#METABOLOMICS WORKBENCH araskind_20170802_185111 DATATRACK_ID:1189 STUDY_ID:ST000838 ANALYSIS_ID:AN001343 PROJECT_ID:PR000598
VERSION             	1
CREATED_ON             	August 9, 2017, 10:02 am
#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,
PR:PROJECT_SUMMARY               	marrow evaluations for glycolysis/TCA cycle and acylcarnitines will be
PR:PROJECT_SUMMARY               	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
#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)
ST:STUDY_SUMMARY                 	and bone marrow collected to evaluate lipid content/lipid type. In addition,
ST:STUDY_SUMMARY                 	marrow evaluations for glycolysis/TCA cycle and acylcarnitines will be
ST:STUDY_SUMMARY                 	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:NUM_GROUPS                    	4
ST:TOTAL_SUBJECTS                	6
#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  	A008_Acyl_Carnitines.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        	A011 - Glycolysis-TCA-nucleotides.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         	pmol/mg
MS_METABOLITE_DATA_START
Samples	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
#END