#METABOLOMICS WORKBENCH araskind_20170802_184646 DATATRACK_ID:1187 STUDY_ID:ST000836 ANALYSIS_ID:AN001338 PROJECT_ID:PR000596
VERSION             	1
CREATED_ON             	August 9, 2017, 9:52 am
#PROJECT
PR:PROJECT_TITLE                 	Lean Obese Human Glucose Metabolism
PR:PROJECT_TYPE                  	MS analysis
PR:PROJECT_SUMMARY               	Lean and obese skeletal muscle TCA plus response to OGTT
PR:INSTITUTE                     	Ohio University
PR:DEPARTMENT                    	Biomedical Sciences
PR:LABORATORY                    	Consitt Lab
PR:LAST_NAME                     	Consitt
PR:FIRST_NAME                    	Leslie
PR:ADDRESS                       	Athens, Ohio
PR:EMAIL                         	consitt@ohio.edu
PR:PHONE                         	252-367-9228
#STUDY
ST:STUDY_TITLE                   	Pilot Human Muscle oral glucose tolerance test (OGTT)
ST:STUDY_TYPE                    	MS analysis
ST:STUDY_SUMMARY                 	Obesity is associated with metabolic inflexibility, the inability to switch from
ST:STUDY_SUMMARY                 	lipid to glucose oxidation during physiological conditions favoring excess
ST:STUDY_SUMMARY                 	glucose and insulin, which could contribute to the increased incidence of type 2
ST:STUDY_SUMMARY                 	diabetes. Despite this knowledge, the role of skeletal muscle metabolites during
ST:STUDY_SUMMARY                 	these physiological conditions remain unclear and warrant further investigation.
ST:STUDY_SUMMARY                 	The purpose of this pilot study is to determine if: 1) there are differences in
ST:STUDY_SUMMARY                 	skeletal muscle glycolysis and TCA metabolites and amino acids between lean and
ST:STUDY_SUMMARY                 	obese individuals in the fasted state, and 2) if these metabolites change after
ST:STUDY_SUMMARY                 	50 min of glucose ingestion, and 3) if there are differences in these
ST:STUDY_SUMMARY                 	metabolites between lean and obese individuals after 50 min of glucose
ST:STUDY_SUMMARY                 	ingestion.
ST:INSTITUTE                     	University of Michigan
ST:DEPARTMENT                    	Biomedical Research Core Facilities
ST:LABORATORY                    	Metabolomics core
ST:LAST_NAME                     	Kachman
ST:FIRST_NAME                    	Maureen
ST:ADDRESS                       	6300 Brehm Tower, 1000 Wall Street, Ann Arbor, MI 48105-5714
ST:EMAIL                         	mkachman@med.umich.edu
ST:PHONE                         	(734) 232-8175
ST:NUM_GROUPS                    	5
ST:TOTAL_SUBJECTS                	6
#SUBJECT
SU:SUBJECT_TYPE                  	HUMAN
SU:SUBJECT_SPECIES               	Homo sapiens
SU:TAXONOMY_ID                   	9606
#SUBJECT_SAMPLE_FACTORS:         	SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data
SUBJECT_SAMPLE_FACTORS           	SU0019613	S00028061	Body Comp:Lean | Gender:Female | Timepoint:Baseline	
SUBJECT_SAMPLE_FACTORS           	SU0019613	S00028062	Body Comp:Lean | Gender:Female | Timepoint:50min	
SUBJECT_SAMPLE_FACTORS           	SU0019614	S00028063	Body Comp:Lean | Gender:Female | Timepoint:Baseline	
SUBJECT_SAMPLE_FACTORS           	SU0019614	S00028064	Body Comp:Lean | Gender:Female | Timepoint:50min	
SUBJECT_SAMPLE_FACTORS           	SU0019615	S00028065	Body Comp:Obese | Gender:Female | Timepoint:Baseline	
SUBJECT_SAMPLE_FACTORS           	SU0019615	S00028066	Body Comp:Obese | Gender:Female | Timepoint:50min	
SUBJECT_SAMPLE_FACTORS           	SU0019616	S00028067	Body Comp:Obese | Gender:Female | Timepoint:Baseline	
SUBJECT_SAMPLE_FACTORS           	SU0019616	S00028068	Body Comp:Obese | Gender:Female | Timepoint:50min	
SUBJECT_SAMPLE_FACTORS           	SU0019617	S00028069	Body Comp:Lean | Gender:Female | Timepoint:Baseline	
SUBJECT_SAMPLE_FACTORS           	SU0019618	S00028070	Body Comp:Obese | Gender:Female | Timepoint:Baseline	
#COLLECTION
CO:COLLECTION_SUMMARY            	-
#TREATMENT
TR:TREATMENT_SUMMARY             	-
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	-
SP:SAMPLEPREP_PROTOCOL_FILENAME  	A043-TCA-Plus-20170713.pdf
#CHROMATOGRAPHY
CH:CHROMATOGRAPHY_TYPE           	HILIC
CH:INSTRUMENT_NAME               	Agilent
CH:COLUMN_NAME                   	Phenomenex Luna NH2 (150 x 1mm, 3um)
#ANALYSIS
AN:ANALYSIS_TYPE                 	MS
AN:ANALYSIS_PROTOCOL_FILE        	A043-TCA-Plus-20170713.pdf
#MS
MS:MS_COMMENTS                   	-
MS:INSTRUMENT_NAME               	Agilent 6520B QTOF
MS:INSTRUMENT_TYPE               	QTOF
MS:MS_TYPE                       	ESI
MS:ION_MODE                      	NEGATIVE
#MS_METABOLITE_DATA
MS_METABOLITE_DATA:UNITS         	ISTD response ratio
MS_METABOLITE_DATA_START
Samples	S00028061	S00028062	S00028063	S00028064	S00028065	S00028066	S00028067	S00028068	S00028069	S00028070
Factors	Body Comp:Lean | Gender:Female | Timepoint:Baseline	Body Comp:Lean | Gender:Female | Timepoint:50min	Body Comp:Lean | Gender:Female | Timepoint:Baseline	Body Comp:Lean | Gender:Female | Timepoint:50min	Body Comp:Obese | Gender:Female | Timepoint:Baseline	Body Comp:Obese | Gender:Female | Timepoint:50min	Body Comp:Obese | Gender:Female | Timepoint:Baseline	Body Comp:Obese | Gender:Female | Timepoint:50min	Body Comp:Lean | Gender:Female | Timepoint:Baseline	Body Comp:Obese | Gender:Female | Timepoint:Baseline
TAURINE	188.2335352	192.9139946	206.9950468	1614.05951	225.979898	188.413882	341.4552921	60.18863913	639.7157366	41.75064971
XANTHINE	.054595186	.036901457	.059394569	.340199061	.086866035	.029250051	.028827643	.031836352	.058319323	
GLUTATHIONE	15.31756263	13.94449356	20.5226926	137.2493669	18.0628466	16.04414899	11.20842885	7.836216498	42.31064712	32.76563379
2'-DEOXYURIDINE		.010423362								
L-PROLINE	33.43955639	41.85807117	26.61917626	238.6893828	33.76086883	25.52582285	51.82502383	35.8837258	61.53273659	6.230283677
UDP-GLUCURONIC ACID	.050225602	.043207065	.002319289	.510968726	.014460432	.003905616	.027202658	.007459916	.062742378	.008476546
L-GLUTAMIC ACID	21.17762878	24.71218188	23.42526063	237.8035332	28.03927402	24.83200004	9.191452813	12.73688951	57.4433383	24.05450158
N-ACETYL-D-GLUCOSAMINE 1-PHOSPHATE	.096013138	.099081091	.050840409	.37207764	.086210472	.049569535	.075556602	.024020031	.087248841	.03727909
OLEIC ACID	17.5191328	17.78068559	12.66171135	97.01471145	26.40510165	13.34948782	26.62043692	80.40156704	34.36145676	4.237667115
UDP-N-ACETYLGLUCOSAMINE	.452568233	.499474307	.701251363	6.804246836	.877786949	1.148482717	1.396253465	.837341613	1.436335291	1.068699321
STEARIC ACID	23.92524796	29.4836343	18.46377666	131.7128315	27.40671324	21.82047691	27.88941147	98.97446991	54.60490517	.761418101
UDPGLUCOSE	.257420082	.273363535	.447442349	2.868293701	.563832982	.538790655	.750447401	.635971335	.619294257	.656184586
CREATINE	38.84033806	45.18953357	39.81278623	69.82668275	23.6128172	23.12171179	28.61203252	37.86116052	99.15384352	13.13022523
CREATININE	382.3832082	473.1432515	501.6922085	909.7899483	362.8574975	304.1324559	484.8133157	648.1118585	1838.30938	91.93630811
L-ALANINE	17.54826147	15.88685361								
L-ASPARTIC ACID	.922538055	.766520875	.465518761	4.225696216	.919548602	1.761385513	1.920448586	1.879693865	1.34120147	.301399885
L-GLUTAMINE	279.9853009	294.4029107	198.0795947	1534.715464	167.7554672	130.3599327	391.6402093	287.7261669	371.7817065	33.52561426
L-LYSINE	2.359734946	2.767003472	5.612205855	64.10545094	7.240511831	5.951999694	3.056845692	1.841877126	13.71483359	12.94792367
INOSINE	8.211360659	16.7090014	6.037366735	24.27972868	34.57114439	9.26974341	47.34227868	17.64179468	8.550440472	5.298036262
URIDINE 5'-DIPHOSPHATE	.033336973	.106740481	.01592963	.031454008	.324116346	.03279568	.077720775	.01615884	.056740225	.165430794
URIDINE 5'-TRIPHOSPHATE	.034647713	.028089956	.644844527	5.504999037	.051312747	.80247626	1.558929852	2.291798561	1.400641646	1.074084451
L-METHIONINE	.883733665	1.037977769	1.24234729	10.21675261	2.061558112	1.238918582	2.727630935	1.876320459	3.10981347	.454583341
L-PHENYLALANINE	3.793253292	3.931891364	4.098300982	28.16474575	7.971535822	5.160945742	9.97106581	7.744559062	11.00172711	2.192637645
DL-SERINE				21.42544994	1.508413753	1.250001804				
L-ORNITHINE										.015637867
L-ASPARAGINE	3.449927316	3.365413528	2.267450227	18.00155466	1.789270208	1.675270994	5.568543498	4.016174119	4.750710338	.348718515
L-HISTIDINE	1.203500576	1.213758324	1.669825399	10.67426175	1.806132981	1.142890637	2.494823725	1.974553485	2.373609308	.571905767
L-VALINE	180.1869354	221.5151727	177.8417262	965.687765	184.9198225	130.2483288	290.6522536	361.3283874	418.2147653	41.30830438
L-THREONINE	9.473019499	13.61521187	15.79679129	125.8158848	17.48922709	14.94004806	26.45571582	17.94123151	19.72563354	2.0186192
L-ISOLEUCINE	4.980459729	5.05422909	6.525290153	7.478768379	18.85281762	12.37558642	26.39445949	71.41287326	35.40333643	1.858360303
L-ARGININE	.328487424	.382928256	.100598259	.519609223	.336658484	.223886653	.653789896	.420653325	.311259784	
D-PANTOTHENIC ACID	13.76533226	12.34961164	9.565434689	83.01371146	10.22213583	9.553514594	13.71406955	17.13118159	18.84649765	2.262211849
DIHYDROXYACETONE PHOSPHATE						.040851988			.045183511	
5'-GUANYLIC ACID	.008776045	.002282746	.007513515	.013121367	.013498135	.013697501	.252409072		.007559282	.041880707
O-PHOSPHO-L-SERINE	.621418416	.616976121	.569976182	6.787884825	.618771422	.565906818	.262081916	.269228756	1.655195531	.798291791
3-GLYCEROPHOSPHATE	6.789696826	9.151736067	8.906132774	61.47182733	26.76626336	22.48454344	8.578654201	13.83742313	23.6306309	27.45729807
INOSINIC ACID	20.12119308	30.24026457	38.58254192	83.09861737	60.25398947	36.47559056	116.2286323	53.31621879	46.01683094	58.01721597
GUANOSINE DIPHOSPHATE				.013667461			.005066747	.00641848	.002785589	.002593525
PHOSPHOCREATINE	.499009427	.658333412	1.231531084	5.563425801	.791930361	1.375813158	.21356284	.63496009	4.34813423	2.292190918
L-GLUTATHIONE (OXIDIZED)	4.328772627	4.550442531	7.662513746	89.39048282	9.27414308	12.84907736	8.903217665	26.37420234	11.36854639	12.72149549
PALMITIC ACID	27.21992666	30.84128233	17.96105751	147.5080715	25.05225963	19.22857608	27.86784996	96.9410328	47.93938167	3.959335057
PC(34:2)	1.845639726	2.879298582	1.13186288	3.016870661	.091875766	.656919747	.296531636	.477057647	.109629117	.436052479
PE(18:2_20:4)	.288154106	.035817226	.265212498	.137463281	.079425285	.038498816	.126032213	.134775826	.012360392	.003063829
PI(38:4)	17.96586531	17.87256615	5.829617656	23.70390047	3.772339248	3.321034336	6.388477865	31.53753872	9.651295441	.233800177
PS(38:4)	2.100533272	1.964007895	.045244964	.210793046	.75007665	.465894358	.83060303	.638470683	1.423414581	.110028487
PS(40:6)	4.510636676	4.107655838	.768250719	2.503893277	.030273498	.029755606	.059276481	.341264757	2.1121747	.057121291
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
TAURINE				1123
XANTHINE				1188
GLUTATHIONE				124886
2'-DEOXYURIDINE				13712
L-PROLINE				145742
UDP-GLUCURONIC ACID				17473
L-GLUTAMIC ACID				33032
N-ACETYL-D-GLUCOSAMINE 1-PHOSPHATE				440272
OLEIC ACID				445639
UDP-N-ACETYLGLUCOSAMINE				445675
STEARIC ACID				5281
UDPGLUCOSE				53477679
CREATINE				586
CREATININE				588
L-ALANINE				5950
L-ASPARTIC ACID				5960
L-GLUTAMINE				5961
L-LYSINE				5962
INOSINE				6021
URIDINE 5'-DIPHOSPHATE				6031
URIDINE 5'-TRIPHOSPHATE				6133
L-METHIONINE				6137
L-PHENYLALANINE				6140
DL-SERINE				617
L-ORNITHINE				6262
L-ASPARAGINE				6267
L-HISTIDINE				6274
L-VALINE				6287
L-THREONINE				6288
L-ISOLEUCINE				6306
L-ARGININE				6322
D-PANTOTHENIC ACID				6613
DIHYDROXYACETONE PHOSPHATE				668
5'-GUANYLIC ACID				6804
O-PHOSPHO-L-SERINE				68841
3-GLYCEROPHOSPHATE				754
INOSINIC ACID				8582
GUANOSINE DIPHOSPHATE				8977
PHOSPHOCREATINE				9548602
L-GLUTATHIONE (OXIDIZED)				975
PALMITIC ACID				985
PC(34:2)							PC(34:2)	REFMET
PE(18:2_20:4)							PE(18:2_20:4)	REFMET
PI(38:4)							PI(38:4)	REFMET
PS(38:4)							PS(38:4)	REFMET
PS(40:6)							PS(40:6)	REFMET
METABOLITES_END
#END