#METABOLOMICS WORKBENCH TEXT OUTPUT STUDY_ID:	ANALYSIS_ID:	
VERSION             	1
CREATED_ON          	2017-07-14
#PROJECT
PR:PROJECT_TITLE    	IDH1 activity
PR:PROJECT_TYPE     	MS analysis
PR:PROJECT_SUMMARY  	assay 2HG procution in neurospheres expresing IDH1 mutated
PR:INSTITUTE        	University of Michigan
PR:DEPARTMENT       	Neurosurgery
PR:LABORATORY       	Castro Lab
PR:LAST_NAME        	Castro
PR:FIRST_NAME       	Maria
PR:ADDRESS          	Ann Arbor, MI
PR:EMAIL            	mariacas@umich.edu
PR:PHONE            	734-764-0850
PR:FUNDING_SOURCE   	
PR:PROJECT_COMMENTS 	
PR:PUBLICATIONS     	
#STUDY
ST:STUDY_TITLE      	2 hydroxyglutarate in neurospheres 2
ST:STUDY_TYPE       	MS analysis
ST:STUDY_SUMMARY    	Evaluation of 2HG and a-ketoglutarate in tumor neurospheres (NS) genertated from the mice brain tumors haboring specific genetic lesions: NRAS overexpression, p53 knockdown plus or minus IDH1 mutated and ATRX knockdown.
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      	10/20/2016 04:07:32 PM
ST:NUM_GROUPS       	2
ST:TOTAL_SUBJECTS   	4
ST:STUDY_COMMENTS   	
#SUBJECT_SAMPLE_FACTORS:          	SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data
SUBJECT_SAMPLE_FACTORS            	SU0016367	S00026214	IDH1_MUTATION:NO	
SUBJECT_SAMPLE_FACTORS            	SU0016367	S00026215	IDH1_MUTATION:NO	
SUBJECT_SAMPLE_FACTORS            	SU0016368	S00026216	IDH1_MUTATION:IDH1-R132H	
SUBJECT_SAMPLE_FACTORS            	SU0016368	S00026217	IDH1_MUTATION:IDH1-R132H	
SUBJECT_SAMPLE_FACTORS            	SU0016369	S00026218	IDH1_MUTATION:IDH1-R132H	
SUBJECT_SAMPLE_FACTORS            	SU0016369	S00026219	IDH1_MUTATION:IDH1-R132H	
SUBJECT_SAMPLE_FACTORS            	SU0016370	S00026220	IDH1_MUTATION:IDH1-R132H	
SUBJECT_SAMPLE_FACTORS            	SU0016370	S00026221	IDH1_MUTATION:IDH1-R132H	
#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   	A037-2HG cells updated-20160721.pdf
#CHROMATOGRAPHY
CH:CHROMATOGRAPHY_TYPE            	C18
CH:INSTRUMENT_NAME                	6490A QQQ LC/MS (Agilent)
CH:COLUMN_NAME                    	ACQUITY UPLC HSS T3, 100A, 1.8mkm, 2.1mm X 50mm (Waters Corporation)
CH:METHODS_FILENAME               	2016-03-16-2HG-6490
#ANALYSIS
AN:ANALYSIS_TYPE                  	MRM
AN:INSTRUMENT_NAME                	6490A QQQ LC/MS (Agilent)
AN:ANALYSIS_PROTOCOL_FILE         	A037-2HG cells updated-20160721.pdf
AN:ACQUISITION_PARAMETERS_FILE    	2016-03-16-2HG-6490
AN:PROCESSING_PARAMETERS_FILE     	-
#MS
MS:INSTRUMENT_TYPE                	QQQ
MS:MS_TYPE                        	
MS:ION_MODE                       	NEGATIVE
#MS_METABOLITE_DATA
MS_METABOLITE_DATA:UNITS	uM
MS_METABOLITE_DATA_START
Sample	S00026214	S00026215	S00026216	S00026217	S00026218	S00026219	S00026220	S00026221
Factors	IDH1_MUTATION:NO	IDH1_MUTATION:NO	IDH1_MUTATION:IDH1-R132H	IDH1_MUTATION:IDH1-R132H	IDH1_MUTATION:IDH1-R132H	IDH1_MUTATION:IDH1-R132H	IDH1_MUTATION:IDH1-R132H	IDH1_MUTATION:IDH1-R132H
(2R)-2-HYDROXYPENTANEDIOIC ACID	.25363048	.342549776	11.06987297	10.53820051	8.167143088	10.30796916	1.780790067	2.87467369
(2S)-2-HYDROXYPENTANEDIOIC ACID	.358184959	.340863541	0	0	0	0	.404508486	.538581489
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
(2R)-2-HYDROXYPENTANEDIOIC ACID				439391				
(2S)-2-HYDROXYPENTANEDIOIC ACID				439939				
METABOLITES_END
