#METABOLOMICS WORKBENCH efahy_20130215_9775041_mwtab.txt DATATRACK_ID:36 STUDY_ID:ST000004 ANALYSIS_ID:AN000010 PROJECT_ID:PR000004
VERSION             	1
CREATED_ON          	2016-09-17
#PROJECT
PR:PROJECT_TITLE                 	LIPID MAPS Lipidomics studies
PR:PROJECT_TYPE                  	MS quantitative analysis
PR:PROJECT_SUMMARY               	Multi-center quantitative lipidomics studies on samples from human and murine
PR:PROJECT_SUMMARY               	(LIPIDMAPS)
PR:INSTITUTE                     	LIPID MAPS
PR:DEPARTMENT                    	Multiple
PR:LABORATORY                    	Multiple
PR:LAST_NAME                     	Fahy
PR:FIRST_NAME                    	Eoin
PR:ADDRESS                       	UCSD
PR:EMAIL                         	efahy@ucsd.edu
PR:PHONE                         	-
PR:FUNDING_SOURCE                	NIGMS
#STUDY
ST:STUDY_TITLE                   	Lipidomics studies on NIDDK / NIST human plasma samples
ST:STUDY_TYPE                    	MS analysis on human plasma
ST:STUDY_SUMMARY                 	The National Institute of Diabetes and Digestive and Kidney Diseases (NIDDK) in
ST:STUDY_SUMMARY                 	with the National Institute of Standards (NIST) recently produced a human
ST:STUDY_SUMMARY                 	standard reference material (SRM 1950) for metabolite analysis. The SRM was
ST:STUDY_SUMMARY                 	by obtaining plasma samples from 100 individuals between 40 and 50 years of
ST:STUDY_SUMMARY                 	whose ethnicity was representative of the US population and that included an
ST:STUDY_SUMMARY                 	number of men and women. The intent of the NIDDK/NIST project was to provide a
ST:STUDY_SUMMARY                 	material that would be publically available to researchers and that could be
ST:STUDY_SUMMARY                 	by the clinical chemistry community to identify plasma metabolites for
ST:STUDY_SUMMARY                 	purposes. Signature metabolites could then be further probed for their
ST:STUDY_SUMMARY                 	as disease biomarkers. The LIPID MAPS Consortium has undertaken the task to
ST:STUDY_SUMMARY                 	this SRM by systematically identifying and quantifying the lipid molecular
ST:STUDY_SUMMARY                 	in the six main categories of mammalian lipids. The quantitative levels of over
ST:STUDY_SUMMARY                 	different lipids present in this reference human plasma sample are presented
ST:INSTITUTE                     	LIPID MAPS
ST:DEPARTMENT                    	Multiple
ST:LABORATORY                    	Multiple
ST:LAST_NAME                     	Fahy
ST:FIRST_NAME                    	Eoin
ST:ADDRESS                       	UCSD
ST:EMAIL                         	efahy@ucsd.edu
ST:PHONE                         	-
ST:NUM_GROUPS                    	1
ST:TOTAL_SUBJECTS                	100
ST:NUM_MALES                     	100
#SUBJECT
SU:SUBJECT_TYPE                  	Human
SU:SUBJECT_SPECIES               	Homo sapiens
SU:TAXONOMY_ID                   	9606
SU:AGE_OR_AGE_RANGE              	40-50
SU:SPECIES_GROUP                 	Human
#SUBJECT_SAMPLE_FACTORS:         	SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data
SUBJECT_SAMPLE_FACTORS           	-	NIDDK1	Pooled sample:yes	
#COLLECTION
CO:COLLECTION_SUMMARY            	-
#TREATMENT
TR:TREATMENT_SUMMARY             	-
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	-
#CHROMATOGRAPHY
CH:CHROMATOGRAPHY_TYPE           	-
CH:INSTRUMENT_NAME               	-
CH:COLUMN_NAME                   	-
#ANALYSIS
AN:ANALYSIS_TYPE                 	MS
#MS
MS:MS_COMMENTS                   	-
MS:INSTRUMENT_NAME               	-
MS:INSTRUMENT_TYPE               	-
MS:MS_TYPE                       	ESI
MS:ION_MODE                      	-
#MS_METABOLITE_DATA
MS_METABOLITE_DATA:UNITS         	pmol/ml
MS_METABOLITE_DATA_START
Samples	NIDDK1
Factors	Pooled sample:yes
1_2-DG( 30:0)	576.7300
1_2-DG( 30:1)	230.7400
1_2-DG( 30:2)	31.9700
1_2-DG( 32:0)	1416.2133
1_2-DG( 32:1)	1069.1800
1_2-DG( 32:2)	415.0733
1_2-DG( 32:3)	59.4567
1_2-DG( 34:0)	1369.0433
1_2-DG( 34:1)	3870.7000
1_2-DG( 34:2)	2818.7933
1_2-DG( 34:3)	1649.6400
1_2-DG( 34:4)	172.5667
1_2-DG( 36:0)	689.8067
1_2-DG( 36:1)	1242.8767
1_2-DG( 36:2)	4062.5733
1_2-DG( 36:3)	8182.4967
1_2-DG( 36:4)	5276.4100
1_2-DG( 36:5)	961.3567
1_2-DG( 38:0)	3.3100
1_2-DG( 38:1)	13.1967
1_2-DG( 38:2)	22.2700
1_2-DG( 38:3)	283.1400
1_2-DG( 38:4)	937.7900
1_2-DG( 38:5)	1612.7500
1_2-DG( 38:6)	1137.4200
1_2-DG( 40:4)	36.0800
1_2-DG( 40:6)	254.0100
1_2-DG( 40:7)	310.2433
1_3-DG( 30:0)	243.3033
1_3-DG( 30:1)	105.1267
1_3-DG( 30:2)	13.1733
1_3-DG( 32:0)	677.0700
1_3-DG( 32:1)	410.7133
1_3-DG( 32:2)	160.5200
1_3-DG( 32:3)	17.1767
1_3-DG( 34:0)	1042.4300
1_3-DG( 34:1)	1481.3100
1_3-DG( 34:2)	1163.7300
1_3-DG( 34:3)	570.7600
1_3-DG( 34:4)	45.8333
1_3-DG( 36:0)	769.4933
1_3-DG( 36:1)	361.0233
1_3-DG( 36:2)	1362.6033
1_3-DG( 36:3)	1842.1767
1_3-DG( 36:4)	1419.2833
1_3-DG( 36:5)	312.1633
1_3-DG( 38:0)	39.6067
1_3-DG( 38:1)	2.2600
1_3-DG( 38:2)	7.1150
1_3-DG( 38:3)	35.8667
1_3-DG( 38:4)	252.7233
1_3-DG( 38:5)	399.4867
1_3-DG( 38:6)	360.0367
1_3-DG( 40:4)	44.3067
1_3-DG( 40:6)	118.0500
1_3-DG( 40:7)	86.2900
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
1,2-DG( 30:0)								
1,2-DG( 30:1)								
1,2-DG( 30:2)								
1,2-DG( 32:0)								
1,2-DG( 32:1)								
1,2-DG( 32:2)								
1,2-DG( 32:3)								
1,2-DG( 34:0)								
1,2-DG( 34:1)								
1,2-DG( 34:2)								
1,2-DG( 34:3)								
1,2-DG( 34:4)								
1,2-DG( 36:0)								
1,2-DG( 36:1)								
1,2-DG( 36:2)								
1,2-DG( 36:3)								
1,2-DG( 36:4)								
1,2-DG( 36:5)								
1,2-DG( 38:0)								
1,2-DG( 38:1)								
1,2-DG( 38:2)								
1,2-DG( 38:3)								
1,2-DG( 38:4)								
1,2-DG( 38:5)								
1,2-DG( 38:6)								
1,2-DG( 40:4)								
1,2-DG( 40:6)								
1,2-DG( 40:7)								
1,3-DG( 30:0)								
1,3-DG( 30:1)								
1,3-DG( 30:2)								
1,3-DG( 32:0)								
1,3-DG( 32:1)								
1,3-DG( 32:2)								
1,3-DG( 32:3)								
1,3-DG( 34:0)								
1,3-DG( 34:1)								
1,3-DG( 34:2)								
1,3-DG( 34:3)								
1,3-DG( 34:4)								
1,3-DG( 36:0)								
1,3-DG( 36:1)								
1,3-DG( 36:2)								
1,3-DG( 36:3)								
1,3-DG( 36:4)								
1,3-DG( 36:5)								
1,3-DG( 38:0)								
1,3-DG( 38:1)								
1,3-DG( 38:2)								
1,3-DG( 38:3)								
1,3-DG( 38:4)								
1,3-DG( 38:5)								
1,3-DG( 38:6)								
1,3-DG( 40:4)								
1,3-DG( 40:6)								
1,3-DG( 40:7)								
METABOLITES_END
#END