#METABOLOMICS WORKBENCH amitch_20151006_9845301_mwtab.txt DATATRACK_ID:386 STUDY_ID:ST000250 ANALYSIS_ID:AN000395 PROJECT_ID:PR000202
VERSION             	1
CREATED_ON          	2016-09-17
#PROJECT
PR:PROJECT_TITLE                 	The Role of Obesity and Adipocytes in Immune Activation on Antiretroviral
PR:PROJECT_TYPE                  	Clinical research
PR:PROJECT_SUMMARY               	The goal of this study is the use metabolomics to probe the role of BCAA
PR:PROJECT_SUMMARY               	in the apthogenisis of insulin-resistance associated with HIV-infection/ART. We
PR:PROJECT_SUMMARY               	also quantify the plasma levels of 2-HBA in HIV-infected, ART -treated
PR:PROJECT_SUMMARY               	These patients were substratified into obese or lean subjects
PR:INSTITUTE                     	Vanderbilt University
PR:DEPARTMENT                    	Division of Infectious Diseases
PR:LAST_NAME                     	Koethe
PR:FIRST_NAME                    	John
PR:ADDRESS                       	A2200-MCN, 1161 21st Ave South, Nashville, TN  37232-2582
PR:EMAIL                         	john.r.koethe@vanderbilt.edu
PR:PHONE                         	615-343-0533
PR:FUNDING_SOURCE                	National Institute of Allergy and Infectious Diseases
#STUDY
ST:STUDY_TITLE                   	The Role of Obesity and Adipocytes in Immune Activation on Antiretroviral
ST:STUDY_TYPE                    	Observational, no intervention
ST:STUDY_SUMMARY                 	Cross-sectional, three arms
ST:INSTITUTE                     	University of Florida
ST:DEPARTMENT                    	SECIM
ST:LAST_NAME                     	Koethe
ST:FIRST_NAME                    	John
ST:ADDRESS                       	A2200-MCN, 1161 21st Ave South, Nashville, TN  37232-2582
ST:EMAIL                         	john.r.koethe@vanderbilt.edu
ST:PHONE                         	615-343-0533
ST:NUM_GROUPS                    	3
ST:TOTAL_SUBJECTS                	100 patients, one sample per patient
#SUBJECT
SU:SUBJECT_TYPE                  	Human
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           	-	509	HIV status:negative | Obesity:Yes | Sex:F | Race:B	
SUBJECT_SAMPLE_FACTORS           	-	515	HIV status:negative | Obesity:Yes | Sex:F | Race:B	
SUBJECT_SAMPLE_FACTORS           	-	516	HIV status:negative | Obesity:Yes | Sex:F | Race:B	
SUBJECT_SAMPLE_FACTORS           	-	517	HIV status:negative | Obesity:Yes | Sex:F | Race:B	
SUBJECT_SAMPLE_FACTORS           	-	520	HIV status:negative | Obesity:Yes | Sex:F | Race:B	
SUBJECT_SAMPLE_FACTORS           	-	523	HIV status:negative | Obesity:Yes | Sex:F | Race:B	
SUBJECT_SAMPLE_FACTORS           	-	524	HIV status:negative | Obesity:Yes | Sex:F | Race:B	
SUBJECT_SAMPLE_FACTORS           	-	527	HIV status:negative | Obesity:Yes | Sex:F | Race:B	
SUBJECT_SAMPLE_FACTORS           	-	501	HIV status:negative | Obesity:Yes | Sex:F | Race:W	
SUBJECT_SAMPLE_FACTORS           	-	502	HIV status:negative | Obesity:Yes | Sex:F | Race:W	
SUBJECT_SAMPLE_FACTORS           	-	503	HIV status:negative | Obesity:Yes | Sex:F | Race:W	
SUBJECT_SAMPLE_FACTORS           	-	505	HIV status:negative | Obesity:Yes | Sex:F | Race:W	
SUBJECT_SAMPLE_FACTORS           	-	513	HIV status:negative | Obesity:Yes | Sex:F | Race:W	
SUBJECT_SAMPLE_FACTORS           	-	514	HIV status:negative | Obesity:Yes | Sex:F | Race:W	
SUBJECT_SAMPLE_FACTORS           	-	521	HIV status:negative | Obesity:Yes | Sex:F | Race:W	
SUBJECT_SAMPLE_FACTORS           	-	525	HIV status:negative | Obesity:Yes | Sex:F | Race:W	
SUBJECT_SAMPLE_FACTORS           	-	533	HIV status:negative | Obesity:Yes | Sex:F | Race:W	
SUBJECT_SAMPLE_FACTORS           	-	534	HIV status:negative | Obesity:Yes | Sex:F | Race:W	
SUBJECT_SAMPLE_FACTORS           	-	507	HIV status:negative | Obesity:Yes | Sex:M | Race:B	
SUBJECT_SAMPLE_FACTORS           	-	512	HIV status:negative | Obesity:Yes | Sex:M | Race:B	
SUBJECT_SAMPLE_FACTORS           	-	528	HIV status:negative | Obesity:Yes | Sex:M | Race:B	
SUBJECT_SAMPLE_FACTORS           	-	531	HIV status:negative | Obesity:Yes | Sex:M | Race:B	
SUBJECT_SAMPLE_FACTORS           	-	506	HIV status:negative | Obesity:Yes | Sex:M | Race:W	
SUBJECT_SAMPLE_FACTORS           	-	508	HIV status:negative | Obesity:Yes | Sex:M | Race:W	
SUBJECT_SAMPLE_FACTORS           	-	510	HIV status:negative | Obesity:Yes | Sex:M | Race:W	
SUBJECT_SAMPLE_FACTORS           	-	511	HIV status:negative | Obesity:Yes | Sex:M | Race:W	
SUBJECT_SAMPLE_FACTORS           	-	518	HIV status:negative | Obesity:Yes | Sex:M | Race:W	
SUBJECT_SAMPLE_FACTORS           	-	519	HIV status:negative | Obesity:Yes | Sex:M | Race:W	
SUBJECT_SAMPLE_FACTORS           	-	530	HIV status:negative | Obesity:Yes | Sex:M | Race:W	
SUBJECT_SAMPLE_FACTORS           	-	532	HIV status:negative | Obesity:Yes | Sex:M | Race:W	
SUBJECT_SAMPLE_FACTORS           	-	23	HIV status:positive | Obesity:No | Sex:F | Race:B	
SUBJECT_SAMPLE_FACTORS           	-	24	HIV status:positive | Obesity:No | Sex:F | Race:B	
SUBJECT_SAMPLE_FACTORS           	-	3	HIV status:positive | Obesity:No | Sex:F | Race:B	
SUBJECT_SAMPLE_FACTORS           	-	33	HIV status:positive | Obesity:No | Sex:F | Race:B	
SUBJECT_SAMPLE_FACTORS           	-	34	HIV status:positive | Obesity:No | Sex:F | Race:B	
SUBJECT_SAMPLE_FACTORS           	-	37	HIV status:positive | Obesity:No | Sex:F | Race:B	
SUBJECT_SAMPLE_FACTORS           	-	41	HIV status:positive | Obesity:No | Sex:F | Race:B	
SUBJECT_SAMPLE_FACTORS           	-	42	HIV status:positive | Obesity:No | Sex:F | Race:B	
SUBJECT_SAMPLE_FACTORS           	-	58	HIV status:positive | Obesity:No | Sex:F | Race:B	
SUBJECT_SAMPLE_FACTORS           	-	71	HIV status:positive | Obesity:No | Sex:F | Race:B	
SUBJECT_SAMPLE_FACTORS           	-	43	HIV status:positive | Obesity:No | Sex:F | Race:W	
SUBJECT_SAMPLE_FACTORS           	-	55	HIV status:positive | Obesity:No | Sex:F | Race:W	
SUBJECT_SAMPLE_FACTORS           	-	60	HIV status:positive | Obesity:No | Sex:F | Race:W	
SUBJECT_SAMPLE_FACTORS           	-	61	HIV status:positive | Obesity:No | Sex:F | Race:W	
SUBJECT_SAMPLE_FACTORS           	-	13	HIV status:positive | Obesity:No | Sex:M | Race:B	
SUBJECT_SAMPLE_FACTORS           	-	14	HIV status:positive | Obesity:No | Sex:M | Race:B	
SUBJECT_SAMPLE_FACTORS           	-	27	HIV status:positive | Obesity:No | Sex:M | Race:B	
SUBJECT_SAMPLE_FACTORS           	-	30	HIV status:positive | Obesity:No | Sex:M | Race:B	
SUBJECT_SAMPLE_FACTORS           	-	35	HIV status:positive | Obesity:No | Sex:M | Race:B	
SUBJECT_SAMPLE_FACTORS           	-	4	HIV status:positive | Obesity:No | Sex:M | Race:B	
SUBJECT_SAMPLE_FACTORS           	-	1	HIV status:positive | Obesity:No | Sex:M | Race:O	
SUBJECT_SAMPLE_FACTORS           	-	16	HIV status:positive | Obesity:No | Sex:M | Race:W	
SUBJECT_SAMPLE_FACTORS           	-	26	HIV status:positive | Obesity:No | Sex:M | Race:W	
SUBJECT_SAMPLE_FACTORS           	-	31	HIV status:positive | Obesity:No | Sex:M | Race:W	
SUBJECT_SAMPLE_FACTORS           	-	36	HIV status:positive | Obesity:No | Sex:M | Race:W	
SUBJECT_SAMPLE_FACTORS           	-	5	HIV status:positive | Obesity:No | Sex:M | Race:W	
SUBJECT_SAMPLE_FACTORS           	-	54	HIV status:positive | Obesity:No | Sex:M | Race:W	
SUBJECT_SAMPLE_FACTORS           	-	57	HIV status:positive | Obesity:No | Sex:M | Race:W	
SUBJECT_SAMPLE_FACTORS           	-	6	HIV status:positive | Obesity:No | Sex:M | Race:W	
SUBJECT_SAMPLE_FACTORS           	-	67	HIV status:positive | Obesity:No | Sex:M | Race:W	
SUBJECT_SAMPLE_FACTORS           	-	7	HIV status:positive | Obesity:No | Sex:M | Race:W	
SUBJECT_SAMPLE_FACTORS           	-	8	HIV status:positive | Obesity:No | Sex:M | Race:W	
SUBJECT_SAMPLE_FACTORS           	-	10	HIV status:positive | Obesity:Yes | Sex:F | Race:B	
SUBJECT_SAMPLE_FACTORS           	-	15	HIV status:positive | Obesity:Yes | Sex:F | Race:B	
SUBJECT_SAMPLE_FACTORS           	-	17	HIV status:positive | Obesity:Yes | Sex:F | Race:B	
SUBJECT_SAMPLE_FACTORS           	-	20	HIV status:positive | Obesity:Yes | Sex:F | Race:B	
SUBJECT_SAMPLE_FACTORS           	-	25	HIV status:positive | Obesity:Yes | Sex:F | Race:B	
SUBJECT_SAMPLE_FACTORS           	-	32	HIV status:positive | Obesity:Yes | Sex:F | Race:B	
SUBJECT_SAMPLE_FACTORS           	-	56	HIV status:positive | Obesity:Yes | Sex:F | Race:B	
SUBJECT_SAMPLE_FACTORS           	-	62	HIV status:positive | Obesity:Yes | Sex:F | Race:B	
SUBJECT_SAMPLE_FACTORS           	-	64	HIV status:positive | Obesity:Yes | Sex:F | Race:B	
SUBJECT_SAMPLE_FACTORS           	-	69	HIV status:positive | Obesity:Yes | Sex:F | Race:B	
SUBJECT_SAMPLE_FACTORS           	-	74	HIV status:positive | Obesity:Yes | Sex:F | Race:B	
SUBJECT_SAMPLE_FACTORS           	-	77	HIV status:positive | Obesity:Yes | Sex:F | Race:B	
SUBJECT_SAMPLE_FACTORS           	-	22	HIV status:positive | Obesity:Yes | Sex:F | Race:W	
SUBJECT_SAMPLE_FACTORS           	-	45	HIV status:positive | Obesity:Yes | Sex:F | Race:W	
SUBJECT_SAMPLE_FACTORS           	-	52	HIV status:positive | Obesity:Yes | Sex:F | Race:W	
SUBJECT_SAMPLE_FACTORS           	-	66	HIV status:positive | Obesity:Yes | Sex:F | Race:W	
SUBJECT_SAMPLE_FACTORS           	-	12	HIV status:positive | Obesity:Yes | Sex:M | Race:B	
SUBJECT_SAMPLE_FACTORS           	-	39	HIV status:positive | Obesity:Yes | Sex:M | Race:B	
SUBJECT_SAMPLE_FACTORS           	-	44	HIV status:positive | Obesity:Yes | Sex:M | Race:B	
SUBJECT_SAMPLE_FACTORS           	-	48	HIV status:positive | Obesity:Yes | Sex:M | Race:B	
SUBJECT_SAMPLE_FACTORS           	-	63	HIV status:positive | Obesity:Yes | Sex:M | Race:B	
SUBJECT_SAMPLE_FACTORS           	-	65	HIV status:positive | Obesity:Yes | Sex:M | Race:B	
SUBJECT_SAMPLE_FACTORS           	-	75	HIV status:positive | Obesity:Yes | Sex:M | Race:O	
SUBJECT_SAMPLE_FACTORS           	-	76	HIV status:positive | Obesity:Yes | Sex:M | Race:O	
SUBJECT_SAMPLE_FACTORS           	-	80	HIV status:positive | Obesity:Yes | Sex:M | Race:O	
SUBJECT_SAMPLE_FACTORS           	-	11	HIV status:positive | Obesity:Yes | Sex:M | Race:W	
SUBJECT_SAMPLE_FACTORS           	-	19	HIV status:positive | Obesity:Yes | Sex:M | Race:W	
SUBJECT_SAMPLE_FACTORS           	-	28	HIV status:positive | Obesity:Yes | Sex:M | Race:W	
SUBJECT_SAMPLE_FACTORS           	-	40	HIV status:positive | Obesity:Yes | Sex:M | Race:W	
SUBJECT_SAMPLE_FACTORS           	-	46	HIV status:positive | Obesity:Yes | Sex:M | Race:W	
SUBJECT_SAMPLE_FACTORS           	-	47	HIV status:positive | Obesity:Yes | Sex:M | Race:W	
SUBJECT_SAMPLE_FACTORS           	-	49	HIV status:positive | Obesity:Yes | Sex:M | Race:W	
SUBJECT_SAMPLE_FACTORS           	-	50	HIV status:positive | Obesity:Yes | Sex:M | Race:W	
SUBJECT_SAMPLE_FACTORS           	-	59	HIV status:positive | Obesity:Yes | Sex:M | Race:W	
SUBJECT_SAMPLE_FACTORS           	-	72	HIV status:positive | Obesity:Yes | Sex:M | Race:W	
SUBJECT_SAMPLE_FACTORS           	-	78	HIV status:positive | Obesity:Yes | Sex:M | Race:W	
SUBJECT_SAMPLE_FACTORS           	-	79	HIV status:positive | Obesity:Yes | Sex:M | Race:W	
SUBJECT_SAMPLE_FACTORS           	-	9	HIV status:positive | Obesity:Yes | Sex:M | Race:W	
#COLLECTION
CO:COLLECTION_SUMMARY            	-
CO:COLLECTION_PROTOCOL_FILENAME  	Koethe_SECIM_collection.txt
#TREATMENT
TR:TREATMENT_SUMMARY             	-
TR:TREATMENT_PROTOCOL_FILENAME   	Koethe_SECIM_treatments.txt
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	Amino acid|Organic acid|Acylcarnitines
SP:SAMPLEPREP_PROTOCOL_FILENAME  	SB_AA_Assay.pdf;SB_OA_Assay.pdf;SB_Acylcarnitine_Assay.pdf
#CHROMATOGRAPHY
CH:CHROMATOGRAPHY_SUMMARY        	Amino acid|Organic acid|Acylcarnitines
CH:CHROMATOGRAPHY_TYPE           	Reversed phase
MS:INSTRUMENT_NAME               	Thermo Quantiva QQQ
CH:COLUMN_NAME                   	Waters Acquity BEH C18 (100 x 2mm, 1.7um)
CH:METHODS_FILENAME              	SB_AA_Assay.pdf;SB_OA_Assay.pdf;SB_Acylcarnitine_Assay.pdf
#ANALYSIS
AN:ANALYSIS_TYPE                 	MS
AN:LABORATORY_NAME               	Sanford Burnham
AN:DETECTOR_TYPE                 	Triple Quadrupole
#MS
MS:INSTRUMENT_NAME               	Thermo Quantiva QQQ
MS:INSTRUMENT_TYPE               	Triple quadrupole
MS:MS_TYPE                       	ESI
MS:ION_MODE                      	POSITIVE
MS:MS_COMMENTS                   	POSITIVE
MS:MS_COMMENTS                   	Organic Acids
#MS_METABOLITE_DATA
MS_METABOLITE_DATA:UNITS         	uM
MS_METABOLITE_DATA_START
Samples	509	515	516	517	520	523	524	527	501	502	503	505	513	514	521	525	533	534	507	512	528	531	506	508	510	511	518	519	530	532	23	24	3	33	34	37	41	42	58	71	43	55	60	61	13	14	27	30	35	4	1	16	26	31	36	5	54	57	6	67	7	8	10	15	17	20	25	32	56	62	64	69	74	77	22	45	52	66	12	39	44	48	63	65	75	76	80	11	19	28	40	46	47	49	50	59	72	78	79	9
Factors	HIV status:negative | Obesity:Yes | Sex:F | Race:B	HIV status:negative | Obesity:Yes | Sex:F | Race:B	HIV status:negative | Obesity:Yes | Sex:F | Race:B	HIV status:negative | Obesity:Yes | Sex:F | Race:B	HIV status:negative | Obesity:Yes | Sex:F | Race:B	HIV status:negative | Obesity:Yes | Sex:F | Race:B	HIV status:negative | Obesity:Yes | Sex:F | Race:B	HIV status:negative | Obesity:Yes | Sex:F | Race:B	HIV status:negative | Obesity:Yes | Sex:F | Race:W	HIV status:negative | Obesity:Yes | Sex:F | Race:W	HIV status:negative | Obesity:Yes | Sex:F | Race:W	HIV status:negative | Obesity:Yes | Sex:F | Race:W	HIV status:negative | Obesity:Yes | Sex:F | Race:W	HIV status:negative | Obesity:Yes | Sex:F | Race:W	HIV status:negative | Obesity:Yes | Sex:F | Race:W	HIV status:negative | Obesity:Yes | Sex:F | Race:W	HIV status:negative | Obesity:Yes | Sex:F | Race:W	HIV status:negative | Obesity:Yes | Sex:F | Race:W	HIV status:negative | Obesity:Yes | Sex:M | Race:B	HIV status:negative | Obesity:Yes | Sex:M | Race:B	HIV status:negative | Obesity:Yes | Sex:M | Race:B	HIV status:negative | Obesity:Yes | Sex:M | Race:B	HIV status:negative | Obesity:Yes | Sex:M | Race:W	HIV status:negative | Obesity:Yes | Sex:M | Race:W	HIV status:negative | Obesity:Yes | Sex:M | Race:W	HIV status:negative | Obesity:Yes | Sex:M | Race:W	HIV status:negative | Obesity:Yes | Sex:M | Race:W	HIV status:negative | Obesity:Yes | Sex:M | Race:W	HIV status:negative | Obesity:Yes | Sex:M | Race:W	HIV status:negative | Obesity:Yes | Sex:M | Race:W	HIV status:positive | Obesity:No | Sex:F | Race:B	HIV status:positive | Obesity:No | Sex:F | Race:B	HIV status:positive | Obesity:No | Sex:F | Race:B	HIV status:positive | Obesity:No | Sex:F | Race:B	HIV status:positive | Obesity:No | Sex:F | Race:B	HIV status:positive | Obesity:No | Sex:F | Race:B	HIV status:positive | Obesity:No | Sex:F | Race:B	HIV status:positive | Obesity:No | Sex:F | Race:B	HIV status:positive | Obesity:No | Sex:F | Race:B	HIV status:positive | Obesity:No | Sex:F | Race:B	HIV status:positive | Obesity:No | Sex:F | Race:W	HIV status:positive | Obesity:No | Sex:F | Race:W	HIV status:positive | Obesity:No | Sex:F | Race:W	HIV status:positive | Obesity:No | Sex:F | Race:W	HIV status:positive | Obesity:No | Sex:M | Race:B	HIV status:positive | Obesity:No | Sex:M | Race:B	HIV status:positive | Obesity:No | Sex:M | Race:B	HIV status:positive | Obesity:No | Sex:M | Race:B	HIV status:positive | Obesity:No | Sex:M | Race:B	HIV status:positive | Obesity:No | Sex:M | Race:B	HIV status:positive | Obesity:No | Sex:M | Race:O	HIV status:positive | Obesity:No | Sex:M | Race:W	HIV status:positive | Obesity:No | Sex:M | Race:W	HIV status:positive | Obesity:No | Sex:M | Race:W	HIV status:positive | Obesity:No | Sex:M | Race:W	HIV status:positive | Obesity:No | Sex:M | Race:W	HIV status:positive | Obesity:No | Sex:M | Race:W	HIV status:positive | Obesity:No | Sex:M | Race:W	HIV status:positive | Obesity:No | Sex:M | Race:W	HIV status:positive | Obesity:No | Sex:M | Race:W	HIV status:positive | Obesity:No | Sex:M | Race:W	HIV status:positive | Obesity:No | Sex:M | Race:W	HIV status:positive | Obesity:Yes | Sex:F | Race:B	HIV status:positive | Obesity:Yes | Sex:F | Race:B	HIV status:positive | Obesity:Yes | Sex:F | Race:B	HIV status:positive | Obesity:Yes | Sex:F | Race:B	HIV status:positive | Obesity:Yes | Sex:F | Race:B	HIV status:positive | Obesity:Yes | Sex:F | Race:B	HIV status:positive | Obesity:Yes | Sex:F | Race:B	HIV status:positive | Obesity:Yes | Sex:F | Race:B	HIV status:positive | Obesity:Yes | Sex:F | Race:B	HIV status:positive | Obesity:Yes | Sex:F | Race:B	HIV status:positive | Obesity:Yes | Sex:F | Race:B	HIV status:positive | Obesity:Yes | Sex:F | Race:B	HIV status:positive | Obesity:Yes | Sex:F | Race:W	HIV status:positive | Obesity:Yes | Sex:F | Race:W	HIV status:positive | Obesity:Yes | Sex:F | Race:W	HIV status:positive | Obesity:Yes | Sex:F | Race:W	HIV status:positive | Obesity:Yes | Sex:M | Race:B	HIV status:positive | Obesity:Yes | Sex:M | Race:B	HIV status:positive | Obesity:Yes | Sex:M | Race:B	HIV status:positive | Obesity:Yes | Sex:M | Race:B	HIV status:positive | Obesity:Yes | Sex:M | Race:B	HIV status:positive | Obesity:Yes | Sex:M | Race:B	HIV status:positive | Obesity:Yes | Sex:M | Race:O	HIV status:positive | Obesity:Yes | Sex:M | Race:O	HIV status:positive | Obesity:Yes | Sex:M | Race:O	HIV status:positive | Obesity:Yes | Sex:M | Race:W	HIV status:positive | Obesity:Yes | Sex:M | Race:W	HIV status:positive | Obesity:Yes | Sex:M | Race:W	HIV status:positive | Obesity:Yes | Sex:M | Race:W	HIV status:positive | Obesity:Yes | Sex:M | Race:W	HIV status:positive | Obesity:Yes | Sex:M | Race:W	HIV status:positive | Obesity:Yes | Sex:M | Race:W	HIV status:positive | Obesity:Yes | Sex:M | Race:W	HIV status:positive | Obesity:Yes | Sex:M | Race:W	HIV status:positive | Obesity:Yes | Sex:M | Race:W	HIV status:positive | Obesity:Yes | Sex:M | Race:W	HIV status:positive | Obesity:Yes | Sex:M | Race:W	HIV status:positive | Obesity:Yes | Sex:M | Race:W
2-HBA	14.5538	32.9794	30.4782	16.4001	36.3140	33.0966	32.6730	30.6338	30.2021	30.5315	34.2459	25.2607	62.2719	13.2233	34.7410	21.0465	44.1447	26.4765	40.8144	45.4831	52.5894	56.5599	31.1880	37.8480	67.7405	30.0576	28.7841	45.9527	27.5036	37.9261	36.7689	26.6533	34.8456	39.3273	47.2893	57.4490	54.4628	46.2961	138.8199	31.3877	34.4943	33.7857	23.3631	28.3799	22.3858	22.1194	20.2472	18.2119	52.9725	30.5767	61.4088	26.9917	23.6698	76.5597	25.7859	19.3435	27.9940	32.2571	32.0717	23.8556	34.6252	16.0936	33.8189	41.3772	42.1028	151.2076	38.7184	33.3134	21.3706	40.5647	48.3535	18.5577	47.1948	30.8659	21.2053	35.7287	28.1201	69.7861	28.2090	28.7900	19.2289	35.7863	19.1634	46.0642	40.2902	44.1786	61.6578	72.8276	71.7220	45.8283	54.7744	21.9244	48.1818	30.1327	77.9270	70.7281	25.0107	35.1142	24.2775	62.6606
3-HBA	21.2214	173.9456	40.4369	31.5189	53.6245	60.9387	116.0629	33.2915	41.8806	101.4845	84.9296	28.0991	117.7636	36.4144	92.5771	36.7025	140.7271	26.6565	74.2521	39.7023	87.7086	42.6055	45.9199	33.4653	94.9181	31.3689	56.8683	53.7986	31.2060	43.9465	112.6188	46.6170	42.8637	132.3524	138.2728	144.5482	61.8572	159.9814	823.4101	39.8873	178.2771	40.5366	132.7376	33.5269	29.4093	28.9502	24.8347	17.5047	242.2319	54.7083	34.5976	69.5103	30.5357	647.4876	17.5039	31.9159	17.9669	30.4971	31.6923	36.4769	75.3385	14.1139	33.2798	25.3545	133.6659	296.6796	33.5622	23.4812	16.5565	79.6320	142.8508	27.1572	54.3638	65.5300	20.6310	89.4135	37.4204	154.1493	23.9281	55.0307	19.3794	120.1276	21.0962	20.9033	30.8793	30.7139	128.8535	72.6290	66.1284	36.6655	144.5251	31.2609	54.6590	34.8463	119.6528	240.1694	43.5774	153.7091	36.2139	174.4112
a-KG	6.2933	5.6172	4.2901	6.5096	5.5151	4.2888	3.7141	4.0905	9.0184	6.2119	6.0302	7.1199	5.7608	3.7791	2.8730	3.3263	6.2402	4.0944	4.3641	8.5481	4.1740	4.5445	7.1063	5.8309	5.9104	4.8460	5.2934	6.2621	4.1574	4.4067	4.6031	4.6043	4.5762	3.9631	3.5961	5.0596	6.6075	5.9941	20.3629	4.2334	5.9425	4.9541	3.6291	4.7005	4.8959	3.6622	3.6950	3.7137	8.3811	5.8589	5.6609	6.5184	3.0884	6.8315	3.8314	3.3424	2.9229	4.6401	2.8099	3.7383	2.8964	2.4308	4.1741	4.5410	5.0383	8.0251	5.3538	5.0252	5.5770	4.1934	5.3147	3.5057	6.3251	4.6088	3.7016	4.4089	13.7621	4.9069	4.0677	4.3176	5.1777	6.6955	3.1979	3.2217	3.1127	4.5685	5.0196	6.5662	6.2326	4.4868	4.2924	3.8564	8.1844	3.6669	4.5902	3.2937	10.6737	4.1102	7.4447	4.1213
Citrate	86.2083	121.4836	79.4018	78.9649	52.9889	52.6424	79.7077	72.6398	116.5447	79.2272	82.7034	96.5464	107.5754	66.4650	72.6046	55.5406	98.1581	85.3868	56.1036	95.9645	73.2607	52.0390	104.0661	67.0905	90.8517	66.5187	54.6897	56.3490	46.0764	65.2142	100.5348	58.5138	72.1476	69.8196	95.3352	85.1202	85.1214	92.0426	153.5029	76.2948	100.4078	72.4915	102.8828	63.1433	66.7177	54.3440	57.1728	85.4042	76.7509	158.4469	104.6412	126.1187	57.8898	76.2219	71.3676	60.9956	71.7147	83.8939	49.9336	69.0243	65.5714	58.1895	76.6458	79.3630	86.5917	167.9270	99.2604	81.7157	96.9486	87.1966	106.6663	62.3901	131.2653	71.5555	42.6431	93.0980	73.0827	74.9021	76.8627	57.9880	55.1370	89.2709	65.7741	73.1152	54.0474	92.6252	105.5205	89.3846	164.4626	87.0026	86.0353	67.0448	75.0094	69.4207	93.4896	64.3177	182.2419	72.6204	72.2504	144.5366
Fumarate																																																																																																				
Lactate	445.2737	868.8740	813.1973	588.1284	860.0073	721.9418	1008.9239	1114.6395	1983.1051	1109.7317	696.3631	1131.2523	1279.3065	2171.4757	1041.9873	708.0901	750.9551	958.3560	520.2690	1671.4212	743.2601	838.5604	645.5925	1240.9721	759.9592	968.9954	1534.8813	928.0731	825.5870	1056.1624	750.4541	734.1721	1092.8795	581.8580	1066.0372	774.2998	1066.3124	728.8840	1128.2867	661.5929	859.5786	976.6626	1061.5645	754.9659	961.1026	949.0845	660.3577	1341.5666	994.4370	1985.6216	1390.0959	2280.7149	595.3080	755.3174	1184.3169	944.7608	724.2814	1069.5507	747.8961	701.6360	660.7721	1075.2186	771.3396	1166.7469	712.0930	983.3926	860.8953	1268.1908	1224.1120	1018.1697	894.1963	738.6087	1088.7289	804.9159	1519.1611	1076.1022	1167.5110	985.8971	1662.0802	1504.6238	1245.7643	976.6947	806.4458	1136.7136	1037.3528	1330.0876	1110.1382	2023.8889	1466.7101	982.9202	1230.5557	887.5014	1728.2081	844.3526	1107.3253	826.0915	777.9016	737.5671	1925.3720	987.4764
Malate	3.8893	3.2923	2.8876	3.1130	2.8362	2.6830	2.6860	3.1798	4.0281	3.6075	3.1099	2.6815	4.0044	2.0026	2.3010	1.7963	3.1644	2.4240	2.1901	4.0467	2.7732	2.9417	3.3075	2.6114	2.7848	2.2060	2.6497	2.6652	1.8691	2.4651	2.9911	2.5226	2.9363	2.1955	2.7949	3.0244	4.1674	3.0894	7.1198	2.0459	3.6484	4.1269	3.1474	3.4049	2.6483	2.5064	3.4206	2.6373	4.1568	4.9380	3.5478	4.3516	2.1752	3.3314	2.5869	2.0334	2.2643	2.9687	1.7920	2.9420	2.1029	1.6253	2.7743	3.2700	3.0636	4.2921	3.1895	2.5321	2.6606	3.9488	3.7734	1.7200	3.0695	3.5465	2.0079	3.3515	7.9448	2.6845	2.6282	2.6845	2.6189	3.7113	2.2376	2.1513	2.0983	2.8010	2.8540	3.3728	5.3040	2.4261	3.7201	2.1529	4.5580	2.3249	3.4120	2.6447	4.4260	2.3450	3.3021	2.7823
Pyruvate	41.4219	54.6797	66.2439	58.8163	69.4875	67.1314	66.8372	72.8750	167.4256	119.8139	70.6347	113.6327	108.9840	97.8409	93.9701	68.7336	62.1410	92.4403	42.6020	143.6460	49.6007	77.8364	58.0351	135.4338	62.0833	91.5950	130.1073	78.8186	74.5289	87.0424	56.8685	89.1122	116.7507	85.7779	81.7428	89.3589	126.1997	85.1895	87.3800	61.9828	94.4478	77.9700	75.4832	72.0973	143.0343	100.2583	72.0015	87.8608	93.7945	211.9012	171.2377	178.8040	69.5488	58.2294	124.5582	135.2973	80.5411	106.8335	77.0262	72.3278	67.4871	96.7411	74.9800	155.2017	95.9825	92.7295	94.5388	137.4551	108.3338	106.6765	84.2312	110.5483	93.2430	88.4810	135.2974	108.4928	126.0351	132.7101	186.4244	187.6360	118.2205	120.6626	83.6979	154.7460	115.7284	127.9045	100.4693	192.2436	113.8353	104.6630	157.8518	96.9682	170.3654	107.3407	106.1822	86.5004	66.7049	70.8518	179.6999	117.1892
Succinate
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
2-HBA								UFLORIDA_FEATURE
3-HBA				441		C01089		UFLORIDA_FEATURE
a-KG				51		C00026		UFLORIDA_FEATURE
Citrate				311		C00158		UFLORIDA_FEATURE
Fumarate				444972		C00122		UFLORIDA_FEATURE
Lactate				107689		C00186		UFLORIDA_FEATURE
Malate				222656		C00149		UFLORIDA_FEATURE
Pyruvate				1060		C00022		UFLORIDA_FEATURE
Succinate				1110		C00042		UFLORIDA_FEATURE
METABOLITES_END
#END