#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