#METABOLOMICS WORKBENCH araskind_20150605_9622801_mwtab.txt DATATRACK_ID:273 STUDY_ID:ST000176 ANALYSIS_ID:AN000271 PROJECT_ID:PR000148
VERSION             	1
CREATED_ON          	01-15-2019
#PROJECT
PR:PROJECT_TITLE                 	trcp
PR:PROJECT_SUMMARY               	metabolic phenotypes of a clock mutant mouse
PR:INSTITUTE                     	Florida State University
PR:DEPARTMENT                    	Biomedical Sciences
PR:LABORATORY                    	Lee Lab
PR:LAST_NAME                     	Lee
PR:FIRST_NAME                    	Choogon
PR:ADDRESS                       	Tallahassee, FL
PR:EMAIL                         	choogon.lee@med.fsu.edu
PR:PHONE                         	850-645-1478
PR:DOI                           	http://dx.doi.org/10.21228/M8V011
#STUDY
ST:STUDY_TITLE                   	cell and liver metabolomics
ST:STUDY_SUMMARY                 	(Pending) Liver samples were harvested from wt and ko mice. Quadruplicates and
ST:STUDY_SUMMARY                 	triplicates are sent for cells and liver, respectively.
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@umich.edu
ST:PHONE                         	-
#SUBJECT
SU:SUBJECT_TYPE                  	Animal
SU:SUBJECT_SPECIES               	Mus musculus
SU:TAXONOMY_ID                   	10090
SU:SPECIES_GROUP                 	Mammal
#SUBJECT_SAMPLE_FACTORS:         	SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data
SUBJECT_SAMPLE_FACTORS           	SU0004026	S00014600	genotype:background | Type:liver	
SUBJECT_SAMPLE_FACTORS           	SU0004027	S00014601	genotype:background | Type:liver	
SUBJECT_SAMPLE_FACTORS           	SU0004028	S00014602	genotype:background | Type:liver	
SUBJECT_SAMPLE_FACTORS           	SU0004032	S00014606	genotype:background | Type:MFE Cells	
SUBJECT_SAMPLE_FACTORS           	SU0004033	S00014607	genotype:background | Type:MFE Cells	
SUBJECT_SAMPLE_FACTORS           	SU0004034	S00014608	genotype:background | Type:MFE Cells	
SUBJECT_SAMPLE_FACTORS           	SU0004035	S00014609	genotype:background | Type:MFE Cells	
SUBJECT_SAMPLE_FACTORS           	SU0004029	S00014603	genotype:knock-out | Type:liver	
SUBJECT_SAMPLE_FACTORS           	SU0004030	S00014604	genotype:knock-out | Type:liver	
SUBJECT_SAMPLE_FACTORS           	SU0004031	S00014605	genotype:knock-out | Type:liver	
SUBJECT_SAMPLE_FACTORS           	SU0004036	S00014610	genotype:knock-out | Type:MFE Cells	
SUBJECT_SAMPLE_FACTORS           	SU0004037	S00014611	genotype:knock-out | Type:MFE Cells	
SUBJECT_SAMPLE_FACTORS           	SU0004038	S00014612	genotype:knock-out | Type:MFE Cells	
SUBJECT_SAMPLE_FACTORS           	SU0004039	S00014613	genotype:knock-out | Type:MFE Cells	
#COLLECTION
CO:SAMPLE_TYPE                   	Cells
CO:COLLECTION_SUMMARY            	-
#TREATMENT
TR:TREATMENT_SUMMARY             	-
#SAMPLEPREP
SP:SAMPLEPREP_PROTOCOL_FILENAME  	Gly-TCA-nucleotides_analysis_protocol-2015-03-09.docx
SP:SAMPLEPREP_SUMMARY            	-
#CHROMATOGRAPHY
CH:METHODS_ID                    	AQM011
CH:METHODS_FILENAME              	ALPHA_KETO_ACIDS-FULL.M.zip
CH:INSTRUMENT_NAME               	Agilent 7890A
CH:COLUMN_NAME                   	Agilent DB5-MS (30m × 0.25mm, 0.25um)
CH:CHROMATOGRAPHY_TYPE           	GC
#ANALYSIS
AN:LABORATORY_NAME               	MRC2 (University of Michigan)
AN:ANALYSIS_TYPE                 	MS
AN:ACQUISITION_PARAMETERS_FILE   	ALPHA_KETO_ACIDS-FULL.M.zip
#MS
MS:MS_COMMENTS                   	-
MS:INSTRUMENT_NAME               	Agilent 5975C
MS:INSTRUMENT_TYPE               	Single quadrupole
MS:MS_TYPE                       	EI
MS:ION_MODE                      	POSITIVE
#MS_METABOLITE_DATA
MS_METABOLITE_DATA:UNITS         	SUC
MS_METABOLITE_DATA_START
Samples	S00014600	S00014600	S00014600	S00014600	S00014600	S00014600	S00014600	S00014600	S00014600	S00014600	S00014600	S00014600	S00014600	S00014600	S00014600	S00014600	S00014600	S00014601	S00014601	S00014601	S00014601	S00014601	S00014601	S00014601	S00014601	S00014601	S00014601	S00014601	S00014601	S00014601	S00014601	S00014601	S00014601	S00014601	S00014602	S00014602	S00014602	S00014602	S00014602	S00014602	S00014602	S00014602	S00014602	S00014602	S00014602	S00014602	S00014602	S00014602	S00014602	S00014602	S00014602	S00014606	S00014606	S00014606	S00014606	S00014606	S00014606	S00014606	S00014606	S00014606	S00014606	S00014606	S00014606	S00014606	S00014606	S00014606	S00014606	S00014606	S00014607	S00014607	S00014607	S00014607	S00014607	S00014607	S00014607	S00014607	S00014607	S00014607	S00014607	S00014607	S00014607	S00014607	S00014607	S00014607	S00014607	S00014608	S00014608	S00014608	S00014608	S00014608	S00014608	S00014608	S00014608	S00014608	S00014608	S00014608	S00014608	S00014608	S00014608	S00014608	S00014608	S00014608	S00014609	S00014609	S00014609	S00014609	S00014609	S00014609	S00014609	S00014609	S00014609	S00014609	S00014609	S00014609	S00014609	S00014609	S00014609	S00014609	S00014609	S00014603	S00014603	S00014603	S00014603	S00014603	S00014603	S00014603	S00014603	S00014603	S00014603	S00014603	S00014603	S00014603	S00014603	S00014603	S00014603	S00014603	S00014604	S00014604	S00014604	S00014604	S00014604	S00014604	S00014604	S00014604	S00014604	S00014604	S00014604	S00014604	S00014604	S00014604	S00014604	S00014604	S00014604	S00014605	S00014605	S00014605	S00014605	S00014605	S00014605	S00014605	S00014605	S00014605	S00014605	S00014605	S00014605	S00014605	S00014605	S00014605	S00014605	S00014605	S00014610	S00014610	S00014610	S00014610	S00014610	S00014610	S00014610	S00014610	S00014610	S00014610	S00014610	S00014610	S00014610	S00014610	S00014610	S00014610	S00014610	S00014611	S00014611	S00014611	S00014611	S00014611	S00014611	S00014611	S00014611	S00014611	S00014611	S00014611	S00014611	S00014611	S00014611	S00014611	S00014611	S00014611	S00014612	S00014612	S00014612	S00014612	S00014612	S00014612	S00014612	S00014612	S00014612	S00014612	S00014612	S00014612	S00014612	S00014612	S00014612	S00014612	S00014612	S00014613	S00014613	S00014613	S00014613	S00014613	S00014613	S00014613	S00014613	S00014613	S00014613	S00014613	S00014613	S00014613	S00014613	S00014613	S00014613	S00014613
Factors	genotype:background | Type:liver	genotype:background | Type:liver	genotype:background | Type:liver	genotype:background | Type:liver	genotype:background | Type:liver	genotype:background | Type:liver	genotype:background | Type:liver	genotype:background | Type:liver	genotype:background | Type:liver	genotype:background | Type:liver	genotype:background | Type:liver	genotype:background | Type:liver	genotype:background | Type:liver	genotype:background | Type:liver	genotype:background | Type:liver	genotype:background | Type:liver	genotype:background | Type:liver	genotype:background | Type:liver	genotype:background | Type:liver	genotype:background | Type:liver	genotype:background | Type:liver	genotype:background | Type:liver	genotype:background | Type:liver	genotype:background | Type:liver	genotype:background | Type:liver	genotype:background | Type:liver	genotype:background | Type:liver	genotype:background | Type:liver	genotype:background | Type:liver	genotype:background | Type:liver	genotype:background | Type:liver	genotype:background | Type:liver	genotype:background | Type:liver	genotype:background | Type:liver	genotype:background | Type:liver	genotype:background | Type:liver	genotype:background | Type:liver	genotype:background | Type:liver	genotype:background | Type:liver	genotype:background | Type:liver	genotype:background | Type:liver	genotype:background | Type:liver	genotype:background | Type:liver	genotype:background | Type:liver	genotype:background | Type:liver	genotype:background | Type:liver	genotype:background | Type:liver	genotype:background | Type:liver	genotype:background | Type:liver	genotype:background | Type:liver	genotype:background | Type:liver	genotype:background | Type:MFE Cells	genotype:background | Type:MFE Cells	genotype:background | Type:MFE Cells	genotype:background | Type:MFE Cells	genotype:background | Type:MFE Cells	genotype:background | Type:MFE Cells	genotype:background | Type:MFE Cells	genotype:background | Type:MFE Cells	genotype:background | Type:MFE Cells	genotype:background | Type:MFE Cells	genotype:background | Type:MFE Cells	genotype:background | Type:MFE Cells	genotype:background | Type:MFE Cells	genotype:background | Type:MFE Cells	genotype:background | Type:MFE Cells	genotype:background | Type:MFE Cells	genotype:background | Type:MFE Cells	genotype:background | Type:MFE Cells	genotype:background | Type:MFE Cells	genotype:background | Type:MFE Cells	genotype:background | Type:MFE Cells	genotype:background | Type:MFE Cells	genotype:background | Type:MFE Cells	genotype:background | Type:MFE Cells	genotype:background | Type:MFE Cells	genotype:background | Type:MFE Cells	genotype:background | Type:MFE Cells	genotype:background | Type:MFE Cells	genotype:background | Type:MFE Cells	genotype:background | Type:MFE Cells	genotype:background | Type:MFE Cells	genotype:background | Type:MFE Cells	genotype:background | Type:MFE Cells	genotype:background | Type:MFE Cells	genotype:background | Type:MFE Cells	genotype:background | Type:MFE Cells	genotype:background | Type:MFE Cells	genotype:background | Type:MFE Cells	genotype:background | Type:MFE Cells	genotype:background | Type:MFE Cells	genotype:background | Type:MFE Cells	genotype:background | Type:MFE Cells	genotype:background | Type:MFE Cells	genotype:background | Type:MFE Cells	genotype:background | Type:MFE Cells	genotype:background | Type:MFE Cells	genotype:background | Type:MFE Cells	genotype:background | Type:MFE Cells	genotype:background | Type:MFE Cells	genotype:background | Type:MFE Cells	genotype:background | Type:MFE Cells	genotype:background | Type:MFE Cells	genotype:background | Type:MFE Cells	genotype:background | Type:MFE Cells	genotype:background | Type:MFE Cells	genotype:background | Type:MFE Cells	genotype:background | Type:MFE Cells	genotype:background | Type:MFE Cells	genotype:background | Type:MFE Cells	genotype:background | Type:MFE Cells	genotype:background | Type:MFE Cells	genotype:background | Type:MFE Cells	genotype:background | Type:MFE Cells	genotype:background | Type:MFE Cells	genotype:background | Type:MFE Cells	genotype:background | Type:MFE Cells	genotype:background | Type:MFE Cells	genotype:background | Type:MFE Cells	genotype:knock-out | Type:liver	genotype:knock-out | Type:liver	genotype:knock-out | Type:liver	genotype:knock-out | Type:liver	genotype:knock-out | Type:liver	genotype:knock-out | Type:liver	genotype:knock-out | Type:liver	genotype:knock-out | Type:liver	genotype:knock-out | Type:liver	genotype:knock-out | Type:liver	genotype:knock-out | Type:liver	genotype:knock-out | Type:liver	genotype:knock-out | Type:liver	genotype:knock-out | Type:liver	genotype:knock-out | Type:liver	genotype:knock-out | Type:liver	genotype:knock-out | Type:liver	genotype:knock-out | Type:liver	genotype:knock-out | Type:liver	genotype:knock-out | Type:liver	genotype:knock-out | Type:liver	genotype:knock-out | Type:liver	genotype:knock-out | Type:liver	genotype:knock-out | Type:liver	genotype:knock-out | Type:liver	genotype:knock-out | Type:liver	genotype:knock-out | Type:liver	genotype:knock-out | Type:liver	genotype:knock-out | Type:liver	genotype:knock-out | Type:liver	genotype:knock-out | Type:liver	genotype:knock-out | Type:liver	genotype:knock-out | Type:liver	genotype:knock-out | Type:liver	genotype:knock-out | Type:liver	genotype:knock-out | Type:liver	genotype:knock-out | Type:liver	genotype:knock-out | Type:liver	genotype:knock-out | Type:liver	genotype:knock-out | Type:liver	genotype:knock-out | Type:liver	genotype:knock-out | Type:liver	genotype:knock-out | Type:liver	genotype:knock-out | Type:liver	genotype:knock-out | Type:liver	genotype:knock-out | Type:liver	genotype:knock-out | Type:liver	genotype:knock-out | Type:liver	genotype:knock-out | Type:liver	genotype:knock-out | Type:liver	genotype:knock-out | Type:liver	genotype:knock-out | Type:MFE Cells	genotype:knock-out | Type:MFE Cells	genotype:knock-out | Type:MFE Cells	genotype:knock-out | Type:MFE Cells	genotype:knock-out | Type:MFE Cells	genotype:knock-out | Type:MFE Cells	genotype:knock-out | Type:MFE Cells	genotype:knock-out | Type:MFE Cells	genotype:knock-out | Type:MFE Cells	genotype:knock-out | Type:MFE Cells	genotype:knock-out | Type:MFE Cells	genotype:knock-out | Type:MFE Cells	genotype:knock-out | Type:MFE Cells	genotype:knock-out | Type:MFE Cells	genotype:knock-out | Type:MFE Cells	genotype:knock-out | Type:MFE Cells	genotype:knock-out | Type:MFE Cells	genotype:knock-out | Type:MFE Cells	genotype:knock-out | Type:MFE Cells	genotype:knock-out | Type:MFE Cells	genotype:knock-out | Type:MFE Cells	genotype:knock-out | Type:MFE Cells	genotype:knock-out | Type:MFE Cells	genotype:knock-out | Type:MFE Cells	genotype:knock-out | Type:MFE Cells	genotype:knock-out | Type:MFE Cells	genotype:knock-out | Type:MFE Cells	genotype:knock-out | Type:MFE Cells	genotype:knock-out | Type:MFE Cells	genotype:knock-out | Type:MFE Cells	genotype:knock-out | Type:MFE Cells	genotype:knock-out | Type:MFE Cells	genotype:knock-out | Type:MFE Cells	genotype:knock-out | Type:MFE Cells	genotype:knock-out | Type:MFE Cells	genotype:knock-out | Type:MFE Cells	genotype:knock-out | Type:MFE Cells	genotype:knock-out | Type:MFE Cells	genotype:knock-out | Type:MFE Cells	genotype:knock-out | Type:MFE Cells	genotype:knock-out | Type:MFE Cells	genotype:knock-out | Type:MFE Cells	genotype:knock-out | Type:MFE Cells	genotype:knock-out | Type:MFE Cells	genotype:knock-out | Type:MFE Cells	genotype:knock-out | Type:MFE Cells	genotype:knock-out | Type:MFE Cells	genotype:knock-out | Type:MFE Cells	genotype:knock-out | Type:MFE Cells	genotype:knock-out | Type:MFE Cells	genotype:knock-out | Type:MFE Cells	genotype:knock-out | Type:MFE Cells	genotype:knock-out | Type:MFE Cells	genotype:knock-out | Type:MFE Cells	genotype:knock-out | Type:MFE Cells	genotype:knock-out | Type:MFE Cells	genotype:knock-out | Type:MFE Cells	genotype:knock-out | Type:MFE Cells	genotype:knock-out | Type:MFE Cells	genotype:knock-out | Type:MFE Cells	genotype:knock-out | Type:MFE Cells	genotype:knock-out | Type:MFE Cells	genotype:knock-out | Type:MFE Cells	genotype:knock-out | Type:MFE Cells	genotype:knock-out | Type:MFE Cells	genotype:knock-out | Type:MFE Cells	genotype:knock-out | Type:MFE Cells	genotype:knock-out | Type:MFE Cells	
2 or 3-phosphoglycerate	3.3750	2.6886	2.7026	1.1310	0.6546	0.7770	0.7355	4.2241	8.4486	4.8191	0.3566	0.3448	0.3581	0.3026
6-phosphogluconate	9.9619	9.1336	10.2890	0.7291	0.6231	0.3099	0.8556	14.4604	9.7777	17.4474	0.3878	0.3200	0.4853	0.2620
acetyl-coa	2.2952	1.1871	1.1749	0.0166	0.0234	0.0137	0.0172	0.5009	0.6267	0.7051	0.0048	0.0125	0.0064	0.0143
adenosine diphosphate	38.7268	34.9319	48.1097	6.5977	5.6402	4.6327	5.2377	32.4959	31.6910	34.7153	3.7995	3.7206	4.0165	3.1347
adenosine monophosphate	15335.9372	16088.4845	15339.4135	98.3611	59.2677	63.6334	65.0032	1682.3848	1209.6122	1665.7820	48.3663	48.1497	44.7888	39.0306
adenosine triphosphate	5.5533	4.4062	5.1210	7.5004	7.9436	4.5756	5.6072	5.3737	8.4641	6.0155	4.6461	5.1516	5.4112	4.0068
citrate or isocitrate	140.6182	345.6941	391.7658	10.5141	7.5351	8.2411	8.1638	381.5142	289.5899	588.3109	14.7735	13.7934	13.9790	13.0762
flavin adenine dinucleotide	76.7413	80.3526	92.5883	0.0751	0.0496	0.0520	0.0573	60.8838	44.6274	78.6284	0.0428	0.0405	0.0470	0.0461
fructose 1_6-bisphosphate	12.4260	8.5629	9.5887	32.2164	32.1044	20.6863	23.7126	13.5303	5.9714	5.1211	12.3090	12.5809	10.2809	9.2757
glucose 6-phosphate or fructose-6-phosphate	950.8926	919.9624	223.0251	33.5144	21.5649	23.9312	24.1882	471.0498	279.6316	522.0208	19.2890	19.9573	19.1622	18.0711
malate	928.8443	1140.6890	1069.3088	13.1866	11.2499	11.5625	11.8185	1119.7997	1044.1767	878.3906	7.9177	7.6852	8.1585	8.1721
nicotinamide adenine dinucleotide oxidized	24.7310	23.0387	28.1770	0.5546	0.6750	0.6038	0.6361	16.8331	13.5813	19.1031	0.4183	0.4297	0.4453	0.4823
nicotinamide adenine dinucleotide phosphate oxidized	5.3919	3.4386	6.7161	0.7299	0.6937	0.6547	0.6557	2.9527	4.1969	4.2237	0.3737	0.4499	0.3922	0.4602
nicotinamide adenine dinucleotide phosphate reduced	10.2042	2.0339	7.6384	1.2268		0.0511	0.0695	0.7407	5.1551	7.5003		0.1350		0.0601
nicotinamide adenine dinucleotide reduced	26.1559	16.7157	33.3147	0.0170	0.0057	0.0082	0.0107	16.1374	11.6041	21.2892	0.0072			0.0056
phosphoenolpyruvate	0.5493		1.7805					1.9719	6.8948	2.5286			0.0509	
sucrose	1062.3703	1529.9088	1548.6423	7.6333	3.8523	4.1837	4.6011	222.2145	386.7444	281.0897	4.9525	5.2745	4.3699	3.4048
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name	pubchem_id	inchi_key	kegg_id	other_id	other_id_type	ri	ri_type	moverz_quant	
2 or 3-phosphoglycerate	724		C00597	2PG/3PG	UFLORIDA_Lee_Lab				
6-phosphogluconate	91493		C00345	6PG	UFLORIDA_Lee_Lab				
acetyl-coa	444493		C00024	aCoA	UFLORIDA_Lee_Lab				
adenosine diphosphate	6022		C00008	ADP	UFLORIDA_Lee_Lab				
adenosine monophosphate	6083		C00020	AMP	UFLORIDA_Lee_Lab				
adenosine triphosphate	5957		C00002	ATP	UFLORIDA_Lee_Lab				
citrate or isocitrate	311		C00158	CIT/ICIT	UFLORIDA_Lee_Lab				
flavin adenine dinucleotide	643975		C00016	FAD	UFLORIDA_Lee_Lab				
fructose 1,6-bisphosphate	172313		C00354	FBP	UFLORIDA_Lee_Lab				
glucose 6-phosphate or fructose-6-phosphate	5958		C00092	G6P/F6P	UFLORIDA_Lee_Lab				
malate	222656		C00149	MAL	UFLORIDA_Lee_Lab				
nicotinamide adenine dinucleotide oxidized	10897651		C00003	NAD	UFLORIDA_Lee_Lab				
nicotinamide adenine dinucleotide phosphate oxidized	5886		C00006	NADP	UFLORIDA_Lee_Lab				
nicotinamide adenine dinucleotide phosphate reduced	5886		C00006	NADPH	UFLORIDA_Lee_Lab				
nicotinamide adenine dinucleotide reduced	439153		C00004	NADH	UFLORIDA_Lee_Lab				
phosphoenolpyruvate	1005		C00074	PEP	UFLORIDA_Lee_Lab				
sucrose	5988		C00089	SUC	UFLORIDA_Lee_Lab				
METABOLITES_END
#END