#METABOLOMICS WORKBENCH wpathmasiri_20201201_142816 DATATRACK_ID:2339 STUDY_ID:ST001619 ANALYSIS_ID:AN002654 PROJECT_ID:000000 VERSION 1 CREATED_ON December 3, 2020, 3:21 pm #PROJECT PR:PROJECT_TITLE Metabolomics Analysis: Opioid Addiction Project (Golestan Cohort Study) PR:PROJECT_TYPE Metabolomics Analysis PR:PROJECT_SUMMARY Drug addiction is a major threat to the public health in the US and many other PR:PROJECT_SUMMARY countries. Opioid abuse is associated with increased risks for cancer, PR:PROJECT_SUMMARY psychological complications, heart and lung disease, and infections of the liver PR:PROJECT_SUMMARY and blood. Because metabolites are intrinsically involved in multiple metabolic PR:PROJECT_SUMMARY pathways in vivo, the relative quantification of metabolites in body fluids (for PR:PROJECT_SUMMARY example urine) can provide a profile of the metabolic state of an organism. PR:PROJECT_SUMMARY Metabolomics is a powerful technique for revealing the impact of exposure on the PR:PROJECT_SUMMARY overall biochemistry of an individual or system. Opioids can modify the output PR:PROJECT_SUMMARY of urinary metabolites through many integrated neural and hormonal mechanisms PR:PROJECT_SUMMARY within the periphery, central nervous system, and kidneys. Opioids modulate the PR:PROJECT_SUMMARY expression of genes involved in neuroplasticity through epigenetic and possibly PR:PROJECT_SUMMARY RNA modifications, ultimately change the intracellular signaling cascades and PR:PROJECT_SUMMARY dysfunction, and cause long-lasting changes in metabolome. The objective of this PR:PROJECT_SUMMARY study is to identify how opium impacts metabolic pathways to provide markers of PR:PROJECT_SUMMARY abuse, long-term opium addiction, the addiction molecular pathway, and unknown PR:PROJECT_SUMMARY metabolites that are important to differentiation of the study phenotypes. To PR:PROJECT_SUMMARY reach these goals in the present study, the urine specimens of opium abusers and PR:PROJECT_SUMMARY non-users as controls was profiled using an untargeted nuclear magnetic PR:PROJECT_SUMMARY resonance spectroscopy (NMR) metabolomics, and a quantitative targeted liquid PR:PROJECT_SUMMARY chromatography mass spectrometric (LC-MS/MS) at University of North Carolina at PR:PROJECT_SUMMARY Chapel Hill. The Golestan Cohort Study is conducted in Northeast of Iran to PR:PROJECT_SUMMARY primarily study the risk factors for upper gastrointestinal cancers in this PR:PROJECT_SUMMARY high-risk region, in which about 50,000 volunteers were analyzed for opium users PR:PROJECT_SUMMARY and their mortality. More than 8,000 of participants (17%) age 40-75 reported PR:PROJECT_SUMMARY opium use with a mean duration of 12.7 years. Opium was either smoked or orally PR:PROJECT_SUMMARY consumed. The participants were selected from the cohort stratified by opium use PR:PROJECT_SUMMARY patterns and tobacco use. PR:INSTITUTE University of North Carolina at Chapel Hill PR:DEPARTMENT Nutrition PR:LABORATORY UNC-NRI Sumner Lab PR:LAST_NAME Sumner PR:FIRST_NAME Susan PR:ADDRESS 500 Laureate Way, Kannapolis, NC, 28081, USA PR:EMAIL susan_sumner@unc.edu PR:PHONE 919-622-4456 #STUDY ST:STUDY_TITLE Metabolomics Analysis: Opioid Addiction Project (Golestan Cohort Study) - NMR ST:STUDY_TITLE (part-II) ST:STUDY_TYPE Untargeted NMR Metabolomics Analysis ST:STUDY_SUMMARY Drug addiction is a major threat to the public health in the US and many other ST:STUDY_SUMMARY countries. Opioid abuse is associated with increased risks for cancer, ST:STUDY_SUMMARY psychological complications, heart and lung disease, and infections of the liver ST:STUDY_SUMMARY and blood. Because metabolites are intrinsically involved in multiple metabolic ST:STUDY_SUMMARY pathways in vivo, the relative quantification of metabolites in body fluids (for ST:STUDY_SUMMARY example urine) can provide a profile of the metabolic state of an organism. ST:STUDY_SUMMARY Metabolomics is a powerful technique for revealing the impact of exposure on the ST:STUDY_SUMMARY overall biochemistry of an individual or system. Opioids can modify the output ST:STUDY_SUMMARY of urinary metabolites through many integrated neural and hormonal mechanisms ST:STUDY_SUMMARY within the periphery, central nervous system, and kidneys. Opioids modulate the ST:STUDY_SUMMARY expression of genes involved in neuroplasticity through epigenetic and possibly ST:STUDY_SUMMARY RNA modifications, ultimately change the intracellular signaling cascades and ST:STUDY_SUMMARY dysfunction, and cause long-lasting changes in metabolome. The objective of this ST:STUDY_SUMMARY study is to identify how opium impacts metabolic pathways to provide markers of ST:STUDY_SUMMARY abuse, long-term opium addiction, the addiction molecular pathway, and unknown ST:STUDY_SUMMARY metabolites that are important to differentiation of the study phenotypes. To ST:STUDY_SUMMARY reach these goals in the present study, the urine specimens of opium abusers and ST:STUDY_SUMMARY non-users as controls was profiled using an untargeted nuclear magnetic ST:STUDY_SUMMARY resonance spectroscopy (NMR) metabolomics platform at University of North ST:STUDY_SUMMARY Carolina at Chapel Hill. The Golestan Cohort Study is conducted in Northeast of ST:STUDY_SUMMARY Iran to primarily study the risk factors for upper gastrointestinal cancers in ST:STUDY_SUMMARY this high-risk region, in which about 50,000 volunteers were analyzed for opium ST:STUDY_SUMMARY users and their mortality. More than 8,000 of participants (17%) age 40-75 ST:STUDY_SUMMARY reported opium use with a mean duration of 12.7 years. Opium was either smoked ST:STUDY_SUMMARY or orally consumed. The participants were selected from the cohort stratified by ST:STUDY_SUMMARY opium use patterns and tobacco use. ST:INSTITUTE University of North Carolina at Chapel Hill ST:DEPARTMENT Nutrition ST:LABORATORY UNC-NRI Sumner Lab ST:LAST_NAME Sumner ST:FIRST_NAME Susan ST:ADDRESS 500 Laureate Way, Kannapolis, NC, 28081, USA ST:EMAIL susan_sumner@unc.edu ST:PHONE 919-622-4456 ST:NUM_GROUPS 2 ST:TOTAL_SUBJECTS 298 #SUBJECT SU:SUBJECT_TYPE Human SU:SUBJECT_SPECIES Homo sapiens SU:TAXONOMY_ID 9606 SU:AGE_OR_AGE_RANGE 40-75 SU:GENDER Male and female #FACTORS #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Raw file names and additional sample data SUBJECT_SAMPLE_FACTORS - CP_11 Phenotype:QC RAW_FILE_NAME=CP_11 SUBJECT_SAMPLE_FACTORS - CP_12 Phenotype:QC RAW_FILE_NAME=CP_12 SUBJECT_SAMPLE_FACTORS - CP_13 Phenotype:QC RAW_FILE_NAME=CP_13 SUBJECT_SAMPLE_FACTORS - CP_14 Phenotype:QC RAW_FILE_NAME=CP_14 SUBJECT_SAMPLE_FACTORS - CP_15 Phenotype:QC RAW_FILE_NAME=CP_15 SUBJECT_SAMPLE_FACTORS - CP_16 Phenotype:QC RAW_FILE_NAME=CP_16 SUBJECT_SAMPLE_FACTORS - CP_21 Phenotype:QC RAW_FILE_NAME=CP_21 SUBJECT_SAMPLE_FACTORS - 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U_362 Phenotype:Opium User RAW_FILE_NAME=U_362 SUBJECT_SAMPLE_FACTORS - U_363 Phenotype:Opium User RAW_FILE_NAME=U_363 SUBJECT_SAMPLE_FACTORS - U_364 Phenotype:Opium User RAW_FILE_NAME=U_364 SUBJECT_SAMPLE_FACTORS - U_365 Phenotype:Opium User RAW_FILE_NAME=U_365 SUBJECT_SAMPLE_FACTORS - U_366 Phenotype:Opium User RAW_FILE_NAME=U_366 SUBJECT_SAMPLE_FACTORS - U_367 Phenotype:Opium User RAW_FILE_NAME=U_367 SUBJECT_SAMPLE_FACTORS - U_368 Phenotype:Opium User RAW_FILE_NAME=U_368 SUBJECT_SAMPLE_FACTORS - U_369 Phenotype:Opium User RAW_FILE_NAME=U_369 SUBJECT_SAMPLE_FACTORS - U_370 Phenotype:Opium User RAW_FILE_NAME=U_370 SUBJECT_SAMPLE_FACTORS - U_371 Phenotype:Opium User RAW_FILE_NAME=U_371 SUBJECT_SAMPLE_FACTORS - U_372 Phenotype:Opium User RAW_FILE_NAME=U_372 SUBJECT_SAMPLE_FACTORS - U_373 Phenotype:Opium User RAW_FILE_NAME=U_373 SUBJECT_SAMPLE_FACTORS - U_374 Phenotype:Opium User RAW_FILE_NAME=U_374 SUBJECT_SAMPLE_FACTORS - U_376 Phenotype:Opium User RAW_FILE_NAME=U_376 SUBJECT_SAMPLE_FACTORS - U_379 Phenotype:Opium User RAW_FILE_NAME=U_379 SUBJECT_SAMPLE_FACTORS - U_38 Phenotype:Opium User RAW_FILE_NAME=U_38 SUBJECT_SAMPLE_FACTORS - U_380 Phenotype:Opium User RAW_FILE_NAME=U_380 SUBJECT_SAMPLE_FACTORS - U_384 Phenotype:Opium User RAW_FILE_NAME=U_384 SUBJECT_SAMPLE_FACTORS - U_387 Phenotype:Opium User RAW_FILE_NAME=U_387 SUBJECT_SAMPLE_FACTORS - U_388 Phenotype:Opium User RAW_FILE_NAME=U_388 SUBJECT_SAMPLE_FACTORS - U_39 Phenotype:Non-Opium User RAW_FILE_NAME=U_39 SUBJECT_SAMPLE_FACTORS - U_391 Phenotype:Opium User RAW_FILE_NAME=U_391 SUBJECT_SAMPLE_FACTORS - U_396 Phenotype:Opium User RAW_FILE_NAME=U_396 SUBJECT_SAMPLE_FACTORS - U_397 Phenotype:Opium User RAW_FILE_NAME=U_397 SUBJECT_SAMPLE_FACTORS - U_399 Phenotype:Opium User RAW_FILE_NAME=U_399 SUBJECT_SAMPLE_FACTORS - U_4 Phenotype:Opium User RAW_FILE_NAME=U_4 SUBJECT_SAMPLE_FACTORS - U_40 Phenotype:Opium User RAW_FILE_NAME=U_40 SUBJECT_SAMPLE_FACTORS - U_400 Phenotype:Opium User RAW_FILE_NAME=U_400 SUBJECT_SAMPLE_FACTORS - U_402 Phenotype:Opium User RAW_FILE_NAME=U_402 SUBJECT_SAMPLE_FACTORS - U_405 Phenotype:Opium User RAW_FILE_NAME=U_405 SUBJECT_SAMPLE_FACTORS - U_407 Phenotype:Opium User RAW_FILE_NAME=U_407 SUBJECT_SAMPLE_FACTORS - U_408 Phenotype:Opium User RAW_FILE_NAME=U_408 SUBJECT_SAMPLE_FACTORS - U_409 Phenotype:Opium User RAW_FILE_NAME=U_409 SUBJECT_SAMPLE_FACTORS - U_41 Phenotype:Opium User RAW_FILE_NAME=U_41 SUBJECT_SAMPLE_FACTORS - U_410 Phenotype:Opium User RAW_FILE_NAME=U_410 SUBJECT_SAMPLE_FACTORS - U_411 Phenotype:Opium User RAW_FILE_NAME=U_411 SUBJECT_SAMPLE_FACTORS - U_412 Phenotype:Opium User RAW_FILE_NAME=U_412 SUBJECT_SAMPLE_FACTORS - U_414 Phenotype:Opium User RAW_FILE_NAME=U_414 SUBJECT_SAMPLE_FACTORS - U_415 Phenotype:Opium User RAW_FILE_NAME=U_415 SUBJECT_SAMPLE_FACTORS - U_418 Phenotype:Opium User RAW_FILE_NAME=U_418 SUBJECT_SAMPLE_FACTORS - U_42 Phenotype:Opium User RAW_FILE_NAME=U_42 SUBJECT_SAMPLE_FACTORS - U_423 Phenotype:Opium User RAW_FILE_NAME=U_423 SUBJECT_SAMPLE_FACTORS - U_424 Phenotype:Opium User RAW_FILE_NAME=U_424 SUBJECT_SAMPLE_FACTORS - U_428 Phenotype:Opium User RAW_FILE_NAME=U_428 SUBJECT_SAMPLE_FACTORS - U_429 Phenotype:Opium User RAW_FILE_NAME=U_429 SUBJECT_SAMPLE_FACTORS - U_43 Phenotype:Non-Opium User RAW_FILE_NAME=U_43 SUBJECT_SAMPLE_FACTORS - U_430 Phenotype:Opium User RAW_FILE_NAME=U_430 SUBJECT_SAMPLE_FACTORS - U_431 Phenotype:Opium User RAW_FILE_NAME=U_431 SUBJECT_SAMPLE_FACTORS - U_432 Phenotype:Opium User RAW_FILE_NAME=U_432 SUBJECT_SAMPLE_FACTORS - U_436 Phenotype:Opium User RAW_FILE_NAME=U_436 SUBJECT_SAMPLE_FACTORS - U_44 Phenotype:Opium User RAW_FILE_NAME=U_44 SUBJECT_SAMPLE_FACTORS - U_441 Phenotype:Opium User RAW_FILE_NAME=U_441 SUBJECT_SAMPLE_FACTORS - U_442 Phenotype:Opium User RAW_FILE_NAME=U_442 SUBJECT_SAMPLE_FACTORS - U_445 Phenotype:Opium User RAW_FILE_NAME=U_445 SUBJECT_SAMPLE_FACTORS - U_447 Phenotype:Opium User RAW_FILE_NAME=U_447 SUBJECT_SAMPLE_FACTORS - U_448 Phenotype:Opium User RAW_FILE_NAME=U_448 SUBJECT_SAMPLE_FACTORS - U_45 Phenotype:Non-Opium User RAW_FILE_NAME=U_45 SUBJECT_SAMPLE_FACTORS - U_451 Phenotype:Opium User RAW_FILE_NAME=U_451 SUBJECT_SAMPLE_FACTORS - U_452 Phenotype:Opium User RAW_FILE_NAME=U_452 SUBJECT_SAMPLE_FACTORS - U_453 Phenotype:Opium User RAW_FILE_NAME=U_453 SUBJECT_SAMPLE_FACTORS - U_454 Phenotype:Opium User RAW_FILE_NAME=U_454 SUBJECT_SAMPLE_FACTORS - U_457 Phenotype:Opium User RAW_FILE_NAME=U_457 SUBJECT_SAMPLE_FACTORS - U_458 Phenotype:Opium User RAW_FILE_NAME=U_458 SUBJECT_SAMPLE_FACTORS - U_459 Phenotype:Opium User RAW_FILE_NAME=U_459 SUBJECT_SAMPLE_FACTORS - U_463 Phenotype:Opium User RAW_FILE_NAME=U_463 SUBJECT_SAMPLE_FACTORS - U_464 Phenotype:Opium User RAW_FILE_NAME=U_464 SUBJECT_SAMPLE_FACTORS - U_466 Phenotype:Opium User RAW_FILE_NAME=U_466 SUBJECT_SAMPLE_FACTORS - U_467 Phenotype:Opium User RAW_FILE_NAME=U_467 SUBJECT_SAMPLE_FACTORS - U_469 Phenotype:Opium User RAW_FILE_NAME=U_469 SUBJECT_SAMPLE_FACTORS - U_473 Phenotype:Opium User RAW_FILE_NAME=U_473 SUBJECT_SAMPLE_FACTORS - U_476 Phenotype:Opium User RAW_FILE_NAME=U_476 SUBJECT_SAMPLE_FACTORS - U_48 Phenotype:Opium User RAW_FILE_NAME=U_48 SUBJECT_SAMPLE_FACTORS - U_480 Phenotype:Opium User RAW_FILE_NAME=U_480 SUBJECT_SAMPLE_FACTORS - U_481 Phenotype:Opium User RAW_FILE_NAME=U_481 SUBJECT_SAMPLE_FACTORS - U_482 Phenotype:Opium User RAW_FILE_NAME=U_482 SUBJECT_SAMPLE_FACTORS - U_485 Phenotype:Opium User RAW_FILE_NAME=U_485 SUBJECT_SAMPLE_FACTORS - U_488 Phenotype:Opium User RAW_FILE_NAME=U_488 SUBJECT_SAMPLE_FACTORS - U_489 Phenotype:Opium User RAW_FILE_NAME=U_489 SUBJECT_SAMPLE_FACTORS - U_491 Phenotype:Opium User RAW_FILE_NAME=U_491 SUBJECT_SAMPLE_FACTORS - U_493 Phenotype:Opium User RAW_FILE_NAME=U_493 SUBJECT_SAMPLE_FACTORS - U_494 Phenotype:Opium User RAW_FILE_NAME=U_494 SUBJECT_SAMPLE_FACTORS - U_495 Phenotype:Opium User RAW_FILE_NAME=U_495 SUBJECT_SAMPLE_FACTORS - U_497 Phenotype:Opium User RAW_FILE_NAME=U_497 SUBJECT_SAMPLE_FACTORS - U_498 Phenotype:Opium User RAW_FILE_NAME=U_498 SUBJECT_SAMPLE_FACTORS - U_499 Phenotype:Opium User RAW_FILE_NAME=U_499 SUBJECT_SAMPLE_FACTORS - U_5 Phenotype:Opium User RAW_FILE_NAME=U_5 SUBJECT_SAMPLE_FACTORS - U_505 Phenotype:Opium User RAW_FILE_NAME=U_505 SUBJECT_SAMPLE_FACTORS - U_507 Phenotype:Opium User RAW_FILE_NAME=U_507 SUBJECT_SAMPLE_FACTORS - U_508 Phenotype:Opium User RAW_FILE_NAME=U_508 SUBJECT_SAMPLE_FACTORS - U_51 Phenotype:Non-Opium User RAW_FILE_NAME=U_51 SUBJECT_SAMPLE_FACTORS - U_510 Phenotype:Opium User RAW_FILE_NAME=U_510 SUBJECT_SAMPLE_FACTORS - U_511 Phenotype:Opium User RAW_FILE_NAME=U_511 SUBJECT_SAMPLE_FACTORS - U_513 Phenotype:Opium User RAW_FILE_NAME=U_513 SUBJECT_SAMPLE_FACTORS - U_515 Phenotype:Opium User RAW_FILE_NAME=U_515 SUBJECT_SAMPLE_FACTORS - U_516 Phenotype:Opium User RAW_FILE_NAME=U_516 SUBJECT_SAMPLE_FACTORS - U_518 Phenotype:Opium User RAW_FILE_NAME=U_518 SUBJECT_SAMPLE_FACTORS - U_519 Phenotype:Opium User RAW_FILE_NAME=U_519 SUBJECT_SAMPLE_FACTORS - U_52 Phenotype:Opium User RAW_FILE_NAME=U_52 SUBJECT_SAMPLE_FACTORS - U_520 Phenotype:Opium User RAW_FILE_NAME=U_520 SUBJECT_SAMPLE_FACTORS - U_521 Phenotype:Opium User RAW_FILE_NAME=U_521 SUBJECT_SAMPLE_FACTORS - U_522 Phenotype:Opium User RAW_FILE_NAME=U_522 SUBJECT_SAMPLE_FACTORS - U_523 Phenotype:Opium User RAW_FILE_NAME=U_523 SUBJECT_SAMPLE_FACTORS - U_524 Phenotype:Opium User RAW_FILE_NAME=U_524 SUBJECT_SAMPLE_FACTORS - U_525 Phenotype:Opium User RAW_FILE_NAME=U_525 SUBJECT_SAMPLE_FACTORS - U_526 Phenotype:Opium User RAW_FILE_NAME=U_526 SUBJECT_SAMPLE_FACTORS - U_527 Phenotype:Opium User RAW_FILE_NAME=U_527 SUBJECT_SAMPLE_FACTORS - U_528 Phenotype:Opium User RAW_FILE_NAME=U_528 SUBJECT_SAMPLE_FACTORS - U_529 Phenotype:Opium User RAW_FILE_NAME=U_529 SUBJECT_SAMPLE_FACTORS - U_53 Phenotype:Opium User RAW_FILE_NAME=U_53 SUBJECT_SAMPLE_FACTORS - U_530 Phenotype:Opium User RAW_FILE_NAME=U_530 SUBJECT_SAMPLE_FACTORS - U_57 Phenotype:Non-Opium User RAW_FILE_NAME=U_57 SUBJECT_SAMPLE_FACTORS - U_58 Phenotype:Opium User RAW_FILE_NAME=U_58 SUBJECT_SAMPLE_FACTORS - U_59 Phenotype:Non-Opium User RAW_FILE_NAME=U_59 SUBJECT_SAMPLE_FACTORS - U_6 Phenotype:Opium User RAW_FILE_NAME=U_6 SUBJECT_SAMPLE_FACTORS - U_60 Phenotype:Opium User RAW_FILE_NAME=U_60 SUBJECT_SAMPLE_FACTORS - U_62 Phenotype:Non-Opium User RAW_FILE_NAME=U_62 SUBJECT_SAMPLE_FACTORS - U_63 Phenotype:Opium User RAW_FILE_NAME=U_63 SUBJECT_SAMPLE_FACTORS - U_64 Phenotype:Non-Opium User RAW_FILE_NAME=U_64 SUBJECT_SAMPLE_FACTORS - U_65 Phenotype:Opium User RAW_FILE_NAME=U_65 SUBJECT_SAMPLE_FACTORS - U_67 Phenotype:Opium User RAW_FILE_NAME=U_67 SUBJECT_SAMPLE_FACTORS - U_71 Phenotype:Non-Opium User RAW_FILE_NAME=U_71 SUBJECT_SAMPLE_FACTORS - U_76 Phenotype:Opium User RAW_FILE_NAME=U_76 SUBJECT_SAMPLE_FACTORS - U_8 Phenotype:Non-Opium User RAW_FILE_NAME=U_8 SUBJECT_SAMPLE_FACTORS - U_80 Phenotype:Non-Opium User RAW_FILE_NAME=U_80 SUBJECT_SAMPLE_FACTORS - U_81 Phenotype:Opium User RAW_FILE_NAME=U_81 SUBJECT_SAMPLE_FACTORS - U_82 Phenotype:Opium User RAW_FILE_NAME=U_82 SUBJECT_SAMPLE_FACTORS - U_83 Phenotype:Non-Opium User RAW_FILE_NAME=U_83 SUBJECT_SAMPLE_FACTORS - U_84 Phenotype:Non-Opium User RAW_FILE_NAME=U_84 SUBJECT_SAMPLE_FACTORS - U_85 Phenotype:Non-Opium User RAW_FILE_NAME=U_85 SUBJECT_SAMPLE_FACTORS - U_86 Phenotype:Non-Opium User RAW_FILE_NAME=U_86 SUBJECT_SAMPLE_FACTORS - U_87 Phenotype:Non-Opium User RAW_FILE_NAME=U_87 SUBJECT_SAMPLE_FACTORS - U_88 Phenotype:Non-Opium User RAW_FILE_NAME=U_88 SUBJECT_SAMPLE_FACTORS - U_89 Phenotype:Non-Opium User RAW_FILE_NAME=U_89 SUBJECT_SAMPLE_FACTORS - U_9 Phenotype:Opium User RAW_FILE_NAME=U_9 SUBJECT_SAMPLE_FACTORS - U_90 Phenotype:Opium User RAW_FILE_NAME=U_90 SUBJECT_SAMPLE_FACTORS - U_91 Phenotype:Opium User RAW_FILE_NAME=U_91 SUBJECT_SAMPLE_FACTORS - U_92 Phenotype:Opium User RAW_FILE_NAME=U_92 SUBJECT_SAMPLE_FACTORS - U_93 Phenotype:Non-Opium User RAW_FILE_NAME=U_93 SUBJECT_SAMPLE_FACTORS - U_94 Phenotype:Non-Opium User RAW_FILE_NAME=U_94 SUBJECT_SAMPLE_FACTORS - U_97 Phenotype:Opium User RAW_FILE_NAME=U_97 SUBJECT_SAMPLE_FACTORS - U_99 Phenotype:Opium User RAW_FILE_NAME=U_99 #COLLECTION CO:COLLECTION_SUMMARY Non-fasted urine samples CO:SAMPLE_TYPE Urine CO:STORAGE_CONDITIONS -80℃ #TREATMENT TR:TREATMENT_SUMMARY NA #SAMPLEPREP SP:SAMPLEPREP_SUMMARY Aliquots of each de-identified sample were shipped to the NIH ERCMRC on dry ice SP:SAMPLEPREP_SUMMARY and immediately stored at -80 °C after being logged in for metabolomics SP:SAMPLEPREP_SUMMARY analysis. A total of 298 study urine samples were thawed at 4°C overnight. SP:SAMPLEPREP_SUMMARY Aliquots of 400 µL of study samples were transferred to 2.0mL pre-labeled SP:SAMPLEPREP_SUMMARY LoBind Eppendorf tubes. Aliquots of 400 µL of analytical quality control (QC) SP:SAMPLEPREP_SUMMARY external pooled urine samples were also transferred to 2.0mL pre-labeled LoBind SP:SAMPLEPREP_SUMMARY Eppendorf tubes. All samples were mixed with 300uL of NMR Master Mix solution SP:SAMPLEPREP_SUMMARY containing Chenomx ISTD: DSS-d6 and Phosphate Buffer at 7.4 pH in D2O. The tubes SP:SAMPLEPREP_SUMMARY were vortexed for 5 min on a multi-tube vortexer and centrifuged at 16,000 rcf SP:SAMPLEPREP_SUMMARY for 10 min. A 600uL aliquot of supernatants were transferred into a pre-labeled SP:SAMPLEPREP_SUMMARY 5mm 4" NMR tubes for data acquisition on a 700 MHz spectrometer. SP:PROCESSING_STORAGE_CONDITIONS On ice SP:EXTRACT_STORAGE Described in summary #ANALYSIS AN:ANALYSIS_TYPE NMR AN:LABORATORY_NAME ERCMRC AN:OPERATOR_NAME Kevin Knagge AN:DETECTOR_TYPE NMR AN:SOFTWARE_VERSION TopSpin 3.5 AN:ACQUISITION_DATE March 14 to 20, 2018 AN:DATA_FORMAT fid, 1r #NMR NM:INSTRUMENT_NAME Avance III 700 MHz NMR Spectrometer NM:INSTRUMENT_TYPE FT-NMR NM:NMR_EXPERIMENT_TYPE 1D-1H NM:FIELD_FREQUENCY_LOCK 3015 Hz, D2O NM:STANDARD_CONCENTRATION 0.5 mM NM:SPECTROMETER_FREQUENCY 700 MHz NM:NMR_PROBE CP QCI/HPCN NM:NMR_SOLVENT 90% H2O, 10% D2O NM:NMR_TUBE_SIZE 5 mm NM:SHIMMING_METHOD topshim NM:PULSE_SEQUENCE noesygppr1d NM:WATER_SUPPRESSION pre-saturation NM:PULSE_WIDTH 14 microseconds NM:POWER_LEVEL 12.3 Watts NM:RECEIVER_GAIN 36 NM:OFFSET_FREQUENCY 3289.61 Hz NM:PRESATURATION_POWER_LEVEL 0.0000964 Watts NM:CHEMICAL_SHIFT_REF_CPD DSS NM:TEMPERATURE 25 C NM:NUMBER_OF_SCANS 32 NM:DUMMY_SCANS 4 NM:ACQUISITION_TIME 3.9 seconds NM:RELAXATION_DELAY 2 seconds NM:SPECTRAL_WIDTH 12 ppm NM:NUM_DATA_POINTS_ACQUIRED 65536 NM:REAL_DATA_POINTS 32768 NM:LINE_BROADENING 0.5 Hz NM:ZERO_FILLING none NM:APODIZATION Lorentzian NM:BASELINE_CORRECTION_METHOD Polynomial NM:CHEMICAL_SHIFT_REF_STD DSS NM:BINNED_INCREMENT 0.04ppm NM:BINNED_DATA_EXCLUDED_RANGE 4.69-4.90ppm (water), 5.50-6.00ppm (urea) #_1 MS:MS_RESULTS_FILE ST001619_AN002654_Results.txt UNITS:ppm Has m/z:No Has RT:No RT units:No RT data #END