#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