#METABOLOMICS WORKBENCH epannkuk_20190227_122530 DATATRACK_ID:1655 STUDY_ID:ST001159 ANALYSIS_ID:AN001917 PROJECT_ID:PR000777 VERSION 1 CREATED_ON March 27, 2019, 12:34 pm #PROJECT PR:PROJECT_TITLE NHP radiation metabolomics PR:PROJECT_SUMMARY Here, we use global metabolomics to differentiate temporal effects (1 – 60 d) PR:PROJECT_SUMMARY found in nonhuman primate (NHP) urine small molecule signatures after a 4 Gy PR:PROJECT_SUMMARY total body irradiation. PR:INSTITUTE Georgetown University PR:LAST_NAME Pannkuk PR:FIRST_NAME Evan PR:ADDRESS 3970 Reservoir Rd, NW New Research Build PR:EMAIL elp44@georgetown.edu PR:PHONE 2026875650 #STUDY ST:STUDY_TITLE Targeted NHP urine metabolomics (part-II) ST:STUDY_SUMMARY Here, we use global metabolomics to differentiate temporal effects (1 – 60 d) ST:STUDY_SUMMARY found in nonhuman primate (NHP) urine small molecule signatures after a 4 Gy ST:STUDY_SUMMARY total body irradiation. ST:INSTITUTE Georgetown University ST:LAST_NAME Pannkuk ST:FIRST_NAME Evan ST:ADDRESS 3970 Reservoir Rd, NW New Research Build ST:EMAIL elp44@georgetown.edu ST:PHONE 2026875650 #SUBJECT SU:SUBJECT_TYPE Mammal SU:SUBJECT_SPECIES Macaca mulatta SU:TAXONOMY_ID 9544 #FACTORS #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data SUBJECT_SAMPLE_FACTORS - NHP1 Treat:control_validation SUBJECT_SAMPLE_FACTORS - NHP2 Treat:control_validation SUBJECT_SAMPLE_FACTORS - NHP3 Treat:control_validation SUBJECT_SAMPLE_FACTORS - NHP4 Treat:control_validation SUBJECT_SAMPLE_FACTORS - NHP5 Treat:control_validation SUBJECT_SAMPLE_FACTORS - NHP6 Treat:control_validation SUBJECT_SAMPLE_FACTORS - NHP7 Treat:control_validation SUBJECT_SAMPLE_FACTORS - NHP8 Treat:control_validation SUBJECT_SAMPLE_FACTORS - NHP9 Treat:control_validation SUBJECT_SAMPLE_FACTORS - NHP10 Treat:control_validation SUBJECT_SAMPLE_FACTORS - NHP11 Treat:control_validation SUBJECT_SAMPLE_FACTORS - NHP12 Treat:control_validation SUBJECT_SAMPLE_FACTORS - NHP13 Treat:control_validation SUBJECT_SAMPLE_FACTORS - NHP14 Treat:control_validation SUBJECT_SAMPLE_FACTORS - NHP15 Treat:control_validation SUBJECT_SAMPLE_FACTORS - NHP16 Treat:control_validation SUBJECT_SAMPLE_FACTORS - NHP17 Treat:exp_validation SUBJECT_SAMPLE_FACTORS - NHP18 Treat:exp_validation SUBJECT_SAMPLE_FACTORS - NHP19 Treat:exp_validation SUBJECT_SAMPLE_FACTORS - NHP20 Treat:exp_validation SUBJECT_SAMPLE_FACTORS - NHP21 Treat:exp_validation SUBJECT_SAMPLE_FACTORS - NHP22 Treat:exp_validation SUBJECT_SAMPLE_FACTORS - NHP23 Treat:exp_validation SUBJECT_SAMPLE_FACTORS - NHP24 Treat:exp_validation SUBJECT_SAMPLE_FACTORS - NHP25 Treat:control_training SUBJECT_SAMPLE_FACTORS - NHP26 Treat:control_training SUBJECT_SAMPLE_FACTORS - NHP27 Treat:control_training SUBJECT_SAMPLE_FACTORS - NHP28 Treat:control_training SUBJECT_SAMPLE_FACTORS - NHP29 Treat:control_training SUBJECT_SAMPLE_FACTORS - NHP30 Treat:control_training SUBJECT_SAMPLE_FACTORS - NHP31 Treat:control_training SUBJECT_SAMPLE_FACTORS - NHP32 Treat:control_training SUBJECT_SAMPLE_FACTORS - NHP33 Treat:control_training SUBJECT_SAMPLE_FACTORS - NHP34 Treat:control_training SUBJECT_SAMPLE_FACTORS - NHP35 Treat:control_training SUBJECT_SAMPLE_FACTORS - NHP36 Treat:control_training SUBJECT_SAMPLE_FACTORS - NHP37 Treat:exp_training SUBJECT_SAMPLE_FACTORS - NHP38 Treat:exp_training SUBJECT_SAMPLE_FACTORS - NHP39 Treat:exp_training SUBJECT_SAMPLE_FACTORS - NHP40 Treat:exp_training SUBJECT_SAMPLE_FACTORS - NHP41 Treat:exp_training SUBJECT_SAMPLE_FACTORS - NHP42 Treat:exp_training SUBJECT_SAMPLE_FACTORS - NHP43 Treat:exp_training SUBJECT_SAMPLE_FACTORS - NHP44 Treat:exp_training SUBJECT_SAMPLE_FACTORS - NHP45 Treat:exp_training SUBJECT_SAMPLE_FACTORS - NHP46 Treat:exp_training SUBJECT_SAMPLE_FACTORS - NHP47 Treat:exp_training SUBJECT_SAMPLE_FACTORS - NHP48 Treat:exp_training #COLLECTION CO:COLLECTION_SUMMARY Urine (10 μl) was diluted with 200 μl cold methanol:acetonitrile:water CO:COLLECTION_SUMMARY (80:15:5) spiked with internal standards, vortexed, placed on ice for 10 min, CO:COLLECTION_SUMMARY and centrifuged for 10 min (10,000 x g, 4°C) CO:SAMPLE_TYPE Urine #TREATMENT TR:TREATMENT_SUMMARY 4 Gy at 0.6 Gy/min with a 60Co γ source #SAMPLEPREP SP:SAMPLEPREP_SUMMARY Urine (10 μl) was diluted with 200 μl cold methanol:acetonitrile:water SP:SAMPLEPREP_SUMMARY (80:15:5) spiked with internal standards, vortexed, placed on ice for 10 min, SP:SAMPLEPREP_SUMMARY and centrifuged for 10 min (10,000 x g, 4°C) #CHROMATOGRAPHY CH:CHROMATOGRAPHY_TYPE Reversed phase CH:INSTRUMENT_NAME Waters ACQUITY UPLC CH:COLUMN_NAME Acquity BEH amide 1.7 µm 2.1 x 100 mm #ANALYSIS AN:ANALYSIS_TYPE MS #MS MS:INSTRUMENT_NAME Waters Xevo-TQ-S MS:INSTRUMENT_TYPE Triple quadrupole MS:MS_TYPE ESI MS:ION_MODE UNSPECIFIED MS:MS_COMMENTS None #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS ng/ml MS_METABOLITE_DATA_START Samples NHP1 NHP2 NHP3 NHP4 NHP5 NHP6 NHP7 NHP8 NHP9 NHP10 NHP11 NHP12 NHP13 NHP14 NHP15 NHP16 NHP17 NHP18 NHP19 NHP20 NHP21 NHP22 NHP23 NHP24 NHP25 NHP26 NHP27 NHP28 NHP29 NHP30 NHP31 NHP32 NHP33 NHP34 NHP35 NHP36 NHP37 NHP38 NHP39 NHP40 NHP41 NHP42 NHP43 NHP44 NHP45 NHP46 NHP47 NHP48 Factors Treat:control_validation Treat:control_validation Treat:control_validation Treat:control_validation Treat:control_validation Treat:control_validation Treat:control_validation Treat:control_validation Treat:control_validation Treat:control_validation Treat:control_validation Treat:control_validation Treat:control_validation Treat:control_validation Treat:control_validation Treat:control_validation Treat:exp_validation Treat:exp_validation Treat:exp_validation Treat:exp_validation Treat:exp_validation Treat:exp_validation Treat:exp_validation Treat:exp_validation Treat:control_training Treat:control_training Treat:control_training Treat:control_training Treat:control_training Treat:control_training Treat:control_training Treat:control_training Treat:control_training Treat:control_training Treat:control_training Treat:control_training Treat:exp_training Treat:exp_training Treat:exp_training Treat:exp_training Treat:exp_training Treat:exp_training Treat:exp_training Treat:exp_training Treat:exp_training Treat:exp_training Treat:exp_training Treat:exp_training carnitine 11.6 12.8 11.3 10.2 13.1 23.9 1.7 19.5 12.1 21.6 7.3 9.4 3.4 2.5 5 13.4 146.8 78.6 28.1 12 22.6 7.2 15.7 15.9 78.7 29.8 29.6 26.6 48.5 32.4 19.1 22 30.2 32.5 1.8 24.3 51.4 7.5 102.4 119.2 65.2 170.1 55.9 38.5 198.1 333.1 240.1 476.5 acetylcarnitine 12.724 9.0294 4.924637 2.872567 7.797867 12.31372 21.75905 13.95609 11.49259 5.745522 14.3667 20.52681 25.86701 29.56486 16.00922 24.63454 80.16621 11.90315 53.41074 38.19565 101.5947 277.5384 363.7578 131.3003 14.77732 37.37351 27.92129 76.87144 17.2412 32.03045 154.8465 13.95609 93.76257 18.06255 61.22813 60.4051 13.13489 270.473 2004.881 162.2875 565.8652 172.6265 121.8065 926.0788 884.9994 447.3904 1379.176 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name HMDB_ID carnitine 0000062 acetylcarnitine 0000201 METABOLITES_END #END