#METABOLOMICS WORKBENCH huntermoseley_20141002_9654701_mwtab.txt DATATRACK_ID:168 STUDY_ID:ST000110 ANALYSIS_ID:AN000185 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 (Both positive and 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).
#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=3.9000000000000146; dry_weight%units=mg; pellet_weight=44.69999999999996; pellet_weight%units=mg; wet_weight=0.21279999999999988; wet_weight%units=g
SUBJECT_SAMPLE_FACTORS           	-	hypox-13C/15N-Gln-plate-2	Oxygen Condition:hypoxia | Treatment:None	dry_weight=3.7000000000000366; dry_weight%units=mg; pellet_weight=45.00000000000015; pellet_weight%units=mg; wet_weight=0.21100000000000008; wet_weight%units=g
SUBJECT_SAMPLE_FACTORS           	-	tet-hypox-13C/15N-Gln-plate-1	Oxygen Condition:hypoxia | Treatment:Tetracycline	dry_weight=4.1999999999999815; dry_weight%units=mg; pellet_weight=44.10000000000003; pellet_weight%units=mg; wet_weight=0.20619999999999994; wet_weight%units=g
SUBJECT_SAMPLE_FACTORS           	-	tet-hypox-13C/15N-Gln-plate-2	Oxygen Condition:hypoxia | Treatment:Tetracycline	dry_weight=3.3000000000000806; dry_weight%units=mg; pellet_weight=45.5000000000001; pellet_weight%units=mg; wet_weight=0.20974999999999988; wet_weight%units=g
SUBJECT_SAMPLE_FACTORS           	-	normox-13C/15N-Gln-plate-1	Oxygen Condition:normoxia | Treatment:None	dry_weight=3.7000000000000366; dry_weight%units=mg; pellet_weight=37.60000000000008; pellet_weight%units=mg; wet_weight=0.2197499999999999; wet_weight%units=g
SUBJECT_SAMPLE_FACTORS           	-	normox-13C/15N-Gln-plate-2	Oxygen Condition:normoxia | Treatment:None	dry_weight=4.0999999999999925; dry_weight%units=mg; pellet_weight=38.000000000000036; pellet_weight%units=mg; wet_weight=0.2125999999999999; wet_weight%units=g
SUBJECT_SAMPLE_FACTORS           	-	tet-normox-13C/15N-Gln-plate-1	Oxygen Condition:normoxia | Treatment:Tetracycline	dry_weight=5.50000000000006; dry_weight%units=mg; pellet_weight=46.70000000000019; pellet_weight%units=mg; wet_weight=0.2137; wet_weight%units=g
SUBJECT_SAMPLE_FACTORS           	-	tet-normox-13C/15N-Gln-plate-2	Oxygen Condition:normoxia | Treatment:Tetracycline	dry_weight=5.400000000000071; dry_weight%units=mg; pellet_weight=52.70000000000019; pellet_weight%units=mg; wet_weight=0.21950000000000003; wet_weight%units=g
#COLLECTION
CO:COLLECTION_SUMMARY            	-
CO:COLLECTION_PROTOCOL_COMMENTS  	Collection and quench of cells in tissue culture
#TREATMENT
TR:TREATMENT_SUMMARY             	-
TR:TREATMENT_PROTOCOL_COMMENTS   	hypox-13C/15N-Gln: cell culture under hypoxia for 24hr + 24hr with
TR:TREATMENT_PROTOCOL_COMMENTS   	tet-hypox-13C/15N-Gln: cell culture under hypoxia with 1ug/ml Tetracycline for
TR:TREATMENT_PROTOCOL_COMMENTS   	+ 24hr with [U-13C/15N]-Gln; tet-normox-13C/15N-Gln: cell culture under
TR:TREATMENT_PROTOCOL_COMMENTS   	with 1ug/ml Tetracycline for 24hr + 24hr with [U-13C/15N]-Gln;
TR:TREATMENT_PROTOCOL_COMMENTS   	cell culture under normoxia for 24hr + 24hr with [U-13C/15N]-Gln
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	-
SP:SAMPLEPREP_PROTOCOL_COMMENTS  	Protein extraction and quantification. |Preparation of polar samples for GCMS
SP:SAMPLEPREP_PROTOCOL_COMMENTS  	NMR. | Lipid extraction and preparation for FTMS.
#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         	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	0.0490	0.0887	0.1142	0.1181	0.1414	0.1517	0.1860	0.1653
a-glycerol-3P_#1-[13C_15N]1	0.0012	0.0056		0.0050		0.0034	0.0025	0.0013
a-glycerol-3P_#1-[13C_15N]2		0.0009			0.0022			
a-glycerol-3P_#1-[13C_15N]3	0.0005	0.0003	0.0005	0.0006	0.0052	0.0052	0.0059	0.0064
a-glycerol-3P_#1-ALL	0.0506	0.0955	0.1147	0.1237	0.1488	0.1603	0.1944	0.1729
a-glycerol-3P_#2-[13C_15N]0	0.0278	0.0548	0.0718	0.0713	0.0855	0.0889	0.1135	0.1028
a-glycerol-3P_#2-[13C_15N]1	0.0003		0.0011	0.0007		0.0022	0.0038	
a-glycerol-3P_#2-[13C_15N]2	0.0001	0.0008		0.0010	0.0012	0.0009	0.0014	0.0000
a-glycerol-3P_#2-[13C_15N]3	0.0008	0.0005	0.0004	0.0011	0.0036	0.0027	0.0041	0.0045
a-glycerol-3P_#2-ALL	0.0291	0.0560	0.0733	0.0740	0.0903	0.0948	0.1228	0.1073
a-ketoglutarate-[13C_15N]0	0.0001	0.0001	0.0003	0.0003	0.0004	0.0002	0.0002	0.0003
a-ketoglutarate-[13C_15N]1	0.0002	0.0000	0.0002	0.0001	0.0001			
a-ketoglutarate-[13C_15N]2				0.0001	0.0002	0.0000	0.0000	0.0001
a-ketoglutarate-[13C_15N]3	0.0003	0.0002	0.0002	0.0001	0.0000	0.0001	0.0001	0.0002
a-ketoglutarate-[13C_15N]4	0.0002	0.0002	0.0004	0.0003	0.0001	0.0002	0.0003	
a-ketoglutarate-[13C_15N]5	0.0004	0.0003	0.0000	0.0002	0.0002	0.0003	0.0000	0.0001
a-ketoglutarate-ALL	0.0012	0.0008	0.0012	0.0010	0.0010	0.0010	0.0006	0.0006
Ala-[13C_15N]0	0.0158	0.0242	0.0232	0.0230	0.0480	0.0436	0.0538	0.0428
Ala-[13C_15N]1	0.0048	0.0096	0.0053	0.0033	0.0258	0.0314	0.0099	0.0098
Ala-[13C_15N]2	0.0030	0.0056	0.0013	0.0018	0.0147	0.0162	0.0063	0.0052
Ala-[13C_15N]3	0.0080	0.0118	0.0013	0.0008	0.0531	0.0534	0.0086	0.0078
Ala-[13C_15N]4	0.0059	0.0118	0.0003	0.0009	0.0588	0.0672	0.0100	0.0078
Ala-ALL	0.0316	0.0512	0.0310	0.0289	0.1415	0.1446	0.0785	0.0656
Arg-[13C_15N]0	0.0399	0.0866	0.0556	0.1041	0.0858	0.0983	0.0932	0.0875
Arg-[13C_15N]1	0.0150	0.0204	0.0073	0.0023	0.0026	0.0179	0.0208	0.0125
Arg-[13C_15N]2	0.0043		0.0046	0.0033	0.0002	0.0137		
Arg-[13C_15N]3				0.0009	0.0012		0.0053	0.0015
Arg-[13C_15N]4	0.0021	0.0003		0.0006	0.0033	0.0001		0.0011
Arg-[13C_15N]5	0.0048	0.0050	0.0011	0.0037	0.0115	0.0063		0.0054
Arg-[13C_15N]6	0.0039	0.0049		0.0034	0.0026	0.0012	0.0022	
Arg-ALL	0.0700	0.1172	0.0686	0.1183	0.1072	0.1375	0.1216	0.1080
Asn-[13C_15N]0	0.0679	0.1235	0.0712	0.0840	0.3198	0.3614	0.2834	0.2255
Asn-[13C_15N]1	0.0003	0.0038	0.0047	0.0033	0.0124	0.0198	0.0048	0.0051
Asn-[13C_15N]2	0.0000	0.0020				0.0007	0.0045	0.0033
Asn-[13C_15N]3	0.0013	0.0005	0.0013	0.0008		0.0011		0.0010
Asn-[13C_15N]4					0.0009	0.0032	0.0020	0.0002
Asn-ALL	0.0695	0.1298	0.0772	0.0881	0.3330	0.3861	0.2948	0.2351
Asp-[13C_15N]0	0.1029	0.1288	0.2841	0.3523	0.2760	0.2902	0.8651	0.7586
Asp-[13C_15N]1	0.0749	0.1362	0.3375	0.3354	0.3340	0.3695	0.9797	0.8584
Asp-[13C_15N]2	0.1205	0.1652	0.5033	0.4575	0.3565	0.4645	1.2398	0.9829
Asp-[13C_15N]3	0.2053	0.3420	0.5039	0.5465	0.6480	0.6218	1.3642	1.2285
Asp-[13C_15N]4	0.5627	0.8267	1.2337	1.3275	1.7872	2.1164	3.3273	2.5987
Asp-[13C_15N]5	0.4990	0.7218	0.9137	0.9150	1.7423	2.1443	2.5314	2.0208
Asp-ALL	1.5652	2.3206	3.7762	3.9343	5.1440	6.0068	10.3075	8.4478
bOHbutyrate-[13C_15N]0	0.1918	0.2899	0.2225	0.8529	0.1992	0.2461	0.0944	0.3441
bOHbutyrate-[13C_15N]1	3.5450	5.3768	4.7418	15.5464	5.9658	6.0408	8.2385	5.5727
bOHbutyrate-[13C_15N]2	0.4017	0.1518	0.0200	0.4484	0.2926	0.5231		0.3017
bOHbutyrate-[13C_15N]3	0.2014	0.2943	0.3906	0.3593	0.3488	0.1940	0.0437	0.1165
bOHbutyrate-[13C_15N]4		0.0011				0.0543		0.0188
bOHbutyrate-ALL	4.3399	6.1140	5.3750	17.2070	6.8064	7.0584	8.3766	6.3538
c-aconitate-[13C_15N]0	0.0004	0.0002	0.0004	0.0003	0.0006	0.0005	0.0007	0.0004
c-aconitate-[13C_15N]1	0.0001	0.0001		0.0000			0.0001	0.0002
c-aconitate-[13C_15N]2	0.0000	0.0001	0.0000	0.0003	0.0001	0.0001	0.0008	0.0001
c-aconitate-[13C_15N]3	0.0000	0.0000	0.0003	0.0000	0.0002	0.0001	0.0001	0.0002
c-aconitate-[13C_15N]4	0.0001	0.0001	0.0001	0.0001	0.0004	0.0002	0.0003	0.0004
c-aconitate-[13C_15N]5	0.0000					0.0002	0.0002	0.0000
c-aconitate-[13C_15N]6	0.0001	0.0001	0.0001	0.0001	0.0002	0.0000	0.0001	0.0004
c-aconitate-ALL	0.0006	0.0007	0.0009	0.0009	0.0014	0.0010	0.0022	0.0016
citrate-[13C_15N]0	0.0015	0.0022	0.0024	0.0022	0.0070	0.0049	0.0077	0.0051
citrate-[13C_15N]1	0.0004	0.0002	0.0006	0.0002	0.0010	0.0009	0.0027	0.0025
citrate-[13C_15N]2	0.0003	0.0002	0.0009	0.0011	0.0008	0.0015	0.0047	0.0037
citrate-[13C_15N]3	0.0003	0.0008	0.0009	0.0013	0.0020	0.0012	0.0049	0.0046
citrate-[13C_15N]4	0.0016	0.0018	0.0024	0.0023	0.0046	0.0058	0.0097	0.0092
citrate-[13C_15N]5	0.0001	0.0008	0.0007	0.0008	0.0012	0.0019	0.0047	0.0048
citrate-[13C_15N]6	0.0009	0.0007	0.0005	0.0011	0.0023	0.0024	0.0042	0.0023
citrate-ALL	0.0051	0.0067	0.0085	0.0090	0.0189	0.0187	0.0386	0.0322
Cys-[13C_15N]0	0.0105	0.0334	0.0417	0.0506	0.0350	0.0653	0.1433	0.0988
Cys-[13C_15N]1	0.0014		0.0023	0.0038	0.0017	0.0022	0.0004	0.0013
Cys-[13C_15N]2		0.0015	0.0003	0.0027	0.0004	0.0018	0.0039	0.0063
Cys-[13C_15N]3	0.0015	0.0015	0.0020	0.0015	0.0011	0.0021	0.0035	0.0017
Cys-ALL	0.0134	0.0365	0.0463	0.0587	0.0382	0.0714	0.1511	0.1081
fumarate-[13C_15N]0	0.0147	0.0235	0.0292	0.0391	0.0367	0.0305	0.0521	0.0504
fumarate-[13C_15N]1	0.0020	0.0031	0.0047	0.0053	0.0052	0.0023	0.0136	0.0114
fumarate-[13C_15N]2	0.0044	0.0052	0.0074	0.0087	0.0080	0.0089	0.0242	0.0211
fumarate-[13C_15N]3	0.0033	0.0055	0.0071	0.0073	0.0099	0.0108	0.0191	0.0165
fumarate-[13C_15N]4	0.0184	0.0256	0.0252	0.0266	0.0481	0.0569	0.0680	0.0560
fumarate-ALL	0.0429	0.0630	0.0736	0.0870	0.1078	0.1094	0.1770	0.1553
GAB-[13C_15N]0	0.0012	0.0050	0.0070	0.0012	0.0115	0.0138	0.0142	0.0069
GAB-[13C_15N]1	0.0011	0.0054	0.0024	0.0046	0.0029	0.0031	0.0013	0.0023
GAB-[13C_15N]2	0.0294	0.0352	0.0757	0.0950	0.0528	0.0688	0.1881	0.1472
GAB-[13C_15N]3	0.0006	0.0002	0.0001		0.0014	0.0018	0.0007	0.0005
GAB-[13C_15N]4	0.0007	0.0002	0.0002	0.0002	0.0032	0.0007	0.0001	0.0013
GAB-ALL	0.0060	0.0110	0.0112	0.0078	0.0202	0.0220	0.0175	0.0127
Gln-[13C_15N]0	0.0060	0.0087	0.0104	0.0110	0.0134	0.0194	0.0259	0.0065
Gln-[13C_15N]1	0.0047	0.0103	0.0018	0.0062	0.0069	0.0088	0.0096	0.0099
Gln-[13C_15N]2	0.0031		0.0047	0.0005	0.0054	0.0068	0.0020	
Gln-[13C_15N]3		0.0007		0.0003	0.0003		0.0033	
Gln-[13C_15N]4	0.0004		0.0003	0.0009	0.0062	0.0029	0.0029	0.0039
Gln-[13C_15N]5	0.0044	0.0031	0.0029	0.0016	0.0013	0.0117	0.0014	0.0025
Gln-[13C_15N]6	0.0182	0.0280	0.0096	0.0154	0.0550	0.0589	0.0573	0.0391
Gln-[13C_15N]7	0.2541	0.3886	0.1176	0.2228	0.7524	1.0129	0.8525	0.5699
Gln-[13C_15N]8		0.0182	0.0060	0.0005		0.0100		0.0028
Gln-ALL	0.2910	0.4394	0.1473	0.2588	0.8409	1.1214	0.9549	0.6319
Glu-[13C_15N]0	0.0668	0.1098	0.1902	0.1673	0.0959	0.0981	0.2630	0.2733
Glu-[13C_15N]2	0.0543	0.0888	0.1308	0.2158	0.0824	0.0961	0.4082	0.3493
Glu-[13C_15N]3	0.1031	0.1860	0.3185	0.3231	0.2535	0.3039	0.7165	0.5786
Glu-[13C_15N]4	0.1321	0.2002	0.2404	0.2825	0.3071	0.2936	0.6539	0.5934
Glu-[13C_15N]5	0.6869	1.0787	1.0961	1.1003	1.2799	1.4577	1.9342	1.4735
Glu-[13C_15N]6	0.6341	0.9993	0.9791	0.9359	1.4712	1.5724	1.7160	1.3272
Glu-ALL	1.7337	2.7331	3.1049	3.2133	3.5943	3.9568	6.0669	4.8881
Gly-[13C_15N]0	0.4173	0.7014	0.6469	0.7439	1.2762	1.4212	1.4073	1.0655
Gly-[13C_15N]1	0.0229	0.0453	0.0525	0.0702	0.0992	0.1717	0.1456	0.1422
Gly-[13C_15N]2	0.0136	0.0145	0.0410	0.0332	0.0639	0.0847	0.0772	0.0807
Gly-[13C_15N]3								
Gly-ALL	0.4538	0.7613	0.7404	0.8474	1.4393	1.6776	1.6301	1.2884
His-[13C_15N]0								
His-[13C_15N]1								
His-[13C_15N]2								
His-[13C_15N]3								
His-[13C_15N]4								
His-[13C_15N]5								
His-[13C_15N]6								
His-ALL								
Ile-[13C_15N]0	0.0175	0.0361	0.0435	0.0523	0.0442	0.0449	0.0673	0.0532
Ile-[13C_15N]1	0.0142	0.0262	0.0204	0.0187	0.0361	0.0413	0.0405	0.0332
Ile-[13C_15N]2	0.0013	0.0022	0.0027	0.0017	0.0041	0.0034	0.0028	0.0005
Ile-[13C_15N]3			0.0012	0.0007			0.0003	0.0013
Ile-[13C_15N]4	0.0001			0.0005	0.0006		0.0001	0.0000
Ile-[13C_15N]5	0.0007	0.0003	0.0000	0.0004	0.0004	0.0008	0.0001	0.0003
Ile-[13C_15N]6	0.0006	0.0000	0.0002	0.0001	0.0002	0.0008	0.0006	0.0000
Ile-ALL	0.0345	0.0649	0.0680	0.0743	0.0856	0.0912	0.1117	0.0886
lactate-[13C_15N]0	0.9240	1.0255	0.8093	1.2070	1.2291	1.1897	1.2839	0.9843
lactate-[13C_15N]1	0.0106	0.0140	0.0220	0.0096	0.0599	0.0482	0.0209	0.0436
lactate-[13C_15N]2	0.0013	0.0160	0.0162	0.0314	0.0122	0.0038	0.0217	0.0224
lactate-[13C_15N]3	0.0527	0.0576	0.0332	0.0677	0.0640	0.0974	0.0763	0.0530
lactate-ALL	0.9886	1.1131	0.8807	1.3157	1.3653	1.3390	1.4028	1.1033
Leu-[13C_15N]0	0.0249	0.0447	0.0524	0.0552	0.0492	0.0533	0.0804	0.0654
Leu-[13C_15N]1	0.0145	0.0276	0.0208	0.0218	0.0365	0.0386	0.0372	0.0322
Leu-[13C_15N]2	0.0008	0.0011	0.0012	0.0019	0.0017	0.0033	0.0022	0.0016
Leu-[13C_15N]3	0.0004				0.0002	0.0010	0.0015	
Leu-[13C_15N]4	0.0001		0.0002		0.0001		0.0001	0.0003
Leu-[13C_15N]5	0.0003	0.0002	0.0001	0.0001	0.0003	0.0004		0.0001
Leu-[13C_15N]6		0.0002	0.0001	0.0001	0.0001		0.0002	0.0000
Leu-ALL	0.0409	0.0739	0.0748	0.0790	0.0879	0.0967	0.1215	0.0996
Lys-[13C_15N]0	0.7653	0.8954	0.6973	0.6667	0.8930	0.9631	0.6769	0.6260
Lys-[13C_15N]1		0.0109					0.0271	
Lys-[13C_15N]2			0.0073	0.0623				0.0330
Lys-[13C_15N]3	0.0225					0.0074	0.0186	
Lys-[13C_15N]4	0.0035	0.0028	0.0103	0.0006		0.0066		0.0115
Lys-[13C_15N]5		0.0108	0.0207	0.0215	0.0032	0.0110		0.0087
Lys-[13C_15N]6	0.0037	0.0151			0.0047	0.0111	0.0085	0.0169
Lys-ALL	0.7950	0.9349	0.7356	0.7511	0.9010	0.9991	0.7311	0.6962
Malate-[13C_15N]0	0.0081	0.0096	0.0108	0.0109	0.0183	0.0138	0.0217	0.0216
Malate-[13C_15N]1	0.0018	0.0029	0.0045	0.0061	0.0039	0.0050	0.0166	0.0126
Malate-[13C_15N]2	0.0044	0.0078	0.0086	0.0111	0.0127	0.0143	0.0299	0.0230
Malate-[13C_15N]3	0.0053	0.0086	0.0098	0.0092	0.0121	0.0115	0.0203	0.0259
Malate-[13C_15N]4	0.0242	0.0384	0.0322	0.0344	0.0642	0.0714	0.0773	0.0646
Malate-ALL	0.0437	0.0673	0.0659	0.0716	0.1111	0.1161	0.1659	0.1477
Met-[13C_15N]0	0.0100	0.0193	0.0193	0.0208	0.0223	0.0221	0.0362	0.0309
Met-[13C_15N]1	0.0019	0.0020	0.0030	0.0017	0.0037	0.0036	0.0044	0.0020
Met-[13C_15N]2	0.0002	0.0007	0.0013	0.0013	0.0011			0.0000
Met-[13C_15N]3	0.0010	0.0007	0.0021	0.0005	0.0005	0.0025	0.0011	0.0007
Met-[13C_15N]4	0.0008	0.0008	0.0002	0.0008	0.0020	0.0005	0.0027	0.0012
Met-[13C_15N]5	0.0098	0.0191	0.0190	0.0206	0.0219	0.0218	0.0356	0.0306
Met-ALL	0.0237	0.0427	0.0449	0.0458	0.0515	0.0505	0.0799	0.0654
Norleu-ALL								
OHPro-[13C_15N]0	0.0189	0.0392	0.0275	0.0319	0.0841	0.0862	0.0954	0.0774
OHPro-[13C_15N]1	0.0015	0.0010	0.0018	0.0026	0.0047	0.0064	0.0061	0.0048
OHPro-[13C_15N]2	0.0007			0.0008		0.0018	0.0008	0.0019
OHPro-[13C_15N]3		0.0008	0.0009	0.0004	0.0012	0.0015	0.0015	0.0012
OHPro-[13C_15N]4	0.0008	0.0009	0.0015	0.0014	0.0025	0.0031	0.0045	0.0028
OHPro-[13C_15N]5	0.0002	0.0006	0.0013	0.0007	0.0010	0.0014	0.0015	0.0017
OHPro-ALL	0.0222	0.0426	0.0330	0.0377	0.0935	0.1005	0.1097	0.0898
Orn-[13C_15N]0	0.0153	0.0100	0.0247	0.0463	0.0419	0.0189	0.0466	0.0498
Orn-[13C_15N]1	0.0005	0.0050	0.0001		0.0069	0.0123	0.0058	0.0079
Orn-[13C_15N]2	0.0195	0.0109	0.0095	0.0282			0.0012	0.0039
Orn-[13C_15N]3	0.0259	0.0050	0.0125	0.0299	0.0060	0.0195	0.0232	0.0124
Orn-[13C_15N]4			0.0001		0.0013			0.0105
Orn-[13C_15N]5	0.0011	0.0053	0.0019			0.0418	0.0116	
Orn-ALL	0.0622	0.0363	0.0488	0.1044	0.0562	0.0924	0.0884	0.0846
Phe-[13C_15N]0	0.0098	0.0188	0.0223	0.0222	0.0252	0.0317	0.0401	0.0353
Phe-[13C_15N]1	0.0012	0.0020	0.0017	0.0021	0.0023	0.0015	0.0046	0.0038
Phe-[13C_15N]2	0.0000		0.0002	0.0009	0.0004	0.0002	0.0001	0.0007
Phe-[13C_15N]3		0.0001	0.0000					
Phe-[13C_15N]4	0.0000	0.0001	0.0006	0.0003	0.0000	0.0000		
Phe-[13C_15N]5	0.0013	0.0009	0.0013	0.0016	0.0026	0.0027	0.0003	0.0071
Phe-[13C_15N]6	0.0008	0.0012		0.0003			0.0002	
Phe-[13C_15N]7	0.0011	0.0003	0.0008	0.0004	0.0015	0.0020	0.0003	0.0007
Phe-[13C_15N]8	0.0011	0.0010	0.0006	0.0016	0.0011		0.0003	0.0016
Phe-[13C_15N]9	0.0001	0.0041	0.0017	0.0038	0.0035	0.0009	0.0011	0.0003
Phe-ALL	0.0154	0.0286	0.0292	0.0333	0.0366	0.0391	0.0471	0.0494
PO4-ALL								
Pro258-[13C_15N]0	0.0552	0.1004	0.1178	0.1209	0.1792	0.1775	0.1990	0.1710
Pro258-[13C_15N]1	0.0109	0.0204	0.0204	0.0195	0.0340	0.0356	0.0356	0.0242
Pro258-[13C_15N]2	0.0121	0.0234	0.0201	0.0232	0.0387	0.0428	0.0374	0.0344
Pro258-[13C_15N]3	0.0160	0.0276	0.0221	0.0259	0.0544	0.0570	0.0420	0.0302
Pro258-[13C_15N]4	0.0720	0.1103	0.0690	0.0729	0.1991	0.2163	0.1074	0.0854
Pro258-[13C_15N]5	0.0816	0.1240	0.0735	0.0718	0.3292	0.3363	0.0828	0.0785
Pro258-[13C_15N]6	0.1667	0.0098	0.0013	0.0025	0.0301	0.0338	0.0030	0.0005
Pro258-[13C_15N]7		0.0046	0.0007	0.0024	0.0147	0.0131	0.0035	0.0041
Pro258-ALL	0.4144	0.4158	0.3243	0.3367	0.8646	0.8992	0.5072	0.4243
SeMet-ALL								
Ser-[13C_15N]0	0.0496	0.0827	0.0658	0.0718	0.1480	0.1675	0.2342	0.1785
Ser-[13C_15N]1	0.0062	0.0108	0.0112	0.0128	0.0342	0.0371	0.0503	0.0465
Ser-[13C_15N]2	0.0008	0.0035	0.0026	0.0061	0.0109	0.0134	0.0230	0.0144
Ser-[13C_15N]3	0.0028	0.0021	0.0048	0.0025	0.0112	0.0149	0.0198	0.0140
Ser-[13C_15N]4								
Ser-ALL	0.0593	0.0992	0.0844	0.0932	0.2043	0.2328	0.3273	0.2534
Succinate-[13C_15N]0	0.1786	0.1334	0.1367	0.1641	0.3634	0.1565	0.1161	0.1478
Succinate-[13C_15N]1	0.0040	0.0047	0.0046	0.0078	0.0060	0.0067	0.0063	0.0085
Succinate-[13C_15N]2	0.0017	0.0027	0.0043	0.0044	0.0052	0.0049	0.0069	0.0066
Succinate-[13C_15N]3	0.0014	0.0017	0.0005	0.0012	0.0033	0.0015	0.0029	0.0047
Succinate-[13C_15N]4	0.0039	0.0095	0.0064	0.0056	0.0122	0.0178	0.0141	0.0105
Succinate-ALL	0.1895	0.1520	0.1525	0.1832	0.3901	0.1873	0.1463	0.1780
Thr-[13C_15N]0	0.0397	0.0730	0.0591	0.0682	0.1373	0.1419	0.1805	0.1405
Thr-[13C_15N]1	0.0027	0.0024	0.0027	0.0007	0.0038	0.0107		0.0091
Thr-[13C_15N]2	0.0001	0.0022			0.0004	0.0019	0.0026	
Thr-[13C_15N]3		0.0002	0.0002	0.0000				
Thr-[13C_15N]4	0.0002		0.0005	0.0001				
Thr-ALL	0.0427	0.0779	0.0625	0.0690	0.1415	0.1544	0.1831	0.1496
Trp-[13C_15N]0	0.0096	0.0137	0.0122	0.0128	0.0070	0.0118	0.0442	0.0115
Trp-[13C_15N]1	0.0079	0.0374	0.0211	0.0039			0.0080	0.0106
Trp-[13C_15N]2								
Trp-[13C_15N]3								
Trp-[13C_15N]4								
Trp-[13C_15N]5								
Trp-[13C_15N]6								
Trp-[13C_15N]7								
Trp-[13C_15N]8								
Trp-[13C_15N]9								
Trp-ALL	0.0175	0.0511	0.0333	0.0166	0.0070	0.0118	0.0521	0.0220
Tyr-[13C_15N]0	0.0107	0.0219	0.0246	0.0275	0.0301	0.0372	0.0548	0.0451
Tyr-[13C_15N]1	0.0005	0.0018	0.0018	0.0024	0.0023	0.0025	0.0031	0.0026
Tyr-[13C_15N]2	0.0003		0.0000	0.0003	0.0000			0.0007
Tyr-[13C_15N]3			0.0002		0.0005		0.0009	0.0001
Tyr-[13C_15N]4	0.0001	0.0001	0.0001	0.0001		0.0001		0.0001
Tyr-[13C_15N]5	0.0006	0.0003	0.0003	0.0003		0.0005	0.0001	0.0001
Tyr-[13C_15N]6	0.0002	0.0003	0.0000	0.0001	0.0004	0.0000	0.0004	0.0010
Tyr-[13C_15N]7	0.0000	0.0000	0.0001	0.0001	0.0001	0.0001	0.0004	0.0004
Tyr-[13C_15N]8	0.0000		0.0000	0.0000	0.0000			0.0001
Tyr-[13C_15N]9			0.0000		0.0001		0.0001	0.0000
Tyr-ALL	0.0124	0.0245	0.0272	0.0308	0.0336	0.0405	0.0598	0.0500
Val-[13C_15N]0	0.0144	0.0248	0.0299	0.0312	0.0310	0.0329	0.0504	0.0441
Val-[13C_15N]1	0.0051	0.0096	0.0057	0.0076	0.0143	0.0166	0.0133	0.0091
Val-[13C_15N]2	0.0000	0.0007	0.0003		0.0019	0.0010	0.0008	0.0001
Val-[13C_15N]3		0.0000	0.0010					0.0001
Val-[13C_15N]4	0.0002	0.0001			0.0001		0.0005	0.0000
Val-[13C_15N]5	0.0001	0.0006	0.0006	0.0004	0.0000	0.0002	0.0004	0.0003
Val-ALL	0.0199	0.0359	0.0376	0.0392	0.0474	0.0508	0.0653	0.0537
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-[13C,15N]4								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
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-[13C,15N]5								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
c-aconitate-[13C,15N]0								U_Kentucky_isotope
c-aconitate-[13C,15N]1								U_Kentucky_isotope
c-aconitate-[13C,15N]2								U_Kentucky_isotope
c-aconitate-[13C,15N]3								U_Kentucky_isotope
c-aconitate-[13C,15N]4								U_Kentucky_isotope
c-aconitate-[13C,15N]5								U_Kentucky_isotope
c-aconitate-[13C,15N]6								U_Kentucky_isotope
c-aconitate-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-[13C,15N]6								U_Kentucky_isotope
Gln-[13C,15N]7								U_Kentucky_isotope
Gln-[13C,15N]8								U_Kentucky_isotope
Gln-ALL								U_Kentucky_isotope
Glu-[13C,15N]0								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-[13C,15N]6								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-[13C,15N]3								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-[13C,15N]6								U_Kentucky_isotope
Pro258-[13C,15N]7								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-[13C,15N]4								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
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]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