#METABOLOMICS WORKBENCH efahy_20130215_9775041_mwtab.txt DATATRACK_ID:36 STUDY_ID:ST000004 ANALYSIS_ID:AN000006 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         	nmol/ml
MS_METABOLITE_DATA_START
Samples	NIDDK1
Factors	Pooled sample:yes
C16 Sphinganine	0.0050
C16 Sphinganine-P	0.0020
C16 Sphingosine-P	0.0385
C19 Sphingosine-P	0.0087
C31:0 Sphingomyelin	0.2697
C32:0 Sphingomyelin	1.0048
C32:1 Sphingomyelin	9.6305
C32:2 Sphingomyelin	0.5740
C33:0 Sphingomyelin	0.5945
C33:1 Sphingomyelin	6.5462
C33:2 Sphingomyelin	0.2170
C34:0 Sphingomyelin	17.3558
C34:1 Sphingomyelin	81.0337
C34:2 Sphingomyelin	0.6462
C35:0 Sphingomyelin	2.5027
C35:1 Sphingomyelin	2.2535
C36:0 Sphingomyelin	4.1673
C36:1 Sphingomyelin	16.9078
C36:2 Sphingomyelin	11.4500
C36:3 Sphingomyelin	0.8245
C37:1 Sphingomyelin	1.1230
C38:0 Sphingomyelin	2.8062
C38:1 Sphingomyelin	10.3788
C38:2 Sphingomyelin	7.3810
C38:3 Sphingomyelin	0.5108
C39:1 Sphingomyelin	4.8303
C39:2 Sphingomyelin	0.9878
C40:0 Sphingomyelin	3.3897
C40:1 Sphingomyelin	15.7910
C40:2 Sphingomyelin	17.7557
C40:3 Sphingomyelin	1.7457
C41:1 Sphingomyelin	7.4630
C41:2 Sphingomyelin	6.2295
C41:3 Sphingomyelin	0.7115
C42:1 Sphingomyelin	11.7560
C42:2 Sphingomyelin	35.4188
C42:3 Sphingomyelin	22.7677
C42:4 Sphingomyelin	4.2908
C43:1 Sphingomyelin	1.2317
C43:2 Sphingomyelin	1.8733
C43:3 Sphingomyelin	0.5072
C44:1 Sphingomyelin	0.2397
C44:2 Sphingomyelin	0.3713
C44:3 Sphingomyelin	0.4675
Cer(d16:1/17:0)	0.0013
Cer(d16:1/22:0)	0.0938
Cer(d16:1/23:0)	0.0513
Cer(d16:2/23:0)	0.0010
Cer(d18:0/13:0)	0.0117
Cer(d18:0/14:0)	0.0110
Cer(d18:0/15:0)	0.0055
Cer(d18:0/16:0)	0.2615
Cer(d18:0/17:0)	0.0092
Cer(d18:0/18:0)	0.1460
Cer(d18:0/18:1)	0.0377
Cer(d18:0/20:0)	0.0887
Cer(d18:0/22:0)	0.6850
Cer(d18:0/24:0)	1.2188
Cer(d18:0/24:1)	0.5520
Cer(d18:0/26:0)	0.0410
Cer(d18:0/26:1)	0.0307
Cer(d18:0/26:2)	0.1955
Cer(d18:1/14:0)	0.0118
Cer(d18:1/16:0)	0.3305
Cer(d18:1/17:0)	0.0080
Cer(d18:1/18:0)	0.1278
Cer(d18:1/18:1)	0.0217
Cer(d18:1/19:0)	0.0400
Cer(d18:1/20:0)	0.1450
Cer(d18:1/22:0)	1.2235
Cer(d18:1/23:0)	0.2810
Cer(d18:1/24:0)	3.0013
Cer(d18:1/24:1)	1.0015
Cer(d18:1/25:0)	0.2705
Cer(d18:1/26:0)	0.0612
Cer(d18:1/26:1)	0.0355
Cer(d18:2/14:0)	0.0045
Cer(d18:2/15:0)	0.0015
Cer(d18:2/16:0)	0.0485
Cer(d18:2/18:1)	0.0055
Cer(d18:2/20:0)	0.0338
Cer(d18:2/20:1)	0.0057
Cer(d18:2/21:0)	0.0060
Cer(d18:2/22:0)	0.1998
Cer(d18:2/23:0)	0.0855
Cer(d18:2/23:1)	1.0745
Cer(d18:2/24:2)	0.0960
HexCer(d16:1/17:0)	0.0040
HexCer(d16:1/22:0)	0.0370
HexCer(d16:1/23:0)	0.3885
HexCer(d16:2/23:0)	1.0850
HexCer(d18:0/13:0)	0.0033
HexCer(d18:0/14:0)	0.0020
HexCer(d18:0/16:0)	0.0027
HexCer(d18:0/17:0)	0.0045
HexCer(d18:0/18:0)	0.0015
HexCer(d18:0/18:1)	0.0010
HexCer(d18:0/20:0)	0.0138
HexCer(d18:0/22:0)	0.0097
HexCer(d18:0/24:0)	0.0107
HexCer(d18:0/24:1)	0.0075
HexCer(d18:0/26:0)	0.0088
HexCer(d18:0/26:1)	0.0070
HexCer(d18:0/26:2)	0.0185
HexCer(d18:1/14:0)	0.0040
HexCer(d18:1/16:0)	0.3352
HexCer(d18:1/17:0)	0.0083
HexCer(d18:1/18:0)	0.0275
HexCer(d18:1/18:1)	0.0127
HexCer(d18:1/19:0)	0.0020
HexCer(d18:1/20:0)	0.0790
HexCer(d18:1/22:0)	0.5225
HexCer(d18:1/23:0)	0.3658
HexCer(d18:1/24:0)	0.4088
HexCer(d18:1/24:1)	0.3317
HexCer(d18:1/25:0)	0.0093
HexCer(d18:1/26:0)	0.0097
HexCer(d18:1/26:1)	0.0177
HexCer(d18:2/14:0)	0.0025
HexCer(d18:2/15:0)	0.0020
HexCer(d18:2/16:0)	0.0158
HexCer(d18:2/18:1)	0.0027
HexCer(d18:2/20:0)	0.1697
HexCer(d18:2/20:1)	0.3438
HexCer(d18:2/21:0)	0.0747
HexCer(d18:2/22:0)	0.0577
HexCer(d18:2/23:0)	0.1348
HexCer(d18:2/23:1)	0.0300
HexCer(d18:2/24:1)	0.0350
HexCer(d18:2/24:2)	0.0197
LacCer(d18:0/14:0)	0.0320
LacCer(d18:0/16:0)	0.2612
LacCer(d18:0/18:0)	0.0125
LacCer(d18:0/18:1)	0.0310
LacCer(d18:0/20:0)	0.0375
LacCer(d18:0/22:0)	
LacCer(d18:0/24:0)	0.0213
LacCer(d18:0/24:1)	0.0675
LacCer(d18:0/26:0)	
LacCer(d18:0/26:1)	
LacCer(d18:1/14:0)	0.1013
LacCer(d18:1/16:0)	3.5470
LacCer(d18:1/18:0)	0.0688
LacCer(d18:1/18:1)	0.0415
LacCer(d18:1/20:0)	0.0378
LacCer(d18:1/22:0)	0.1522
LacCer(d18:1/24:0)	0.1893
LacCer(d18:1/24:1)	0.8423
LacCer(d18:1/26:0)	0.0123
LacCer(d18:1/26:1)	0.0268
Sphinganine	0.0643
Sphinganine-P	0.0974
Sphingosine	0.0911
Sphingosine-P	0.3084
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
C16 Sphinganine				5283572		C13915		
C16 Sphinganine-P				52931111				
C16 Sphingosine-P				52931110				
C19 Sphingosine-P				52931109				
C31:0 Sphingomyelin								
C32:0 Sphingomyelin								
C32:1 Sphingomyelin								
C32:2 Sphingomyelin								
C33:0 Sphingomyelin								
C33:1 Sphingomyelin								
C33:2 Sphingomyelin								
C34:0 Sphingomyelin								
C34:1 Sphingomyelin								
C34:2 Sphingomyelin								
C35:0 Sphingomyelin								
C35:1 Sphingomyelin								
C36:0 Sphingomyelin								
C36:1 Sphingomyelin								
C36:2 Sphingomyelin								
C36:3 Sphingomyelin								
C37:1 Sphingomyelin								
C38:0 Sphingomyelin								
C38:1 Sphingomyelin								
C38:2 Sphingomyelin								
C38:3 Sphingomyelin								
C39:1 Sphingomyelin								
C39:2 Sphingomyelin								
C40:0 Sphingomyelin								
C40:1 Sphingomyelin								
C40:2 Sphingomyelin								
C40:3 Sphingomyelin								
C41:1 Sphingomyelin								
C41:2 Sphingomyelin								
C41:3 Sphingomyelin								
C42:1 Sphingomyelin								
C42:2 Sphingomyelin								
C42:3 Sphingomyelin								
C42:4 Sphingomyelin								
C43:1 Sphingomyelin								
C43:2 Sphingomyelin								
C43:3 Sphingomyelin								
C44:1 Sphingomyelin								
C44:2 Sphingomyelin								
C44:3 Sphingomyelin								
Cer(d16:1/17:0)				52931112				
Cer(d16:1/22:0)				10627306				
Cer(d16:1/23:0)				11273482				
Cer(d16:2/23:0)								
Cer(d18:0/13:0)				52931113				
Cer(d18:0/14:0)				10255824				
Cer(d18:0/15:0)				52931114				
Cer(d18:0/16:0)				5283572				
Cer(d18:0/17:0)				52931125				
Cer(d18:0/18:0)				5283573				
Cer(d18:0/18:1)				6442676				
Cer(d18:0/20:0)				5283574				
Cer(d18:0/22:0)				5283575				
Cer(d18:0/24:0)				5283577				
Cer(d18:0/24:1)				5283576				
Cer(d18:0/26:0)				644245				
Cer(d18:0/26:1)				5283578				
Cer(d18:0/26:2)								
Cer(d18:1/14:0)				5282310		C13916		
Cer(d18:1/16:0)				5283564				
Cer(d18:1/17:0)				44584335				
Cer(d18:1/18:0)				5283565				
Cer(d18:1/18:1)				5283563				
Cer(d18:1/19:0)				52931126				
Cer(d18:1/20:0)				5283566				
Cer(d18:1/22:0)				5283567				
Cer(d18:1/23:0)				52931115				
Cer(d18:1/24:0)				5283571				
Cer(d18:1/24:1)				17756770				
Cer(d18:1/25:0)				9547202				
Cer(d18:1/26:0)				5283570				
Cer(d18:1/26:1)				5283569				
Cer(d18:2/14:0)				52931116				
Cer(d18:2/15:0)				52931117				
Cer(d18:2/16:0)				52931118				
Cer(d18:2/18:1)				52931119				
Cer(d18:2/20:0)				52931120				
Cer(d18:2/20:1)				52931121				
Cer(d18:2/21:0)				52931122				
Cer(d18:2/22:0)				52931123				
Cer(d18:2/23:0)				52931124				
Cer(d18:2/23:1)								
Cer(d18:2/24:2)								
HexCer(d16:1/17:0)								
HexCer(d16:1/22:0)								
HexCer(d16:1/23:0)								
HexCer(d16:2/23:0)								
HexCer(d18:0/13:0)								
HexCer(d18:0/14:0)								
HexCer(d18:0/16:0)								
HexCer(d18:0/17:0)								
HexCer(d18:0/18:0)								
HexCer(d18:0/18:1)								
HexCer(d18:0/20:0)								
HexCer(d18:0/22:0)								
HexCer(d18:0/24:0)								
HexCer(d18:0/24:1)								
HexCer(d18:0/26:0)								
HexCer(d18:0/26:1)								
HexCer(d18:0/26:2)								
HexCer(d18:1/14:0)								
HexCer(d18:1/16:0)								
HexCer(d18:1/17:0)								
HexCer(d18:1/18:0)								
HexCer(d18:1/18:1)								
HexCer(d18:1/19:0)								
HexCer(d18:1/20:0)								
HexCer(d18:1/22:0)								
HexCer(d18:1/23:0)								
HexCer(d18:1/24:0)								
HexCer(d18:1/24:1)								
HexCer(d18:1/25:0)								
HexCer(d18:1/26:0)								
HexCer(d18:1/26:1)								
HexCer(d18:2/14:0)								
HexCer(d18:2/15:0)								
HexCer(d18:2/16:0)								
HexCer(d18:2/18:1)								
HexCer(d18:2/20:0)								
HexCer(d18:2/20:1)								
HexCer(d18:2/21:0)								
HexCer(d18:2/22:0)								
HexCer(d18:2/23:0)								
HexCer(d18:2/23:1)								
HexCer(d18:2/24:1)								
HexCer(d18:2/24:2)								
LacCer(d18:0/14:0)				52931263				
LacCer(d18:0/16:0)				52931264				
LacCer(d18:0/18:0)				52931265				
LacCer(d18:0/18:1)				52931271				
LacCer(d18:0/20:0)				52931266				
LacCer(d18:0/22:0)				52931267				
LacCer(d18:0/24:0)				52931268				
LacCer(d18:0/24:1)				53477541				
LacCer(d18:0/26:0)				52931269				
LacCer(d18:0/26:1)				52931270				
LacCer(d18:1/14:0)				52931262				
LacCer(d18:1/16:0)				53477895				
LacCer(d18:1/18:0)				10260120				
LacCer(d18:1/18:1)				53480999				
LacCer(d18:1/20:0)				44260142				
LacCer(d18:1/22:0)				44260143				
LacCer(d18:1/24:0)				44260144				
LacCer(d18:1/24:1)				20057309				
LacCer(d18:1/26:0)				20057311				
LacCer(d18:1/26:1)				44260147				
Sphinganine				91486		C00836		
Sphinganine-P				644260		C01120		
Sphingosine				5280335		C00319		
Sphingosine-P				5283560		C06124		
METABOLITES_END
#END