#METABOLOMICS WORKBENCH araskind_20150313_9077291_mwtab.txt DATATRACK_ID:219 STUDY_ID:ST000145 ANALYSIS_ID:AN000231 PROJECT_ID:PR000129
VERSION             	1
CREATED_ON          	01-15-2019
#PROJECT
PR:PROJECT_TITLE                 	Metabolic effects of Noxa
PR:PROJECT_SUMMARY               	labeled glutamine metabolomics on Noxa expressing cells
PR:INSTITUTE                     	University of Minnesota
PR:DEPARTMENT                    	Masonic Cancer Center
PR:LABORATORY                    	Kelekar Lab
PR:LAST_NAME                     	Kelekar
PR:FIRST_NAME                    	Ameeta
PR:ADDRESS                       	420 Delaware Street SE,Minneapolis, MN 55455
PR:EMAIL                         	ameeta@umn.edu
PR:PHONE                         	612-626-2358
PR:DOI                           	http://dx.doi.org/10.21228/M85C7W
#STUDY
ST:STUDY_TITLE                   	Primary T Cell Noxa Knockdown (Donor 8)
ST:STUDY_SUMMARY                 	Cells were deprived of glucose or glutamine for 1 h then resuspended in 10mM
ST:STUDY_SUMMARY                 	[13C1,2] D-glucose labeled or 4 mM [13C5]-U-glutamine labeled medium,
ST:STUDY_SUMMARY                 	respectively.  At this time cells were also activated with 5 ug/ml anti-CD3 and
ST:STUDY_SUMMARY                 	anti-CD28.  Cells were labeled (and activated) for 12 h when samples were spun
ST:STUDY_SUMMARY                 	down, and cells were resuspended in 200 ul ice cold methanol
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@umich.edu
ST:PHONE                         	-
#SUBJECT
SU:SUBJECT_TYPE                  	Human cells
SU:SUBJECT_SPECIES               	Homo sapiens
SU:TAXONOMY_ID                   	9606
SU:SPECIES_GROUP                 	Human
#SUBJECT_SAMPLE_FACTORS:         	SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data
SUBJECT_SAMPLE_FACTORS           	SU0005337	S00016916	Label:Glucose	
SUBJECT_SAMPLE_FACTORS           	SU0005338	S00016917	Label:Glucose	
SUBJECT_SAMPLE_FACTORS           	SU0005339	S00016918	Label:Glucose	
SUBJECT_SAMPLE_FACTORS           	SU0005340	S00016919	Label:Glucose	
SUBJECT_SAMPLE_FACTORS           	SU0005341	S00016920	Label:Glucose	
SUBJECT_SAMPLE_FACTORS           	SU0005342	S00016921	Label:Glucose	
SUBJECT_SAMPLE_FACTORS           	SU0005350	S00016929	Label:Glucose	
SUBJECT_SAMPLE_FACTORS           	SU0005343	S00016922	Label:Glutamine	
SUBJECT_SAMPLE_FACTORS           	SU0005344	S00016923	Label:Glutamine	
SUBJECT_SAMPLE_FACTORS           	SU0005345	S00016924	Label:Glutamine	
SUBJECT_SAMPLE_FACTORS           	SU0005346	S00016925	Label:Glutamine	
SUBJECT_SAMPLE_FACTORS           	SU0005347	S00016926	Label:Glutamine	
SUBJECT_SAMPLE_FACTORS           	SU0005348	S00016927	Label:Glutamine	
SUBJECT_SAMPLE_FACTORS           	SU0005349	S00016928	Label:Glutamine	
SUBJECT_SAMPLE_FACTORS           	SU0005351	S00016930	Label:Glutamine	
#COLLECTION
CO:SAMPLE_TYPE                   	Cells
CO:COLLECTION_SUMMARY            	-
#TREATMENT
TR:TREATMENT_SUMMARY             	-
#SAMPLEPREP
SP:SAMPLEPREP_PROTOCOL_FILENAME  	Fluxomics_analysis_protocol-2015-03-11.pdf
SP:SAMPLEPREP_SUMMARY            	-
#CHROMATOGRAPHY
CH:METHODS_ID                    	AQM011
CH:METHODS_FILENAME              	ALPHA_KETO_ACIDS-FULL.M.zip
CH:INSTRUMENT_NAME               	Agilent 7890A
CH:COLUMN_NAME                   	Agilent DB5-MS (30m × 0.25mm, 0.25um)
CH:CHROMATOGRAPHY_TYPE           	GC
#ANALYSIS
AN:LABORATORY_NAME               	MRC2 (University of Michigan)
AN:ANALYSIS_TYPE                 	MS
AN:ACQUISITION_PARAMETERS_FILE   	ALPHA_KETO_ACIDS-FULL.M.zip
#MS
MS:MS_COMMENTS                   	-
MS:INSTRUMENT_NAME               	Agilent 5975C
MS:INSTRUMENT_TYPE               	Single quadrupole
MS:MS_TYPE                       	EI
MS:ION_MODE                      	POSITIVE
#MS_METABOLITE_DATA
MS_METABOLITE_DATA:UNITS         	Area
MS_METABOLITE_DATA_START
Samples	S00016916	S00016917	S00016918	S00016919	S00016920	S00016921	S00016929	S00016922	S00016923	S00016924	S00016925	S00016926	S00016927	S00016928	S00016930
Factors	Label:Glucose	Label:Glucose	Label:Glucose	Label:Glucose	Label:Glucose	Label:Glucose	Label:Glucose	Label:Glutamine	Label:Glutamine	Label:Glutamine	Label:Glutamine	Label:Glutamine	Label:Glutamine	Label:Glutamine	Label:Glutamine	
Alanine_123	312.4652	720.6374	658.8131	325.6180	510.7635	534.4312	13772.1597	443.6435	441.5667	464.9851	1122.6961	443.7523	1029.1588	33213.5914	27756.3470
Alanine_123_13C_1											81.7748		3.7233		
Alanine_123_13C_2															
Alanine_123_13C_3															
alpha-Ketoglutarate_12345		95.5024	156.0406			202.2364				91.4566	383.0019	82.7759	464.6922		29737.0000
alpha-Ketoglutarate_12345_13C_1															487.2824
alpha-Ketoglutarate_12345_13C_2															424.6282
alpha-Ketoglutarate_12345_13C_3															557.9651
alpha-Ketoglutarate_12345_13C_4															11.7547
alpha-Ketoglutarate_12345_13C_5															
Aspartate_1234	6722.3213	9758.8441	7771.1939	6290.4812	9267.2775	12597.8580	41111.8328	10539.1161	12382.9408	13716.3502	17883.4780	11530.5200	21336.5167	119095.5915	119535.8358
Aspartate_1234_13C_1	1743.9237	1971.2457	1578.3705	1623.0831	1997.6264	3167.5053	688.7369	1167.0343	2108.0221	2654.3101	1808.8440	1563.9318	2916.9455	812.5435	
Aspartate_1234_13C_2	1333.3979	2796.2029	1527.5829	2014.0186	2096.8800	3318.1712		780.2813	1231.7749	1698.1135	1119.5881	860.6174	1736.6338		578.7110
Aspartate_1234_13C_3	849.2471	754.0698	901.2172	391.8141	900.0205	949.9900	72.3969	218.5714	246.9959	36.6149	445.4630	293.7591	476.4639	292.7271	
Aspartate_1234_13C_4		131.1579		147.7111	254.3778	50.1471	14.7682	1105.2017	1615.2195	1766.4612	2018.7663	1561.9543	2721.8785		85.0228
Fumarate_1234		76.8163	256.5548				343.7748		136.9857	176.0426	417.4511	126.0316	620.2727	334.3396	513.6032
Fumarate_1234_13C_1													2.6332		
Fumarate_1234_13C_2															
Fumarate_1234_13C_3															
Fumarate_1234_13C_4															
Glutamate_12345	27364.9492	36031.9342	28032.5843	28119.9813	35568.5221	46005.4272	39589.1642	36323.4875	46517.2929	55663.8790	62523.3884	45279.2787	82454.6182	84868.5872	100502.8320
Glutamate_12345_13C_1	5333.9072	8137.6733	6369.5614	5900.3602	7584.9487	9750.8975		5162.3983	7946.2853	8150.5550	9575.9782	7115.6639	12586.2552		695.7083
Glutamate_12345_13C_2	9963.7973	13199.9795	9849.9051	9876.2421	13518.0056	16771.4657	31.8326	3156.9053	3622.2195	3347.9946	4820.1790	3280.9879	6032.4176	614.7002	906.7987
Glutamate_12345_13C_3	2540.7297	3785.4349	3109.9785	3371.6198	3414.1798	3959.0429		4617.8050	6365.8605	8026.0168	10169.5501	5700.9258	11763.6729		
Glutamate_12345_13C_4	1450.3780	2508.2641	1028.3960	1282.6891	1598.7696	2172.0145	50.3376	453.9201	719.6930	886.4083	276.2998	907.7401	1101.5289		
Glutamate_12345_13C_5	144.4496		256.6563	263.7136	643.2610	531.7572		7612.9046	11076.4584	12592.7125	14959.9890	10353.5371	20127.4036		1720.8375
Glutamine_12345			151.2605				1295.8966							4990.5564	361.1535
Glutamine_12345_13C_1							364.4423								370.3888
Glutamine_12345_13C_2							28.5584								
Glutamine_12345_13C_3															
Glutamine_12345_13C_4															777.1473
Glutamine_12345_13C_5										197.4990			1243.7215		103627.5507
Lactate_123	12802.7475	17489.9806	14069.0129	14217.0928	22650.6776	19170.1826	8509.1519	17305.0667	19105.0253	19957.3626	25147.5809	18247.3289	34069.8767	15121.4566	15450.7375
Lactate_123_13C_1	61.7342	462.2065				11.1816		340.7906	20.6262		460.9155			253.9650	
Lactate_123_13C_2	1112.8625	2571.8366	1354.1657	1639.1558	1777.0577	2814.3934	16.4294	71.5480		157.4419	16.5850	85.9227	336.6913	21.2161	153.1613
Lactate_123_13C_3		25.4116	43.7023	318.2842	147.8890	217.9855		270.7860	231.3885	46.1506	536.0456		130.4211		
Oxaloacetate_1234	1.2207	1.5157	1.2797	1.1556	1.4000	1.8442	0.8297	1.6756	1.3150	1.1902	2.0329	1.0089	1.3758	3.2543	1.9498
Oxaloacetate_1234_13C_1															
Oxaloacetate_1234_13C_2															
Oxaloacetate_1234_13C_3															
Oxaloacetate_1234_13C_4															
Pyruvate_123		280.1965			131.9650		1689.3292		181.3412	253.5926	336.4505	172.5387	222.9281	3049.0735	1573.8894
Pyruvate_123_13C_1															
Pyruvate_123_13C_2					108.1473										
Pyruvate_123_13C_3
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name	pubchem_id	inchi_key	kegg_id	other_id	other_id_type	ri	ri_type	moverz_quant	
Alanine_123	5950		C00041	ALA_123	UM_Target_ID				
Alanine_123_13C_1	5950		C00041	ALA_123_13C_1	UM_Target_ID				
Alanine_123_13C_2	5950		C00041	ALA_123_13C_2	UM_Target_ID				
Alanine_123_13C_3	5950		C00041	ALA_123_13C_3	UM_Target_ID				
alpha-Ketoglutarate_12345	51		C00026	AKG_12345	UM_Target_ID				
alpha-Ketoglutarate_12345_13C_1	51		C00026	AKG_12345_13C_1	UM_Target_ID				
alpha-Ketoglutarate_12345_13C_2	51		C00026	AKG_12345_13C_2	UM_Target_ID				
alpha-Ketoglutarate_12345_13C_3	51		C00026	AKG_12345_13C_3	UM_Target_ID				
alpha-Ketoglutarate_12345_13C_4	51		C00026	AKG_12345_13C_4	UM_Target_ID				
alpha-Ketoglutarate_12345_13C_5	51		C00026	AKG_12345_13C_5	UM_Target_ID				
Aspartate_1234	5960		C00049	ASP_1234	UM_Target_ID				
Aspartate_1234_13C_1	5960		C00049	ASP_1234_13C_1	UM_Target_ID				
Aspartate_1234_13C_2	5960		C00049	ASP_1234_13C_2	UM_Target_ID				
Aspartate_1234_13C_3	5960		C00049	ASP_1234_13C_3	UM_Target_ID				
Aspartate_1234_13C_4	5960		C00049	ASP_1234_13C_4	UM_Target_ID				
Fumarate_1234	444972		C00122	FUM_1234	UM_Target_ID				
Fumarate_1234_13C_1	444972		C00122	FUM_1234_13C_1	UM_Target_ID				
Fumarate_1234_13C_2	444972		C00122	FUM_1234_13C_2	UM_Target_ID				
Fumarate_1234_13C_3	444972		C00122	FUM_1234_13C_3	UM_Target_ID				
Fumarate_1234_13C_4	444972		C00122	FUM_1234_13C_4	UM_Target_ID				
Glutamate_12345	33032			GLU_12345	UM_Target_ID				
Glutamate_12345_13C_1	33032			GLU_12345_13C_1	UM_Target_ID				
Glutamate_12345_13C_2	33032			GLU_12345_13C_2	UM_Target_ID				
Glutamate_12345_13C_3	33032			GLU_12345_13C_3	UM_Target_ID				
Glutamate_12345_13C_4	33032			GLU_12345_13C_4	UM_Target_ID				
Glutamate_12345_13C_5	33032			GLU_12345_13C_5	UM_Target_ID				
Glutamine_12345	5961		C00064	GLN_12345	UM_Target_ID				
Glutamine_12345_13C_1	5961		C00064	GLN_12345_13C_1	UM_Target_ID				
Glutamine_12345_13C_2	5961		C00064	GLN_12345_13C_2	UM_Target_ID				
Glutamine_12345_13C_3	5961		C00064	GLN_12345_13C_3	UM_Target_ID				
Glutamine_12345_13C_4	5961		C00064	GLN_12345_13C_4	UM_Target_ID				
Glutamine_12345_13C_5	5961		C00064	GLN_12345_13C_5	UM_Target_ID				
Lactate_123	107689		C00186	LAC_123	UM_Target_ID				
Lactate_123_13C_1	107689		C00186	LAC_123_13C_1	UM_Target_ID				
Lactate_123_13C_2	107689		C00186	LAC_123_13C_2	UM_Target_ID				
Lactate_123_13C_3	107689		C00186	LAC_123_13C_3	UM_Target_ID				
Oxaloacetate_1234	970		C00036	OAA_1234	UM_Target_ID				
Oxaloacetate_1234_13C_1	970		C00036	OAA_1234_13C_1	UM_Target_ID				
Oxaloacetate_1234_13C_2	970		C00036	OAA_1234_13C_2	UM_Target_ID				
Oxaloacetate_1234_13C_3	970		C00036	OAA_1234_13C_3	UM_Target_ID				
Oxaloacetate_1234_13C_4	970		C00036	OAA_1234_13C_4	UM_Target_ID				
Pyruvate_123	1060		C00022	PYR_123	UM_Target_ID				
Pyruvate_123_13C_1	1060		C00022	PYR_123_13C_1	UM_Target_ID				
Pyruvate_123_13C_2	1060		C00022	PYR_123_13C_2	UM_Target_ID				
Pyruvate_123_13C_3	1060		C00022	PYR_123_13C_3	UM_Target_ID				
METABOLITES_END
#END