#METABOLOMICS WORKBENCH araskind_20170619_133725 DATATRACK_ID:1023 STUDY_ID:ST000769 ANALYSIS_ID:AN001216 PROJECT_ID:PR000555
VERSION             	1
CREATED_ON             	July 5, 2017, 1:10 pm
#PROJECT
PR:PROJECT_TITLE                 	Oncogenic Ras-induced metabolic perturbations
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
#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
ST:STUDY_SUMMARY                 	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:NUM_GROUPS                    	2
ST:TOTAL_SUBJECTS                	1
#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           	SU0016255	S00026008	Type:WT ras	
SUBJECT_SAMPLE_FACTORS           	SU0016255	S00026009	Type:mutant ras	
#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           	GC
CH:INSTRUMENT_NAME               	Agilent 7890N
CH:COLUMN_NAME                   	Agilent HP5-MS (15m × 0.25mm, 0.25 um)
#ANALYSIS
AN:ANALYSIS_TYPE                 	MS
AN:ANALYSIS_PROTOCOL_FILE        	A011 - Glycolysis-TCA-nucleotides.pdf
#MS
MS:MS_COMMENTS                   	-
MS:INSTRUMENT_NAME               	Agilent 5975
MS:INSTRUMENT_TYPE               	Single quadrupole
MS:MS_TYPE                       	EI
MS:ION_MODE                      	POSITIVE
#MS_METABOLITE_DATA
MS_METABOLITE_DATA:UNITS         	uM/ng protein
MS_METABOLITE_DATA_START
Samples	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
#END