#METABOLOMICS WORKBENCH araskind_20150313_9067591_mwtab.txt DATATRACK_ID:221 STUDY_ID:ST000147 ANALYSIS_ID:AN000234 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                   	13C targeted metabolomics
ST:STUDY_SUMMARY                 	Jurkat parental cells (JP6) or cells stably expressing the pCDNA Noxa vector
ST:STUDY_SUMMARY                 	(N5) cells were cultured to confluence and counted. 20E6 cells in triplicate
ST:STUDY_SUMMARY                 	were resuspended in glucose free or glutamine free medium for 2 hours. Cells
ST:STUDY_SUMMARY                 	were then pelleted and resuspended in 13C-1,2 Glucose (10mM) or 13C-U-glutamine
ST:STUDY_SUMMARY                 	(4mM) for 24 hours. Cells were pelleted and spent medium was collected. Cell
ST:STUDY_SUMMARY                 	pellets were washed 1X with ice cold PBS and cell pellets were resuspended in
ST:STUDY_SUMMARY                 	400ul -20 methanol. Cells and media were snap frozen in liquid nitrogen and
ST:STUDY_SUMMARY                 	stored at -80.
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           	SU0004256	S00015033	Treatment:13C glucose labeled | Cell type:Cloned Jurkat cell mid level Noxa | Harvest:cells	
SUBJECT_SAMPLE_FACTORS           	SU0004256	S00015034	Treatment:13C glucose labeled | Cell type:Cloned Jurkat cell mid level Noxa | Harvest:cells	
SUBJECT_SAMPLE_FACTORS           	SU0004256	S00015035	Treatment:13C glucose labeled | Cell type:Cloned Jurkat cell mid level Noxa | Harvest:cells	
SUBJECT_SAMPLE_FACTORS           	SU0004256	S00015045	Treatment:13C glucose labeled | Cell type:Cloned Jurkat cell mid level Noxa | Harvest:spent medium	
SUBJECT_SAMPLE_FACTORS           	SU0004256	S00015046	Treatment:13C glucose labeled | Cell type:Cloned Jurkat cell mid level Noxa | Harvest:spent medium	
SUBJECT_SAMPLE_FACTORS           	SU0004256	S00015047	Treatment:13C glucose labeled | Cell type:Cloned Jurkat cell mid level Noxa | Harvest:spent medium	
SUBJECT_SAMPLE_FACTORS           	SU0004257	S00015036	Treatment:13C glucose labeled | Cell type:Noxa overexpressed Jurkat cell | Harvest:cells	
SUBJECT_SAMPLE_FACTORS           	SU0004257	S00015037	Treatment:13C glucose labeled | Cell type:Noxa overexpressed Jurkat cell | Harvest:cells	
SUBJECT_SAMPLE_FACTORS           	SU0004257	S00015038	Treatment:13C glucose labeled | Cell type:Noxa overexpressed Jurkat cell | Harvest:cells	
SUBJECT_SAMPLE_FACTORS           	SU0004257	S00015048	Treatment:13C glucose labeled | Cell type:Noxa overexpressed Jurkat cell | Harvest:spent medium	
SUBJECT_SAMPLE_FACTORS           	SU0004257	S00015049	Treatment:13C glucose labeled | Cell type:Noxa overexpressed Jurkat cell | Harvest:spent medium	
SUBJECT_SAMPLE_FACTORS           	SU0004257	S00015050	Treatment:13C glucose labeled | Cell type:Noxa overexpressed Jurkat cell | Harvest:spent medium	
SUBJECT_SAMPLE_FACTORS           	SU0004256	S00015039	Treatment:13C glutamine labeled | Cell type:Cloned Jurkat cell mid level Noxa | Harvest:cells	
SUBJECT_SAMPLE_FACTORS           	SU0004256	S00015040	Treatment:13C glutamine labeled | Cell type:Cloned Jurkat cell mid level Noxa | Harvest:cells	
SUBJECT_SAMPLE_FACTORS           	SU0004256	S00015041	Treatment:13C glutamine labeled | Cell type:Cloned Jurkat cell mid level Noxa | Harvest:cells	
SUBJECT_SAMPLE_FACTORS           	SU0004256	S00015051	Treatment:13C glutamine labeled | Cell type:Cloned Jurkat cell mid level Noxa | Harvest:spent medium	
SUBJECT_SAMPLE_FACTORS           	SU0004256	S00015052	Treatment:13C glutamine labeled | Cell type:Cloned Jurkat cell mid level Noxa | Harvest:spent medium	
SUBJECT_SAMPLE_FACTORS           	SU0004256	S00015053	Treatment:13C glutamine labeled | Cell type:Cloned Jurkat cell mid level Noxa | Harvest:spent medium	
SUBJECT_SAMPLE_FACTORS           	SU0004257	S00015042	Treatment:13C glutamine labeled | Cell type:Noxa overexpressed Jurkat cell | Harvest:cells	
SUBJECT_SAMPLE_FACTORS           	SU0004257	S00015043	Treatment:13C glutamine labeled | Cell type:Noxa overexpressed Jurkat cell | Harvest:cells	
SUBJECT_SAMPLE_FACTORS           	SU0004257	S00015044	Treatment:13C glutamine labeled | Cell type:Noxa overexpressed Jurkat cell | Harvest:cells	
SUBJECT_SAMPLE_FACTORS           	SU0004257	S00015054	Treatment:13C glutamine labeled | Cell type:Noxa overexpressed Jurkat cell | Harvest:spent medium	
SUBJECT_SAMPLE_FACTORS           	SU0004257	S00015055	Treatment:13C glutamine labeled | Cell type:Noxa overexpressed Jurkat cell | Harvest:spent medium	
SUBJECT_SAMPLE_FACTORS           	SU0004257	S00015056	Treatment:13C glutamine labeled | Cell type:Noxa overexpressed Jurkat cell | Harvest:spent medium	
#COLLECTION
CO:SAMPLE_TYPE                   	Culture Media
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
AN:PROCESSING_PARAMETERS_FILE    	EX00313-MassHunterQuant-GCMS-DataAnalysis-Method.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	S00015033	S00015034	S00015035	S00015045	S00015046	S00015047	S00015036	S00015037	S00015038	S00015048	S00015049	S00015050	S00015039	S00015040	S00015041	S00015051	S00015052	S00015053	S00015042	S00015043	S00015044	S00015054	S00015055	S00015056
Factors	Treatment:13C glucose labeled | Cell type:Cloned Jurkat cell mid level Noxa | Harvest:cells	Treatment:13C glucose labeled | Cell type:Cloned Jurkat cell mid level Noxa | Harvest:cells	Treatment:13C glucose labeled | Cell type:Cloned Jurkat cell mid level Noxa | Harvest:cells	Treatment:13C glucose labeled | Cell type:Cloned Jurkat cell mid level Noxa | Harvest:spent medium	Treatment:13C glucose labeled | Cell type:Cloned Jurkat cell mid level Noxa | Harvest:spent medium	Treatment:13C glucose labeled | Cell type:Cloned Jurkat cell mid level Noxa | Harvest:spent medium	Treatment:13C glucose labeled | Cell type:Noxa overexpressed Jurkat cell | Harvest:cells	Treatment:13C glucose labeled | Cell type:Noxa overexpressed Jurkat cell | Harvest:cells	Treatment:13C glucose labeled | Cell type:Noxa overexpressed Jurkat cell | Harvest:cells	Treatment:13C glucose labeled | Cell type:Noxa overexpressed Jurkat cell | Harvest:spent medium	Treatment:13C glucose labeled | Cell type:Noxa overexpressed Jurkat cell | Harvest:spent medium	Treatment:13C glucose labeled | Cell type:Noxa overexpressed Jurkat cell | Harvest:spent medium	Treatment:13C glutamine labeled | Cell type:Cloned Jurkat cell mid level Noxa | Harvest:cells	Treatment:13C glutamine labeled | Cell type:Cloned Jurkat cell mid level Noxa | Harvest:cells	Treatment:13C glutamine labeled | Cell type:Cloned Jurkat cell mid level Noxa | Harvest:cells	Treatment:13C glutamine labeled | Cell type:Cloned Jurkat cell mid level Noxa | Harvest:spent medium	Treatment:13C glutamine labeled | Cell type:Cloned Jurkat cell mid level Noxa | Harvest:spent medium	Treatment:13C glutamine labeled | Cell type:Cloned Jurkat cell mid level Noxa | Harvest:spent medium	Treatment:13C glutamine labeled | Cell type:Noxa overexpressed Jurkat cell | Harvest:cells	Treatment:13C glutamine labeled | Cell type:Noxa overexpressed Jurkat cell | Harvest:cells	Treatment:13C glutamine labeled | Cell type:Noxa overexpressed Jurkat cell | Harvest:cells	Treatment:13C glutamine labeled | Cell type:Noxa overexpressed Jurkat cell | Harvest:spent medium	Treatment:13C glutamine labeled | Cell type:Noxa overexpressed Jurkat cell | Harvest:spent medium	Treatment:13C glutamine labeled | Cell type:Noxa overexpressed Jurkat cell | Harvest:spent medium	
Alanine_123	13946.4045	23836.1602	19401.0193	93935.7790	118672.6241	80916.0234	37336.8012	30533.1700	46066.4582	209599.2424	136501.5492	147521.0835	27409.8539	20544.8625	26981.3570	160171.2770	193673.8020	168165.3893	68820.4409	79710.9403	97365.3580	403529.8501	317167.1108	328882.9787
Alanine_123_13C_1	1187.3930	1102.7667	864.8146	2301.2232	2678.9725	1605.2771	1922.9983	1907.0482	1540.2306	6047.6456	4573.8030	5027.0806		610.7947	302.9425	212.1172	1301.0563	1757.7622	13.9795	451.8634		2047.4426		826.6287
Alanine_123_13C_2																								
Alanine_123_13C_3																								
alpha-Ketoglutarate_12345	1508.5727	3341.8994	3092.6324	4859.8714	5580.8056	4618.9651	4455.6802	3791.5567	5453.2199	7248.8943	5686.0196	6707.3299	1604.9805	1553.7467	1178.5823	8244.6220	6703.3730	6369.8232	1577.5312	1701.4975	2583.0035	10187.5418	7415.8697	7338.4206
alpha-Ketoglutarate_12345_13C_1	167.8245	330.7430	507.0839	16.9111	178.5766		137.4980	112.3004	337.5795				353.1180	443.8694	251.0503			529.2589	443.5990	591.3201	830.2040		559.6435	
alpha-Ketoglutarate_12345_13C_2	542.6538	1197.1422	821.7623	136.0254	116.2931	18.9503	1146.2661	773.2822	1000.5923	267.9292	116.9735	344.8866	413.5972	158.3065	322.0441	259.2203	163.6813	287.7309	366.6106	383.2836	531.8966		52.4851	82.1373
alpha-Ketoglutarate_12345_13C_3	58.8918	136.9976	274.4768		2.6201		217.1847	111.1855	284.1552	65.7375	5.0756		636.2558	668.1958	404.2645	182.9797	82.5358		973.2408	1062.4256	1717.4183	482.1048	305.6500	214.4576
alpha-Ketoglutarate_12345_13C_4		253.9079	166.2030				59.9371		115.4462				0.2333	169.6974					197.2101	18.1431	67.2132			22.5675
alpha-Ketoglutarate_12345_13C_5		40.9824	684.2794				90.3303						1452.1323	1240.2318	1189.6302	636.6531	560.8207	709.5522	3629.9375	3447.5548	5190.7595	2626.1111	2171.4536	1819.2565
Aspartate_1234	8865.6758	17713.1647	15187.1444	228923.9799	241469.3579	192907.7344	35829.4215	28380.8678	44245.2587	279318.6707	210554.8250	214249.6842	8432.3788	6075.6883	7016.5499	229075.8575	250862.3179	222672.9529	14739.0925	12915.1212	21159.4647	285058.4263	243023.6849	267847.1297
Aspartate_1234_13C_1	1265.5740	2646.5842	957.1736		673.4535		2141.6830	1602.2012	2587.3655	127.1043		1089.3883	1602.3666	1314.2888	1373.2348				3316.4609	2677.2777	3811.0582			1866.0427
Aspartate_1234_13C_2	2054.8915	3931.9448	3625.8779	823.0323			7291.1306	5618.8865	8531.1893	618.0064	3.0083	545.7553	2310.8761	1685.0775	1807.9870		310.0623		5619.6726	4548.5582	8530.6191			
Aspartate_1234_13C_3	789.7574	2021.3229	1656.9822	213.4386	233.5706		2107.1280	1504.5524	1938.7274	148.3430	290.7345	297.6075	1880.0903	1301.2636	1720.1441	239.3017	384.3082	31.7997	4567.1012	4929.1809	6610.0842	682.7321	886.4394	381.1378
Aspartate_1234_13C_4	275.1227	487.0237	58.2430		233.3778	237.6697	402.0836	324.5742	857.4418	280.3231			3250.5359	2407.0747	2737.7238	389.4073	421.0070	647.7201	11728.1134	10118.1487	16639.2782	1615.6758	1322.3323	1052.8799
Fumarate_1234	13336.8332	26035.5423	21488.7269	43473.3294	47854.0175	28257.2002	38187.7435	31249.8309	47330.1032	49154.4622	33004.4451	46732.6743	12167.9305	9052.9347	8817.4994	43007.9013	49554.2634	54533.3515	16735.0233	20364.6220	22603.7503	58132.4738	48246.3685	41996.3087
Fumarate_1234_13C_1	3140.3321	6917.2047	6488.2241	9027.8703	8603.7895	6160.4511	8435.0647	6332.5911	12936.2307	9422.3364	6570.4067	9313.7605	4167.0608	2433.1030	2662.7839	7170.8713	9011.3688	9369.1861	4711.5371	5976.7164	6305.2392	8505.9599	8816.0708	6966.3537
Fumarate_1234_13C_2	2802.4207	6337.2229	4889.2164				5610.5029	4319.4776	7541.6813				4501.9253	3245.8191	2850.9697				7929.7300	10029.5904	10633.1164			
Fumarate_1234_13C_3	1120.3954	2630.2890	2230.8696	194.9683		1.4131	2382.8681	1496.5500	2735.6154				2664.0990	1592.5672	1707.8527			47.1879	4738.0664	5403.7544	6692.2041	561.7848	376.5796	780.4446
Fumarate_1234_13C_4	267.7026	343.5856	599.4219	625.7820	888.4741	310.0452	501.8303	576.5415	535.6923	196.9056	717.1528		7701.2364	5785.9642	5552.9044	3049.4536	4982.6659	5441.3288	22794.6148	27614.7377	29892.4570	15271.9250	12819.6657	11656.0461
Glutamate_12345	246489.1264	447738.1694	374228.1456	244459.9038	316715.0342	175282.9126	453113.8202	370868.6041	543585.5358	319366.7621	274229.9878	260733.8677	136921.6087	113739.6051	122755.6696	210737.7018	256430.4515	207180.1401	95322.7049	109504.9377	163976.8153	244964.5565	213491.3199	215117.8433
Glutamate_12345_13C_1	30366.7754	51708.4397	45875.9433	829.3287	3067.3352	1427.5010	24353.1022	19188.6863	31408.8286	2393.3134	238.3126	1225.4142	43535.1924	33352.8449	39161.9534	3180.8451	4255.0380	812.9258	24080.5543	29246.8095	43949.9078	1414.7946	2366.3220	2311.3463
Glutamate_12345_13C_2	95553.6890	176756.0181	147583.0818	9566.2964	8436.1217	6851.7676	109664.4691	90202.2317	130123.4194	10909.5250	7499.4586	8812.4058	38022.9718	31721.8357	33986.3172	5121.0052	4997.6892	6579.6388	29611.0587	32173.5676	50404.2214	7762.0031	4624.9868	6445.7023
Glutamate_12345_13C_3	25626.8135	46615.6605	37697.8997	1529.5847	2516.2890	46.9756	17654.0107	14213.3392	20765.2267	438.0876	1429.4366	299.9402	75172.9856	62753.3089	68589.5725	9548.8687	10203.9516	8434.0275	70305.4866	79901.5791	121863.5501	15768.6351	16138.2240	14608.7963
Glutamate_12345_13C_4	18630.2254	34213.8538	28574.6164	1127.7890	1875.2843	1175.1829	16455.7402	13518.2326	19147.6358	1325.1717	920.0002	902.6857	10326.7317	7435.3625	9026.3695	2249.6554	3536.1232	1966.8780	11905.0724	11558.1065	18264.1686	5453.3442	4087.5067	4771.9165
Glutamate_12345_13C_5	4546.5052	8101.1072	7068.1055	768.8016	68.2109	284.3126	2680.7288	1818.0909	3062.9588	188.9500	69.3817	241.0291	164746.0745	136332.5389	147746.8291	35169.0583	43711.1547	34343.4403	214787.1253	244589.5404	379396.7731	108397.9149	94321.1923	94499.7841
Glutamine_12345	114126.0438	185008.2466	162519.1118	639346.7193	809099.7158	348246.0067	141275.6844	131914.3357	145348.1160	529971.3499	413222.5527	588356.1418	1922.6820	2059.6107	2754.3016	8239.8288	8894.7434	9255.9415	2327.8929	3060.7149	3575.2938	8073.5460	5995.8298	4057.9931
Glutamine_12345_13C_1	557.1677	1294.9063	1535.4814		1977.6522		1529.4552	1526.6239	2460.9629	4597.8716			582.3357	153.6640	214.1047	2554.3549	1011.5151	189.7123	175.1357	131.4019		410.8362	468.3568	588.1075
Glutamine_12345_13C_2	464.1451	1158.1542	865.9297	1156.3226	2641.0883		50.8426	873.5271		1858.2734	1427.2625	3470.4219	175.2365	274.2351	372.8306	1802.3318	1467.2114	630.3654	117.6247	442.8605	306.4896	854.5984	652.6394	184.2092
Glutamine_12345_13C_3	31.5859	85.1333	152.7619	561.4038	282.3390	59.4555	51.9662	62.2817		64.2597			4178.0397	4143.8223	4938.7258	35510.3660	32540.7291	26678.3717	5258.1927	6535.1802	8280.2297	37891.9022	25778.9866	19836.5459
Glutamine_12345_13C_4	279.4287	395.8159	409.3843	43.1731	580.0975	1283.1838	148.0870		574.3745		108.4205		867.0167	766.8016	885.1215	4544.1689	4559.4715	3817.6228	839.9123	1148.8468	1142.4230	4010.5110	2736.7760	2190.9187
Glutamine_12345_13C_5	12.7842	128.9776		341.8143		134.5207			47.2168	46.7542		82.3288	96961.5622	90203.9701	108599.2483	853167.6794	761931.1655	619301.6836	120278.2706	162582.6506	184897.6799	841990.5200	601974.8192	448494.2167
Lactate_123	725219.4381	1125457.1810	887330.1256	3530902.0450	3958196.8800	3400691.0200	781706.3665	841993.5302	1084129.0190	4463867.3890	3104040.3510	3695792.3520	1849037.8530	1123160.3170	1368668.2940	7518654.8120	8761044.8650	8972091.7820	1404051.3560	1632725.3810	1955677.7430	8867016.9270	7022522.3950	7236436.5580
Lactate_123_13C_1	28989.4119	53759.6992	37820.7590	168401.2944	198383.6980	160784.0351	37478.0835	37591.0980	52543.4327	224079.4054	145514.3387	180609.5041	17439.4879	4754.5633	8045.7973	103699.0746	156422.7712	154094.5918	8853.3145	8825.6492	10312.2579	166930.6224	105082.8853	118433.2398
Lactate_123_13C_2	642759.9466	1000751.3140	790280.8838	3167714.8840	3542252.6000	3021527.9850	675942.1074	723548.3205	927887.2457	3821619.2120	2658738.5110	3180095.1500	8391.4933	5128.2779	6082.1895	49254.3603	62252.0645	65328.6485	10390.5767	12441.3835	14026.8890	83727.9199	64967.4942	67078.5756
Lactate_123_13C_3	5578.4351	8406.3631	10058.4983	40940.9322	50728.8402	40631.3294	8184.1334	9971.5997	14634.9772	59296.7378	39022.6138	44984.5800	16654.1072	9789.0399	12200.7587	69727.0041	80607.4835	80137.4734	27574.6681	30024.8161	38736.8896	189321.4044	149098.1265	148200.9497
Oxaloacetate_1234	2349.7664	3734.0129	3675.7301				3350.2378	1626.6849																
Oxaloacetate_1234_13C_1								8.5507																
Oxaloacetate_1234_13C_2		47.1355					33.2939																	
Oxaloacetate_1234_13C_3																								
Oxaloacetate_1234_13C_4																								
Pyruvate_123	3731.2106	8283.3021	5322.2136	24476.9755	43515.3062	28621.6516	8686.8653	9246.8136	13700.2271	129746.3356	81380.3214	143748.1353	12015.6419	7107.3001	8776.0884	79441.4531	75621.2595	85330.0551	18075.4108	19228.1593	23930.8681	336230.4273	297917.9943	213369.3199
Pyruvate_123_13C_1	182.5224	320.2651	65.4932	1462.0779	2055.4473	1859.7561	458.6734	516.9776	713.8376	5184.2214	3241.9108	6107.8836	294.6852	183.8513	118.3093	934.8745	809.3345	1115.3012		233.5793	289.0531	1252.8495	2409.1501	1320.6166
Pyruvate_123_13C_2	2912.5800	6943.1454	3916.3589	18899.0763	30695.2221	18365.2875	7837.8984	7803.0428	10861.4319	104024.8914	66340.6579	117924.1762	334.9233	33.4237	277.2314	504.4932	747.6122	590.0706	451.3456	363.9825	843.9647	2649.1839	2900.9303	2022.9872
Pyruvate_123_13C_3	2.8352	38.6704	73.7118	91.2297	131.9578	201.2126	104.6286	19.3775	35.5049	1205.1657	886.4305	1172.3386	136.7999	1.9437	70.4009	653.8702	854.0217	807.1240	309.7415	453.2105	484.0140	6487.4529	5768.4310	4470.8118
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