				439153				
FAD				46906035				
MALIC ACID				525				
ADENOSINE TRIPHOSPHATE				5957				
ROBISON ESTER				5958				
SUCROSE				5988				
ADENOSINE 5'-DIPHOSPHATE				6022				
ADENOSINE 5'-MONOPHOSPHATE				6083				
GLYCERATE 3-PHOSPHATE				724				
RIBOSE PHOSPHATE				77982				
6-PHOSPHOGLUCONIC ACID				91493				
ACETOACETYL-COA				92153				
METABOLITES_END
