#METABOLOMICS WORKBENCH araskind_20150612_9858471_mwtab.txt DATATRACK_ID:316 STUDY_ID:ST000211 ANALYSIS_ID:AN000313 PROJECT_ID:PR000153 VERSION 1 CREATED_ON 2016-09-17 #PROJECT PR:PROJECT_TITLE Graft-Versus-Host Disease PR:PROJECT_SUMMARY T cell metabolism during graft-versus-host disease PR:INSTITUTE University of Michigan PR:DEPARTMENT Pediatrics PR:LABORATORY Ferrara lab PR:LAST_NAME Byersdorfer PR:FIRST_NAME Craig PR:ADDRESS Ann Arbor, MI PR:EMAIL craigbye@med.umich.edu PR:PHONE 734-000-0000 #STUDY ST:STUDY_TITLE T cell metabolism during graft-versus-host disease (CAB 307)-PART II ST:STUDY_SUMMARY T cells were injected into mis-matched animals undergoing bone marrow ST:STUDY_SUMMARY On day 7 after BMT, cells were receovered and CD8 T cells were purified to > ST:STUDY_SUMMARY purity over magnetic column. Cells were washed once in PBS, then once in ST:STUDY_SUMMARY chloride, residual volume was removed and cell pellets were flash frozein in ST:STUDY_SUMMARY and stored at -80C ST:INSTITUTE University of Michigan ST:DEPARTMENT Biomedical Research Core Facilities ST:LABORATORY Metabolomics core ST:LAST_NAME Kachman ST:FIRST_NAME Maureen ST:ADDRESS 6300 Brehm Tower, 1000 Wall Street, Ann Arbor, MI 48105-5714 ST:EMAIL mkachman@umich.edu ST:PHONE - ST:NUM_GROUPS 2 ST:TOTAL_SUBJECTS 7 #SUBJECT SU:SUBJECT_TYPE - SU:SUBJECT_SPECIES Mus musculus SU:TAXONOMY_ID 10090 #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data SUBJECT_SAMPLE_FACTORS SU0004282 S00015097 Treatment:Control SUBJECT_SAMPLE_FACTORS SU0004282 S00015098 Treatment:Control SUBJECT_SAMPLE_FACTORS SU0004282 S00015099 Treatment:Control SUBJECT_SAMPLE_FACTORS SU0004282 S00015100 Treatment:Control SUBJECT_SAMPLE_FACTORS SU0004281 S00015094 Treatment:GVHD SUBJECT_SAMPLE_FACTORS SU0004281 S00015095 Treatment:GVHD SUBJECT_SAMPLE_FACTORS SU0004281 S00015096 Treatment:GVHD #COLLECTION CO:COLLECTION_SUMMARY - CO:SAMPLE_TYPE Cells #TREATMENT TR:TREATMENT_SUMMARY - #SAMPLEPREP SP:SAMPLEPREP_SUMMARY - SP:SAMPLEPREP_PROTOCOL_FILENAME Acyl-carnitines_analysis_protocol-CR-MK-20150528.docx #CHROMATOGRAPHY CH:CHROMATOGRAPHY_TYPE Reversed phase CH:INSTRUMENT_NAME Agilent 1200 CH:COLUMN_NAME Waters Acquity HSS T3 (50 x 2.1mm, 1.8um) CH:METHODS_ID AQM050 CH:METHODS_FILENAME QM-004-Xbridg2mm_ACar+_MRM-Insert.m.zip #ANALYSIS AN:ANALYSIS_TYPE MS AN:LABORATORY_NAME MRC2 (University of Michigan) AN:ACQUISITION_PARAMETERS_FILE QM-004-Xbridg2mm_ACar+_MRM-Insert.m.zip AN:PROCESSING_PARAMETERS_FILE EX00317-acyl-carnitines-quant.m.zip #MS MS:MS_COMMENTS - MS:INSTRUMENT_NAME Agilent 6490 QQQ MS:INSTRUMENT_TYPE Triple quadrupole MS:MS_TYPE ESI MS:ION_MODE POSITIVE #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS pmol/100 µg protein MS_METABOLITE_DATA_START Samples S00015097 S00015098 S00015099 S00015100 S00015094 S00015095 S00015096 Factors Treatment:Control Treatment:Control Treatment:Control Treatment:Control Treatment:GVHD Treatment:GVHD Treatment:GVHD 3-hydroxylauroylcarnitine 0.0000 0.0000 0.0020 0.0010 0.0000 0.0000 0.0002 3-Hydroxylinoleoylcarnitine 0.0425 0.0599 0.0820 0.0425 0.1207 0.1464 0.1339 3-hydroxymyristoylcarnitine 0.0005 0.0030 0.0092 0.0069 0.0016 0.0041 0.0058 3-Hydroxypalmitoylcarnitine 0.0059 0.0102 0.0146 0.0110 0.0113 0.0116 0.0140 Acetylcarnitine 10.3319 15.0108 12.6435 7.7084 9.6781 9.1973 12.5030 arachidonoylcarnitine 0.0102 0.0141 0.0309 0.0149 0.0248 0.0208 0.0247 butyrylcarnitine 0.2897 0.6425 0.7617 0.4359 0.2782 0.2747 0.3535 Decanoylcarnitine 0.0022 0.0023 0.0457 0.0236 0.0046 0.0003 0.0000 decenoylcarnitine 0.0000 0.0000 0.0118 0.0049 0.0000 0.0000 0.0000 Dodecenoylcarnitine 0.0291 0.0250 0.2537 0.0925 0.0127 0.0053 0.0160 Glutarylcarnitine 0.1422 0.1097 0.1356 0.0819 0.6098 0.5146 0.6036 Hexanoylcarnitine 0.0656 0.1100 0.2596 0.1125 0.0317 0.0303 0.0338 icosadienoylcarnitine 0.0106 0.0079 0.0228 0.0089 0.0184 0.0140 0.0149 Icosanoylcarnitine 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 icosatrienoylcarnitine 0.1765 0.2062 0.1744 0.1114 0.5803 0.5892 0.6639 icoseneoylcarnitine 0.0092 0.0079 0.0084 0.0062 0.0121 0.0165 0.0192 isovalerylcarnitine 0.0851 0.0751 0.1052 0.0646 0.0612 0.0567 0.0631 lauroylcarnitine 0.0029 0.0004 0.0032 0.0013 0.0000 0.0007 0.0000 L-Carnitine 30.5671 22.0590 24.4200 10.9331 40.0053 31.7410 34.7352 Linoelaidyl carnitine 0.0077 0.0055 0.0072 0.0046 0.0291 0.0210 0.0197 myristoylcarnitine 0.0407 0.0157 0.0586 0.0263 0.0281 0.0266 0.0181 octanoylcarnitine 0.0298 0.0363 0.0927 0.0366 0.0164 0.0132 0.0147 Octenoylcarnitine 0.0000 0.0018 0.0026 0.0000 0.0020 0.0000 0.0000 Oleoylcarnitine 0.0017 0.0016 0.0014 0.0009 0.0029 0.0047 0.0018 Palmitoleylcarnitine 0.4843 0.6258 0.9740 0.4549 0.8579 0.9000 0.7468 palmitoylcarnitine 0.0463 0.0161 0.1122 0.0572 0.0395 0.0516 0.0200 propionylcarnitine 2.1411 3.7948 5.1150 2.3553 0.5882 0.5008 0.7013 Stearoylcarnitine 0.0040 0.0033 0.0082 0.0050 0.0078 0.0109 0.0096 Tetradecadiencarnitine 0.0000 0.0000 0.0024 0.0010 0.0000 0.0000 0.0000 Tetradecenoylcarnitine 0.1690 0.1923 1.0041 0.3620 0.0890 0.0610 0.0715 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 3-hydroxylauroylcarnitine 71464535 C12-OH UM_Target_ID 3-Hydroxylinoleoylcarnitine 78076335 C18:2-OH UM_Target_ID 3-hydroxymyristoylcarnitine 71464541 C14-OH UM_Target_ID 3-Hydroxypalmitoylcarnitine 71464553 C16-OH UM_Target_ID Acetylcarnitine 1 C2 UM_Target_ID arachidonoylcarnitine 71464486 C20:4 UM_Target_ID butyrylcarnitine 439829 C4 UM_Target_ID Decanoylcarnitine 3332882 C10:0 UM_Target_ID decenoylcarnitine 54074509 C10:1 UM_Target_ID Dodecenoylcarnitine 53481671 C12:1 UM_Target_ID Glutarylcarnitine 71317118 C5:0-DC UM_Target_ID Hexanoylcarnitine 6426853 C6:0 UM_Target_ID icosadienoylcarnitine 163425699 C20:2 UM_Target_ID Icosanoylcarnitine 53477833 C20 UM_Target_ID icosatrienoylcarnitine C20:3 UM_Target_ID icoseneoylcarnitine 71464507 C20:1 UM_Target_ID isovalerylcarnitine 6426852 C5:0 UM_Target_ID lauroylcarnitine 168381 C12:0 UM_Target_ID L-Carnitine 10917 L-Carnitine UM_Target_ID Linoelaidyl carnitine 53477834 C18:2 UM_Target_ID myristoylcarnitine 3413344 C14:0 UM_Target_ID octanoylcarnitine 123701 C8:0 UM_Target_ID Octenoylcarnitine 71464472 C8:1 UM_Target_ID Oleoylcarnitine 166952 C18:1 UM_Target_ID Palmitoleylcarnitine 76040365 C16:1 UM_Target_ID palmitoylcarnitine 461 C16:0 UM_Target_ID propionylcarnitine 107738 C3 UM_Target_ID Stearoylcarnitine 5282 C18:0 UM_Target_ID Tetradecadiencarnitine 53481681 C14:2 UM_Target_ID Tetradecenoylcarnitine 22833575 C14:1 UM_Target_ID METABOLITES_END #END