#METABOLOMICS WORKBENCH TEXT OUTPUT STUDY_ID:	ANALYSIS_ID:	
VERSION             	1
CREATED_ON          	2017-06-17
#PROJECT
PR:PROJECT_TITLE    	HSC Metabolism
PR:PROJECT_TYPE     	MS analysis
PR:PROJECT_SUMMARY  	Oncogenic Ras-induced metabolic perturbations
PR:INSTITUTE        	University of Michigan
PR:DEPARTMENT       	Internal Med and Cellular and Molecular Biology
PR:LABORATORY       	Li, Qing Lab
PR:LAST_NAME        	Li
PR:FIRST_NAME       	Qing
PR:ADDRESS          	Ann Arbor, MI
PR:EMAIL            	lqing@umich.edu
PR:PHONE            	734-763-8624
PR:FUNDING_SOURCE   	
PR:PROJECT_COMMENTS 	
PR:PUBLICATIONS     	
#STUDY
ST:STUDY_TITLE      	Metabolomics of Lin-Sca1+Kit+ (LSK) cells in NM mice
ST:STUDY_TYPE       	MS analysis
ST:STUDY_SUMMARY    	LSKs from transgenic mice are harvested and sorted via flow cytometry.  They are collected after two sorts as DAPI-, Lineage-, Sca1+, c-kit+ cells.
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      	09/29/2016 04:18:16 PM
ST:NUM_GROUPS       	2
ST:TOTAL_SUBJECTS   	1
ST:STUDY_COMMENTS   	
#SUBJECT_SAMPLE_FACTORS:          	SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data
SUBJECT_SAMPLE_FACTORS            	SU0016255	S00026008	Type:WT ras	
SUBJECT_SAMPLE_FACTORS            	SU0016255	S00026009	Type:mutant ras	
#SUBJECT
SU:SUBJECT_TYPE                   	MOUSE
SU:SUBJECT_SPECIES                	Mus musculus
SU:TAXONOMY_ID                    	10090
#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            	
CH:INSTRUMENT_NAME                	GC_7890N MS_5975 (Agilent)
CH:COLUMN_NAME                    	 ()
CH:METHODS_FILENAME               	HEIDI_FAMES_10MIN.M
#ANALYSIS
AN:ANALYSIS_TYPE                  	MS
AN:INSTRUMENT_NAME                	GC_7890N MS_5975 (Agilent)
AN:ANALYSIS_PROTOCOL_FILE         	A011 - Glycolysis-TCA-nucleotides.pdf
AN:ACQUISITION_PARAMETERS_FILE    	HEIDI_FAMES_10MIN.M
AN:PROCESSING_PARAMETERS_FILE     	-
#MS
MS:INSTRUMENT_TYPE                	Q
MS:MS_TYPE                        	EI
MS:ION_MODE                       	POSITIVE
#MS_METABOLITE_DATA
MS_METABOLITE_DATA:UNITS	uM/ng protein
MS_METABOLITE_DATA_START
Sample	S00026008	S00026009
Factors	Type:WT ras	Type:mutant ras
PHOSPHOENOLPYRUVATE	4624.638061	
PYRIDOXINE-5'-PHOSPHATE	.335854602	.579776476
D-ERYTHROSE 4-PHOSPHATE	3187.325982	
BETA-NAD+	13883.31194	
COENZYME II	37472.90841	3020.791989
SEDOHEPTULOSE 7-PHOSPHATE	271683.3155	2884.396666
D-FRUCTOSE, 1,6-BIS(DIHYDROGEN PHOSPHATE)	437491.6947	27872.61531
NADP-REDUCED	3099.731672	
CITRIC ACID	130744.9945	1984741.625
NADH	14250.93707	
FUMARIC ACID	1.467800327	2.985705381
FAD	78797.68666	4629.22451
2-KETOGLUTARIC ACID	.204060544	.425990491
MALIC ACID	5745852.794	84530.59124
ADENOSINE TRIPHOSPHATE	117996.0268	22415.04613
ROBISON ESTER	1391209.057	28781.6915
SUCROSE	129069.7023	98104.26365
ADENOSINE 5'-DIPHOSPHATE	920409.0199	31446.16064
ADENOSINE 5'-MONOPHOSPHATE	1953807.346	21599.36136
LACTIC ACID	140.5246069	256.076153
GLYCERATE 3-PHOSPHATE	79002.96742	5066.310563
RIBOSE PHOSPHATE	507452.6663	7605.43997
6-PHOSPHOGLUCONIC ACID	38120.25137	18059.65517
ACETOACETYL-COA	9765.43307	
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
PHOSPHOENOLPYRUVATE				1005				
PYRIDOXINE-5'-PHOSPHATE				1055				
D-ERYTHROSE 4-PHOSPHATE				122357				
BETA-NAD+				15938971				
COENZYME II				15938972				
SEDOHEPTULOSE 7-PHOSPHATE				165007				
D-FRUCTOSE, 1,6-BIS(DIHYDROGEN PHOSPHATE)				21125049				
NADP-REDUCED				22833512				
CITRIC ACID				311				
NADH				439153				
FUMARIC ACID				444972				
FAD				46906035				
2-KETOGLUTARIC ACID				51				
MALIC ACID				525				
ADENOSINE TRIPHOSPHATE				5957				
ROBISON ESTER				5958				
SUCROSE				5988				
ADENOSINE 5'-DIPHOSPHATE				6022				
ADENOSINE 5'-MONOPHOSPHATE				6083				
LACTIC ACID				612				
GLYCERATE 3-PHOSPHATE				724				
RIBOSE PHOSPHATE				77982				
6-PHOSPHOGLUCONIC ACID				91493				
ACETOACETYL-COA				92153				
METABOLITES_END
