#METABOLOMICS WORKBENCH huntermoseley_20141002_9593121_mwtab.txt DATATRACK_ID:169 STUDY_ID:ST000076 ANALYSIS_ID:AN000122 PROJECT_ID:PR000073
VERSION             	1
CREATED_ON          	2016-09-17
#PROJECT
PR:PROJECT_TITLE                 	CESB Lung Cancer Project
PR:PROJECT_TYPE                  	MS/NMR
PR:PROJECT_SUMMARY               	Influence of Microenvironmental Nutrient Availability on Systems Biochemistry
PR:PROJECT_SUMMARY               	Lung Cancer Cells and Immuomodulation. This cell-based project aims to gain a
PR:PROJECT_SUMMARY               	understanding of lung cancer metabolism and dysregulations as a function of key
PR:PROJECT_SUMMARY               	factors that govern lung cancer cell development and its ability to evade
PR:PROJECT_SUMMARY               	surveillance. The factors to be examined include the availability of key
PR:PROJECT_SUMMARY               	crucial to cancer proliferation, survival, metastasis, and immunoregulation.
PR:INSTITUTE                     	University of Kentucky
PR:DEPARTMENT                    	Toxicology
PR:LAST_NAME                     	Fan
PR:FIRST_NAME                    	Teresa
PR:ADDRESS                       	-
PR:EMAIL                         	twmfan@gmail.com
PR:PHONE                         	-
#STUDY
ST:STUDY_TITLE                   	A549 Cell Study
ST:STUDY_TYPE                    	tracer
ST:STUDY_SUMMARY                 	13C-Glu and 13C/15N-Gln SIRM study of A549 cells
ST:INSTITUTE                     	University of Kentucky
ST:DEPARTMENT                    	School of Medicine
ST:LAST_NAME                     	Yan
ST:FIRST_NAME                    	Jun
ST:ADDRESS                       	-
ST:EMAIL                         	jun.yan@louisville.edu
ST:PHONE                         	-
ST:NUM_GROUPS                    	3
ST:TOTAL_SUBJECTS                	6
#SUBJECT
SU:SUBJECT_TYPE                  	cell culture
SU:SUBJECT_SPECIES               	Homo sapiens
SU:TAXONOMY_ID                   	9606
SU:GENOTYPE_STRAIN               	A549
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           	13C/15N-Gln-plate-1	13C/15N-Gln-plate-1-cells	Labeling:13C/15N-Gln	dry_weight(g)=0.0012; polar extract wet_weight(g)=0.3749; cells wet_weight(g)=1.5829; protocol.BCA_protein(mg)=0.7276
SUBJECT_SAMPLE_FACTORS           	13C/15N-Gln-plate-2	13C/15N-Gln-plate-2-cells	Labeling:13C/15N-Gln	dry_weight(g)=0.0010; polar extract wet_weight(g)=0.4441; cells wet_weight(g)=1.7275; protocol.BCA_protein(mg)=0.7277
SUBJECT_SAMPLE_FACTORS           	13C-Glc-plate-1	13C-Glc-plate-1-cells	Labeling:13C-Glc	dry_weight(g)=0.0016; polar extract wet_weight(g)=0.3775; cells wet_weight(g)=1.7160; protocol.BCA_protein(mg)=0.6682
SUBJECT_SAMPLE_FACTORS           	13C-Glc-plate-2	13C-Glc-plate-2-cells	Labeling:13C-Glc	dry_weight(g)=0.0011; polar extract wet_weight(g)=0.3828; cells wet_weight(g)=1.7425; protocol.BCA_protein(mg)=0.7482
SUBJECT_SAMPLE_FACTORS           	unlabeled-plate-1	unlabeled-plate-1-cells	Labeling:unlabeled	dry_weight(g)=0.0015; polar extract wet_weight(g)=0.3794; cells wet_weight(g)=1.7205; protocol.BCA_protein(mg)=0.7713
SUBJECT_SAMPLE_FACTORS           	unlabeled-plate-2	unlabeled-plate-2-cells	Labeling:unlabeled	dry_weight(g)=0.0012; polar extract wet_weight(g)=0.4242; cells wet_weight(g)=1.7368; protocol.BCA_protein(mg)=0.6368
#COLLECTION
CO:COLLECTION_SUMMARY            	cell_quench_collection
CO:COLLECTION_PROTOCOL_FILENAME  	14Jun17_Fan_Quench_cell_tissue_SOP.pdf
CO:COLLECTION_PROTOCOL_COMMENTS  	Collection and quench of cells in tissue culture
#TREATMENT
TR:TREATMENT_SUMMARY             	13C-Glc|13C/15N-Gln|unlabeled
TR:TREATMENT_PROTOCOL_FILENAME   	14Jun17Fan_Cell_Tracer_Ex_SOP.pdf
TR:TREATMENT_PROTOCOL_COMMENTS   	Cell culture in 13C-Glc-labeled media | 13C/15N-Gln-labeled media | unlabeled
TR:TREATMENT_PROTOCOL_COMMENTS   	for 24h
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	protein_extraction|polar_preparation|polar_extraction
SP:SAMPLEPREP_PROTOCOL_FILENAME  	14June20Fan_Prot_Quant_SOP.pdf|14Jun30Fan_Prep_Polar_SOP.pdf|14Jun30Fan_Extract_Polar_Lipid_Prot_SOP.pdf
SP:SAMPLEPREP_PROTOCOL_COMMENTS  	Protein extraction and quantification|Preparation of polar samples for GCMS and
SP:SAMPLEPREP_PROTOCOL_COMMENTS  	extraction from cells.
#CHROMATOGRAPHY
CH:CHROMATOGRAPHY_TYPE           	GC
CH:INSTRUMENT_NAME               	-
CH:COLUMN_NAME                   	-
#ANALYSIS
AN:ANALYSIS_TYPE                 	MS
AN:LABORATORY_NAME               	RCSIRM
#MS
MS:INSTRUMENT_NAME               	Thermo ITQ
MS:INSTRUMENT_TYPE               	GC-ITQ
MS:MS_TYPE                       	EI
MS:ION_MODE                      	POSITIVE
MS:MS_COMMENTS                   	GCMS Analytical Experiment with detection of compounds by comparison to
MS:MS_COMMENTS                   	Derivatization is done with MTBSTFA
MS:MS_COMMENTS                   	GCMS
#MS_METABOLITE_DATA
MS_METABOLITE_DATA:UNITS         	Peak area
MS_METABOLITE_DATA_START
Samples	13C/15N-Gln-plate-1-cells	13C/15N-Gln-plate-2-cells	13C-Glc-plate-1-cells	13C-Glc-plate-2-cells	unlabeled-plate-1-cells	unlabeled-plate-2-cells
Factors	Labeling:13C/15N-Gln	Labeling:13C/15N-Gln	Labeling:13C-Glc	Labeling:13C-Glc	Labeling:unlabeled	Labeling:unlabeled
a-glycerol-3P_#1-13C0	5.6381	4.3162	3.6633	3.7374	5.6867	7.5690
a-glycerol-3P_#1-13C1				0.1086	0.2049	0.2605
a-glycerol-3P_#1-13C2			0.3555	0.2846	0.0150	0.0083
a-glycerol-3P_#1-13C3	0.0247	0.0115	2.8883	3.3588	0.0326	
a-glycerol-3P_#1-ALL	5.6628	4.3277	6.9072	7.4894	5.9391	7.8378
a-glycerol-3P_#2-13C0	3.3782	2.4874	1.7134	1.9287	3.3985	3.8928
a-glycerol-3P_#2-13C1	0.2194	0.3197	2.4065	2.1490		0.0780
a-glycerol-3P_#2-13C2			0.4810	0.4831		0.0030
a-glycerol-3P_#2-13C3	0.0184	0.0086	1.2775	1.5900	0.0155	
a-glycerol-3P_#2-ALL	3.6160	2.8157	5.8784	6.1508	3.4140	3.9738
a-ketoglutarate-13C0	0.0579	0.0319	0.3044	0.2826	0.2334	0.2226
a-ketoglutarate-13C1	0.0306	0.0284	0.0357	0.0370	0.0117	0.0351
a-ketoglutarate-13C2		0.0103	0.1087	0.1265	0.0378	
a-ketoglutarate-13C3		0.1917	0.0437	0.0197	0.0180	0.0039
a-ketoglutarate-13C4	0.0377					0.0988
a-ketoglutarate-13C5	0.2393	0.3473	0.0328	0.0611	0.0556	0.0282
a-ketoglutarate-ALL	0.3655	0.6096	0.5253	0.5269	0.3565	0.3886
Ala-13C0	7.5849	8.3345	4.9156	5.2923	20.3722	29.6703
Ala-13C1	9.2961	10.0470	0.8289	0.7141	0.3173	0.5538
Ala-13C2	0.3278	0.4155	1.3464	1.2811	0.0972	
Ala-13C3	0.3607	0.2873	18.8731	18.9995	0.0888	0.1684
Ala-13C4			3.5648	3.5510		
Ala-ALL	17.5695	19.0844	25.9640	26.2870	20.8754	30.3925
Arg-13C0	0.8422	1.2351	1.3437	1.1500	1.2783	1.5028
Arg-13C1	0.3625	0.2758	0.3844	0.3457	0.4406	0.5969
Arg-13C2	0.0891	0.2278		0.2098	0.1751	0.1535
Arg-13C3	0.2432	0.1241	0.1421	0.2278	0.0227	0.1028
Arg-13C4		0.0051	0.0626			
Arg-13C5	0.1620	0.0405	0.0419	0.1101	0.0861	0.0556
Arg-13C6	0.0910	0.0116	0.0061	0.0308		0.0126
Arg-ALL	1.7899	1.9201	1.9808	2.0741	2.0027	2.4242
ascorbate-13C0	0.0101	0.0096
ascorbate-13C1		
ascorbate-13C2	0.0101	0.0179
ascorbate-13C3	0.0084	0.0021
ascorbate-13C4	0.0058	0.0076
ascorbate-13C5		
ascorbate-13C6	0.0167	0.0151
ascorbate-ALL	0.0512	0.0524
Asn-13C0	0.5285	0.5881	2.5284	2.4317	2.7601	4.0296
Asn-13C1	0.1633	0.0779	0.1078	0.2998	0.1280	0.1751
Asn-13C2	0.2248	0.2524	0.4602	0.2999	0.0042	0.0330
Asn-13C3	0.1492	0.1931	0.2530	0.2401	0.0140	0.0051
Asn-13C4	0.2932	0.3109	0.0260	0.0486		0.0067
Asn-ALL	1.3591	1.4224	3.3754	3.3200	2.9064	4.2494
Asp-13C0	2.0616	2.2913	19.9970	19.2949	22.9800	30.8199
Asp-13C1	2.6364	2.7728	1.0171	1.1204	0.9795	0.9142
Asp-13C2	2.2423	1.9457	3.9829	4.1722	0.0225	0.0421
Asp-13C3	3.1378	3.0092	2.8509	2.3047	0.0485	0.1910
Asp-13C4	5.8824	5.4762	0.5131	0.5967	0.0248	
Asp-13C5	8.1074	8.3444				
Asp-ALL	24.0678	23.8396	28.3610	27.4888	24.0553	31.9672
bOHbutyrate-13C0	0.3131	0.4873	0.3366	0.3605	0.7232	0.6954
bOHbutyrate-13C1	0.6057	0.3123	0.3812	0.3316	0.1138	0.0522
bOHbutyrate-13C2	3.0677	2.4611	0.2243	0.3316	0.1274	0.4174
bOHbutyrate-13C3	0.3378	0.8505	0.0079		0.0455	
bOHbutyrate-13C4	0.5332	0.4929	0.1220	0.1241	0.1167	0.1096
bOHbutyrate-ALL	4.8575	4.6042	1.0720	1.1479	1.1266	1.2746
citrate-13C0	0.8345	0.7657	1.6486	1.5805	6.6970	8.9177
citrate-13C1	0.2935	0.2940	0.2891	0.3071	0.0425	0.0705
citrate-13C2	0.6555	0.6676	3.6223	3.8905	0.1101	0.0368
citrate-13C3	0.6231	0.5446	0.3519	0.3343	0.0374	0.0708
citrate-13C4	2.2160	2.0567	0.9389	0.8815		0.0131
citrate-13C5	0.4956	0.4300	0.4477	0.3876		
citrate-13C6	0.1037	0.0801	0.0216	0.2079		0.0063
citrate-ALL	5.2219	4.8389	7.3201	7.5894	6.8870	9.1151
Cys-13C0	45.9243	44.7853	78.4666	70.9076	37.3364	70.1489
Cys-13C1	1.2188	1.4609	2.5733	1.5832	1.0726	2.1076
Cys-13C2	2.3632	2.1528	2.9344	2.8834	1.9517	2.6274
Cys-13C3	0.1085	0.3383	0.7221	0.5185		0.5762
Cys-ALL	49.6148	48.7373	84.6964	75.8927	40.3607	75.4601
fumarate-13C0	2.4139	1.9950	3.6367	3.7938	4.1595	5.1996
fumarate-13C1	0.2922	0.1632	0.1992	0.2423	0.1879	0.2489
fumarate-13C2	0.3018	0.2813	0.3702	0.4119	0.0234	0.0944
fumarate-13C3	0.2311	0.2270	0.2022	0.2081	0.0325	
fumarate-13C4	1.0496	1.0151	0.0128	0.0443	0.0164	
fumarate-ALL	4.2886	3.6816	4.4211	4.7004	4.4196	5.5428
GAB-13C0	0.5254	0.5390	1.0360	1.1751	0.5033	1.1822
GAB-13C1	0.2748	0.1465	0.3649	0.2632	0.4574	0.4456
GAB-13C2	0.0865	0.2324	0.0990	0.1523	0.0329	0.1536
GAB-13C3	0.0207	0.0004	0.0596	0.0343	0.0024	0.0463
GAB-13C4	0.0403	0.0399	0.0289		0.0246	
GAB-ALL	0.9478	0.9583	1.5885	1.6250	1.0206	1.8277
Gln-13C0	3.8817	2.7040	270.9717	274.4389	207.7840	388.2641
Gln-13C1	0.2725	0.2220	14.1812	19.4396	10.8634	17.2442
Gln-13C2	0.6315	0.3378	2.3705	1.6306	2.1025	3.5340
Gln-13C3	0.2811	0.1257	0.8927		0.1819	1.1662
Gln-13C4	0.1531	0.0949	0.0026	0.1133		0.1249
Gln-13C5	0.4656	0.3651				
Gln-13C6	6.8758	1.7377				
Gln-13C7	165.7912	108.2994				
Gln-13C8						
Gln-ALL	178.3525	113.8867	288.4187	295.6223	220.9318	410.3333
Glu-13C0	9.7520	9.2816	204.5796	194.2643	203.1924	308.4526
Glu-13C1	12.7591	14.2977	11.5662	12.0450	12.6628	12.6423
Glu-13C2	6.0038	5.6995	51.1380	49.3737	0.8440	0.5778
Glu-13C3	16.0723	14.6385	9.2971	6.8631	0.9930	2.0766
Glu-13C4	21.2418	22.3504	9.5962	9.5021		0.0492
Glu-13C5	55.0882	55.1850	3.4521	2.9138		
Glu-13C6	99.5111	98.6269				
Glu-ALL	220.4284	220.0796	289.6292	274.9619	217.6922	323.7985
Gly-13C0	31.9839	33.1385	53.8221	50.3145	40.7234	61.9207
Gly-13C1	1.7221	2.1518	2.1777	1.0923	0.5589	1.4831
Gly-13C2	0.1850	0.4578	3.5880	2.8402	0.4914	0.1330
Gly-13C3						
Gly-ALL	33.8909	35.7480	59.5877	54.2470	41.7737	63.5368
His-13C0	9.2170	18.5303	57.4427	71.2428	14.6672	142.2010
His-13C1		1.7021	1.4262	7.9577	0.6876	17.4778
His-13C2	0.5313	0.7850	0.4382		3.3709	
His-13C3	5.4019	0.7160	6.1630	8.0261	1.2098	
His-13C4	1.0787	2.2165	13.0972	23.8246	2.9716	5.0679
His-13C5	0.5727	2.2915			5.8649	
His-13C6	1.2571					
His-ALL	18.0586	26.2413	78.5674	111.0513	28.7721	164.7466
Ile-13C0	14.5773	14.8020	26.0321	25.6002	20.7707	29.7590
Ile-13C1	4.5984	4.5285	1.5503	1.6615	1.0032	1.9208
Ile-13C2	0.3013	0.3821	0.0511	0.0825	0.2188	0.2147
Ile-13C3	0.0381	0.0957	0.0110	0.0575	0.0368	0.0101
Ile-13C4	0.0035			0.0017		0.0153
Ile-13C5	0.0219	0.0097	0.0156	0.0051	0.0091	0.0219
Ile-13C6	0.0413	0.0140	0.0060	0.0133	0.0048	0.0174
Ile-ALL	19.5819	19.8319	27.6661	27.4217	22.0435	31.9593
lactate-13C0	78.4028	76.2232	51.5609	41.2869	68.7335	104.6758
lactate-13C1	1.7946	0.7137	2.2187	2.9635	0.1958	1.5744
lactate-13C2	0.8057	0.6690	4.5766	5.4476	1.2781	1.1023
lactate-13C3	4.1800	3.5737	47.8403	59.6609	3.3329	4.2175
lactate-ALL	85.1831	81.1796	106.1965	109.3589	73.5403	111.5700
Leu-13C0	16.2708	16.4934	26.4824	25.4105	20.3341	30.9154
Leu-13C1	3.3325	3.6318	1.4726	1.6523	1.1647	1.6591
Leu-13C2	0.2188	0.2080		0.0326	0.0771	0.1343
Leu-13C3	0.0561	0.0835	0.0775	0.0508		0.0579
Leu-13C4			0.0110	0.0100	0.0086	
Leu-13C5	0.0060	0.0164	0.0076	0.0312	0.0199	0.0286
Leu-13C6	0.0042	0.0038	0.0319	0.0086	0.0037	0.0113
Leu-ALL	19.8883	20.4370	28.0830	27.1960	21.6081	32.8067
Lys-13C0	2.4095	5.7578	9.5377	10.4701	6.0219	10.4640
Lys-13C1	0.5645		0.4781			1.4452
Lys-13C2	0.3433	0.6053	0.6253	0.4173		
Lys-13C3	0.0269		0.0475	0.4515	0.9309	0.7094
Lys-13C4	0.0556	0.1517	0.0994	0.0178		0.1833
Lys-13C5	0.4770	0.2678	0.3095	0.0563	0.0688	
Lys-13C6	0.1023	0.1224		0.0874	0.0048	0.2360
Lys-ALL	3.9790	6.9051	11.0976	11.5003	7.0264	13.0380
Malate-13C0	1.8165	1.6793	9.1848	9.5466	11.8733	14.8289
Malate-13C1	0.6143	0.7025	0.4925	0.6970	0.3602	0.6300
Malate-13C2	1.3926	1.2664	2.2883	1.9549	0.1094	
Malate-13C3	1.2060	1.1062	1.1880	1.1666	0.0529	0.0558
Malate-13C4	5.3870	5.3281	0.1479	0.2528	0.0127	
Malate-ALL	10.4163	10.0826	13.3015	13.6178	12.4085	15.5147
Met-13C0	3.5032	2.9560	4.7477	4.8980	3.2451	4.8538
Met-13C1	0.3502	0.4726	0.5627	0.4774	0.5460	0.7998
Met-13C2	0.2711	0.3038	0.1711	0.2436	0.1115	0.2421
Met-13C3	0.1402	0.0900	0.2093	0.1856	0.0954	0.1818
Met-13C4	0.0548	0.0468	0.0872	0.0682	0.0442	0.0672
Met-13C5	3.4775	2.9355	4.7107	4.8660	3.2264	4.8217
Met-ALL	7.7970	6.8047	10.4887	10.7387	7.2686	10.9665
Norleu-ALL						
OHPro-13C0	0.2571	0.2099	0.3117	0.3615	0.3777	0.5220
OHPro-13C1	0.0410	0.0251	0.0283	0.0452	0.0176	0.0485
OHPro-13C2	0.0358	0.0728	0.0646	0.0255		
OHPro-13C3	0.0246	0.0308	0.0483	0.0267	0.0138	0.0114
OHPro-13C4	0.0283	0.0383	0.0375	0.0445	0.0020	0.0168
OHPro-13C5	0.0680	0.0721	0.0005		0.0067	
OHPro-ALL	0.4546	0.4490	0.4909	0.5035	0.4177	0.5987
Orn-13C0	0.8690	1.1585	2.3123	2.0274	1.4002	2.8664
Orn-13C1	0.8049	0.4429	0.2866	0.2919	0.4879	0.3941
Orn-13C2		0.1686		0.3697	0.1823	0.3046
Orn-13C3	0.3563	0.4464	0.2389	0.0556	0.0065	
Orn-13C4			0.1732	0.1725	0.0966	0.0488
Orn-13C5					0.0523	0.1370
Orn-ALL	2.0302	2.2164	3.0111	2.9171	2.2258	3.7509
Phe-13C0	10.7561	10.3950	15.6728	15.3449	12.5631	17.5605
Phe-13C1	1.3607	1.1140	1.3936	1.2411	1.0347	1.4616
Phe-13C2	0.0965	0.0812		0.1794	0.0045	0.1436
Phe-13C3	0.0537	0.0656	0.0471	0.0255	0.0813	0.1178
Phe-13C4	0.0170	0.0157	0.0770	0.0317	0.0340	0.0508
Phe-13C5	0.0624	0.0241	0.0073	0.1344	0.0587	0.1183
Phe-13C6	0.0806	0.1280		0.0527	0.1034	0.0824
Phe-13C7	0.0411	0.0637	0.0872	0.0969	0.0535	0.1199
Phe-13C8	0.0180	0.1086	0.0483	0.1492	0.0944	0.0022
Phe-13C9	0.0067	0.0908	0.0242		0.1670	0.3282
Phe-ALL	12.4928	12.0866	17.3575	17.2557	14.1946	19.9854
PO4-ALL						
Pro258-13C0	2.6359	2.9350	16.9484	16.4448	15.5870	23.2003
Pro258-13C1	0.8936	1.3817	0.9243	0.9831	0.5685	0.9147
Pro258-13C2	1.0873	1.1409	2.8328	2.8672	0.0694	0.0558
Pro258-13C3	1.1395	1.5704	0.8535	0.6750	0.0021	0.0378
Pro258-13C4	2.8236	3.1613	0.3802	0.3242	0.0147	0.0308
Pro258-13C5	5.3133	5.9836	0.8804	0.6855	0.0070	0.0382
Pro258-13C6	0.9852	1.0552			0.1312	0.1407
Pro258-13C7	0.3922	0.3658	0.2486	0.2012	0.1328	0.3191
Pro258-ALL	15.2705	17.5939	22.8196	21.9799	16.2489	24.2777
SeMet-ALL						
Ser-13C0	12.1091	12.6101	15.9760	16.4801	15.5225	21.9839
Ser-13C1	1.4829	1.5628	0.8641	0.4869	0.1976	0.3559
Ser-13C2	0.1757		0.2208	0.4036	0.1285	0.2060
Ser-13C3	0.0035	0.0622	2.2637	2.5419		
Ser-13C4			0.1623	0.2775		
Ser-ALL	13.7712	14.2350	19.3245	19.9124	15.8486	22.5457
Succinate-13C0	12.7507	6.2402	6.8750	6.0243	6.4413	12.6670
Succinate-13C1	0.6808	0.1848	0.4004	0.2108	0.2958	0.6618
Succinate-13C2	0.2041	0.1897	0.2521	0.2152	0.0505	0.0531
Succinate-13C3	0.0142	0.0775	0.0334	0.0232		0.0036
Succinate-13C4	0.4335	0.3871	0.0248	0.0460	0.0481	0.0599
Succinate-ALL	14.0833	7.0793	7.5858	6.5195	6.8357	13.4454
t-aconitate-13C0	0.0330	0.0402	0.0458	0.0522	0.1755	0.1830
t-aconitate-13C1	0.0170	0.0084	0.0086	0.0463	0.0096	0.0064
t-aconitate-13C2	0.0246	0.0219	0.1134	0.0783	0.0150	0.0314
t-aconitate-13C3	0.0178	0.0043	0.0029	0.0094		0.0182
t-aconitate-13C4	0.0425	0.0449	0.0340	0.0188	0.0139	0.0043
t-aconitate-13C5	0.0168	0.0123	0.0072	0.0252	0.0051	0.0034
t-aconitate-13C6	0.0029	0.0098				
t-aconitate-ALL	0.1546	0.1418	0.2117	0.2303	0.2192	0.2466
Thr-13C0	45.3949	43.9071	64.3528	60.8463	50.0838	69.5645
Thr-13C1	0.4215	1.2730	2.0078	2.1568	0.9663	0.9717
Thr-13C2	0.3379	0.1690	0.6701		0.0585	0.9372
Thr-13C3	0.3369	0.3738		0.3593	0.2608	0.0719
Thr-13C4						
Thr-ALL	46.4912	45.7229	67.0307	63.3625	51.3694	71.5453
Trp-13C0	0.9006	1.1208	2.7274	2.8808	1.4265	3.2066
Trp-13C1	0.1115	0.1524	0.3581	0.3949	0.2569	0.8368
Trp-13C10	0.1639	0.0635
Trp-13C11	0.0489	0.1009
Trp-13C2	0.0644	0.0212	0.1482	0.2792	0.0472	0.0846
Trp-13C3		0.0193				
Trp-13C4	0.0593	0.0774	0.0083		0.0463	0.0218
Trp-13C5	0.0289	0.0028	0.0683	0.1182	0.0579	0.1490
Trp-13C6	0.1123	0.0882	0.1606	0.1382	0.0113	0.0750
Trp-13C7	0.1571	0.1897	0.1060	0.1381	0.0657	0.0525
Trp-13C8	0.1459	0.1479	0.7230	0.6248	0.3910	0.3952
Trp-13C9	0.1396	0.1893	0.0713		0.1007	0.4095
Trp-ALL	1.9324	2.1734	4.8357	5.0565	2.5708	5.3430
Tyr-13C0	11.8095	12.2551	17.9607	18.2114	14.6033	22.9608
Tyr-13C1	1.2532	1.2702	1.4299	1.3766	1.1251	1.7546
Tyr-13C2	0.0886	0.0432	0.0554		0.0353	0.1106
Tyr-13C3	0.0195	0.0064	0.0273		0.0715	0.1130
Tyr-13C4		0.0469	0.0207	0.0432	0.0392	
Tyr-13C5	0.0335	0.0067	0.0014	0.0167		
Tyr-13C6					0.0041	0.0409
Tyr-13C7	0.0048	0.0037	0.0035	0.0024	0.0016	0.0004
Tyr-13C8	0.0000	0.0002	0.0001		0.0000	0.0001
Tyr-13C9	0.0001	0.0001	0.0001		0.0004	0.0003
Tyr-ALL	13.2093	13.6326	19.4992	19.6504	15.8807	24.9807
Val-13C0	19.2798	19.8457	27.0074	28.2670	23.0331	32.7801
Val-13C1	1.6877	1.3594	0.4239	0.1411		0.1423
Val-13C2	0.1222		0.9126	0.2404	0.2527	0.3670
Val-13C3	0.2602	0.6765		0.1656	0.1293	0.0771
Val-13C4			0.0559	0.0196		0.0319
Val-13C5	0.0435		0.0017	0.0055	0.0156	0.0079
Val-ALL	21.3934	21.8816	28.4014	28.8392	23.4307	33.4064
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
a-glycerol-3P_#1-13C0								U_Kentucky_isotope
a-glycerol-3P_#1-13C1								U_Kentucky_isotope
a-glycerol-3P_#1-13C2								U_Kentucky_isotope
a-glycerol-3P_#1-13C3								U_Kentucky_isotope
a-glycerol-3P_#1-ALL								U_Kentucky_isotope
a-glycerol-3P_#2-13C0								U_Kentucky_isotope
a-glycerol-3P_#2-13C1								U_Kentucky_isotope
a-glycerol-3P_#2-13C2								U_Kentucky_isotope
a-glycerol-3P_#2-13C3								U_Kentucky_isotope
a-glycerol-3P_#2-ALL								U_Kentucky_isotope
a-ketoglutarate-13C0								U_Kentucky_isotope
a-ketoglutarate-13C1								U_Kentucky_isotope
a-ketoglutarate-13C2								U_Kentucky_isotope
a-ketoglutarate-13C3								U_Kentucky_isotope
a-ketoglutarate-13C4								U_Kentucky_isotope
a-ketoglutarate-13C5								U_Kentucky_isotope
a-ketoglutarate-ALL								U_Kentucky_isotope
Ala-13C0								U_Kentucky_isotope
Ala-13C1								U_Kentucky_isotope
Ala-13C2								U_Kentucky_isotope
Ala-13C3								U_Kentucky_isotope
Ala-13C4								U_Kentucky_isotope
Ala-ALL								U_Kentucky_isotope
Arg-13C0								U_Kentucky_isotope
Arg-13C1								U_Kentucky_isotope
Arg-13C2								U_Kentucky_isotope
Arg-13C3								U_Kentucky_isotope
Arg-13C4								U_Kentucky_isotope
Arg-13C5								U_Kentucky_isotope
Arg-13C6								U_Kentucky_isotope
Arg-ALL								U_Kentucky_isotope
ascorbate-13C0								U_Kentucky_isotope
ascorbate-13C1								U_Kentucky_isotope
ascorbate-13C2								U_Kentucky_isotope
ascorbate-13C3								U_Kentucky_isotope
ascorbate-13C4								U_Kentucky_isotope
ascorbate-13C5								U_Kentucky_isotope
ascorbate-13C6								U_Kentucky_isotope
ascorbate-ALL								U_Kentucky_isotope
Asn-13C0								U_Kentucky_isotope
Asn-13C1								U_Kentucky_isotope
Asn-13C2								U_Kentucky_isotope
Asn-13C3								U_Kentucky_isotope
Asn-13C4								U_Kentucky_isotope
Asn-ALL								U_Kentucky_isotope
Asp-13C0								U_Kentucky_isotope
Asp-13C1								U_Kentucky_isotope
Asp-13C2								U_Kentucky_isotope
Asp-13C3								U_Kentucky_isotope
Asp-13C4								U_Kentucky_isotope
Asp-13C5								U_Kentucky_isotope
Asp-ALL								U_Kentucky_isotope
bOHbutyrate-13C0								U_Kentucky_isotope
bOHbutyrate-13C1								U_Kentucky_isotope
bOHbutyrate-13C2								U_Kentucky_isotope
bOHbutyrate-13C3								U_Kentucky_isotope
bOHbutyrate-13C4								U_Kentucky_isotope
bOHbutyrate-ALL								U_Kentucky_isotope
citrate-13C0								U_Kentucky_isotope
citrate-13C1								U_Kentucky_isotope
citrate-13C2								U_Kentucky_isotope
citrate-13C3								U_Kentucky_isotope
citrate-13C4								U_Kentucky_isotope
citrate-13C5								U_Kentucky_isotope
citrate-13C6								U_Kentucky_isotope
citrate-ALL								U_Kentucky_isotope
Cys-13C0								U_Kentucky_isotope
Cys-13C1								U_Kentucky_isotope
Cys-13C2								U_Kentucky_isotope
Cys-13C3								U_Kentucky_isotope
Cys-ALL								U_Kentucky_isotope
fumarate-13C0								U_Kentucky_isotope
fumarate-13C1								U_Kentucky_isotope
fumarate-13C2								U_Kentucky_isotope
fumarate-13C3								U_Kentucky_isotope
fumarate-13C4								U_Kentucky_isotope
fumarate-ALL								U_Kentucky_isotope
GAB-13C0								U_Kentucky_isotope
GAB-13C1								U_Kentucky_isotope
GAB-13C2								U_Kentucky_isotope
GAB-13C3								U_Kentucky_isotope
GAB-13C4								U_Kentucky_isotope
GAB-ALL								U_Kentucky_isotope
Gln-13C0								U_Kentucky_isotope
Gln-13C1								U_Kentucky_isotope
Gln-13C2								U_Kentucky_isotope
Gln-13C3								U_Kentucky_isotope
Gln-13C4								U_Kentucky_isotope
Gln-13C5								U_Kentucky_isotope
Gln-13C6								U_Kentucky_isotope
Gln-13C7								U_Kentucky_isotope
Gln-13C8								U_Kentucky_isotope
Gln-ALL								U_Kentucky_isotope
Glu-13C0								U_Kentucky_isotope
Glu-13C1								U_Kentucky_isotope
Glu-13C2								U_Kentucky_isotope
Glu-13C3								U_Kentucky_isotope
Glu-13C4								U_Kentucky_isotope
Glu-13C5								U_Kentucky_isotope
Glu-13C6								U_Kentucky_isotope
Glu-ALL								U_Kentucky_isotope
Gly-13C0								U_Kentucky_isotope
Gly-13C1								U_Kentucky_isotope
Gly-13C2								U_Kentucky_isotope
Gly-13C3								U_Kentucky_isotope
Gly-ALL								U_Kentucky_isotope
His-13C0								U_Kentucky_isotope
His-13C1								U_Kentucky_isotope
His-13C2								U_Kentucky_isotope
His-13C3								U_Kentucky_isotope
His-13C4								U_Kentucky_isotope
His-13C5								U_Kentucky_isotope
His-13C6								U_Kentucky_isotope
His-ALL								U_Kentucky_isotope
Ile-13C0								U_Kentucky_isotope
Ile-13C1								U_Kentucky_isotope
Ile-13C2								U_Kentucky_isotope
Ile-13C3								U_Kentucky_isotope
Ile-13C4								U_Kentucky_isotope
Ile-13C5								U_Kentucky_isotope
Ile-13C6								U_Kentucky_isotope
Ile-ALL								U_Kentucky_isotope
lactate-13C0								U_Kentucky_isotope
lactate-13C1								U_Kentucky_isotope
lactate-13C2								U_Kentucky_isotope
lactate-13C3								U_Kentucky_isotope
lactate-ALL								U_Kentucky_isotope
Leu-13C0								U_Kentucky_isotope
Leu-13C1								U_Kentucky_isotope
Leu-13C2								U_Kentucky_isotope
Leu-13C3								U_Kentucky_isotope
Leu-13C4								U_Kentucky_isotope
Leu-13C5								U_Kentucky_isotope
Leu-13C6								U_Kentucky_isotope
Leu-ALL								U_Kentucky_isotope
Lys-13C0								U_Kentucky_isotope
Lys-13C1								U_Kentucky_isotope
Lys-13C2								U_Kentucky_isotope
Lys-13C3								U_Kentucky_isotope
Lys-13C4								U_Kentucky_isotope
Lys-13C5								U_Kentucky_isotope
Lys-13C6								U_Kentucky_isotope
Lys-ALL								U_Kentucky_isotope
Malate-13C0								U_Kentucky_isotope
Malate-13C1								U_Kentucky_isotope
Malate-13C2								U_Kentucky_isotope
Malate-13C3								U_Kentucky_isotope
Malate-13C4								U_Kentucky_isotope
Malate-ALL								U_Kentucky_isotope
Met-13C0								U_Kentucky_isotope
Met-13C1								U_Kentucky_isotope
Met-13C2								U_Kentucky_isotope
Met-13C3								U_Kentucky_isotope
Met-13C4								U_Kentucky_isotope
Met-13C5								U_Kentucky_isotope
Met-ALL								U_Kentucky_isotope
Norleu-ALL								U_Kentucky_isotope
OHPro-13C0								U_Kentucky_isotope
OHPro-13C1								U_Kentucky_isotope
OHPro-13C2								U_Kentucky_isotope
OHPro-13C3								U_Kentucky_isotope
OHPro-13C4								U_Kentucky_isotope
OHPro-13C5								U_Kentucky_isotope
OHPro-ALL								U_Kentucky_isotope
Orn-13C0								U_Kentucky_isotope
Orn-13C1								U_Kentucky_isotope
Orn-13C2								U_Kentucky_isotope
Orn-13C3								U_Kentucky_isotope
Orn-13C4								U_Kentucky_isotope
Orn-13C5								U_Kentucky_isotope
Orn-ALL								U_Kentucky_isotope
Phe-13C0								U_Kentucky_isotope
Phe-13C1								U_Kentucky_isotope
Phe-13C2								U_Kentucky_isotope
Phe-13C3								U_Kentucky_isotope
Phe-13C4								U_Kentucky_isotope
Phe-13C5								U_Kentucky_isotope
Phe-13C6								U_Kentucky_isotope
Phe-13C7								U_Kentucky_isotope
Phe-13C8								U_Kentucky_isotope
Phe-13C9								U_Kentucky_isotope
Phe-ALL								U_Kentucky_isotope
PO4-ALL								U_Kentucky_isotope
Pro258-13C0								U_Kentucky_isotope
Pro258-13C1								U_Kentucky_isotope
Pro258-13C2								U_Kentucky_isotope
Pro258-13C3								U_Kentucky_isotope
Pro258-13C4								U_Kentucky_isotope
Pro258-13C5								U_Kentucky_isotope
Pro258-13C6								U_Kentucky_isotope
Pro258-13C7								U_Kentucky_isotope
Pro258-ALL								U_Kentucky_isotope
SeMet-ALL								U_Kentucky_isotope
Ser-13C0								U_Kentucky_isotope
Ser-13C1								U_Kentucky_isotope
Ser-13C2								U_Kentucky_isotope
Ser-13C3								U_Kentucky_isotope
Ser-13C4								U_Kentucky_isotope
Ser-ALL								U_Kentucky_isotope
Succinate-13C0								U_Kentucky_isotope
Succinate-13C1								U_Kentucky_isotope
Succinate-13C2								U_Kentucky_isotope
Succinate-13C3								U_Kentucky_isotope
Succinate-13C4								U_Kentucky_isotope
Succinate-ALL								U_Kentucky_isotope
t-aconitate-13C0								U_Kentucky_isotope
t-aconitate-13C1								U_Kentucky_isotope
t-aconitate-13C2								U_Kentucky_isotope
t-aconitate-13C3								U_Kentucky_isotope
t-aconitate-13C4								U_Kentucky_isotope
t-aconitate-13C5								U_Kentucky_isotope
t-aconitate-13C6								U_Kentucky_isotope
t-aconitate-ALL								U_Kentucky_isotope
Thr-13C0								U_Kentucky_isotope
Thr-13C1								U_Kentucky_isotope
Thr-13C2								U_Kentucky_isotope
Thr-13C3								U_Kentucky_isotope
Thr-13C4								U_Kentucky_isotope
Thr-ALL								U_Kentucky_isotope
Trp-13C0								U_Kentucky_isotope
Trp-13C1								U_Kentucky_isotope
Trp-13C10								U_Kentucky_isotope
Trp-13C11								U_Kentucky_isotope
Trp-13C2								U_Kentucky_isotope
Trp-13C3								U_Kentucky_isotope
Trp-13C4								U_Kentucky_isotope
Trp-13C5								U_Kentucky_isotope
Trp-13C6								U_Kentucky_isotope
Trp-13C7								U_Kentucky_isotope
Trp-13C8								U_Kentucky_isotope
Trp-13C9								U_Kentucky_isotope
Trp-ALL								U_Kentucky_isotope
Tyr-13C0								U_Kentucky_isotope
Tyr-13C1								U_Kentucky_isotope
Tyr-13C2								U_Kentucky_isotope
Tyr-13C3								U_Kentucky_isotope
Tyr-13C4								U_Kentucky_isotope
Tyr-13C5								U_Kentucky_isotope
Tyr-13C6								U_Kentucky_isotope
Tyr-13C7								U_Kentucky_isotope
Tyr-13C8								U_Kentucky_isotope
Tyr-13C9								U_Kentucky_isotope
Tyr-ALL								U_Kentucky_isotope
Val-13C0								U_Kentucky_isotope
Val-13C1								U_Kentucky_isotope
Val-13C2								U_Kentucky_isotope
Val-13C3								U_Kentucky_isotope
Val-13C4								U_Kentucky_isotope
Val-13C5								U_Kentucky_isotope
Val-ALL								U_Kentucky_isotope
METABOLITES_END
#END