#METABOLOMICS WORKBENCH juliehaines_20220615_085742 DATATRACK_ID:3306 STUDY_ID:ST002200 ANALYSIS_ID:AN003603 VERSION 1 CREATED_ON 07-26-2022 #PROJECT PR:PROJECT_TITLE Human Trisome Project Plasma Metabolomics v1 PR:PROJECT_SUMMARY Analysis of metabolite relative abundance in blood plasma from 316 individuals PR:PROJECT_SUMMARY with trisomy 21 (T21, Down syndrome) and 103 euploid controls. This dataset PR:PROJECT_SUMMARY focuses on hydrophilic metabolites and oxylipins and is part of the Human PR:PROJECT_SUMMARY Trisome Project (HTP, http://www.trisome.org/) run by the Linda Crnic Institute PR:PROJECT_SUMMARY for Down Syndrome at the University of Colorado Anschutz Medical Campus. This PR:PROJECT_SUMMARY data is generated from samples matched at the blood draw to multiple omics PR:PROJECT_SUMMARY datasets including proteomics, cytokine profiling, RNA-seq, and mass cytometry. PR:PROJECT_SUMMARY The HTP is an in-depth study of people with Down syndrome using the latest PR:PROJECT_SUMMARY technologies in precision medicine. The goal of the HTP is to enable advanced PR:PROJECT_SUMMARY therapeutic approaches to enhance the quality of life and extend the lifespan of PR:PROJECT_SUMMARY those with trisomy 21 through the study of the co-occurring conditions of Down PR:PROJECT_SUMMARY syndrome. The HTP leverages a multidisciplinary team of biomedical researchers, PR:PROJECT_SUMMARY clinicians and data scientists located across multiple departments, divisions, PR:PROJECT_SUMMARY institutes and centers at the University of Colorado who work together toward a PR:PROJECT_SUMMARY single goal: to decipher why people with trisomy 21 have a different disease PR:PROJECT_SUMMARY spectrum, being predisposed to some medical conditions while being protected PR:PROJECT_SUMMARY from others. The HTP Biobank provides de-identified samples and clinical PR:PROJECT_SUMMARY information to collaborators that are necessary for investigations that advance PR:PROJECT_SUMMARY our understanding of several co-occurring medical conditions in Down syndrome. PR:PROJECT_SUMMARY Studies using samples and data from the HTP Biobank are enabling the development PR:PROJECT_SUMMARY of novel diagnostics and therapeutic approaches, serving not only individuals PR:PROJECT_SUMMARY with Down syndrome, but also the billions worldwide affected by conditions that PR:PROJECT_SUMMARY commonly co-occur in Down syndrome. This collaborative and multi-disciplinary PR:PROJECT_SUMMARY model allows for one of the largest and most comprehensive studies of PR:PROJECT_SUMMARY individuals with Down syndrome to date, including extensive characterization at PR:PROJECT_SUMMARY the clinical, physiological, cellular and molecular levels. PR:INSTITUTE University of Colorado Denver PR:LABORATORY PIs - Joaquin Espinosa and Angelo D'Alessandro PR:LAST_NAME Haines PR:FIRST_NAME Julie PR:ADDRESS 12801 E 17th Ave, Room 1303, Aurora, Colorado, 80045, USA PR:EMAIL julie.haines@cuanschutz.edu PR:PHONE 3037243339 PR:DOI http://dx.doi.org/10.21228/M8C99T #STUDY ST:STUDY_TITLE Human Trisome Project Plasma Metabolomics v1 ST:STUDY_SUMMARY Analysis of metabolite relative abundance in blood plasma from 316 individuals ST:STUDY_SUMMARY with trisomy 21 (T21, Down syndrome) and 103 euploid controls. This dataset is ST:STUDY_SUMMARY part of the Human Trisome Project run by the Linda Crnic Institute for Down ST:STUDY_SUMMARY Syndrome at the University of Colorado Anschutz Medical Campus. ST:STUDY_SUMMARY http://www.trisome.org/ ST:INSTITUTE University of Colorado Denver ST:LABORATORY PIs - Joaquin Espinosa and Angelo D'Alessandro ST:LAST_NAME Haines ST:FIRST_NAME Julie ST:ADDRESS 12801 E 17th Ave, Room 1303, Aurora, Colorado, 80045, USA ST:EMAIL julie.haines@cuanschutz.edu ST:PHONE 3037243339 ST:SUBMIT_DATE 2022-06-15 #SUBJECT SU:SUBJECT_TYPE Human SU:SUBJECT_SPECIES Homo sapiens SU:TAXONOMY_ID 9606 #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data SUBJECT_SAMPLE_FACTORS - H-010 Group:D21 RAW_FILE_NAME=H-010; HTP ID=HTP0355B SUBJECT_SAMPLE_FACTORS - H-034 Group:D21 RAW_FILE_NAME=H-034; HTP ID=HTP0492B SUBJECT_SAMPLE_FACTORS - H-036 Group:D21 RAW_FILE_NAME=H-036; HTP ID=HTP0495B SUBJECT_SAMPLE_FACTORS - H-037 Group:D21 RAW_FILE_NAME=H-037; HTP ID=HTP0493B SUBJECT_SAMPLE_FACTORS - H-043 Group:D21 RAW_FILE_NAME=H-043; HTP ID=HTP0520B SUBJECT_SAMPLE_FACTORS - H-051 Group:D21 RAW_FILE_NAME=H-051; HTP ID=HTP0146B SUBJECT_SAMPLE_FACTORS - H-054 Group:D21 RAW_FILE_NAME=H-054; HTP ID=HTP0202B SUBJECT_SAMPLE_FACTORS - H-056 Group:D21 RAW_FILE_NAME=H-056; HTP ID=HTP0208B SUBJECT_SAMPLE_FACTORS - H-057 Group:D21 RAW_FILE_NAME=H-057; HTP ID=HTP0288B SUBJECT_SAMPLE_FACTORS - H-058 Group:D21 RAW_FILE_NAME=H-058; HTP ID=HTP0289B SUBJECT_SAMPLE_FACTORS - H-059 Group:D21 RAW_FILE_NAME=H-059; HTP ID=HTP0290B SUBJECT_SAMPLE_FACTORS - H-063 Group:D21 RAW_FILE_NAME=H-063; HTP ID=HTP0307B SUBJECT_SAMPLE_FACTORS - H-065 Group:D21 RAW_FILE_NAME=H-065; HTP ID=HTP0314B SUBJECT_SAMPLE_FACTORS - H-066 Group:D21 RAW_FILE_NAME=H-066; HTP ID=HTP0316B SUBJECT_SAMPLE_FACTORS - H-069 Group:D21 RAW_FILE_NAME=H-069; HTP ID=HTP0322B SUBJECT_SAMPLE_FACTORS - H-076 Group:D21 RAW_FILE_NAME=H-076; HTP ID=HTP0338B SUBJECT_SAMPLE_FACTORS - H-077 Group:D21 RAW_FILE_NAME=H-077; HTP ID=HTP0346B SUBJECT_SAMPLE_FACTORS - H-080 Group:D21 RAW_FILE_NAME=H-080; HTP ID=HTP0001B2 SUBJECT_SAMPLE_FACTORS - H-081 Group:D21 RAW_FILE_NAME=H-081; HTP ID=HTP0043B2 SUBJECT_SAMPLE_FACTORS - H-082 Group:D21 RAW_FILE_NAME=H-082; HTP ID=HTP0058B2 SUBJECT_SAMPLE_FACTORS - H-084 Group:D21 RAW_FILE_NAME=H-084; HTP ID=HTP0034B3 SUBJECT_SAMPLE_FACTORS - H-085 Group:D21 RAW_FILE_NAME=H-085; HTP ID=HTP0059B2 SUBJECT_SAMPLE_FACTORS - H-088 Group:D21 RAW_FILE_NAME=H-088; HTP ID=HTP0018B3 SUBJECT_SAMPLE_FACTORS - H-089 Group:D21 RAW_FILE_NAME=H-089; HTP ID=HTP0019B2 SUBJECT_SAMPLE_FACTORS - H-091 Group:D21 RAW_FILE_NAME=H-091; HTP ID=HTP0214B2 SUBJECT_SAMPLE_FACTORS - H-092 Group:D21 RAW_FILE_NAME=H-092; HTP ID=HTP0216B2 SUBJECT_SAMPLE_FACTORS - H-101 Group:D21 RAW_FILE_NAME=H-101; HTP ID=HTP0376B SUBJECT_SAMPLE_FACTORS - H-137 Group:D21 RAW_FILE_NAME=H-137; HTP ID=HTP0429B SUBJECT_SAMPLE_FACTORS - H-152 Group:D21 RAW_FILE_NAME=H-152; HTP ID=HTP0455B SUBJECT_SAMPLE_FACTORS - H-154 Group:D21 RAW_FILE_NAME=H-154; HTP ID=HTP0457B SUBJECT_SAMPLE_FACTORS - H-162 Group:D21 RAW_FILE_NAME=H-162; HTP ID=HTP0466B SUBJECT_SAMPLE_FACTORS - H-169 Group:D21 RAW_FILE_NAME=H-169; HTP ID=HTP0498B SUBJECT_SAMPLE_FACTORS - H-170 Group:D21 RAW_FILE_NAME=H-170; HTP ID=HTP0502B SUBJECT_SAMPLE_FACTORS - H-171 Group:D21 RAW_FILE_NAME=H-171; HTP ID=HTP0040B3 SUBJECT_SAMPLE_FACTORS - H-176 Group:D21 RAW_FILE_NAME=H-176; HTP ID=HTP0067B2 SUBJECT_SAMPLE_FACTORS - H-177 Group:D21 RAW_FILE_NAME=H-177; HTP ID=HTP0051B2 SUBJECT_SAMPLE_FACTORS - H-183 Group:D21 RAW_FILE_NAME=H-183; HTP ID=HTP0242B3 SUBJECT_SAMPLE_FACTORS - H-206 Group:D21 RAW_FILE_NAME=H-206; HTP ID=HTP0567B SUBJECT_SAMPLE_FACTORS - H-224 Group:D21 RAW_FILE_NAME=H-224; HTP ID=HTP0582B SUBJECT_SAMPLE_FACTORS - H-231 Group:D21 RAW_FILE_NAME=H-231; HTP ID=HTP0595B SUBJECT_SAMPLE_FACTORS - H-240 Group:D21 RAW_FILE_NAME=H-240; HTP ID=HTP0615B SUBJECT_SAMPLE_FACTORS - H-243 Group:D21 RAW_FILE_NAME=H-243; HTP ID=HTP0444B2 SUBJECT_SAMPLE_FACTORS - H-244 Group:D21 RAW_FILE_NAME=H-244; HTP ID=HTP0447B2 SUBJECT_SAMPLE_FACTORS - H-256 Group:D21 RAW_FILE_NAME=H-256; HTP ID=HTP0648B SUBJECT_SAMPLE_FACTORS - H-261 Group:D21 RAW_FILE_NAME=H-261; HTP ID=HTP0628B SUBJECT_SAMPLE_FACTORS - H-264 Group:D21 RAW_FILE_NAME=H-264; HTP ID=HTP0649B SUBJECT_SAMPLE_FACTORS - H-281 Group:D21 RAW_FILE_NAME=H-281; HTP ID=HTP0653B SUBJECT_SAMPLE_FACTORS - H-283 Group:D21 RAW_FILE_NAME=H-283; HTP ID=HTP0655B SUBJECT_SAMPLE_FACTORS - H-290 Group:D21 RAW_FILE_NAME=H-290; HTP ID=HTP0669B SUBJECT_SAMPLE_FACTORS - H-292 Group:D21 RAW_FILE_NAME=H-292; HTP ID=HTP0062B2 SUBJECT_SAMPLE_FACTORS - H-294 Group:D21 RAW_FILE_NAME=H-294; HTP ID=HTP0677B SUBJECT_SAMPLE_FACTORS - H-298 Group:D21 RAW_FILE_NAME=H-298; HTP ID=HTP0125B SUBJECT_SAMPLE_FACTORS - H-299 Group:D21 RAW_FILE_NAME=H-299; HTP ID=HTP0149B SUBJECT_SAMPLE_FACTORS - H-300 Group:D21 RAW_FILE_NAME=H-300; HTP ID=HTP0206B SUBJECT_SAMPLE_FACTORS - H-301 Group:D21 RAW_FILE_NAME=H-301; HTP ID=HTP0287B SUBJECT_SAMPLE_FACTORS - H-302 Group:D21 RAW_FILE_NAME=H-302; HTP ID=HTP0294B SUBJECT_SAMPLE_FACTORS - H-307 Group:D21 RAW_FILE_NAME=H-307; HTP ID=HTP0085B2 SUBJECT_SAMPLE_FACTORS - H-309 Group:D21 RAW_FILE_NAME=H-309; HTP ID=HTP0347B SUBJECT_SAMPLE_FACTORS - H-310 Group:D21 RAW_FILE_NAME=H-310; HTP ID=HTP0343B SUBJECT_SAMPLE_FACTORS - H-311 Group:D21 RAW_FILE_NAME=H-311; HTP ID=HTP0349B SUBJECT_SAMPLE_FACTORS - H-312 Group:D21 RAW_FILE_NAME=H-312; HTP ID=HTP0055B2 SUBJECT_SAMPLE_FACTORS - H-313 Group:D21 RAW_FILE_NAME=H-313; HTP ID=HTP0044B2 SUBJECT_SAMPLE_FACTORS - H-314 Group:D21 RAW_FILE_NAME=H-314; HTP ID=HTP0042B2 SUBJECT_SAMPLE_FACTORS - H-315 Group:D21 RAW_FILE_NAME=H-315; HTP ID=HTP0057B2 SUBJECT_SAMPLE_FACTORS - H-316 Group:D21 RAW_FILE_NAME=H-316; HTP ID=HTP0352B SUBJECT_SAMPLE_FACTORS - H-320 Group:D21 RAW_FILE_NAME=H-320; HTP ID=HTP0079B2 SUBJECT_SAMPLE_FACTORS - H-321 Group:D21 RAW_FILE_NAME=H-321; HTP ID=HTP0090B2 SUBJECT_SAMPLE_FACTORS - H-322 Group:D21 RAW_FILE_NAME=H-322; HTP ID=HTP0095B2 SUBJECT_SAMPLE_FACTORS - H-323 Group:D21 RAW_FILE_NAME=H-323; HTP ID=HTP0047B2 SUBJECT_SAMPLE_FACTORS - H-324 Group:D21 RAW_FILE_NAME=H-324; HTP ID=HTP0048B2 SUBJECT_SAMPLE_FACTORS - H-325 Group:D21 RAW_FILE_NAME=H-325; HTP ID=HTP0077B2 SUBJECT_SAMPLE_FACTORS - H-326 Group:D21 RAW_FILE_NAME=H-326; HTP ID=HTP0100B2 SUBJECT_SAMPLE_FACTORS - H-327 Group:D21 RAW_FILE_NAME=H-327; HTP ID=HTP0078B2 SUBJECT_SAMPLE_FACTORS - H-328 Group:D21 RAW_FILE_NAME=H-328; HTP ID=HTP0104B2 SUBJECT_SAMPLE_FACTORS - H-329 Group:D21 RAW_FILE_NAME=H-329; HTP ID=HTP0092B2 SUBJECT_SAMPLE_FACTORS - H-330 Group:D21 RAW_FILE_NAME=H-330; HTP ID=HTP0096B2 SUBJECT_SAMPLE_FACTORS - H-339 Group:D21 RAW_FILE_NAME=H-339; HTP ID=HTP0098B2 SUBJECT_SAMPLE_FACTORS - H-340 Group:D21 RAW_FILE_NAME=H-340; HTP ID=HTP0497B SUBJECT_SAMPLE_FACTORS - H-341 Group:D21 RAW_FILE_NAME=H-341; HTP ID=HTP0126B2 SUBJECT_SAMPLE_FACTORS - H-342 Group:D21 RAW_FILE_NAME=H-342; HTP ID=HTP0506B SUBJECT_SAMPLE_FACTORS - H-343 Group:D21 RAW_FILE_NAME=H-343; HTP ID=HTP0061B2 SUBJECT_SAMPLE_FACTORS - H-346 Group:D21 RAW_FILE_NAME=H-346; HTP ID=HTP0026B2 SUBJECT_SAMPLE_FACTORS - H-347 Group:D21 RAW_FILE_NAME=H-347; HTP ID=HTP0148B2 SUBJECT_SAMPLE_FACTORS - H-348 Group:D21 RAW_FILE_NAME=H-348; HTP ID=HTP0523B SUBJECT_SAMPLE_FACTORS - H-349 Group:D21 RAW_FILE_NAME=H-349; HTP ID=HTP0524B SUBJECT_SAMPLE_FACTORS - H-351 Group:D21 RAW_FILE_NAME=H-351; HTP ID=HTP0022B2 SUBJECT_SAMPLE_FACTORS - H-352 Group:D21 RAW_FILE_NAME=H-352; HTP ID=HTP0361B2 SUBJECT_SAMPLE_FACTORS - H-353 Group:D21 RAW_FILE_NAME=H-353; HTP ID=HTP0527B SUBJECT_SAMPLE_FACTORS - H-354 Group:D21 RAW_FILE_NAME=H-354; HTP ID=HTP0111B2 SUBJECT_SAMPLE_FACTORS - H-355 Group:D21 RAW_FILE_NAME=H-355; HTP ID=HTP0127B2 SUBJECT_SAMPLE_FACTORS - H-356 Group:D21 RAW_FILE_NAME=H-356; HTP ID=HTP0105B3 SUBJECT_SAMPLE_FACTORS - H-357 Group:D21 RAW_FILE_NAME=H-357; HTP ID=HTP0035B3 SUBJECT_SAMPLE_FACTORS - H-365 Group:D21 RAW_FILE_NAME=H-365; HTP ID=HTP0551B SUBJECT_SAMPLE_FACTORS - H-367 Group:D21 RAW_FILE_NAME=H-367; HTP ID=HTP0555B SUBJECT_SAMPLE_FACTORS - H-369 Group:D21 RAW_FILE_NAME=H-369; HTP ID=HTP0559B SUBJECT_SAMPLE_FACTORS - H-370 Group:D21 RAW_FILE_NAME=H-370; HTP ID=HTP0573B SUBJECT_SAMPLE_FACTORS - H-371 Group:D21 RAW_FILE_NAME=H-371; HTP ID=HTP0557B SUBJECT_SAMPLE_FACTORS - H-374 Group:D21 RAW_FILE_NAME=H-374; HTP ID=HTP0576B SUBJECT_SAMPLE_FACTORS - H-388 Group:D21 RAW_FILE_NAME=H-388; HTP ID=HTP0087B2 SUBJECT_SAMPLE_FACTORS - H-389 Group:D21 RAW_FILE_NAME=H-389; HTP ID=HTP0508B2 SUBJECT_SAMPLE_FACTORS - H-392 Group:D21 RAW_FILE_NAME=H-392; HTP ID=HTP0147B SUBJECT_SAMPLE_FACTORS - H-398 Group:D21 RAW_FILE_NAME=H-398; HTP ID=HTP0118B SUBJECT_SAMPLE_FACTORS - H-419 Group:D21 RAW_FILE_NAME=H-419; HTP ID=HTP0205B SUBJECT_SAMPLE_FACTORS - H-001 Group:T21 RAW_FILE_NAME=H-001; HTP ID=HTP0318A3 SUBJECT_SAMPLE_FACTORS - H-002 Group:T21 RAW_FILE_NAME=H-002; HTP ID=HTP0321A SUBJECT_SAMPLE_FACTORS - H-003 Group:T21 RAW_FILE_NAME=H-003; HTP ID=HTP0323A SUBJECT_SAMPLE_FACTORS - H-004 Group:T21 RAW_FILE_NAME=H-004; HTP ID=HTP0325A SUBJECT_SAMPLE_FACTORS - H-005 Group:T21 RAW_FILE_NAME=H-005; HTP ID=HTP0327A SUBJECT_SAMPLE_FACTORS - H-006 Group:T21 RAW_FILE_NAME=H-006; HTP ID=HTP0330A SUBJECT_SAMPLE_FACTORS - H-007 Group:T21 RAW_FILE_NAME=H-007; HTP ID=HTP0336A SUBJECT_SAMPLE_FACTORS - H-008 Group:T21 RAW_FILE_NAME=H-008; HTP ID=HTP0339A SUBJECT_SAMPLE_FACTORS - H-009 Group:T21 RAW_FILE_NAME=H-009; HTP ID=HTP0341A SUBJECT_SAMPLE_FACTORS - H-011 Group:T21 RAW_FILE_NAME=H-011; HTP ID=HTP0357A SUBJECT_SAMPLE_FACTORS - H-012 Group:T21 RAW_FILE_NAME=H-012; HTP ID=HTP0073A2 SUBJECT_SAMPLE_FACTORS - H-013 Group:T21 RAW_FILE_NAME=H-013; HTP ID=HTP0364A SUBJECT_SAMPLE_FACTORS - H-014 Group:T21 RAW_FILE_NAME=H-014; HTP ID=HTP0103A2 SUBJECT_SAMPLE_FACTORS - H-015 Group:T21 RAW_FILE_NAME=H-015; HTP ID=HTP0367A SUBJECT_SAMPLE_FACTORS - H-016 Group:T21 RAW_FILE_NAME=H-016; HTP ID=HTP0368A SUBJECT_SAMPLE_FACTORS - H-017 Group:T21 RAW_FILE_NAME=H-017; HTP ID=HTP0101A2 SUBJECT_SAMPLE_FACTORS - H-018 Group:T21 RAW_FILE_NAME=H-018; HTP ID=HTP0406A SUBJECT_SAMPLE_FACTORS - H-019 Group:T21 RAW_FILE_NAME=H-019; HTP ID=HTP0420A SUBJECT_SAMPLE_FACTORS - H-020 Group:T21 RAW_FILE_NAME=H-020; HTP ID=HTP0421A SUBJECT_SAMPLE_FACTORS - H-021 Group:T21 RAW_FILE_NAME=H-021; HTP ID=HTP0422A SUBJECT_SAMPLE_FACTORS - H-022 Group:T21 RAW_FILE_NAME=H-022; HTP ID=HTP0432A SUBJECT_SAMPLE_FACTORS - H-023 Group:T21 RAW_FILE_NAME=H-023; HTP ID=HTP0470A SUBJECT_SAMPLE_FACTORS - H-024 Group:T21 RAW_FILE_NAME=H-024; HTP ID=HTP0472A SUBJECT_SAMPLE_FACTORS - H-025 Group:T21 RAW_FILE_NAME=H-025; HTP ID=HTP0473A SUBJECT_SAMPLE_FACTORS - H-026 Group:T21 RAW_FILE_NAME=H-026; HTP ID=HTP0474A SUBJECT_SAMPLE_FACTORS - H-027 Group:T21 RAW_FILE_NAME=H-027; HTP ID=HTP0477A SUBJECT_SAMPLE_FACTORS - H-028 Group:T21 RAW_FILE_NAME=H-028; HTP ID=HTP0479A SUBJECT_SAMPLE_FACTORS - H-029 Group:T21 RAW_FILE_NAME=H-029; HTP ID=HTP0484A SUBJECT_SAMPLE_FACTORS - H-030 Group:T21 RAW_FILE_NAME=H-030; HTP ID=HTP0485A SUBJECT_SAMPLE_FACTORS - H-031 Group:T21 RAW_FILE_NAME=H-031; HTP ID=HTP0487A SUBJECT_SAMPLE_FACTORS - H-032 Group:T21 RAW_FILE_NAME=H-032; HTP ID=HTP0488A SUBJECT_SAMPLE_FACTORS - H-033 Group:T21 RAW_FILE_NAME=H-033; HTP ID=HTP0491A SUBJECT_SAMPLE_FACTORS - H-035 Group:T21 RAW_FILE_NAME=H-035; HTP ID=HTP0494A SUBJECT_SAMPLE_FACTORS - H-038 Group:T21 RAW_FILE_NAME=H-038; HTP ID=HTP0501A SUBJECT_SAMPLE_FACTORS - H-039 Group:T21 RAW_FILE_NAME=H-039; HTP ID=HTP0507A SUBJECT_SAMPLE_FACTORS - H-040 Group:T21 RAW_FILE_NAME=H-040; HTP ID=HTP0514A SUBJECT_SAMPLE_FACTORS - H-041 Group:T21 RAW_FILE_NAME=H-041; HTP ID=HTP0517A SUBJECT_SAMPLE_FACTORS - H-042 Group:T21 RAW_FILE_NAME=H-042; HTP ID=HTP0519A SUBJECT_SAMPLE_FACTORS - H-044 Group:T21 RAW_FILE_NAME=H-044; HTP ID=HTP0540A SUBJECT_SAMPLE_FACTORS - H-045 Group:T21 RAW_FILE_NAME=H-045; HTP ID=HTP0560A SUBJECT_SAMPLE_FACTORS - H-046 Group:T21 RAW_FILE_NAME=H-046; HTP ID=HTP0594A SUBJECT_SAMPLE_FACTORS - H-047 Group:T21 RAW_FILE_NAME=H-047; HTP ID=HTP0587A SUBJECT_SAMPLE_FACTORS - H-048 Group:T21 RAW_FILE_NAME=H-048; HTP ID=HTP0603A SUBJECT_SAMPLE_FACTORS - H-049 Group:T21 RAW_FILE_NAME=H-049; HTP ID=HTP0629A SUBJECT_SAMPLE_FACTORS - H-050 Group:T21 RAW_FILE_NAME=H-050; HTP ID=HTP0123A SUBJECT_SAMPLE_FACTORS - H-052 Group:T21 RAW_FILE_NAME=H-052; HTP ID=HTP0198A3 SUBJECT_SAMPLE_FACTORS - H-053 Group:T21 RAW_FILE_NAME=H-053; HTP ID=HTP0204A SUBJECT_SAMPLE_FACTORS - H-055 Group:T21 RAW_FILE_NAME=H-055; HTP ID=HTP0207A4 SUBJECT_SAMPLE_FACTORS - H-060 Group:T21 RAW_FILE_NAME=H-060; HTP ID=HTP0293A SUBJECT_SAMPLE_FACTORS - H-061 Group:T21 RAW_FILE_NAME=H-061; HTP ID=HTP0301A3 SUBJECT_SAMPLE_FACTORS - H-062 Group:T21 RAW_FILE_NAME=H-062; HTP ID=HTP0303A SUBJECT_SAMPLE_FACTORS - H-064 Group:T21 RAW_FILE_NAME=H-064; HTP ID=HTP0310A SUBJECT_SAMPLE_FACTORS - H-067 Group:T21 RAW_FILE_NAME=H-067; HTP ID=HTP0319A SUBJECT_SAMPLE_FACTORS - H-068 Group:T21 RAW_FILE_NAME=H-068; HTP ID=HTP0320A2 SUBJECT_SAMPLE_FACTORS - H-070 Group:T21 RAW_FILE_NAME=H-070; HTP ID=HTP0326A SUBJECT_SAMPLE_FACTORS - H-071 Group:T21 RAW_FILE_NAME=H-071; HTP ID=HTP0328A SUBJECT_SAMPLE_FACTORS - H-072 Group:T21 RAW_FILE_NAME=H-072; HTP ID=HTP0332A SUBJECT_SAMPLE_FACTORS - H-073 Group:T21 RAW_FILE_NAME=H-073; HTP ID=HTP0333A2 SUBJECT_SAMPLE_FACTORS - H-074 Group:T21 RAW_FILE_NAME=H-074; HTP ID=HTP0334A2 SUBJECT_SAMPLE_FACTORS - H-075 Group:T21 RAW_FILE_NAME=H-075; HTP ID=HTP0335A2 SUBJECT_SAMPLE_FACTORS - H-078 Group:T21 RAW_FILE_NAME=H-078; HTP ID=HTP0348A SUBJECT_SAMPLE_FACTORS - H-079 Group:T21 RAW_FILE_NAME=H-079; HTP ID=HTP0342A SUBJECT_SAMPLE_FACTORS - H-083 Group:T21 RAW_FILE_NAME=H-083; HTP ID=HTP0354A SUBJECT_SAMPLE_FACTORS - H-086 Group:T21 RAW_FILE_NAME=H-086; HTP ID=HTP0054A2 SUBJECT_SAMPLE_FACTORS - H-087 Group:T21 RAW_FILE_NAME=H-087; HTP ID=HTP0017A4 SUBJECT_SAMPLE_FACTORS - H-090 Group:T21 RAW_FILE_NAME=H-090; HTP ID=HTP0036A2 SUBJECT_SAMPLE_FACTORS - H-093 Group:T21 RAW_FILE_NAME=H-093; HTP ID=HTP0219A2 SUBJECT_SAMPLE_FACTORS - H-094 Group:T21 RAW_FILE_NAME=H-094; HTP ID=HTP0241A2 SUBJECT_SAMPLE_FACTORS - H-095 Group:T21 RAW_FILE_NAME=H-095; HTP ID=HTP0247A2 SUBJECT_SAMPLE_FACTORS - H-096 Group:T21 RAW_FILE_NAME=H-096; HTP ID=HTP0251A2 SUBJECT_SAMPLE_FACTORS - H-097 Group:T21 RAW_FILE_NAME=H-097; HTP ID=HTP0261A2 SUBJECT_SAMPLE_FACTORS - H-098 Group:T21 RAW_FILE_NAME=H-098; HTP ID=HTP0263A2 SUBJECT_SAMPLE_FACTORS - H-099 Group:T21 RAW_FILE_NAME=H-099; HTP ID=HTP0236A2 SUBJECT_SAMPLE_FACTORS - H-100 Group:T21 RAW_FILE_NAME=H-100; HTP ID=HTP0374A SUBJECT_SAMPLE_FACTORS - H-102 Group:T21 RAW_FILE_NAME=H-102; HTP ID=HTP0378A SUBJECT_SAMPLE_FACTORS - H-103 Group:T21 RAW_FILE_NAME=H-103; HTP ID=HTP0379A SUBJECT_SAMPLE_FACTORS - H-104 Group:T21 RAW_FILE_NAME=H-104; HTP ID=HTP0381A SUBJECT_SAMPLE_FACTORS - H-105 Group:T21 RAW_FILE_NAME=H-105; HTP ID=HTP0384A SUBJECT_SAMPLE_FACTORS - H-106 Group:T21 RAW_FILE_NAME=H-106; HTP ID=HTP0385A SUBJECT_SAMPLE_FACTORS - H-107 Group:T21 RAW_FILE_NAME=H-107; HTP ID=HTP0386A SUBJECT_SAMPLE_FACTORS - H-108 Group:T21 RAW_FILE_NAME=H-108; HTP ID=HTP0387A SUBJECT_SAMPLE_FACTORS - H-109 Group:T21 RAW_FILE_NAME=H-109; HTP ID=HTP0388A SUBJECT_SAMPLE_FACTORS - H-110 Group:T21 RAW_FILE_NAME=H-110; HTP ID=HTP0389A SUBJECT_SAMPLE_FACTORS - H-111 Group:T21 RAW_FILE_NAME=H-111; HTP ID=HTP0390A SUBJECT_SAMPLE_FACTORS - H-112 Group:T21 RAW_FILE_NAME=H-112; HTP ID=HTP0391A SUBJECT_SAMPLE_FACTORS - H-113 Group:T21 RAW_FILE_NAME=H-113; 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HTP ID=HTP0262A2 SUBJECT_SAMPLE_FACTORS - H-332 Group:T21 RAW_FILE_NAME=H-332; HTP ID=HTP0230A2 SUBJECT_SAMPLE_FACTORS - H-333 Group:T21 RAW_FILE_NAME=H-333; HTP ID=HTP0375A SUBJECT_SAMPLE_FACTORS - H-334 Group:T21 RAW_FILE_NAME=H-334; HTP ID=HTP0407A SUBJECT_SAMPLE_FACTORS - H-335 Group:T21 RAW_FILE_NAME=H-335; HTP ID=HTP0415A SUBJECT_SAMPLE_FACTORS - H-336 Group:T21 RAW_FILE_NAME=H-336; HTP ID=HTP0445A SUBJECT_SAMPLE_FACTORS - H-337 Group:T21 RAW_FILE_NAME=H-337; HTP ID=HTP0476A SUBJECT_SAMPLE_FACTORS - H-338 Group:T21 RAW_FILE_NAME=H-338; HTP ID=HTP0066A2 SUBJECT_SAMPLE_FACTORS - H-344 Group:T21 RAW_FILE_NAME=H-344; HTP ID=HTP0005A3 SUBJECT_SAMPLE_FACTORS - H-345 Group:T21 RAW_FILE_NAME=H-345; HTP ID=HTP0025A3 SUBJECT_SAMPLE_FACTORS - H-350 Group:T21 RAW_FILE_NAME=H-350; HTP ID=HTP0050A3 SUBJECT_SAMPLE_FACTORS - H-358 Group:T21 RAW_FILE_NAME=H-358; HTP ID=HTP0439A2 SUBJECT_SAMPLE_FACTORS - H-359 Group:T21 RAW_FILE_NAME=H-359; HTP ID=HTP0070A3 SUBJECT_SAMPLE_FACTORS - H-360 Group:T21 RAW_FILE_NAME=H-360; HTP ID=HTP0534A SUBJECT_SAMPLE_FACTORS - H-361 Group:T21 RAW_FILE_NAME=H-361; HTP ID=HTP0213A3 SUBJECT_SAMPLE_FACTORS - H-362 Group:T21 RAW_FILE_NAME=H-362; HTP ID=HTP0537A SUBJECT_SAMPLE_FACTORS - H-363 Group:T21 RAW_FILE_NAME=H-363; HTP ID=HTP0546A SUBJECT_SAMPLE_FACTORS - H-364 Group:T21 RAW_FILE_NAME=H-364; HTP ID=HTP0548A SUBJECT_SAMPLE_FACTORS - H-366 Group:T21 RAW_FILE_NAME=H-366; HTP ID=HTP0539A SUBJECT_SAMPLE_FACTORS - H-368 Group:T21 RAW_FILE_NAME=H-368; HTP ID=HTP0226A3 SUBJECT_SAMPLE_FACTORS - H-372 Group:T21 RAW_FILE_NAME=H-372; HTP ID=HTP0572A SUBJECT_SAMPLE_FACTORS - H-373 Group:T21 RAW_FILE_NAME=H-373; HTP ID=HTP0574A SUBJECT_SAMPLE_FACTORS - H-375 Group:T21 RAW_FILE_NAME=H-375; HTP ID=HTP0578A SUBJECT_SAMPLE_FACTORS - H-376 Group:T21 RAW_FILE_NAME=H-376; HTP ID=HTP0277A3 SUBJECT_SAMPLE_FACTORS - H-377 Group:T21 RAW_FILE_NAME=H-377; HTP ID=HTP0598A SUBJECT_SAMPLE_FACTORS - H-378 Group:T21 RAW_FILE_NAME=H-378; HTP ID=HTP0600A SUBJECT_SAMPLE_FACTORS - H-379 Group:T21 RAW_FILE_NAME=H-379; HTP ID=HTP0609A SUBJECT_SAMPLE_FACTORS - H-380 Group:T21 RAW_FILE_NAME=H-380; HTP ID=HTP0616A SUBJECT_SAMPLE_FACTORS - H-381 Group:T21 RAW_FILE_NAME=H-381; HTP ID=HTP0647A SUBJECT_SAMPLE_FACTORS - H-382 Group:T21 RAW_FILE_NAME=H-382; HTP ID=HTP0399A2 SUBJECT_SAMPLE_FACTORS - H-383 Group:T21 RAW_FILE_NAME=H-383; HTP ID=HTP0625A SUBJECT_SAMPLE_FACTORS - H-384 Group:T21 RAW_FILE_NAME=H-384; HTP ID=HTP0665A SUBJECT_SAMPLE_FACTORS - H-385 Group:T21 RAW_FILE_NAME=H-385; HTP ID=HTP0661A SUBJECT_SAMPLE_FACTORS - H-386 Group:T21 RAW_FILE_NAME=H-386; HTP ID=HTP0015A4 SUBJECT_SAMPLE_FACTORS - H-387 Group:T21 RAW_FILE_NAME=H-387; HTP ID=HTP0109A3 SUBJECT_SAMPLE_FACTORS - H-390 Group:T21 RAW_FILE_NAME=H-390; HTP ID=HTP0116A2 SUBJECT_SAMPLE_FACTORS - H-391 Group:T21 RAW_FILE_NAME=H-391; HTP ID=HTP0107A3 SUBJECT_SAMPLE_FACTORS - H-393 Group:T21 RAW_FILE_NAME=H-393; HTP ID=HTP0151A SUBJECT_SAMPLE_FACTORS - H-394 Group:T21 RAW_FILE_NAME=H-394; HTP ID=HTP0295A SUBJECT_SAMPLE_FACTORS - H-395 Group:T21 RAW_FILE_NAME=H-395; HTP ID=HTP0296A SUBJECT_SAMPLE_FACTORS - H-396 Group:T21 RAW_FILE_NAME=H-396; HTP ID=HTP0512A SUBJECT_SAMPLE_FACTORS - H-397 Group:T21 RAW_FILE_NAME=H-397; HTP ID=HTP0516A SUBJECT_SAMPLE_FACTORS - H-399 Group:T21 RAW_FILE_NAME=H-399; HTP ID=HTP0119A SUBJECT_SAMPLE_FACTORS - H-400 Group:T21 RAW_FILE_NAME=H-400; HTP ID=HTP0298A SUBJECT_SAMPLE_FACTORS - H-401 Group:T21 RAW_FILE_NAME=H-401; HTP ID=HTP0300A SUBJECT_SAMPLE_FACTORS - H-402 Group:T21 RAW_FILE_NAME=H-402; HTP ID=HTP0306A SUBJECT_SAMPLE_FACTORS - H-403 Group:T21 RAW_FILE_NAME=H-403; HTP ID=HTP0331A SUBJECT_SAMPLE_FACTORS - H-404 Group:T21 RAW_FILE_NAME=H-404; HTP ID=HTP0337A SUBJECT_SAMPLE_FACTORS - H-405 Group:T21 RAW_FILE_NAME=H-405; HTP ID=HTP0340A SUBJECT_SAMPLE_FACTORS - H-406 Group:T21 RAW_FILE_NAME=H-406; HTP ID=HTP0351A SUBJECT_SAMPLE_FACTORS - H-407 Group:T21 RAW_FILE_NAME=H-407; HTP ID=HTP0370A SUBJECT_SAMPLE_FACTORS - H-408 Group:T21 RAW_FILE_NAME=H-408; HTP ID=HTP0373A SUBJECT_SAMPLE_FACTORS - H-409 Group:T21 RAW_FILE_NAME=H-409; HTP ID=HTP0380A SUBJECT_SAMPLE_FACTORS - H-410 Group:T21 RAW_FILE_NAME=H-410; HTP ID=HTP0382A SUBJECT_SAMPLE_FACTORS - H-411 Group:T21 RAW_FILE_NAME=H-411; HTP ID=HTP0392A SUBJECT_SAMPLE_FACTORS - H-412 Group:T21 RAW_FILE_NAME=H-412; HTP ID=HTP0395A SUBJECT_SAMPLE_FACTORS - H-413 Group:T21 RAW_FILE_NAME=H-413; HTP ID=HTP0397A SUBJECT_SAMPLE_FACTORS - H-414 Group:T21 RAW_FILE_NAME=H-414; HTP ID=HTP0402A SUBJECT_SAMPLE_FACTORS - H-415 Group:T21 RAW_FILE_NAME=H-415; HTP ID=HTP0451A SUBJECT_SAMPLE_FACTORS - H-416 Group:T21 RAW_FILE_NAME=H-416; HTP ID=HTP0462A SUBJECT_SAMPLE_FACTORS - H-417 Group:T21 RAW_FILE_NAME=H-417; HTP ID=HTP0478A SUBJECT_SAMPLE_FACTORS - H-418 Group:T21 RAW_FILE_NAME=H-418; HTP ID=HTP0510A #COLLECTION CO:COLLECTION_SUMMARY All study participants were enrolled in the Crnic Institute Human Trisome CO:COLLECTION_SUMMARY Project (HTP) under a study protocol approved by the Colorado Multiple CO:COLLECTION_SUMMARY Institutional Review Board (NCT02864108, see also www.trisome.org). Written CO:COLLECTION_SUMMARY informed consent was obtained from all study participants or their legal CO:COLLECTION_SUMMARY guardians. Data were generated from deidentified biospecimens and linked to CO:COLLECTION_SUMMARY demographics and clinical metadata for analysis. Peripheral blood samples were CO:COLLECTION_SUMMARY collected into BD Vacutainer K2 EDTA tubes (BD, Cat # 366643) and processed CO:COLLECTION_SUMMARY within 2 hrs of blood draw by centrifugation at 700 x g for 15 min to separate CO:COLLECTION_SUMMARY plasma, buffy coat (white blood cells, WBCs), and red blood cells (RBCs) which CO:COLLECTION_SUMMARY were aliquoted, flash-frozen, and stored at -80°C. Subsequent processing was CO:COLLECTION_SUMMARY carried out as described below, with aliquots selected to minimize freeze/thaw CO:COLLECTION_SUMMARY cycles. CO:SAMPLE_TYPE Blood (plasma) #TREATMENT TR:TREATMENT_SUMMARY n/a #SAMPLEPREP SP:SAMPLEPREP_SUMMARY Metabolite extraction: Samples were thawed on ice and 20 μL of sample was SP:SAMPLEPREP_SUMMARY diluted in 480 μL of LC-MS grade cold methanol/acetonitrile/water (5:3:2). SP:SAMPLEPREP_SUMMARY Samples were incubated at 4°C for 30 min with vigorous vortexing. Supernatants SP:SAMPLEPREP_SUMMARY were clarified by centrifugation (10 min, 18,213 g, 4C) then 50 uL aliquots were SP:SAMPLEPREP_SUMMARY transferred to autosampler vials. Lipid extraction: Samples were thawed on ice SP:SAMPLEPREP_SUMMARY and 10 uL of sample was diluted in 90 uL of LC-MS grade cold methanol. Samples SP:SAMPLEPREP_SUMMARY were briefly vortexed to mix then incubated for 30 min at -20C. Supernatants SP:SAMPLEPREP_SUMMARY were clarified by centrifugation (10 min, 18,213 g, 4C) then 25 uL aliquots were SP:SAMPLEPREP_SUMMARY transferred to autosampler vials and diluted with 25 uL of 10 mM ammonium SP:SAMPLEPREP_SUMMARY acetate. #CHROMATOGRAPHY CH:CHROMATOGRAPHY_SUMMARY 15 minute positive metabolites CH:METHODS_FILENAME Merged_chromatography_methods_metabolites_and_lipids.docx CH:INSTRUMENT_NAME Thermo Vanquish CH:COLUMN_NAME Waters ACQUITY HSS T3 2.1 × 150 mm, 1.8 μm CH:CHROMATOGRAPHY_TYPE Reversed phase #ANALYSIS AN:ANALYSIS_TYPE MS #MS MS:INSTRUMENT_NAME Thermo Q Exactive Orbitrap MS:INSTRUMENT_TYPE Orbitrap MS:MS_TYPE ESI MS:MS_COMMENTS Resolution 70,000, scan range 150-1500 m/z, maximum injection time 200 ms, MS:MS_COMMENTS microscans 2, automatic gain control (AGC) 3 x 10^6 ions, source voltage 4.0 kV, MS:MS_COMMENTS capillary temperature 320 C, and sheath gas 45, auxiliary gas 15, and sweep gas MS:MS_COMMENTS 0 (all nitrogen). Data converted to mzXML using RawConverter. Metabolites were MS:MS_COMMENTS annotated and integrated using Maven in conjunction with the KEGG database. MS:ION_MODE POSITIVE #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS peak area MS_METABOLITE_DATA_START Samples H-010 H-034 H-036 H-037 H-043 H-051 H-054 H-056 H-057 H-058 H-059 H-063 H-065 H-066 H-069 H-076 H-077 H-080 H-081 H-082 H-084 H-085 H-088 H-089 H-091 H-092 H-101 H-137 H-152 H-154 H-162 H-169 H-170 H-171 H-176 H-177 H-183 H-206 H-224 H-231 H-240 H-243 H-244 H-256 H-261 H-264 H-281 H-283 H-290 H-292 H-294 H-298 H-299 H-300 H-301 H-302 H-307 H-309 H-310 H-311 H-312 H-313 H-314 H-315 H-316 H-320 H-321 H-322 H-323 H-324 H-325 H-326 H-327 H-328 H-329 H-330 H-339 H-340 H-341 H-342 H-343 H-346 H-347 H-348 H-349 H-351 H-352 H-353 H-354 H-355 H-356 H-357 H-365 H-367 H-369 H-370 H-371 H-374 H-388 H-389 H-392 H-398 H-419 H-001 H-002 H-003 H-004 H-005 H-006 H-007 H-008 H-009 H-011 H-012 H-013 H-014 H-015 H-016 H-017 H-018 H-019 H-020 H-021 H-022 H-023 H-024 H-025 H-026 H-027 H-028 H-029 H-030 H-031 H-032 H-033 H-035 H-038 H-039 H-040 H-041 H-042 H-044 H-045 H-046 H-047 H-048 H-049 H-050 H-052 H-053 H-055 H-060 H-061 H-062 H-064 H-067 H-068 H-070 H-071 H-072 H-073 H-074 H-075 H-078 H-079 H-083 H-086 H-087 H-090 H-093 H-094 H-095 H-096 H-097 H-098 H-099 H-100 H-102 H-103 H-104 H-105 H-106 H-107 H-108 H-109 H-110 H-111 H-112 H-113 H-114 H-115 H-116 H-117 H-118 H-119 H-120 H-121 H-122 H-123 H-124 H-125 H-126 H-127 H-128 H-129 H-130 H-131 H-132 H-133 H-134 H-135 H-136 H-138 H-139 H-140 H-141 H-142 H-143 H-144 H-145 H-146 H-147 H-148 H-149 H-150 H-151 H-153 H-155 H-156 H-157 H-158 H-159 H-160 H-161 H-163 H-164 H-165 H-166 H-167 H-168 H-172 H-173 H-174 H-175 H-178 H-179 H-180 H-181 H-182 H-184 H-185 H-186 H-187 H-188 H-189 H-190 H-191 H-192 H-193 H-194 H-195 H-196 H-197 H-198 H-199 H-200 H-201 H-202 H-203 H-204 H-205 H-207 H-208 H-209 H-210 H-211 H-212 H-213 H-214 H-215 H-216 H-217 H-218 H-219 H-220 H-221 H-222 H-223 H-225 H-226 H-227 H-228 H-229 H-230 H-232 H-233 H-234 H-235 H-236 H-237 H-238 H-239 H-241 H-242 H-245 H-246 H-247 H-248 H-249 H-250 H-251 H-252 H-253 H-254 H-255 H-257 H-258 H-259 H-260 H-262 H-263 H-265 H-266 H-267 H-268 H-269 H-270 H-271 H-272 H-273 H-274 H-275 H-276 H-277 H-278 H-279 H-280 H-282 H-284 H-285 H-286 H-287 H-288 H-289 H-291 H-293 H-295 H-296 H-297 H-303 H-304 H-305 H-306 H-308 H-317 H-318 H-319 H-331 H-332 H-333 H-334 H-335 H-336 H-337 H-338 H-344 H-345 H-350 H-358 H-359 H-360 H-361 H-362 H-363 H-364 H-366 H-368 H-372 H-373 H-375 H-376 H-377 H-378 H-379 H-380 H-381 H-382 H-383 H-384 H-385 H-386 H-387 H-390 H-391 H-393 H-394 H-395 H-396 H-397 H-399 H-400 H-401 H-402 H-403 H-404 H-405 H-406 H-407 H-408 H-409 H-410 H-411 H-412 H-413 H-414 H-415 H-416 H-417 H-418 Factors Group:D21 Group:D21 Group:D21 Group:D21 Group:D21 Group:D21 Group:D21 Group:D21 Group:D21 Group:D21 Group:D21 Group:D21 Group:D21 Group:D21 Group:D21 Group:D21 Group:D21 Group:D21 Group:D21 Group:D21 Group:D21 Group:D21 Group:D21 Group:D21 Group:D21 Group:D21 Group:D21 Group:D21 Group:D21 Group:D21 Group:D21 Group:D21 Group:D21 Group:D21 Group:D21 Group:D21 Group:D21 Group:D21 Group:D21 Group:D21 Group:D21 Group:D21 Group:D21 Group:D21 Group:D21 Group:D21 Group:D21 Group:D21 Group:D21 Group:D21 Group:D21 Group:D21 Group:D21 Group:D21 Group:D21 Group:D21 Group:D21 Group:D21 Group:D21 Group:D21 Group:D21 Group:D21 Group:D21 Group:D21 Group:D21 Group:D21 Group:D21 Group:D21 Group:D21 Group:D21 Group:D21 Group:D21 Group:D21 Group:D21 Group:D21 Group:D21 Group:D21 Group:D21 Group:D21 Group:D21 Group:D21 Group:D21 Group:D21 Group:D21 Group:D21 Group:D21 Group:D21 Group:D21 Group:D21 Group:D21 Group:D21 Group:D21 Group:D21 Group:D21 Group:D21 Group:D21 Group:D21 Group:D21 Group:D21 Group:D21 Group:D21 Group:D21 Group:D21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 Group:T21 acyl-C12:1 (O-dodecenoyl-carnitine) 91500.0000 278833.0000 128982.0000 314922.0000 287277.0000 153948.0000 242886.0000 167125.0000 113472.0000 274008.0000 178980.0000 289404.0000 125213.0000 220715.0000 58154.0000 76221.0000 272684.0000 152077.0000 189257.0000 856352.0000 605619.0000 498408.0000 252138.0000 310838.0000 553193.0000 162326.0000 209136.0000 752837.0000 479541.0000 206831.0000 314896.0000 65312.0000 113071.0000 257164.0000 639458.0000 424623.0000 471307.0000 633498.0000 74125.0000 119259.0000 86848.0000 377447.0000 143123.0000 93449.0000 40501.0000 191966.0000 279699.0000 281501.0000 210379.0000 537254.0000 396154.0000 505838.0000 369868.0000 55886.0000 284331.0000 479292.0000 405162.0000 414155.0000 209101.0000 361137.0000 286887.0000 1072639.0000 199913.0000 561257.0000 215160.0000 64604.0000 131180.0000 145815.0000 69584.0000 89840.0000 54999.0000 264577.0000 392737.0000 184643.0000 193829.0000 325227.0000 154884.0000 238397.0000 219548.0000 334617.0000 54132.0000 311031.0000 48368.0000 414774.0000 529752.0000 245679.0000 97095.0000 131325.0000 171492.0000 126323.0000 256493.0000 590469.0000 88495.0000 284522.0000 492045.0000 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23635.9389 20413.6129 25818.6030 27522.5635 25080.2471 37071.6022 19206.9809 93058.4863 37407.0272 18911.3154 69732.7539 36875.4801 43255.5475 15759.2499 51221.2415 64441.0400 49073.3902 84231.5612 54542.5542 83732.6846 153439.2784 77295.2811 29501.1906 75530.9001 54306.1471 469309.9872 22897.4842 74634.7094 41828.6391 39016.6418 79962.3447 91334.0507 53895.3818 41995.8314 32378.6545 24385.8243 76762.7801 106270.4424 73701.9701 68369.5702 44257.8640 109747.4590 63258.7363 119377.9750 66168.1990 421450.6484 67171.4671 42348.6117 56692.2514 144311.1419 67049.4776 210880.9932 80988.1179 95985.0397 69832.3013 103477.9714 63543.4797 26512.7474 46101.0920 50168.2873 33986.6803 58559.2842 83647.3756 42257.5026 52774.4260 689391.3535 84221.7229 47920.3801 112434.1374 139466.6723 155212.8988 67074.9626 74949.9208 75214.1262 42203.4103 30118.7438 27256.5221 49593.9809 26656.4363 123233.5896 150363.1998 56093.2434 81133.7951 78613.0201 63263.6084 25106.7109 74673.7423 75598.9687 50118.9277 181338.1331 136121.9074 94608.7565 204388.1619 137131.6120 137984.1471 105909.7915 72629.3154 102494.6786 175553.5402 181268.4785 69232.8549 62776.5418 93258.7084 135338.6938 110485.4301 70465.0618 98982.8896 49542.7795 51375.0290 132839.7051 73428.8396 72637.5658 88542.8924 35029.6968 120045.8801 96833.0057 28496.7109 31123.4431 93908.6317 142385.7385 148423.7813 434617.0670 251630.7669 148360.4629 143410.6387 67123.2608 140737.6282 50266.5291 98645.8517 81507.0357 49417.4985 547907.2664 622345.9047 79773.2546 24406.7308 89196.3355 41149.3894 61084.7527 389342.3876 218020.7245 219157.2874 205903.4681 288602.8701 92272.2415 84546.6598 167787.7932 103492.0418 87916.6856 81180.2320 101098.2818 56228.5481 55732.5377 107082.3453 92401.2211 98947.3868 86220.8472 139761.4361 117695.6499 97391.8182 73268.8658 64496.6948 83333.1854 76656.7795 115685.7972 84727.4385 108763.0034 102196.2123 127980.1649 56919.8529 721264.8898 95919.3991 210107.6162 74741.8914 476502.7114 62305.6237 115759.8013 39608.0470 105887.2071 24902.9902 59332.1187 90130.4538 134745.6973 27337.2705 158025.5677 111967.2586 224799.7687 122888.9674 115464.7179 209998.8202 81849.7253 49935.6973 64245.3925 56377.0548 143968.3132 226265.5728 63481.4066 152608.0141 226627.6994 124436.7630 68526.2888 101643.5890 78011.5113 82065.9842 50185.1629 60388.4735 31008.0323 242533.1053 72086.8369 46509.8780 86383.0177 57604.2859 24921.0947 30942.7963 128887.7104 84139.6543 23900.4575 207624.1233 16907.3007 121815.8471 26151.2214 61886.9526 18199.1436 33586.7563 86214.4498 41170.3188 28533.2952 99059.7973 1588191.4130 300428.0630 176711.8368 45552.4384 459332.5037 426274.5248 201968.9805 786245.8554 273664.5385 218261.6119 170702.4451 102870.2503 76777.7578 264944.4600 140719.1029 105010.7651 62669.2676 231822.4923 101260.9659 96532.6843 70922.8072 156822.7678 342039.7180 338302.3730 142007.4609 218556.7030 180061.7906 170329.5371 165891.3149 175308.2367 110218.8106 207581.6650 139002.2856 134971.1974 216431.5499 172521.0352 127417.4241 119385.8582 275760.4381 421311.0967 200670.4437 137807.6403 129178.6325 132835.0685 124740.8010 105609.9749 100680.6361 104437.9998 159306.6899 89045.7046 283047.2116 290810.3753 281882.1140 127231.3238 158124.5848 237775.5687 128001.4064 102372.0020 175451.6174 297172.5956 173242.2484 114402.7721 117607.7338 58242.4890 47225.3779 70980.4727 88188.4917 38008.7942 33393.7328 64945.4960 61228.1582 62544.5778 67613.3219 36814.7213 30026.3350 78089.3329 50063.7280 27773.9029 96916.4902 106799.5102 90609.4959 151939.2642 309410.0293 70746.8374 142716.0507 106125.9651 116665.2011 66286.8751 102544.6694 68184.4646 96656.1289 69238.0746 52526.6945 79341.1767 60544.2748 45940.3860 98639.2715 50627.3741 75326.8230 129017.8609 150888.8313 126902.2651 27701.2172 61447.0425 87662.2157 78215.4605 60800.0792 151389.3433 58443.1586 34438.3375 108551.1583 175915.6156 459646.7945 50535.9086 117184.6884 241524.6958 265823.2277 54172.1411 57570.3988 31618.1993 17292.4836 22153.2573 58241.2530 42956.7884 53204.9087 33649.2503 41023.9642 30530.2803 78719.5530 78784.8180 55730.5145 61555.6796 42270.5428 1496947.4220 1266215.8400 230921.4414 427512.9378 768944.6063 648332.1332 529572.9286 714583.0486 1138664.8820 618347.3144 48891.7615 461373.1368 110651.7980 110240.1459 168541.1458 143988.8224 154149.9013 151684.4299 270009.6430 86821.8028 107042.3608 147764.6573 75013.6717 87053.9800 97033.4071 214769.1512 113825.0825 167440.5035 205070.8362 224139.0629 393461.9586 78482.2784 121104.4632 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name pubchem_id inchi_key kegg_id other_id other_id_type ri ri_type moverz_quant acyl-C12:1 (O-dodecenoyl-carnitine) HMDB13326 3.21 342.2653 acyl-C12 (O-dodecanoyl-carnitine) HMDB02250 3.71 344.2809 acyl-C14:1 (Tetradecenoyl Carnitine) HMDB13329 4.28 370.2965 acyl-C14 (O-tetradecanoyl-L-carnitine) HMDB05066 4.92 372.3114 acyl-C16:1 (Hexadecenoyl-carnitine) HMDB06317 5.30 398.3276 acyl-C16 (L-Palmitoylcarnitine) C02990 6.06 400.3427 acyl-C18:1 (O-octadecenoyl-L-carnitine) HMDB06351 6.30 426.3584 acyl-C18 (Octadecanoyl-L-carnitine) HMDB00848 7.10 428.3743 Sphingosine C00319 5.03 300.2897 METABOLITES_END #END