#METABOLOMICS WORKBENCH TEXT OUTPUT STUDY_ID:	ANALYSIS_ID:	
VERSION             	1
CREATED_ON          	2017-08-02
#PROJECT
PR:PROJECT_TITLE    	Obesity and marrow and MAT metabolomics Studies
PR:PROJECT_TYPE     	MS analysis
PR:PROJECT_SUMMARY  	MAT and bone marrow collected to evaluate lipid content/lipid type.  In addition, marrow evaluations for glycolysis/TCA cycle and acylcarnitines will be performed.
PR:INSTITUTE        	University of Michigan
PR:DEPARTMENT       	Pedatric Endocrinology
PR:LABORATORY       	Singer Lab
PR:LAST_NAME        	Singer
PR:FIRST_NAME       	Kanakadurga
PR:ADDRESS          	Ann Arbor, MI
PR:EMAIL            	ksinger@umich.edu
PR:PHONE            	734-764-5175
PR:FUNDING_SOURCE   	
PR:PROJECT_COMMENTS 	
PR:PUBLICATIONS     	
#STUDY
ST:STUDY_TITLE      	Obesity and marrow and marrow adipose tissue (MAT) metabolomics
ST:STUDY_TYPE       	MS analysis
ST:STUDY_SUMMARY    	Male C57Bl6j mice were fed HFD for 16-20 weeks and marrow adipose tissue (MAT) and bone marrow collected to evaluate lipid content/lipid type. In addition, marrow evaluations for glycolysis/TCA cycle and acylcarnitines will be performed.
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:SUBMIT_DATE      	02/16/2017 03:23:43 PM
ST:NUM_GROUPS       	4
ST:TOTAL_SUBJECTS   	6
ST:STUDY_COMMENTS   	
#SUBJECT
SU:SUBJECT_TYPE                   	MOUSE
SU:SUBJECT_SPECIES                	Mus musculus
SU:TAXONOMY_ID                    	10090
#SUBJECT_SAMPLE_FACTORS:          	SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data
SUBJECT_SAMPLE_FACTORS            	SU0018085	S00028167	Diet:ND | Sample type:Adipose Tissue	
SUBJECT_SAMPLE_FACTORS            	SU0018086	S00028168	Diet:ND | Sample type:Adipose Tissue	
SUBJECT_SAMPLE_FACTORS            	SU0018087	S00028169	Diet:ND | Sample type:Adipose Tissue	
SUBJECT_SAMPLE_FACTORS            	SU0018088	S00028170	Diet:HFD | Sample type:Adipose Tissue	
SUBJECT_SAMPLE_FACTORS            	SU0018089	S00028171	Diet:HFD | Sample type:Adipose Tissue	
SUBJECT_SAMPLE_FACTORS            	SU0018090	S00028172	Diet:HFD | Sample type:Adipose Tissue	
SUBJECT_SAMPLE_FACTORS            	SU0018085	S00028173	Diet:ND | Sample type:Bone Marrow	
SUBJECT_SAMPLE_FACTORS            	SU0018086	S00028174	Diet:ND | Sample type:Bone Marrow	
SUBJECT_SAMPLE_FACTORS            	SU0018087	S00028175	Diet:ND | Sample type:Bone Marrow	
SUBJECT_SAMPLE_FACTORS            	SU0018088	S00028176	Diet:HFD | Sample type:Bone Marrow	
SUBJECT_SAMPLE_FACTORS            	SU0018089	S00028177	Diet:HFD | Sample type:Bone Marrow	
SUBJECT_SAMPLE_FACTORS            	SU0018090	S00028178	Diet:HFD | Sample type:Bone Marrow	
#COLLECTION
CO:COLLECTION_SUMMARY             	-
#TREATMENT
TR:TREATMENT_SUMMARY              	-
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY             	-
SP:SAMPLEPREP_PROTOCOL_FILENAME   	A011 - Glycolysis-TCA-nucleotides.pdf
#CHROMATOGRAPHY
CH:CHROMATOGRAPHY_TYPE            	Amino, Aminopropyl HILIC
CH:INSTRUMENT_NAME                	6520B Q-TOF LC/MS (Agilent)
CH:COLUMN_NAME                    	Luna NH2, 100A, 3mkm, 150mm X 1mm (Phenomenex)
CH:METHODS_FILENAME               	QTOF-002-HILIC-35min-1mm.m
#ANALYSIS
AN:ANALYSIS_TYPE                  	HRMS
AN:INSTRUMENT_NAME                	6520B Q-TOF LC/MS (Agilent)
AN:ANALYSIS_PROTOCOL_FILE         	A011 - Glycolysis-TCA-nucleotides.pdf
AN:ACQUISITION_PARAMETERS_FILE    	QTOF-002-HILIC-35min-1mm.m
AN:PROCESSING_PARAMETERS_FILE     	-
#MS
MS:INSTRUMENT_TYPE                	QTOF
MS:MS_TYPE                        	ESI
MS:ION_MODE                       	NEGATIVE
#MS_METABOLITE_DATA
MS_METABOLITE_DATA:UNITS	pmol/mg
MS_METABOLITE_DATA_START
Sample	S00028173	S00028174	S00028175	S00028176	S00028177	S00028178
Factors	Diet:ND | Sample type:Bone Marrow	Diet:ND | Sample type:Bone Marrow	Diet:ND | Sample type:Bone Marrow	Diet:HFD | Sample type:Bone Marrow	Diet:HFD | Sample type:Bone Marrow	Diet:HFD | Sample type:Bone Marrow
D-ERYTHROSE 4-PHOSPHATE	11.21723691	9.525160339	10.81684136	8.269531081	8.151496331	10.22268419
BETA-NAD+	.788106171	1.207061422	1.468657745	1.076459844	1.419506204	1.052288221
COENZYME II	.017117051	.11518378		.041070733	.094748594	.035607993
SEDOHEPTULOSE 7-PHOSPHATE	.971134884	.840626295	1.05661219	1.009608077	1.137475325	1.282093561
D-FRUCTOSE, 1,6-BIS(DIHYDROGEN PHOSPHATE)	.630753035	.596264445	.703219495	.641354059	1.00400696	1.00731512
CITRIC ACID	5.651720426	6.966896298	1.124487197	7.918843951	15.89988046	12.73387098
NADH	1.504960037	1.498680917	2.991418756	3.022317975	2.951316153	2.606690303
FAD	.621885165	.621454168	.739493275	.698121132	.562010923	.591030929
MALIC ACID	37.45169615	40.77990219	49.12109287	46.45408942	43.99050055	45.82820688
ADENOSINE TRIPHOSPHATE	.289752498	.247268357	.233750701	.241138066	.65733375	.746327059
ROBISON ESTER	11.18826166	8.340274486	10.36384947	7.181603963	7.25749618	8.655829603
SUCROSE	4.483223877	7.537540425	12.23803578	7.935353572	13.41960018	9.935247418
ADENOSINE 5'-DIPHOSPHATE	1.758209907	.955810075	1.981040265	3.185868953	4.764500714	4.284073747
ADENOSINE 5'-MONOPHOSPHATE	35.31938586	42.85794676	52.68821956	51.49928332	52.35454546	55.88417157
GLYCERATE 3-PHOSPHATE	3.083440903	3.131922324	1.420333692	3.458399698	3.790107816	3.186606599
RIBOSE PHOSPHATE	5.616352061	5.112114499	7.189463303	7.980978684	7.455770943	8.366128738
6-PHOSPHOGLUCONIC ACID	.744591739	.73717619	.766298984	.549127899	.557499085	.654940072
ACETOACETYL-COA	.0733146	.088486978	.09308221	.151107766	.142492041	.18864003
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
D-ERYTHROSE 4-PHOSPHATE				122357				
BETA-NAD+				15938971				
COENZYME II				15938972				
SEDOHEPTULOSE 7-PHOSPHATE				165007				
D-FRUCTOSE, 1,6-BIS(DIHYDROGEN PHOSPHATE)				21125049				
CITRIC ACID				311				
NADH				439153				
FAD				46906035				
MALIC ACID				525				
ADENOSINE TRIPHOSPHATE				5957				
ROBISON ESTER				5958				
SUCROSE				5988				
ADENOSINE 5'-DIPHOSPHATE				6022				
ADENOSINE 5'-MONOPHOSPHATE				6083				
GLYCERATE 3-PHOSPHATE				724				
RIBOSE PHOSPHATE				77982				
6-PHOSPHOGLUCONIC ACID				91493				
ACETOACETYL-COA				92153				
METABOLITES_END
