#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