#METABOLOMICS WORKBENCH TEXT OUTPUT STUDY_ID:	ANALYSIS_ID:	
VERSION             	1
CREATED_ON          	2017-06-17
#PROJECT
PR:PROJECT_TITLE    	Metabolic effects of novel ALDH inhibitors
PR:PROJECT_TYPE     	MS analysis
PR:PROJECT_SUMMARY  	Effect of novel aldehyde dehydrogenase inhibitors (N3 Flux-673-773)
PR:INSTITUTE        	University of Michigan
PR:DEPARTMENT       	Hemtology/Oncology
PR:LABORATORY       	Buckanovich Lab
PR:LAST_NAME        	Buckanovich
PR:FIRST_NAME       	Ronald
PR:ADDRESS          	Ann Arbor, MI
PR:EMAIL            	ronaldbu@umich.edu
PR:PHONE            	734-764-2395
PR:FUNDING_SOURCE   	
PR:PROJECT_COMMENTS 	
PR:PUBLICATIONS     	
#STUDY
ST:STUDY_TITLE      	Metabolic effects of novel ALDH inhibitors
ST:STUDY_TYPE       	MS analysis
ST:STUDY_SUMMARY    	Effect of novel aldehyde dehydrogenase inhibitors. Before an experiment medium was replaced to  medium without glucose with addition of labeled glucose on C13. Next, cells were treated with ALDH inhibitors 673 or 773 for 1, 4, or 8 hr (673&773-Jan26)
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      	02/05/2015 04:43:15 PM
ST:NUM_GROUPS       	9
ST:TOTAL_SUBJECTS   	36
ST:STUDY_COMMENTS   	
#SUBJECT_SAMPLE_FACTORS:          	SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data
SUBJECT_SAMPLE_FACTORS            	SU0011664	S00017246	cell type:Cd133 | time:NA | treatment:Control	
SUBJECT_SAMPLE_FACTORS            	SU0011665	S00017247	cell type:Cd133 | time:NA | treatment:Control	
SUBJECT_SAMPLE_FACTORS            	SU0011666	S00017248	cell type:Cd133 | time:NA | treatment:Control	
SUBJECT_SAMPLE_FACTORS            	SU0011667	S00017249	cell type:Cd133 | time:1hr | treatment:Compound 673	
SUBJECT_SAMPLE_FACTORS            	SU0011668	S00017250	cell type:Cd133 | time:1hr | treatment:Compound 673	
SUBJECT_SAMPLE_FACTORS            	SU0011669	S00017251	cell type:Cd133 | time:1hr | treatment:Compound 673	
SUBJECT_SAMPLE_FACTORS            	SU0011670	S00017252	cell type:Cd133 | time:1hr | treatment:Compound 773	
SUBJECT_SAMPLE_FACTORS            	SU0011671	S00017253	cell type:Cd133 | time:1hr | treatment:Compound 773	
SUBJECT_SAMPLE_FACTORS            	SU0011672	S00017254	cell type:Cd133 | time:1hr | treatment:Compound 773	
SUBJECT_SAMPLE_FACTORS            	SU0011673	S00017255	cell type:Cd133 | time:4hr | treatment:Compound 673	
SUBJECT_SAMPLE_FACTORS            	SU0011674	S00017256	cell type:Cd133 | time:4hr | treatment:Compound 673	
SUBJECT_SAMPLE_FACTORS            	SU0011675	S00017257	cell type:Cd133 | time:4hr | treatment:Compound 673	
SUBJECT_SAMPLE_FACTORS            	SU0011676	S00017258	cell type:Cd133 | time:4hr | treatment:Compound 773	
SUBJECT_SAMPLE_FACTORS            	SU0011677	S00017259	cell type:Cd133 | time:4hr | treatment:Compound 773	
SUBJECT_SAMPLE_FACTORS            	SU0011678	S00017260	cell type:Cd133 | time:4hr | treatment:Compound 773	
SUBJECT_SAMPLE_FACTORS            	SU0011679	S00017261	cell type:Cd133 | time:8hr | treatment:Compound 673	
SUBJECT_SAMPLE_FACTORS            	SU0011680	S00017262	cell type:Cd133 | time:8hr | treatment:Compound 673	
SUBJECT_SAMPLE_FACTORS            	SU0011681	S00017263	cell type:Cd133 | time:8hr | treatment:Compound 673	
SUBJECT_SAMPLE_FACTORS            	SU0011682	S00017264	cell type:Cd133 | time:8hr | treatment:Compound 773	
SUBJECT_SAMPLE_FACTORS            	SU0011683	S00017265	cell type:Cd133 | time:8hr | treatment:Compound 773	
SUBJECT_SAMPLE_FACTORS            	SU0011684	S00017266	cell type:Cd133 | time:8hr | treatment:Compound 773	
SUBJECT_SAMPLE_FACTORS            	SU0011685	S00017267	cell type:OvCAR8 | time:NA | treatment:Control	
SUBJECT_SAMPLE_FACTORS            	SU0011686	S00017268	cell type:OvCAR8 | time:NA | treatment:Control	
SUBJECT_SAMPLE_FACTORS            	SU0011687	S00017269	cell type:OvCAR8 | time:NA | treatment:Control	
SUBJECT_SAMPLE_FACTORS            	SU0011688	S00017270	cell type:OvCAR8 | time:4hr | treatment:Compound 673	
SUBJECT_SAMPLE_FACTORS            	SU0011689	S00017271	cell type:OvCAR8 | time:4hr | treatment:Compound 673	
SUBJECT_SAMPLE_FACTORS            	SU0011690	S00017272	cell type:OvCAR8 | time:4hr | treatment:Compound 673	
SUBJECT_SAMPLE_FACTORS            	SU0011691	S00017273	cell type:OvCAR8 | time:4hr | treatment:Compound 773	
SUBJECT_SAMPLE_FACTORS            	SU0011692	S00017274	cell type:OvCAR8 | time:4hr | treatment:Compound 773	
SUBJECT_SAMPLE_FACTORS            	SU0011693	S00017275	cell type:OvCAR8 | time:4hr | treatment:Compound 773	
SUBJECT_SAMPLE_FACTORS            	SU0011694	S00017276	cell type:OvCAR8 | time:8hr | treatment:Compound 673	
SUBJECT_SAMPLE_FACTORS            	SU0011695	S00017277	cell type:OvCAR8 | time:8hr | treatment:Compound 673	
SUBJECT_SAMPLE_FACTORS            	SU0011696	S00017278	cell type:OvCAR8 | time:8hr | treatment:Compound 673	
SUBJECT_SAMPLE_FACTORS            	SU0011697	S00017279	cell type:OvCAR8 | time:8hr | treatment:Compound 773	
SUBJECT_SAMPLE_FACTORS            	SU0011698	S00017280	cell type:OvCAR8 | time:8hr | treatment:Compound 773	
SUBJECT_SAMPLE_FACTORS            	SU0011699	S00017281	cell type:OvCAR8 | time:8hr | treatment:Compound 773	
#SUBJECT
SU:SUBJECT_TYPE                   	HUMAN
SU:SUBJECT_SPECIES                	Homo sapiens
SU:TAXONOMY_ID                    	9606
#COLLECTION
CO:COLLECTION_SUMMARY             	-
#TREATMENT
TR:TREATMENT_SUMMARY              	-
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY             	-
SP:SAMPLEPREP_PROTOCOL_FILENAME   	A016 - Vitamins.pdf
#CHROMATOGRAPHY
CH:CHROMATOGRAPHY_TYPE            	
CH:INSTRUMENT_NAME                	6490A QQQ LC/MS (Agilent)
CH:COLUMN_NAME                    	 ()
CH:METHODS_FILENAME               	QM035_2mmC18_fat-Vitamin_MRM-6490
#ANALYSIS
AN:ANALYSIS_TYPE                  	MRM
AN:INSTRUMENT_NAME                	6490A QQQ LC/MS (Agilent)
AN:ANALYSIS_PROTOCOL_FILE         	A016 - Vitamins.pdf
AN:ACQUISITION_PARAMETERS_FILE    	QM035_2mmC18_fat-Vitamin_MRM-6490
AN:PROCESSING_PARAMETERS_FILE     	-
#MS
MS:INSTRUMENT_TYPE                	QQQ
MS:MS_TYPE                        	
MS:ION_MODE                       	POSITIVE
#MS_METABOLITE_DATA
MS_METABOLITE_DATA:UNITS	pmol/ug protein
MS_METABOLITE_DATA_START
Sample	S00017267	S00017268	S00017269	S00017276	S00017277	S00017278	S00017279	S00017280	S00017281
Factors	cell type:OvCAR8 | time:NA | treatment:Control	cell type:OvCAR8 | time:NA | treatment:Control	cell type:OvCAR8 | time:NA | treatment:Control	cell type:OvCAR8 | time:8hr | treatment:Compound 673	cell type:OvCAR8 | time:8hr | treatment:Compound 673	cell type:OvCAR8 | time:8hr | treatment:Compound 673	cell type:OvCAR8 | time:8hr | treatment:Compound 773	cell type:OvCAR8 | time:8hr | treatment:Compound 773	cell type:OvCAR8 | time:8hr | treatment:Compound 773
PYRIDOXINE	24.43007671	21.6269456	22.62650719	24.00154463	15.54393201	10.35437648	15.59452362	16.16571539	29.15066308
THIAMINE	10.79397693	10.06137175	8.980899852	11.72607287	8.027883332	7.211966746	5.856295638	7.92861464	12.81816524
VITAMIN B12	0	0	0	0	0	0	0	0	0
VITAMIN E	18.45650135	0	0	0	0	8.264731067	0	21.34780856	10.6575933
BIOTIN	45.66249468	27.49671701	35.09028694	27.29322163	15.87398887	19.01360153	67.2887825	62.77232971	90.04013456
RETINOL	0	0	0	0	0	0	0	0	0
RIBOFLAVIN	3.494957201	1.381224773	1.825715918	1.888602445	1.346744163	1.146755701	1.157630257	1.512876449	2.634406117
PHYLLOQUINONE	0	0	0	0	0	0	0	0	0
VITAMIN D3	0	0	0	0	0	0	0	0	0
D-PANTOTHENIC ACID	29.09707464	18.59641104	18.73440021	16.52822684	13.5972944	10.9510651	49.70797947	55.60403347	72.01013964
NICOTINIC ACID	660.6136186	123.8259323	406.9400845	291.0916759	205.0796831	95.27445992	155.2863165	105.4867836	233.6935326
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
PYRIDOXINE				1054				
THIAMINE				1130				
VITAMIN B12				118701016				
VITAMIN E				14985				
BIOTIN				171548				
RETINOL				445354				
RIBOFLAVIN				493570				
PHYLLOQUINONE				5280483				
VITAMIN D3				5280795				
D-PANTOTHENIC ACID				6613				
NICOTINIC ACID				938				
METABOLITES_END
