#METABOLOMICS WORKBENCH yli_20201201_142805 DATATRACK_ID:2338 STUDY_ID:ST001618 ANALYSIS_ID:AN002653 PROJECT_ID:PR001040 VERSION 1 CREATED_ON December 2, 2020, 8:36 am #PROJECT PR:PROJECT_TITLE Metabolomics Analysis: Opioid Addiction Project (Golestan Cohort Study) PR:PROJECT_TYPE Metabolomics 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 will be profiled using an untargeted liquid chromatography PR:PROJECT_SUMMARY mass spectrometric (LC-MS/MS) at University of North Carolina at Chapel Hill. PR:PROJECT_SUMMARY The Golestan Cohort Study is conducted in Northeast of Iran to primarily study PR:PROJECT_SUMMARY the risk factors for upper gastrointestinal cancers in this high-risk region, in PR:PROJECT_SUMMARY which about 50,000 volunteers were analyzed for opium users and their mortality. PR:PROJECT_SUMMARY More than 8,000 of participants (17%) age 40-75 reported opium use with a mean PR:PROJECT_SUMMARY duration of 12.7 years. Opium was either smoked or orally consumed. The PR:PROJECT_SUMMARY participants were selected from the cohort stratified by opium use patterns and PR:PROJECT_SUMMARY tobacco use. PR:INSTITUTE University of North Carolina at Chapel Hill PR:DEPARTMENT Nutrition PR:LAST_NAME Sumner PR:FIRST_NAME Susan PR:ADDRESS 500 Laureate Way, Kannapolis, NC 28081 PR:EMAIL susan_sumner@unc.edu PR:PHONE 9196224456 #STUDY ST:STUDY_TITLE Metabolomics Analysis: Opioid Addiction Project (Golestan Cohort Study) ST:STUDY_TYPE Untargeted LC-MS Metabolomics Study 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 will be profiled using an untargeted liquid chromatography ST:STUDY_SUMMARY mass spectrometric (LC-MS/MS) at University of North Carolina at Chapel Hill. ST:STUDY_SUMMARY The Golestan Cohort Study is conducted in Northeast of Iran to primarily study ST:STUDY_SUMMARY the risk factors for upper gastrointestinal cancers in this high-risk region, in ST:STUDY_SUMMARY which about 50,000 volunteers were analyzed for opium users and their mortality. ST:STUDY_SUMMARY More than 8,000 of participants (17%) age 40-75 reported opium use with a mean ST:STUDY_SUMMARY duration of 12.7 years. Opium was either smoked or orally consumed. The ST:STUDY_SUMMARY participants were selected from the cohort stratified by opium use patterns and ST:STUDY_SUMMARY tobacco use. ST:INSTITUTE University of North Carolina at Chapel Hill ST:DEPARTMENT Nutrition ST:LAST_NAME Sumner ST:FIRST_NAME Susan ST:ADDRESS 500 Laureate Way, Kannapolis, NC 28081 ST:EMAIL susan_sumner@unc.edu ST:PHONE 919-541-4456 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 - U_108 Phynotype:User RAW_FILE_NAME=U_108 SUBJECT_SAMPLE_FACTORS - U_112 Phynotype:User RAW_FILE_NAME=U_112 SUBJECT_SAMPLE_FACTORS - U_118 Phynotype:User RAW_FILE_NAME=U_118 SUBJECT_SAMPLE_FACTORS - U_12 Phynotype:User RAW_FILE_NAME=U_12 SUBJECT_SAMPLE_FACTORS - U_120 Phynotype:User RAW_FILE_NAME=U_120 SUBJECT_SAMPLE_FACTORS - U_122 Phynotype:User RAW_FILE_NAME=U_122 SUBJECT_SAMPLE_FACTORS - U_124 Phynotype:User RAW_FILE_NAME=U_124 SUBJECT_SAMPLE_FACTORS - 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U_276 Phynotype:User RAW_FILE_NAME=U_276 SUBJECT_SAMPLE_FACTORS - U_283 Phynotype:User RAW_FILE_NAME=U_283 SUBJECT_SAMPLE_FACTORS - U_291 Phynotype:User RAW_FILE_NAME=U_291 SUBJECT_SAMPLE_FACTORS - U_292 Phynotype:User RAW_FILE_NAME=U_292 SUBJECT_SAMPLE_FACTORS - U_298 Phynotype:User RAW_FILE_NAME=U_298 SUBJECT_SAMPLE_FACTORS - U_299 Phynotype:User RAW_FILE_NAME=U_299 SUBJECT_SAMPLE_FACTORS - U_301 Phynotype:User RAW_FILE_NAME=U_301 SUBJECT_SAMPLE_FACTORS - U_302 Phynotype:User RAW_FILE_NAME=U_302 SUBJECT_SAMPLE_FACTORS - U_303 Phynotype:User RAW_FILE_NAME=U_303 SUBJECT_SAMPLE_FACTORS - U_305 Phynotype:User RAW_FILE_NAME=U_305 SUBJECT_SAMPLE_FACTORS - U_308 Phynotype:User RAW_FILE_NAME=U_308 SUBJECT_SAMPLE_FACTORS - U_313 Phynotype:User RAW_FILE_NAME=U_313 SUBJECT_SAMPLE_FACTORS - U_320 Phynotype:User RAW_FILE_NAME=U_320 SUBJECT_SAMPLE_FACTORS - U_336 Phynotype:User RAW_FILE_NAME=U_336 SUBJECT_SAMPLE_FACTORS - U_337 Phynotype:User RAW_FILE_NAME=U_337 SUBJECT_SAMPLE_FACTORS - U_353 Phynotype:User RAW_FILE_NAME=U_353 SUBJECT_SAMPLE_FACTORS - U_355 Phynotype:User RAW_FILE_NAME=U_355 SUBJECT_SAMPLE_FACTORS - U_356 Phynotype:User RAW_FILE_NAME=U_356 SUBJECT_SAMPLE_FACTORS - U_357 Phynotype:User RAW_FILE_NAME=U_357 SUBJECT_SAMPLE_FACTORS - U_358 Phynotype:User RAW_FILE_NAME=U_358 SUBJECT_SAMPLE_FACTORS - U_360 Phynotype:User RAW_FILE_NAME=U_360 SUBJECT_SAMPLE_FACTORS - U_361 Phynotype:User RAW_FILE_NAME=U_361 SUBJECT_SAMPLE_FACTORS - U_363 Phynotype:User RAW_FILE_NAME=U_363 SUBJECT_SAMPLE_FACTORS - U_364 Phynotype:User RAW_FILE_NAME=U_364 SUBJECT_SAMPLE_FACTORS - U_367 Phynotype:User RAW_FILE_NAME=U_367 SUBJECT_SAMPLE_FACTORS - U_368 Phynotype:User RAW_FILE_NAME=U_368 SUBJECT_SAMPLE_FACTORS - U_369 Phynotype:User RAW_FILE_NAME=U_369 SUBJECT_SAMPLE_FACTORS - U_372 Phynotype:User RAW_FILE_NAME=U_372 SUBJECT_SAMPLE_FACTORS - U_373 Phynotype:User RAW_FILE_NAME=U_373 SUBJECT_SAMPLE_FACTORS - U_374 Phynotype:User RAW_FILE_NAME=U_374 SUBJECT_SAMPLE_FACTORS - U_380 Phynotype:User RAW_FILE_NAME=U_380 SUBJECT_SAMPLE_FACTORS - U_388 Phynotype:User RAW_FILE_NAME=U_388 SUBJECT_SAMPLE_FACTORS - U_396 Phynotype:User RAW_FILE_NAME=U_396 SUBJECT_SAMPLE_FACTORS - U_399 Phynotype:User RAW_FILE_NAME=U_399 SUBJECT_SAMPLE_FACTORS - U_402 Phynotype:User RAW_FILE_NAME=U_402 SUBJECT_SAMPLE_FACTORS - U_407 Phynotype:User RAW_FILE_NAME=U_407 SUBJECT_SAMPLE_FACTORS - U_409 Phynotype:User RAW_FILE_NAME=U_409 SUBJECT_SAMPLE_FACTORS - U_41 Phynotype:User RAW_FILE_NAME=U_41 SUBJECT_SAMPLE_FACTORS - U_411 Phynotype:User RAW_FILE_NAME=U_411 SUBJECT_SAMPLE_FACTORS - U_414 Phynotype:User RAW_FILE_NAME=U_414 SUBJECT_SAMPLE_FACTORS - U_415 Phynotype:User RAW_FILE_NAME=U_415 SUBJECT_SAMPLE_FACTORS - U_42 Phynotype:User RAW_FILE_NAME=U_42 SUBJECT_SAMPLE_FACTORS - U_423 Phynotype:User RAW_FILE_NAME=U_423 SUBJECT_SAMPLE_FACTORS - U_429 Phynotype:User RAW_FILE_NAME=U_429 SUBJECT_SAMPLE_FACTORS - U_431 Phynotype:User RAW_FILE_NAME=U_431 SUBJECT_SAMPLE_FACTORS - U_441 Phynotype:User RAW_FILE_NAME=U_441 SUBJECT_SAMPLE_FACTORS - U_447 Phynotype:User RAW_FILE_NAME=U_447 SUBJECT_SAMPLE_FACTORS - U_448 Phynotype:User RAW_FILE_NAME=U_448 SUBJECT_SAMPLE_FACTORS - U_451 Phynotype:User RAW_FILE_NAME=U_451 SUBJECT_SAMPLE_FACTORS - U_452 Phynotype:User RAW_FILE_NAME=U_452 SUBJECT_SAMPLE_FACTORS - U_453 Phynotype:User RAW_FILE_NAME=U_453 SUBJECT_SAMPLE_FACTORS - U_454 Phynotype:User RAW_FILE_NAME=U_454 SUBJECT_SAMPLE_FACTORS - U_459 Phynotype:User RAW_FILE_NAME=U_459 SUBJECT_SAMPLE_FACTORS - U_463 Phynotype:User RAW_FILE_NAME=U_463 SUBJECT_SAMPLE_FACTORS - U_466 Phynotype:User RAW_FILE_NAME=U_466 SUBJECT_SAMPLE_FACTORS - U_467 Phynotype:User RAW_FILE_NAME=U_467 SUBJECT_SAMPLE_FACTORS - U_473 Phynotype:User RAW_FILE_NAME=U_473 SUBJECT_SAMPLE_FACTORS - U_480 Phynotype:User RAW_FILE_NAME=U_480 SUBJECT_SAMPLE_FACTORS - U_481 Phynotype:User RAW_FILE_NAME=U_481 SUBJECT_SAMPLE_FACTORS - U_485 Phynotype:User RAW_FILE_NAME=U_485 SUBJECT_SAMPLE_FACTORS - U_488 Phynotype:User RAW_FILE_NAME=U_488 SUBJECT_SAMPLE_FACTORS - U_493 Phynotype:User RAW_FILE_NAME=U_493 SUBJECT_SAMPLE_FACTORS - U_497 Phynotype:User RAW_FILE_NAME=U_497 SUBJECT_SAMPLE_FACTORS - U_498 Phynotype:User RAW_FILE_NAME=U_498 SUBJECT_SAMPLE_FACTORS - U_520 Phynotype:User RAW_FILE_NAME=U_520 SUBJECT_SAMPLE_FACTORS - U_522 Phynotype:User RAW_FILE_NAME=U_522 SUBJECT_SAMPLE_FACTORS - U_523 Phynotype:User RAW_FILE_NAME=U_523 SUBJECT_SAMPLE_FACTORS - U_525 Phynotype:User RAW_FILE_NAME=U_525 SUBJECT_SAMPLE_FACTORS - U_58 Phynotype:User RAW_FILE_NAME=U_58 SUBJECT_SAMPLE_FACTORS - U_60 Phynotype:User RAW_FILE_NAME=U_60 SUBJECT_SAMPLE_FACTORS - U_65 Phynotype:User RAW_FILE_NAME=U_65 SUBJECT_SAMPLE_FACTORS - U_99 Phynotype:User RAW_FILE_NAME=U_99 SUBJECT_SAMPLE_FACTORS - SP_9 Phynotype:Study_Pools RAW_FILE_NAME=SP_9 SUBJECT_SAMPLE_FACTORS - SP_8 Phynotype:Study_Pools RAW_FILE_NAME=SP_8 SUBJECT_SAMPLE_FACTORS - SP_7 Phynotype:Study_Pools RAW_FILE_NAME=SP_7 SUBJECT_SAMPLE_FACTORS - SP_6 Phynotype:Study_Pools RAW_FILE_NAME=SP_6 SUBJECT_SAMPLE_FACTORS - SP_5 Phynotype:Study_Pools RAW_FILE_NAME=SP_5 SUBJECT_SAMPLE_FACTORS - SP_4 Phynotype:Study_Pools RAW_FILE_NAME=SP_4 SUBJECT_SAMPLE_FACTORS - SP_33 Phynotype:Study_Pools RAW_FILE_NAME=SP_33 SUBJECT_SAMPLE_FACTORS - SP_32 Phynotype:Study_Pools RAW_FILE_NAME=SP_32 SUBJECT_SAMPLE_FACTORS - SP_31 Phynotype:Study_Pools RAW_FILE_NAME=SP_31 SUBJECT_SAMPLE_FACTORS - SP_30 Phynotype:Study_Pools RAW_FILE_NAME=SP_30 SUBJECT_SAMPLE_FACTORS - SP_3 Phynotype:Study_Pools RAW_FILE_NAME=SP_3 SUBJECT_SAMPLE_FACTORS - SP_29 Phynotype:Study_Pools RAW_FILE_NAME=SP_29 SUBJECT_SAMPLE_FACTORS - SP_28 Phynotype:Study_Pools RAW_FILE_NAME=SP_28 SUBJECT_SAMPLE_FACTORS - SP_27 Phynotype:Study_Pools RAW_FILE_NAME=SP_27 SUBJECT_SAMPLE_FACTORS - SP_26 Phynotype:Study_Pools RAW_FILE_NAME=SP_26 SUBJECT_SAMPLE_FACTORS - SP_25 Phynotype:Study_Pools RAW_FILE_NAME=SP_25 SUBJECT_SAMPLE_FACTORS - SP_24 Phynotype:Study_Pools RAW_FILE_NAME=SP_24 SUBJECT_SAMPLE_FACTORS - SP_23_3 Phynotype:Study_Pools RAW_FILE_NAME=SP_23_3 SUBJECT_SAMPLE_FACTORS - SP_23_2 Phynotype:Study_Pools RAW_FILE_NAME=SP_23_2 SUBJECT_SAMPLE_FACTORS - SP_23_1 Phynotype:Study_Pools RAW_FILE_NAME=SP_23_1 SUBJECT_SAMPLE_FACTORS - SP_22 Phynotype:Study_Pools RAW_FILE_NAME=SP_22 SUBJECT_SAMPLE_FACTORS - SP_21 Phynotype:Study_Pools RAW_FILE_NAME=SP_21 SUBJECT_SAMPLE_FACTORS - SP_20 Phynotype:Study_Pools RAW_FILE_NAME=SP_20 SUBJECT_SAMPLE_FACTORS - SP_2 Phynotype:Study_Pools RAW_FILE_NAME=SP_2 SUBJECT_SAMPLE_FACTORS - SP_18 Phynotype:Study_Pools RAW_FILE_NAME=SP_18 SUBJECT_SAMPLE_FACTORS - SP_17 Phynotype:Study_Pools RAW_FILE_NAME=SP_17 SUBJECT_SAMPLE_FACTORS - SP_16 Phynotype:Study_Pools RAW_FILE_NAME=SP_16 SUBJECT_SAMPLE_FACTORS - SP_15 Phynotype:Study_Pools RAW_FILE_NAME=SP_15 SUBJECT_SAMPLE_FACTORS - SP_14 Phynotype:Study_Pools RAW_FILE_NAME=SP_14 SUBJECT_SAMPLE_FACTORS - SP_13 Phynotype:Study_Pools RAW_FILE_NAME=SP_13 SUBJECT_SAMPLE_FACTORS - SP_12_3 Phynotype:Study_Pools RAW_FILE_NAME=SP_12_3 SUBJECT_SAMPLE_FACTORS - SP_12_2 Phynotype:Study_Pools RAW_FILE_NAME=SP_12_2 SUBJECT_SAMPLE_FACTORS - SP_12_1 Phynotype:Study_Pools RAW_FILE_NAME=SP_12_1 SUBJECT_SAMPLE_FACTORS - SP_11 Phynotype:Study_Pools RAW_FILE_NAME=SP_11 SUBJECT_SAMPLE_FACTORS - SP_10 Phynotype:Study_Pools RAW_FILE_NAME=SP_10 SUBJECT_SAMPLE_FACTORS - SP_1_3 Phynotype:Study_Pools RAW_FILE_NAME=SP_1_3 SUBJECT_SAMPLE_FACTORS - SP_1_2 Phynotype:Study_Pools RAW_FILE_NAME=SP_1_2 SUBJECT_SAMPLE_FACTORS - SP_1_1 Phynotype:Study_Pools RAW_FILE_NAME=SP_1_1 #COLLECTION CO:COLLECTION_SUMMARY Non-fasted urine sample; spot urine. CO:SAMPLE_TYPE Urine CO:STORAGE_CONDITIONS -80℃ #TREATMENT TR:TREATMENT_SUMMARY N/A #SAMPLEPREP SP:SAMPLEPREP_SUMMARY Urine samples were allowed to thaw at 4 °C overnight. All samples were vortexed SP:SAMPLEPREP_SUMMARY via multiple tube vortex for 2 min at 3000 rpm. The urine were spin downed using SP:SAMPLEPREP_SUMMARY centrifuge at 1000 rpm for 30 sec. A volume of 7 µL aliquot of all 298 samples SP:SAMPLEPREP_SUMMARY were transferred into one 10.0 mL tube labeled as pooled. A volume of 50 µL of SP:SAMPLEPREP_SUMMARY urine (including study pool) was transferred to a new, pre-labeled Lo-Bind SP:SAMPLEPREP_SUMMARY Eppendorf tube. A volume of 400 µL Protein Precipitation Buffer with Internal SP:SAMPLEPREP_SUMMARY Standard (500 ng/ml Tryptophan-d5 in methanol) was added to each tube. All SP:SAMPLEPREP_SUMMARY individual samples were thoroughly mixed on multiple tube vortexer for 2 mins at SP:SAMPLEPREP_SUMMARY 5000 rpm. The protein precipitate was palleted using a centrifuge operating at SP:SAMPLEPREP_SUMMARY room temperature and at 16,000 rcf for 4 min. A volume of 350 µl of the SP:SAMPLEPREP_SUMMARY supernatant was transferred into pre-labeled 2.0 ml Low-bind Eppendorf tube. SP:SAMPLEPREP_SUMMARY Sample were dried using speed vac overnight. A volume of 100 µL of SP:SAMPLEPREP_SUMMARY reconstitution buffer (95:5 Water-Methanol) was added to each sample. Samples SP:SAMPLEPREP_SUMMARY were thoroughly mixed on multiple tube vortexer for 10 mins at 5000 rpm. Samples SP:SAMPLEPREP_SUMMARY were centrifuged at 4°C and at 16,000 rcf for 10 min. The supernatant was SP:SAMPLEPREP_SUMMARY transferred to pre-labeled autosampler vials. A volume of 5 µL was injected SP:SAMPLEPREP_SUMMARY onto column. SP:PROCESSING_STORAGE_CONDITIONS On ice SP:EXTRACT_STORAGE Described in summary #CHROMATOGRAPHY CH:CHROMATOGRAPHY_TYPE Reversed phase CH:INSTRUMENT_NAME Thermo Scientificâ„¢ Vanquishâ„¢ UPHPLC CH:COLUMN_NAME Acquity UPLC HSS T3 C18 (2.1 X 100 mm, 1.8 µm) CH:FLOW_GRADIENT Time(min) Flow Rate %A %B Curve 1. 0 0.4 99.0 1.0 5 2. 1.00 0.4 99.0 1.0 5 3. CH:FLOW_GRADIENT 16.00 0.4 1.0 99.0 5 4. 19.00 0.4 1.0 99.0 5 5. 19.50 0.4 99.0 1.0 5 CH:FLOW_RATE 0.4 ml/min CH:COLUMN_TEMPERATURE 50 CH:SOLVENT_A Water with 0.1% Formic Acid CH:SOLVENT_B Methanol with 0.1% Formic Acid CH:COLUMN_PRESSURE 6000-10000 CH:INJECTION_TEMPERATURE 8 #ANALYSIS AN:ANALYSIS_TYPE MS AN:LABORATORY_NAME UNC-NRI Sumner lab AN:OPERATOR_NAME Yuanyuan Li AN:DETECTOR_TYPE Orbitrap AN:SOFTWARE_VERSION Xcalibur 4.1 AN:DATA_FORMAT profile #MS MS:INSTRUMENT_NAME Thermo Q Exactive HF hybrid Orbitrap MS:INSTRUMENT_TYPE Orbitrap MS:MS_TYPE ESI MS:ION_MODE POSITIVE MS:MS_COMMENTS Instrument: Thermo Q Exactive HFx Software: Progenesis QI 2.0 MS:CAPILLARY_TEMPERATURE 275 °C MS:CAPILLARY_VOLTAGE 3.5 KV MS:COLLISION_ENERGY 10-35, ramp MS:COLLISION_GAS N2 MS:DRY_GAS_FLOW 45 MS:DRY_GAS_TEMP 325°C MS:FRAGMENTATION_METHOD CID MS:DESOLVATION_GAS_FLOW 45 MS:MS_RESULTS_FILE ST001618_AN002653_Results.txt UNITS:Peak area Has m/z:Yes Has RT:Yes RT units:Minutes #END