#METABOLOMICS WORKBENCH efahy_20130215_9775041_mwtab.txt DATATRACK_ID:36 STUDY_ID:ST000004 ANALYSIS_ID:AN000005 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
LPC(16:0)	29806.0750
LPC(16:0e)	490.9500
LPC(16:0p)	1725.1250
LPC(16:1)	3769.8000
LPC(18:0)	23328.0000
LPC(18:0e)	911.0750
LPC(18:1)	14815.3250
LPC(18:2)	16861.6500
LPC(20:3)	3264.4750
LPC(20:4)	5731.9750
LPC(22:5)	1001.2750
LPC(22:6)	1573.5000
LPE(16:0)	3453.5000
LPE(18:0)	7408.3500
LPE(18:1)	6442.4750
LPE(18:2)	7848.6000
LPE(20:4)	7317.0250
LPE(22:1)	311.3750
LPE(22:6)	3857.1250
N-Acyl-PS(52:1)	9.6067
N-Acyl-PS(54:2)	2.5433
PA(32:0)	185.8000
PA(32:1)	198.6250
PA(34:0)	224.9750
PA(34:1)	147.4250
PA(34:2)	144.0750
PA(36:0)	230.9750
PA(36:1)	118.4000
PA(36:2)	223.4500
PA(36:3)	116.9500
PA(36:4)	207.5000
PA(38:2)	137.6000
PA(38:3)	121.0000
PA(38:4)	164.3750
PA(38:5)	211.5500
PA(38:6)	69.7250
PC(30:1)	1115.3200
PC(32:0)	11446.8600
PC(32:1)	28641.2000
PC(32:2)	9800.0800
PC(34:0)	7660.5000
PC(34:1)	89273.3800
PC(34:1e)	2800.3400
PC(34:2)	187583.2800
PC(34:2e)	3987.7600
PC(34:3)	13813.5200
PC(36:0)	7948.9200
PC(36:1)	99797.6600
PC(36:1e)/PC(36:0p)	2571.5600
PC(36:2)	253628.3000
PC(36:2e)/PC(36:1p)	6254.3000
PC(36:3)	164501.1200
PC(36:4)	171858.7800
PC(36:4e)/PC(36:3p)	29033.0400
PC(36:5)	12792.7000
PC(38:2)	37592.7600
PC(38:3e)/PC(38:2p)	11552.3200
PC(38:4)	254224.1400
PC(38:5)	86346.4600
PC(38:5e)/PC(38:4p)	49891.6600
PC(38:6)	62923.4800
PC(40:2)	133464.7200
PC(40:4)	36747.1400
PC(40:5)	66602.1600
PC(40:6)	79409.2400
PC(40:7)	23116.3500
PC(40:8)	27026.5200
PE(32:1)	903.9000
PE(34:0)	800.5800
PE(34:1)	5950.1000
PE(34:1p)	3930.3800
PE(34:2)	11988.7200
PE(34:2p)	7321.6800
PE(36:0)	14093.5000
PE(36:1)	8211.7800
PE(36:2)	29518.9800
PE(36:2e)/PE(36:1p)	5459.6400
PE(36:3)	15956.4600
PE(36:3e)/PE(36:2p)	13693.1400
PE(36:4)	22868.1000
PE(36:4e)/PE(36:3p)	11740.1400
PE(36:5)	4096.9000
PE(36:5e)/PE(36:4p)	19610.0400
PE(38:1)	10347.6000
PE(38:2)	763.0200
PE(38:3)	6833.1200
PE(38:4)	48095.9200
PE(38:5)	20903.2800
PE(38:5e)/PE(38:4p)	54557.6400
PE(38:6)	19478.8000
PE(38:6e)/PE(38:5p)	32697.0600
PE(40:1)	1727.3400
PE(40:4)	2342.6750
PE(40:5)	4837.7600
PE(40:5e)	7700.7600
PE(40:6)	10011.4200
PE(40:6e)	11541.7600
PE(40:7)	2567.4000
PE(40:7e)	15861.2400
PE(42:1)	862.3000
PE(42:5)	1469.1800
PE(42:5p)	1832.5000
PE(42:6)	1637.5400
PE(42:6p)	1699.5400
PE(42:7)	1195.0800
PG(34:1)	604.4750
PG(34:2)	79.7250
PG(36:1)	1586.3750
PG(36:2)	193.7250
PG(36:3)	337.7750
PG(36:4)	217.4500
PG(36:5)	350.5500
PG(38:4)	191.4333
PG(38:5)	605.2250
PG(38:6)	919.2000
PG(40:4)	323.0000
PG(40:5)	159.3000
PG(40:6)	145.2500
PG(40:7)	181.3250
PG(40:8)	105.4667
PG(40:9)	116.0500
PI(32:1)	745.6400
PI(34:0)	472.8400
PI(34:1)	1775.4400
PI(34:2)	2638.7000
PI(36:0)	269.2400
PI(36:1)	1774.0000
PI(36:2)	4288.2800
PI(36:3)	1165.5000
PI(36:4)	1265.5400
PI(36:5)	569.8600
PI(38:2)	189.0000
PI(38:3)	1828.9600
PI(38:4)	11005.4600
PI(38:5)	1276.4400
PI(38:6)	498.4000
PI(40:3)	217.1000
PI(40:4)	450.7800
PI(40:5)	474.9400
PI(40:6)	539.5400
PS(32:1)	238.8500
PS(34:0)	307.4000
PS(34:1)	186.0500
PS(34:2)	151.2500
PS(36:0)	2086.6500
PS(36:1)	732.8250
PS(36:2)	316.2750
PS(36:3)	123.2500
PS(36:4)	179.2250
PS(38:1)	263.6333
PS(38:2)	187.8250
PS(38:3)	193.8500
PS(38:4)	481.0250
PS(38:5)	280.8250
PS(38:6)	161.6667
PS(40:3)	90.4500
PS(40:4)	101.2750
PS(40:5)	113.8500
PS(40:6)	636.8667
PS(40:7)	169.2000
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
LPC(16:0)				10917802				
LPC(16:0e)				162126				
LPC(16:0p)				10917802				
LPC(16:1)				24779461				
LPC(18:0)				497299				
LPC(18:0e)				2733532				
LPC(18:1)				24779513				
LPC(18:2)				56955896				
LPC(20:3)				53480467				
LPC(20:4)				53480469				
LPC(22:5)				53480473				
LPC(22:6)				10415542				
LPE(16:0)				9547069				
LPE(18:0)				444183				
LPE(18:1)				53480924				
LPE(18:2)				9547069				
LPE(20:4)				53480937				
LPE(22:1)				53480953				
LPE(22:6)				53480945				
N-Acyl-PS(52:1)								
N-Acyl-PS(54:2)								
PA(32:0)				446066				
PA(32:1)								
PA(34:0)								
PA(34:1)				5283523				
PA(34:2)				9547167				
PA(36:0)								
PA(36:1)								
PA(36:2)				53478602				
PA(36:3)								
PA(36:4)								
PA(38:2)								
PA(38:3)								
PA(38:4)								
PA(38:5)								
PA(38:6)								
PC(30:1)				52922408				
PC(32:0)				53478617				
PC(32:1)				53478693				
PC(32:2)				53478643				
PC(34:0)				53478703				
PC(34:1)				52922448				
PC(34:1e)								
PC(34:2)				5287971				
PC(34:2e)								
PC(34:3)				52923213				
PC(36:0)				94190				
PC(36:1)				52923437				
PC(36:1e)/PC(36:0p)								
PC(36:2)				53478629				
PC(36:2e)/PC(36:1p)								
PC(36:3)				52922461				
PC(36:4)				53478831				
PC(36:4e)/PC(36:3p)								
PC(36:5)				53478875				
PC(38:2)				53478917				
PC(38:3e)/PC(38:2p)								
PC(38:4)				53478737				
PC(38:5)				53479119				
PC(38:5e)/PC(38:4p)								
PC(38:6)				24778979				
PC(40:2)				24779046				
PC(40:4)								
PC(40:5)				53478749				
PC(40:6)				53479355				
PC(40:7)				53479035				
PC(40:8)				53479361				
PE(32:1)				52924944				
PE(34:0)				5326793				
PE(34:1)				57339246				
PE(34:1p)								
PE(34:2)				52925127				
PE(34:2p)								
PE(36:0)				447078				
PE(36:1)				53479609				
PE(36:2)				52924213				
PE(36:2e)/PE(36:1p)								
PE(36:3)				52924234				
PE(36:3e)/PE(36:2p)								
PE(36:4)				52924126				
PE(36:4e)/PE(36:3p)								
PE(36:5)				57339246				
PE(36:5e)/PE(36:4p)								
PE(38:1)				52924721				
PE(38:2)				53479739				
PE(38:3)				52924532				
PE(38:4)				53479905				
PE(38:5)				71728381				
PE(38:5e)/PE(38:4p)								
PE(38:6)				57339224				
PE(38:6e)/PE(38:5p)								
PE(40:1)				57339246				
PE(40:4)				52924378				
PE(40:5)				52924594				
PE(40:5e)								
PE(40:6)				52924467				
PE(40:6e)								
PE(40:7)				53479986				
PE(40:7e)								
PE(42:1)				53479655				
PE(42:5)				52924570				
PE(42:5p)								
PE(42:6)				57339246				
PE(42:6p)								
PE(42:7)				52924632				
PG(34:1)				52941750				
PG(34:2)				52927146				
PG(36:1)				53480610				
PG(36:2)				53480618				
PG(36:3)				53480619				
PG(36:4)				53480620				
PG(36:5)				52926617				
PG(38:4)				53480630				
PG(38:5)				52926490				
PG(38:6)				52926653				
PG(40:4)				52927148				
PG(40:5)				52926604				
PG(40:6)				53480626				
PG(40:7)				53480635				
PG(40:8)				53480644				
PG(40:9)				52926689				
PI(32:1)				0				
PI(34:0)				0				
PI(34:1)				0				
PI(34:2)				0				
PI(36:0)				0				
PI(36:1)								
PI(36:2)				0				
PI(36:3)				0				
PI(36:4)				0				
PI(36:5)								
PI(38:2)				0				
PI(38:3)				0				
PI(38:4)				0				
PI(38:5)				0				
PI(38:6)				0				
PI(40:3)				0				
PI(40:4)				0				
PI(40:5)				0				
PI(40:6)				0				
PS(32:1)				52925419				
PS(34:0)				52926014				
PS(34:1)				52925996				
PS(34:2)				52925990				
PS(36:0)				9547096				
PS(36:1)				9547087				
PS(36:2)				6438639				
PS(36:3)				52926065				
PS(36:4)				52925983				
PS(38:1)								
PS(38:2)								
PS(38:3)				52925710				
PS(38:4)				24779545				
PS(38:5)				52925988				
PS(38:6)				52925526				
PS(40:3)								
PS(40:4)								
PS(40:5)				53480355				
PS(40:6)				52925721				
PS(40:7)				52925938				
METABOLITES_END
#END