#METABOLOMICS WORKBENCH huntermoseley_20141008_9835911_mwtab.txt DATATRACK_ID:174 STUDY_ID:ST000113 ANALYSIS_ID:AN000191 PROJECT_ID:PR000102
VERSION             	1
CREATED_ON          	2016-09-17
#PROJECT
PR:PROJECT_TITLE                 	SIRM Analysis of human P493
PR:PROJECT_SUMMARY               	SIRM Analysis of human MYC-inducible P493 cells
PR:INSTITUTE                     	Johns Hopkins University
PR:DEPARTMENT                    	Pathology
PR:LAST_NAME                     	Dang
PR:FIRST_NAME                    	Chi
PR:ADDRESS                       	-
PR:EMAIL                         	cvdang@jhmi.edu
PR:PHONE                         	-
#STUDY
ST:STUDY_TITLE                   	SIRM Analysis of human P493 cells under hypoxia in [U-13C/15N] labeled
ST:STUDY_TITLE                   	medium (Positive ion mode FTMS)
ST:STUDY_TYPE                    	tracer
ST:STUDY_SUMMARY                 	SIRM Analysis of MYC inducible P493 cells under normoxia and hypoxia in
ST:STUDY_SUMMARY                 	labeled Glutamine medium
ST:INSTITUTE                     	University of Kentucky
ST:DEPARTMENT                    	Toxicology
ST:LAST_NAME                     	Fan
ST:FIRST_NAME                    	Teresa
ST:ADDRESS                       	-
ST:EMAIL                         	twmfan@gmail.com
ST:PHONE                         	-
ST:NUM_GROUPS                    	4
ST:TOTAL_SUBJECTS                	8
ST:STUDY_COMMENTS                	For protocols and additional information, see Le, A., Lane, A.N., Hamaker, M.,
ST:STUDY_COMMENTS                	S., Barbi, J., Tsukamoto, T., Rojas, C.J., Slusher, B.S., Zhang, H., Zimmerman.
ST:STUDY_COMMENTS                	Liebler, D.C., Slebos, R.J.C., Lorkiewicz, P.K., Higashi, R.M., Fan, T.W-M.,
ST:STUDY_COMMENTS                	Dang, C.V. Cell Metabolism 15, 110 (2012). 13C/15N Gln was used as the tracer
ST:STUDY_COMMENTS                	this study, even though the analysis did not explicity look for 15N
#SUBJECT
SU:SUBJECT_TYPE                  	cell culture
SU:SUBJECT_SPECIES               	Homo sapiens
SU:TAXONOMY_ID                   	9606
SU:GENOTYPE_STRAIN               	P493
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           	-	hypox-13C/15N-Gln-plate-1	Oxygen Condition:hypoxia | Treatment:None	dry_weight=2.3000; dry_weight%units=mg; cell quench wet_weight=31.7000; cell quench wet_weight%units=mg; lipid extraction wet_weight=539.9; lipid extraction wet_weight%units=mg
SUBJECT_SAMPLE_FACTORS           	-	hypox-13C/15N-Gln-plate-2	Oxygen Condition:hypoxia | Treatment:None	dry_weight=3.0000; dry_weight%units=mg; cell quench wet_weight=35.2000; cell quench wet_weight%units=mg; lipid extraction wet_weight=536.7; lipid extraction wet_weight%units=mg
SUBJECT_SAMPLE_FACTORS           	-	tet-hypox-13C/15N-Gln-plate-1	Oxygen Condition:hypoxia | Treatment:Tetracycline	dry_weight=2.3000; dry_weight%units=mg; cell quench wet_weight=32.3000; cell quench wet_weight%units=mg; lipid extraction wet_weight=529.9; lipid extraction wet_weight%units=mg
SUBJECT_SAMPLE_FACTORS           	-	tet-hypox-13C/15N-Gln-plate-2	Oxygen Condition:hypoxia | Treatment:Tetracycline	dry_weight=2.5000; dry_weight%units=mg; cell quench wet_weight=32.3000; cell quench wet_weight%units=mg; lipid extraction wet_weight=535.6; lipid extraction wet_weight%units=mg
SUBJECT_SAMPLE_FACTORS           	-	normox-13C/15N-Gln-plate-1	Oxygen Condition:normoxia | Treatment:None	dry_weight=3.7000; dry_weight%units=mg; cell quench wet_weight=47.0000; cell quench wet_weight%units=mg; lipid extraction wet_weight=473.3; lipid extraction wet_weight%units=mg
SUBJECT_SAMPLE_FACTORS           	-	normox-13C/15N-Gln-plate-2	Oxygen Condition:normoxia | Treatment:None	dry_weight=3.4000; dry_weight%units=mg; cell quench wet_weight=45.5000; cell quench wet_weight%units=mg; lipid extraction wet_weight=523.5; lipid extraction wet_weight%units=mg
SUBJECT_SAMPLE_FACTORS           	-	tet-normox-13C/15N-Gln-plate-1	Oxygen Condition:normoxia | Treatment:Tetracycline	dry_weight=2.7000; dry_weight%units=mg; cell quench wet_weight=35.2000; cell quench wet_weight%units=mg; lipid extraction wet_weight=530.7; lipid extraction wet_weight%units=mg
SUBJECT_SAMPLE_FACTORS           	-	tet-normox-13C/15N-Gln-plate-2	Oxygen Condition:normoxia | Treatment:Tetracycline	dry_weight=2.8000; dry_weight%units=mg; cell quench wet_weight=35.1000; cell quench wet_weight%units=mg; lipid extraction wet_weight=535.9; lipid extraction wet_weight%units=mg
#COLLECTION
CO:COLLECTION_SUMMARY            	-
CO:COLLECTION_PROTOCOL_COMMENTS  	media collection from plate | Collection and quench of cells in tissue culture
#TREATMENT
TR:TREATMENT_SUMMARY             	-
TR:TREATMENT_PROTOCOL_COMMENTS   	tet-normox-13C/15N-Gln: cell culture under normoxia with 1ug/ml Tetracycline
TR:TREATMENT_PROTOCOL_COMMENTS   	24hr + 24hr with [U-13C/15N]-Gln | normox-13C/15N-Gln: cell culture under
TR:TREATMENT_PROTOCOL_COMMENTS   	for 24hr + 24hr with [U-13C/15N]-Gln | hypox-13C/15N-Gln: cell culture under
TR:TREATMENT_PROTOCOL_COMMENTS   	for 24hr + 24hr with [U-13C/15N]-Gln | tet-hypox-13C/15N-Gln: cell culture
TR:TREATMENT_PROTOCOL_COMMENTS   	hypoxia with 1ug/ml Tetracycline for 24hr + 24hr with [U-13C/15N]-Gln
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	-
SP:SAMPLEPREP_PROTOCOL_COMMENTS  	Protein extraction and quantification. | Lipid extraction and preparation for
SP:SAMPLEPREP_PROTOCOL_COMMENTS  	| Preparation of polar samples for GCMS and NMR.
#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                   	Derivitization is done with MTBSTFA
#MS_METABOLITE_DATA
MS_METABOLITE_DATA:UNITS         	normalized Peak area
MS_METABOLITE_DATA_START
Samples	hypox-13C/15N-Gln-plate-1	hypox-13C/15N-Gln-plate-2	tet-hypox-13C/15N-Gln-plate-1	tet-hypox-13C/15N-Gln-plate-2	normox-13C/15N-Gln-plate-1	normox-13C/15N-Gln-plate-2	tet-normox-13C/15N-Gln-plate-1	tet-normox-13C/15N-Gln-plate-2
Factors	Oxygen Condition:hypoxia | Treatment:None	Oxygen Condition:hypoxia | Treatment:None	Oxygen Condition:hypoxia | Treatment:Tetracycline	Oxygen Condition:hypoxia | Treatment:Tetracycline	Oxygen Condition:normoxia | Treatment:None	Oxygen Condition:normoxia | Treatment:None	Oxygen Condition:normoxia | Treatment:Tetracycline	Oxygen Condition:normoxia | Treatment:Tetracycline
a-glycerol-3P_1-[13C_15N]0								
a-glycerol-3P_1-[13C_15N]1								
a-glycerol-3P_1-[13C_15N]2	0.1149	0.1412	0.1211	0.1255	0.0212	0.0415	0.0722	0.0374
a-glycerol-3P_1-[13C_15N]3								
a-glycerol-3P_1-ALL								
a-glycerol-3P_2-[13C_15N]0	0.3064	0.4186	0.3298	0.3286	0.0460	0.1136	0.1658	0.0810
a-glycerol-3P_2-[13C_15N]1	0.0069						0.0026	0.0038
a-glycerol-3P_2-[13C_15N]2	0.0081	0.0059	0.0038	0.0059	0.0004	0.0001	0.0005	0.0019
a-glycerol-3P_2-[13C_15N]3			0.0019			0.0002	0.0005	
a-glycerol-3P_2-ALL	0.3214	0.4245	0.3355	0.3346	0.0465	0.1140	0.1694	0.0867
a-ketoglutarate-[13C_15N]0		0.0052	0.0211		0.0052	0.0084	0.0122	0.0051
a-ketoglutarate-[13C_15N]1		0.0049			0.0010	0.0087	0.0022	
a-ketoglutarate-[13C_15N]2		0.0117	0.0065		0.0004			0.0050
a-ketoglutarate-[13C_15N]3					0.0168			
a-ketoglutarate-[13C_15N]4								0.0210
a-ketoglutarate-[13C_15N]5		0.0174	0.0526		0.0211			
a-ketoglutarate-ALL		0.0392	0.0802		0.0444	0.0171	0.0144	0.0310
Ala-[13C_15N]0	0.3916	0.4653	0.3652	0.3292	0.2743	0.5599	0.3485	0.1568
Ala-[13C_15N]1	0.1328	0.1455	0.0564	0.0486	0.1551	0.3502	0.0500	0.0211
Ala-[13C_15N]2	0.0079	0.0097	0.0022	0.0066	0.0125	0.0013	0.0026	0.0023
Ala-[13C_15N]3	0.0080	0.0063	0.0028	0.0040	0.0060	0.0048	0.0034	0.0026
Ala-ALL	0.5403	0.6268	0.4266	0.3884	0.4478	0.9163	0.4045	0.1828
Arg-[13C_15N]0	0.4708	0.6774	0.4391	0.4389	0.5416	0.8754	0.5267	0.2387
Arg-[13C_15N]1	0.0146	0.0609	0.0133		0.0111			0.0138
Arg-[13C_15N]2				0.0025				
Arg-[13C_15N]3								
Arg-[13C_15N]4	0.0011							
Arg-[13C_15N]5			0.0035					
Arg-[13C_15N]6								
Arg-ALL	0.4864	0.7383	0.4559	0.4415	0.5527	0.8754	0.5267	0.2526
ascorbate-[13C_15N]0								
ascorbate-[13C_15N]1								
ascorbate-[13C_15N]2								
ascorbate-[13C_15N]3								
ascorbate-[13C_15N]4								
ascorbate-[13C_15N]5								
ascorbate-[13C_15N]6								
ascorbate-ALL								
Asn-[13C_15N]0	0.6743	0.7051	0.5598	0.5690	0.3252	0.8507	1.1455	0.6458
Asn-[13C_15N]1	0.0094	0.0164	0.0306	0.0289	0.0149	0.0533	0.0701	0.0345
Asn-[13C_15N]2	0.0007	0.0173	0.0182	0.0121	0.0006	0.0080	0.0340	0.0005
Asn-[13C_15N]3	0.0060	0.0043		0.0022	0.0036	0.0032	0.0103	0.0045
Asn-[13C_15N]4	0.0060	0.0029	0.0035	0.0005	0.0012	0.0066		0.0032
Asn-ALL	0.6965	0.7460	0.6121	0.6128	0.3454	0.9219	1.2599	0.6885
Asp-[13C_15N]0	0.0397	0.0768	0.0590	0.0824	0.0488	0.0454	0.1438	0.0949
Asp-[13C_15N]1	0.1298	0.1330	0.2228	0.2156	0.0999	0.1551	0.7228	0.3397
Asp-[13C_15N]2	0.0792	0.1034	0.0982	0.0857	0.0921	0.1453	0.3536	0.1562
Asp-[13C_15N]3	0.0478	0.0644	0.0518	0.0492	0.0322	0.0659	0.1926	0.0698
Asp-[13C_15N]4	0.0731	0.0909	0.0501	0.0528	0.0367	0.0626	0.0917	0.0657
Asp-ALL	0.3696	0.4684	0.4819	0.4857	0.3097	0.4743	1.5045	0.7263
bOHbutyrate-[13C_15N]0	0.2581	0.2272	0.1898	0.1831	0.2439	0.2842	0.3663	0.1872
bOHbutyrate-[13C_15N]1		0.0131	0.0065	0.0284			0.0231	0.0003
bOHbutyrate-[13C_15N]2	0.1047	0.0757	0.0983	0.1384	0.0342	0.0954	0.1686	0.0793
bOHbutyrate-[13C_15N]3	0.0017						0.0182	0.0026
bOHbutyrate-[13C_15N]4	0.0008	0.0043	0.0079		0.0008	0.0159		0.0110
bOHbutyrate-ALL	0.3654	0.3202	0.3024	0.3498	0.2789	0.3955	0.5762	0.2804
citrate-[13C_15N]0	0.0252	0.0331	0.0512	0.0586	0.0721	0.1395	0.1946	0.0836
citrate-[13C_15N]1	0.0169	0.0179	0.0219	0.0152	0.0382	0.0857	0.0555	0.0339
citrate-[13C_15N]2	0.0191	0.0306	0.0199	0.0203	0.0384	0.0926	0.0315	0.0210
citrate-[13C_15N]3	0.0252	0.0296	0.0163	0.0204	0.0492	0.0829	0.0232	0.0153
citrate-[13C_15N]4	0.0397	0.0531	0.0263	0.0238	0.0435	0.1109	0.0380	0.0163
citrate-[13C_15N]5	0.0300	0.0396	0.0186	0.0152	0.0340	0.0634	0.0180	0.0114
citrate-[13C_15N]6	0.0058	0.0109	0.0010	0.0037	0.0067	0.0131	0.0035	0.0030
citrate-ALL	0.1619	0.2149	0.1551	0.1572	0.2820	0.5881	0.3643	0.1845
Cys-[13C_15N]0	7.0436	4.8186	9.8646	8.3407	0.7691	3.1068	8.6463	3.8311
Cys-[13C_15N]1	3.7581	4.6527	5.4005	5.8503	0.8916	4.1371	5.0090	2.2747
Cys-[13C_15N]2	0.6589	0.4256	0.6887	0.4510	0.1109	0.2014	0.6191	0.3168
Cys-[13C_15N]3	0.3929	0.3054	0.1623	0.3744	0.1282	0.2985	0.3519	0.0433
Cys-ALL	11.8535	10.2023	16.1161	15.0163	1.8997	7.7438	14.6263	6.4659
fumarate-[13C_15N]0	0.0445	0.0503	0.0428	0.0462	0.0228	0.0568	0.0611	0.0333
fumarate-[13C_15N]1	0.0063	0.0066	0.0069	0.0052	0.0087	0.0173	0.0113	0.0061
fumarate-[13C_15N]2	0.0097	0.0170	0.0079	0.0081	0.0130	0.0246	0.0149	0.0092
fumarate-[13C_15N]3	0.0093	0.0143	0.0042	0.0040	0.0081	0.0155	0.0050	0.0036
fumarate-[13C_15N]4	0.0247	0.0338	0.0094	0.0102	0.0203	0.0394	0.0132	0.0060
fumarate-ALL	0.0945	0.1219	0.0712	0.0737	0.0728	0.1536	0.1056	0.0582
GAB-[13C_15N]0	0.0200	0.0190	0.0170	0.0176	0.0052	0.0099	0.0149	0.0055
GAB-[13C_15N]1	0.0003	0.0009	0.0012	0.0006		0.0013	0.0015	0.0005
GAB-[13C_15N]2	0.0007		0.0004	0.0001		0.0001		0.0002
GAB-[13C_15N]3		0.0001		0.0000		0.0006	0.0001	0.0003
GAB-[13C_15N]4					0.0002	0.0001	0.0002	
GAB-ALL	0.0210	0.0200	0.0186	0.0184	0.0054	0.0120	0.0167	0.0065
Gln-[13C_15N]0	0.2308	0.3050	0.3664	0.3417	0.1055	0.2652	0.4724	0.2451
Gln-[13C_15N]1	0.0342	0.0418	0.0484	0.0433	0.0076	0.0149	0.0207	0.0421
Gln-[13C_15N]2	0.0218	0.0126	0.0428	0.0316	0.0124	0.0285	0.0343	0.0166
Gln-[13C_15N]3	0.0059	0.0050		0.0033	0.0025	0.0164	0.0094	0.0053
Gln-[13C_15N]4	0.0105	0.0132		0.0133	0.0049	0.0145	0.0059	0.0046
Gln-[13C_15N]5	0.0197	0.0229	0.0244	0.0092	0.0117	0.0501	0.0619	0.0125
Gln-ALL	0.3228	0.4006	0.4820	0.4424	0.1446	0.3897	0.6046	0.3262
Glu-[13C_15N]0	0.0671	0.1204	0.2750	0.2202	0.0362	0.0661	0.2583	0.1969
Glu-[13C_15N]1	0.7996	0.8336	1.9741	2.2490	0.4488	0.8593	5.4423	2.5636
Glu-[13C_15N]2	0.5994	0.9038	1.2717	1.3118	0.5973	1.1286	2.3907	1.2345
Glu-[13C_15N]3	0.5196	0.6438	0.8035	0.7854	0.4079	0.8343	1.1925	0.5319
Glu-[13C_15N]4	0.9523	0.9302	1.0396	1.0906	0.5509	1.0631	1.2035	0.6228
Glu-[13C_15N]5	0.9713	1.1565	0.5819	0.7761	0.4511	0.7450	0.6284	0.3121
Glu-ALL	3.9092	4.5883	5.9458	6.4331	2.4922	4.6964	11.1157	5.4617
Gly-[13C_15N]0	4.0614	4.4400	5.0857	4.9705	2.2732	4.9478	7.4143	3.6822
Gly-[13C_15N]1	0.3270	0.1933	0.1430	0.2582	0.1256	0.3471	0.2017	0.1098
Gly-[13C_15N]2	0.0157		0.0020	0.0343				
Gly-ALL	4.4040	4.6333	5.2306	5.2629	2.3988	5.2949	7.6160	3.7920
His-[13C_15N]0	0.1536	0.2182	0.1603	0.1781	0.0988	0.2176	0.1883	0.1162
His-[13C_15N]1	0.0159	0.0006	0.0021				0.0136	0.0020
His-[13C_15N]2		0.0046				0.0017		
His-[13C_15N]3	0.0130	0.0053	0.0112	0.0006	0.0094		0.0008	0.0042
His-[13C_15N]4	0.0063	0.0085	0.0062	0.0082		0.0021	0.0054	
His-[13C_15N]5		0.0122	0.0058	0.0017	0.0060	0.0186	0.0348	0.0340
His-[13C_15N]6	0.0084	0.0030	0.0037	0.0147	0.0027	0.0080	0.0222	0.0122
His-ALL	0.1971	0.2525	0.1893	0.2033	0.1169	0.2480	0.2651	0.1686
Ile-[13C_15N]0	0.0220	0.0217	0.0222	0.0182	0.0043	0.0148	0.0316	0.0169
Ile-[13C_15N]1	0.1490	0.1662	0.1657	0.1593	0.0766	0.1668	0.1868	0.0926
Ile-[13C_15N]2	0.0695	0.0687	0.0448	0.0422	0.0455	0.0994	0.0550	0.0258
Ile-[13C_15N]3	0.0034	0.0031	0.0031	0.0037	0.0034	0.0065	0.0037	0.0009
Ile-[13C_15N]4	0.0002	0.0006					0.0027	0.0008
Ile-[13C_15N]5								
Ile-[13C_15N]6	0.0005		0.0007	0.0003				
Ile-ALL	0.2448	0.2603	0.2366	0.2238	0.1298	0.2875	0.2798	0.1370
lactate-[13C_15N]0	1.5892	1.2842	0.9805	1.1571	0.8215	2.0272	1.1507	0.7098
lactate-[13C_15N]1	0.0722	0.0537	0.0393	0.0224	0.0219	0.0344	0.0066	0.0205
lactate-[13C_15N]2		0.0184	0.0049	0.0086	0.0136	0.0346	0.0112	0.0041
lactate-[13C_15N]3	0.0567	0.0376	0.0284	0.0360	0.0253	0.0388	0.0184	0.0134
lactate-ALL	1.7181	1.3940	1.0531	1.2241	0.8823	2.1350	1.1870	0.7478
Leu-[13C_15N]0	0.0288	0.0308	0.0353	0.0263	0.0113	0.0317	0.0251	0.0151
Leu-[13C_15N]1	0.2111	0.2262	0.2416	0.2366	0.1095	0.2213	0.2696	0.1324
Leu-[13C_15N]2	0.0772	0.0866	0.0521	0.0531	0.0643	0.1274	0.0542	0.0274
Leu-[13C_15N]3	0.0026	0.0057	0.0083	0.0001	0.0050	0.0074	0.0060	0.0018
Leu-[13C_15N]4	0.0019	0.0028	0.0006			0.0018	0.0002	0.0012
Leu-[13C_15N]5	0.0009		0.0002	0.0012		0.0012	0.0014	0.0001
Leu-[13C_15N]6	0.0000	0.0003	0.0003	0.0010			0.0001	0.0001
Leu-ALL	0.3225	0.3525	0.3383	0.3182	0.1902	0.3907	0.3567	0.1782
Lys-[13C_15N]0	0.3742	0.4670	0.4541	0.3768	0.2759	0.5051	0.3296	0.1775
Lys-[13C_15N]1	0.0363	0.0003	0.0091	0.0196	0.0355	0.0709	0.0806	0.0171
Lys-[13C_15N]2	0.0083	0.0089	0.0041	0.0032	0.0083			
Lys-[13C_15N]3		0.0243	0.0021	0.0031				0.0039
Lys-[13C_15N]4	0.0010		0.0058	0.0100			0.0077	
Lys-[13C_15N]5						0.0049		
Lys-[13C_15N]6	0.0058	0.0075	0.0137	0.0081	0.0021		0.0018	
Lys-ALL	0.4257	0.5079	0.4890	0.4208	0.3218	0.5809	0.4198	0.1986
Malate-[13C_15N]0	0.0467	0.0488	0.0538	0.0569	0.0531	0.1168	0.1651	0.0901
Malate-[13C_15N]1	0.0243	0.0247	0.0265	0.0203	0.0332	0.0668	0.0465	0.0176
Malate-[13C_15N]2	0.0425	0.0424	0.0193	0.0198	0.0334	0.0810	0.0399	0.0210
Malate-[13C_15N]3	0.0444	0.0394	0.0196	0.0175	0.0341	0.0591	0.0147	0.0125
Malate-[13C_15N]4	0.0933	0.1002	0.0288	0.0327	0.0574	0.1281	0.0567	0.0231
Malate-ALL	0.2512	0.2555	0.1478	0.1473	0.2111	0.4519	0.3229	0.1643
Met-[13C_15N]0	0.0269	0.0259	0.0259	0.0223	0.0071	0.0216	0.0467	0.0167
Met-[13C_15N]1	0.0879	0.1231	0.0936	0.0973	0.0509	0.0977	0.0859	0.0517
Met-[13C_15N]2	0.0173	0.0126	0.0091	0.0116	0.0111	0.0149	0.0166	0.0096
Met-[13C_15N]3	0.0071	0.0096	0.0067	0.0077	0.0039	0.0086	0.0145	0.0027
Met-[13C_15N]4	0.0055	0.0036	0.0016	0.0026	0.0005	0.0038		0.0005
Met-[13C_15N]5	0.0249	0.0241	0.0248	0.0209	0.0065	0.0199	0.0452	0.0162
Met-ALL	0.1696	0.1989	0.1615	0.1624	0.0800	0.1666	0.2089	0.0974
Norleu-ALL								
OHPro-[13C_15N]0	0.2993	0.3706	0.2548	0.2745	0.2646	0.5191	0.6066	0.2475
OHPro-[13C_15N]1	0.0111	0.0243	0.0149	0.0159	0.0050	0.0247	0.0240	0.0215
OHPro-[13C_15N]2	0.0006				0.0035	0.0033	0.0060	0.0032
OHPro-[13C_15N]3	0.0035	0.0018	0.0016	0.0014		0.0015	0.0049	
OHPro-[13C_15N]4		0.0008	0.0008	0.0010	0.0001			
OHPro-[13C_15N]5	0.0007					0.0004	0.0016	
OHPro-ALL	0.3152	0.3975	0.2719	0.2928	0.2733	0.5490	0.6432	0.2722
Orn-[13C_15N]0	0.0698	0.0868	0.0510	0.0545	0.0615	0.0963	0.0690	0.0329
Orn-[13C_15N]1	0.0192	0.0070	0.0107	0.0184	0.0097	0.0116	0.0244	0.0168
Orn-[13C_15N]2		0.0141	0.0081	0.0068	0.0074	0.0030		0.0044
Orn-[13C_15N]3	0.0013			0.0015	0.0030	0.0089	0.0014	0.0001
Orn-[13C_15N]4	0.0069	0.0010	0.0030				0.0051	0.0013
Orn-[13C_15N]5		0.0097	0.0006	0.0006	0.0024	0.0030	0.0048	0.0023
Orn-ALL	0.0970	0.1185	0.0735	0.0818	0.0840	0.1227	0.1046	0.0576
Phe-[13C_15N]0	0.1100	0.1171	0.1028	0.0972	0.0423	0.0994	0.1236	0.0670
Phe-[13C_15N]1	0.0202	0.0393	0.0284	0.0288	0.0306	0.0545	0.0285	0.0142
Phe-[13C_15N]2	0.0043	0.0000	0.0026	0.0020	0.0017	0.0018	0.0017	0.0024
Phe-[13C_15N]3	0.0014	0.0008	0.0035	0.0010	0.0011	0.0014	0.0026	
Phe-[13C_15N]4		0.0025		0.0011	0.0002	0.0017	0.0009	0.0005
Phe-[13C_15N]5	0.0053	0.0005		0.0005	0.0004	0.0028	0.0026	0.0004
Phe-[13C_15N]6		0.0010	0.0017	0.0002		0.0006	0.0011	0.0004
Phe-[13C_15N]7								
Phe-[13C_15N]8								
Phe-[13C_15N]9								
Phe-ALL	0.1413	0.1613	0.1391	0.1310	0.0763	0.1621	0.1610	0.0850
PO4-ALL								
Pro258-[13C_15N]0	0.4589	0.5665	0.5567	0.5776	0.3985	0.7442	0.6562	0.3119
Pro258-[13C_15N]1	0.1322	0.1724	0.1303	0.1330	0.1726	0.3497	0.1270	0.0504
Pro258-[13C_15N]2	0.1992	0.2117	0.1205	0.1291	0.1877	0.3307	0.0715	0.0315
Pro258-[13C_15N]3	0.1501	0.1636	0.0601	0.0750	0.1351	0.2619	0.0263	0.0199
Pro258-[13C_15N]4	0.5479	0.6123	0.2478	0.2519	0.2308	0.4628	0.1038	0.0456
Pro258-[13C_15N]5	0.3723	0.4011	0.1054	0.1001	0.2620	0.4995	0.0253	0.0134
Pro258-ALL	1.8605	2.1276	1.2208	1.2668	1.3867	2.6488	1.0101	0.4727
SeMet-ALL								
Ser-[13C_15N]0	0.4183	0.5079	0.4695	0.4434	0.2411	0.4563	0.6731	0.3301
Ser-[13C_15N]1	0.0345	0.0456	0.0142	0.0163	0.0219	0.0675	0.0178	0.0157
Ser-[13C_15N]2	0.0026	0.0037	0.0035	0.0037	0.0019	0.0071	0.0079	0.0023
Ser-[13C_15N]3		0.0039	0.0001	0.0024			0.0017	
Ser-ALL	0.4554	0.5611	0.4873	0.4658	0.2649	0.5308	0.7005	0.3481
Succinate-[13C_15N]0	0.0696	0.0563	0.0537	0.0535	0.0268	0.0366	0.0695	0.0400
Succinate-[13C_15N]1	0.0039	0.0031	0.0016	0.0007	0.0011	0.0013	0.0026	0.0015
Succinate-[13C_15N]2	0.0022	0.0013	0.0018	0.0020	0.0007	0.0034	0.0018	0.0008
Succinate-[13C_15N]3	0.0016	0.0003	0.0019	0.0027	0.0026	0.0096	0.0048	0.0019
Succinate-[13C_15N]4	0.0124	0.0093	0.0102	0.0111	0.0141	0.0287	0.0199	0.0100
Succinate-ALL	0.0898	0.0703	0.0692	0.0700	0.0454	0.0796	0.0986	0.0542
t-aconitate-[13C_15N]0	0.0017	0.0015	0.0018	0.0021	0.0020	0.0030	0.0048	0.0027
t-aconitate-[13C_15N]1	0.0005	0.0006	0.0008	0.0011	0.0010	0.0029	0.0010	0.0004
t-aconitate-[13C_15N]2	0.0005	0.0014	0.0014	0.0008	0.0015	0.0019	0.0012	0.0002
t-aconitate-[13C_15N]3	0.0011	0.0018	0.0007	0.0009	0.0011	0.0029	0.0008	0.0008
t-aconitate-[13C_15N]4	0.0015	0.0028		0.0009	0.0012	0.0029	0.0020	0.0004
t-aconitate-[13C_15N]5	0.0003	0.0018	0.0006	0.0004	0.0009	0.0010	0.0005	0.0003
t-aconitate-[13C_15N]6	0.0007	0.0002		0.0004	0.0000	0.0006	0.0001	
t-aconitate-ALL	0.0062	0.0101	0.0054	0.0065	0.0077	0.0151	0.0104	0.0049
Thr-[13C_15N]0	0.3734	0.4269	0.3586	0.3828	0.2570	0.4701	0.5714	0.2548
Thr-[13C_15N]1	0.0043	0.0027	0.0190	0.0123	0.0081	0.0287	0.0218	0.0115
Thr-[13C_15N]2		0.0039	0.0085		0.0023		0.0017	
Thr-[13C_15N]3	0.0016	0.0018		0.0004			0.0024	0.0006
Thr-[13C_15N]4				0.0011	0.0001			
Thr-ALL	0.3793	0.4353	0.3860	0.3966	0.2674	0.4989	0.5974	0.2669
Trp-[13C_15N]0	0.0067	0.0070	0.0067	0.0080	0.0043	0.0088	0.0093	0.0083
Trp-[13C_15N]1	0.0021	0.0002	0.0007	0.0028		0.0000	0.0019	0.0025
Trp-[13C_15N]10								
Trp-[13C_15N]11								
Trp-[13C_15N]2		0.0004	0.0004	0.0009		0.0009		
Trp-[13C_15N]3	0.0005					0.0005	0.0011	
Trp-[13C_15N]4	0.0009	0.0016	0.0017	0.0006		0.0004	0.0003	0.0002
Trp-[13C_15N]5	0.0008	0.0010	0.0002	0.0003			0.0010	0.0003
Trp-[13C_15N]6	0.0037	0.0016	0.0004	0.0017	0.0003	0.0013	0.0013	0.0006
Trp-[13C_15N]7								
Trp-[13C_15N]8								
Trp-[13C_15N]9								
Trp-ALL	0.0148	0.0118	0.0100	0.0143	0.0046	0.0119	0.0151	0.0120
Tyr-[13C_15N]0	0.1410	0.1786	0.1396	0.1336	0.0757	0.1642	0.1637	0.0960
Tyr-[13C_15N]1	0.0133	0.0193	0.0127	0.0160	0.0120	0.0178	0.0137	0.0098
Tyr-[13C_15N]2	0.0003	0.0007	0.0041	0.0012		0.0031	0.0019	
Tyr-[13C_15N]3	0.0008	0.0033	0.0013			0.0002		0.0003
Tyr-[13C_15N]4				0.0009		0.0000		0.0001
Tyr-[13C_15N]5	0.0006	0.0003	0.0003	0.0005	0.0002	0.0008	0.0001	0.0010
Tyr-[13C_15N]6	0.0013	0.0013	0.0001		0.0000	0.0000	0.0005	0.0001
Tyr-[13C_15N]7								
Tyr-[13C_15N]8								
Tyr-[13C_15N]9								
Tyr-ALL	0.1574	0.2034	0.1581	0.1522	0.0879	0.1863	0.1799	0.1072
Val-[13C_15N]0	0.4319	0.5292	0.5259	0.5155	0.2260	0.5117	0.5208	0.2634
Val-[13C_15N]1	0.1924	0.2147	0.1224	0.1366	0.1455	0.3011	0.1519	0.0776
Val-[13C_15N]2	0.0232	0.0206	0.0264	0.0141	0.0089	0.0209	0.0070	0.0060
Val-[13C_15N]3								
Val-[13C_15N]4							0.0005	0.0047
Val-[13C_15N]5	0.0077			0.0017		0.0011	0.0010	0.0017
Val-ALL	0.6552	0.7644	0.6748	0.6679	0.3804	0.8347	0.6812	0.3534
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-[13C,15N]0							U_Kentucky_isotope	
a-glycerol-3P_1-[13C,15N]1							U_Kentucky_isotope	
a-glycerol-3P_1-[13C,15N]2							U_Kentucky_isotope	
a-glycerol-3P_1-[13C,15N]3							U_Kentucky_isotope	
a-glycerol-3P_1-ALL							U_Kentucky_isotope	
a-glycerol-3P_2-[13C,15N]0							U_Kentucky_isotope	
a-glycerol-3P_2-[13C,15N]1							U_Kentucky_isotope	
a-glycerol-3P_2-[13C,15N]2							U_Kentucky_isotope	
a-glycerol-3P_2-[13C,15N]3							U_Kentucky_isotope	
a-glycerol-3P_2-ALL							U_Kentucky_isotope	
a-ketoglutarate-[13C,15N]0							U_Kentucky_isotope	
a-ketoglutarate-[13C,15N]1							U_Kentucky_isotope	
a-ketoglutarate-[13C,15N]2							U_Kentucky_isotope	
a-ketoglutarate-[13C,15N]3							U_Kentucky_isotope	
a-ketoglutarate-[13C,15N]4							U_Kentucky_isotope	
a-ketoglutarate-[13C,15N]5							U_Kentucky_isotope	
a-ketoglutarate-ALL							U_Kentucky_isotope	
Ala-[13C,15N]0							U_Kentucky_isotope	
Ala-[13C,15N]1							U_Kentucky_isotope	
Ala-[13C,15N]2							U_Kentucky_isotope	
Ala-[13C,15N]3							U_Kentucky_isotope	
Ala-ALL							U_Kentucky_isotope	
Arg-[13C,15N]0							U_Kentucky_isotope	
Arg-[13C,15N]1							U_Kentucky_isotope	
Arg-[13C,15N]2							U_Kentucky_isotope	
Arg-[13C,15N]3							U_Kentucky_isotope	
Arg-[13C,15N]4							U_Kentucky_isotope	
Arg-[13C,15N]5							U_Kentucky_isotope	
Arg-[13C,15N]6							U_Kentucky_isotope	
Arg-ALL							U_Kentucky_isotope	
ascorbate-[13C,15N]0							U_Kentucky_isotope	
ascorbate-[13C,15N]1							U_Kentucky_isotope	
ascorbate-[13C,15N]2							U_Kentucky_isotope	
ascorbate-[13C,15N]3							U_Kentucky_isotope	
ascorbate-[13C,15N]4							U_Kentucky_isotope	
ascorbate-[13C,15N]5							U_Kentucky_isotope	
ascorbate-[13C,15N]6							U_Kentucky_isotope	
ascorbate-ALL							U_Kentucky_isotope	
Asn-[13C,15N]0							U_Kentucky_isotope	
Asn-[13C,15N]1							U_Kentucky_isotope	
Asn-[13C,15N]2							U_Kentucky_isotope	
Asn-[13C,15N]3							U_Kentucky_isotope	
Asn-[13C,15N]4							U_Kentucky_isotope	
Asn-ALL							U_Kentucky_isotope	
Asp-[13C,15N]0							U_Kentucky_isotope	
Asp-[13C,15N]1							U_Kentucky_isotope	
Asp-[13C,15N]2							U_Kentucky_isotope	
Asp-[13C,15N]3							U_Kentucky_isotope	
Asp-[13C,15N]4							U_Kentucky_isotope	
Asp-ALL							U_Kentucky_isotope	
bOHbutyrate-[13C,15N]0							U_Kentucky_isotope	
bOHbutyrate-[13C,15N]1							U_Kentucky_isotope	
bOHbutyrate-[13C,15N]2							U_Kentucky_isotope	
bOHbutyrate-[13C,15N]3							U_Kentucky_isotope	
bOHbutyrate-[13C,15N]4							U_Kentucky_isotope	
bOHbutyrate-ALL							U_Kentucky_isotope	
citrate-[13C,15N]0							U_Kentucky_isotope	
citrate-[13C,15N]1							U_Kentucky_isotope	
citrate-[13C,15N]2							U_Kentucky_isotope	
citrate-[13C,15N]3							U_Kentucky_isotope	
citrate-[13C,15N]4							U_Kentucky_isotope	
citrate-[13C,15N]5							U_Kentucky_isotope	
citrate-[13C,15N]6							U_Kentucky_isotope	
citrate-ALL							U_Kentucky_isotope	
Cys-[13C,15N]0							U_Kentucky_isotope	
Cys-[13C,15N]1							U_Kentucky_isotope	
Cys-[13C,15N]2							U_Kentucky_isotope	
Cys-[13C,15N]3							U_Kentucky_isotope	
Cys-ALL							U_Kentucky_isotope	
fumarate-[13C,15N]0							U_Kentucky_isotope	
fumarate-[13C,15N]1							U_Kentucky_isotope	
fumarate-[13C,15N]2							U_Kentucky_isotope	
fumarate-[13C,15N]3							U_Kentucky_isotope	
fumarate-[13C,15N]4							U_Kentucky_isotope	
fumarate-ALL							U_Kentucky_isotope	
GAB-[13C,15N]0							U_Kentucky_isotope	
GAB-[13C,15N]1							U_Kentucky_isotope	
GAB-[13C,15N]2							U_Kentucky_isotope	
GAB-[13C,15N]3							U_Kentucky_isotope	
GAB-[13C,15N]4							U_Kentucky_isotope	
GAB-ALL							U_Kentucky_isotope	
Gln-[13C,15N]0							U_Kentucky_isotope	
Gln-[13C,15N]1							U_Kentucky_isotope	
Gln-[13C,15N]2							U_Kentucky_isotope	
Gln-[13C,15N]3							U_Kentucky_isotope	
Gln-[13C,15N]4							U_Kentucky_isotope	
Gln-[13C,15N]5							U_Kentucky_isotope	
Gln-ALL							U_Kentucky_isotope	
Glu-[13C,15N]0							U_Kentucky_isotope	
Glu-[13C,15N]1							U_Kentucky_isotope	
Glu-[13C,15N]2							U_Kentucky_isotope	
Glu-[13C,15N]3							U_Kentucky_isotope	
Glu-[13C,15N]4							U_Kentucky_isotope	
Glu-[13C,15N]5							U_Kentucky_isotope	
Glu-ALL							U_Kentucky_isotope	
Gly-[13C,15N]0							U_Kentucky_isotope	
Gly-[13C,15N]1							U_Kentucky_isotope	
Gly-[13C,15N]2							U_Kentucky_isotope	
Gly-ALL							U_Kentucky_isotope	
His-[13C,15N]0							U_Kentucky_isotope	
His-[13C,15N]1							U_Kentucky_isotope	
His-[13C,15N]2							U_Kentucky_isotope	
His-[13C,15N]3							U_Kentucky_isotope	
His-[13C,15N]4							U_Kentucky_isotope	
His-[13C,15N]5							U_Kentucky_isotope	
His-[13C,15N]6							U_Kentucky_isotope	
His-ALL							U_Kentucky_isotope	
Ile-[13C,15N]0							U_Kentucky_isotope	
Ile-[13C,15N]1							U_Kentucky_isotope	
Ile-[13C,15N]2							U_Kentucky_isotope	
Ile-[13C,15N]3							U_Kentucky_isotope	
Ile-[13C,15N]4							U_Kentucky_isotope	
Ile-[13C,15N]5							U_Kentucky_isotope	
Ile-[13C,15N]6							U_Kentucky_isotope	
Ile-ALL							U_Kentucky_isotope	
lactate-[13C,15N]0							U_Kentucky_isotope	
lactate-[13C,15N]1							U_Kentucky_isotope	
lactate-[13C,15N]2							U_Kentucky_isotope	
lactate-[13C,15N]3							U_Kentucky_isotope	
lactate-ALL							U_Kentucky_isotope	
Leu-[13C,15N]0							U_Kentucky_isotope	
Leu-[13C,15N]1							U_Kentucky_isotope	
Leu-[13C,15N]2							U_Kentucky_isotope	
Leu-[13C,15N]3							U_Kentucky_isotope	
Leu-[13C,15N]4							U_Kentucky_isotope	
Leu-[13C,15N]5							U_Kentucky_isotope	
Leu-[13C,15N]6							U_Kentucky_isotope	
Leu-ALL							U_Kentucky_isotope	
Lys-[13C,15N]0							U_Kentucky_isotope	
Lys-[13C,15N]1							U_Kentucky_isotope	
Lys-[13C,15N]2							U_Kentucky_isotope	
Lys-[13C,15N]3							U_Kentucky_isotope	
Lys-[13C,15N]4							U_Kentucky_isotope	
Lys-[13C,15N]5							U_Kentucky_isotope	
Lys-[13C,15N]6							U_Kentucky_isotope	
Lys-ALL							U_Kentucky_isotope	
Malate-[13C,15N]0							U_Kentucky_isotope	
Malate-[13C,15N]1							U_Kentucky_isotope	
Malate-[13C,15N]2							U_Kentucky_isotope	
Malate-[13C,15N]3							U_Kentucky_isotope	
Malate-[13C,15N]4							U_Kentucky_isotope	
Malate-ALL							U_Kentucky_isotope	
Met-[13C,15N]0							U_Kentucky_isotope	
Met-[13C,15N]1							U_Kentucky_isotope	
Met-[13C,15N]2							U_Kentucky_isotope	
Met-[13C,15N]3							U_Kentucky_isotope	
Met-[13C,15N]4							U_Kentucky_isotope	
Met-[13C,15N]5							U_Kentucky_isotope	
Met-ALL							U_Kentucky_isotope	
Norleu-ALL							U_Kentucky_isotope	
OHPro-[13C,15N]0							U_Kentucky_isotope	
OHPro-[13C,15N]1							U_Kentucky_isotope	
OHPro-[13C,15N]2							U_Kentucky_isotope	
OHPro-[13C,15N]3							U_Kentucky_isotope	
OHPro-[13C,15N]4							U_Kentucky_isotope	
OHPro-[13C,15N]5							U_Kentucky_isotope	
OHPro-ALL							U_Kentucky_isotope	
Orn-[13C,15N]0							U_Kentucky_isotope	
Orn-[13C,15N]1							U_Kentucky_isotope	
Orn-[13C,15N]2							U_Kentucky_isotope	
Orn-[13C,15N]3							U_Kentucky_isotope	
Orn-[13C,15N]4							U_Kentucky_isotope	
Orn-[13C,15N]5							U_Kentucky_isotope	
Orn-ALL							U_Kentucky_isotope	
Phe-[13C,15N]0							U_Kentucky_isotope	
Phe-[13C,15N]1							U_Kentucky_isotope	
Phe-[13C,15N]2							U_Kentucky_isotope	
Phe-[13C,15N]3							U_Kentucky_isotope	
Phe-[13C,15N]4							U_Kentucky_isotope	
Phe-[13C,15N]5							U_Kentucky_isotope	
Phe-[13C,15N]6							U_Kentucky_isotope	
Phe-[13C,15N]7							U_Kentucky_isotope	
Phe-[13C,15N]8							U_Kentucky_isotope	
Phe-[13C,15N]9							U_Kentucky_isotope	
Phe-ALL							U_Kentucky_isotope	
PO4-ALL							U_Kentucky_isotope	
Pro258-[13C,15N]0							U_Kentucky_isotope	
Pro258-[13C,15N]1							U_Kentucky_isotope	
Pro258-[13C,15N]2							U_Kentucky_isotope	
Pro258-[13C,15N]3							U_Kentucky_isotope	
Pro258-[13C,15N]4							U_Kentucky_isotope	
Pro258-[13C,15N]5							U_Kentucky_isotope	
Pro258-ALL							U_Kentucky_isotope	
SeMet-ALL							U_Kentucky_isotope	
Ser-[13C,15N]0							U_Kentucky_isotope	
Ser-[13C,15N]1							U_Kentucky_isotope	
Ser-[13C,15N]2							U_Kentucky_isotope	
Ser-[13C,15N]3							U_Kentucky_isotope	
Ser-ALL							U_Kentucky_isotope	
Succinate-[13C,15N]0							U_Kentucky_isotope	
Succinate-[13C,15N]1							U_Kentucky_isotope	
Succinate-[13C,15N]2							U_Kentucky_isotope	
Succinate-[13C,15N]3							U_Kentucky_isotope	
Succinate-[13C,15N]4							U_Kentucky_isotope	
Succinate-ALL							U_Kentucky_isotope	
t-aconitate-[13C,15N]0							U_Kentucky_isotope	
t-aconitate-[13C,15N]1							U_Kentucky_isotope	
t-aconitate-[13C,15N]2							U_Kentucky_isotope	
t-aconitate-[13C,15N]3							U_Kentucky_isotope	
t-aconitate-[13C,15N]4							U_Kentucky_isotope	
t-aconitate-[13C,15N]5							U_Kentucky_isotope	
t-aconitate-[13C,15N]6							U_Kentucky_isotope	
t-aconitate-ALL							U_Kentucky_isotope	
Thr-[13C,15N]0							U_Kentucky_isotope	
Thr-[13C,15N]1							U_Kentucky_isotope	
Thr-[13C,15N]2							U_Kentucky_isotope	
Thr-[13C,15N]3							U_Kentucky_isotope	
Thr-[13C,15N]4							U_Kentucky_isotope	
Thr-ALL							U_Kentucky_isotope	
Trp-[13C,15N]0							U_Kentucky_isotope	
Trp-[13C,15N]1							U_Kentucky_isotope	
Trp-[13C,15N]10							U_Kentucky_isotope	
Trp-[13C,15N]11							U_Kentucky_isotope	
Trp-[13C,15N]2							U_Kentucky_isotope	
Trp-[13C,15N]3							U_Kentucky_isotope	
Trp-[13C,15N]4							U_Kentucky_isotope	
Trp-[13C,15N]5							U_Kentucky_isotope	
Trp-[13C,15N]6							U_Kentucky_isotope	
Trp-[13C,15N]7							U_Kentucky_isotope	
Trp-[13C,15N]8							U_Kentucky_isotope	
Trp-[13C,15N]9							U_Kentucky_isotope	
Trp-ALL							U_Kentucky_isotope	
Tyr-[13C,15N]0							U_Kentucky_isotope	
Tyr-[13C,15N]1							U_Kentucky_isotope	
Tyr-[13C,15N]2							U_Kentucky_isotope	
Tyr-[13C,15N]3							U_Kentucky_isotope	
Tyr-[13C,15N]4							U_Kentucky_isotope	
Tyr-[13C,15N]5							U_Kentucky_isotope	
Tyr-[13C,15N]6							U_Kentucky_isotope	
Tyr-[13C,15N]7							U_Kentucky_isotope	
Tyr-[13C,15N]8							U_Kentucky_isotope	
Tyr-[13C,15N]9							U_Kentucky_isotope	
Tyr-ALL							U_Kentucky_isotope	
Val-[13C,15N]0							U_Kentucky_isotope	
Val-[13C,15N]1							U_Kentucky_isotope	
Val-[13C,15N]2							U_Kentucky_isotope	
Val-[13C,15N]3							U_Kentucky_isotope	
Val-[13C,15N]4							U_Kentucky_isotope	
Val-[13C,15N]5							U_Kentucky_isotope	
Val-ALL							U_Kentucky_isotope	
METABOLITES_END
#END