#METABOLOMICS WORKBENCH J_aldana11_20171229_163009 DATATRACK_ID:1287 STUDY_ID:ST000918 ANALYSIS_ID:AN001504 VERSION 1 CREATED_ON 03-03-2022 #PROJECT PR:PROJECT_TITLE Multiplatform plasma metabolic and lipid fingerprinting of breast cancer: a PR:PROJECT_TITLE pilot control-case study in Colombian Hispanic women. PR:PROJECT_SUMMARY In this pilot study, a metabolomic approaches was performed to establish a PR:PROJECT_SUMMARY plasma metabolic fingerprint of Colombian Hispanic women with breast cancer. PR:PROJECT_SUMMARY Data from NMR, GC-MS and LC-MS were combined and compared. PR:INSTITUTE Universidad de los Andes, Colombia PR:DEPARTMENT Chemistry PR:LAST_NAME Cala PR:FIRST_NAME Monica PR:ADDRESS Cra. 1 #18a-12 PR:EMAIL mp.cala10@uniandes.edu.co PR:PHONE +571 3394949 PR:DOI http://dx.doi.org/10.21228/M8QM3R #STUDY ST:STUDY_TITLE Plasma metabolic fingerprint for breast cancer (MS) - part I ST:STUDY_TYPE control - case ST:STUDY_SUMMARY Breast cancer is a highly heterogeneous disease associated with metabolic ST:STUDY_SUMMARY reprogramming. The shifts in the metabolome caused by breast cancer still lack ST:STUDY_SUMMARY data from Latin populations of Hispanic origin. In this pilot study, metabolomic ST:STUDY_SUMMARY and lipidomic approaches were performed to establish a plasma metabolic ST:STUDY_SUMMARY fingerprint of Colombian Hispanic women with breast cancer. NMR, GC-MS and LC-MS ST:STUDY_SUMMARY datasets were combined and compared. Statistics showed discrimination between ST:STUDY_SUMMARY breast cancer and healthy subjects on all analytical platforms. ST:INSTITUTE Universidad de los Andes, Colombia ST:DEPARTMENT Chemistry ST:LAST_NAME Cala ST:FIRST_NAME Monica ST:ADDRESS Cra. 1 #18a-12 ST:EMAIL mp.cala10@uniandes.edu.co ST:PHONE +571 3394949 ST:SUBMIT_DATE 2017-12-29 #SUBJECT SU:SUBJECT_TYPE Human SU:SUBJECT_SPECIES Homo sapiens SU:TAXONOMY_ID 9606 SU:AGE_OR_AGE_RANGE 35 - 65 SU:WEIGHT_OR_WEIGHT_RANGE 61 - 75 SU:GENDER Female #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data SUBJECT_SAMPLE_FACTORS BCP01 BCP01 Disease Status:Breast cancer patient SUBJECT_SAMPLE_FACTORS BCP02 BCP02 Disease Status:Breast cancer patient SUBJECT_SAMPLE_FACTORS BCP03 BCP03 Disease Status:Breast cancer patient SUBJECT_SAMPLE_FACTORS BCP04 BCP04 Disease Status:Breast cancer patient SUBJECT_SAMPLE_FACTORS BCP05 BCP05 Disease Status:Breast cancer patient SUBJECT_SAMPLE_FACTORS BCP06 BCP06 Disease Status:Breast cancer patient SUBJECT_SAMPLE_FACTORS BCP07 BCP07 Disease Status:Breast cancer patient SUBJECT_SAMPLE_FACTORS BCP08 BCP08 Disease Status:Breast cancer patient SUBJECT_SAMPLE_FACTORS BCP09 BCP09 Disease Status:Breast cancer patient SUBJECT_SAMPLE_FACTORS BCP10 BCP10 Disease Status:Breast cancer patient SUBJECT_SAMPLE_FACTORS BCP11 BCP11 Disease Status:Breast cancer patient SUBJECT_SAMPLE_FACTORS BCP12 BCP12 Disease Status:Breast cancer patient SUBJECT_SAMPLE_FACTORS BCP13 BCP13 Disease Status:Breast cancer patient SUBJECT_SAMPLE_FACTORS BCP14 BCP14 Disease Status:Breast cancer patient SUBJECT_SAMPLE_FACTORS BCP15 BCP15 Disease Status:Breast cancer patient SUBJECT_SAMPLE_FACTORS BCP16 BCP16 Disease Status:Breast cancer patient SUBJECT_SAMPLE_FACTORS BCP17 BCP17 Disease Status:Breast cancer patient SUBJECT_SAMPLE_FACTORS BCP18 BCP18 Disease Status:Breast cancer patient SUBJECT_SAMPLE_FACTORS BCP19 BCP19 Disease Status:Breast cancer patient SUBJECT_SAMPLE_FACTORS BCP20 BCP20 Disease Status:Breast cancer patient SUBJECT_SAMPLE_FACTORS BCP21 BCP21 Disease Status:Breast cancer patient SUBJECT_SAMPLE_FACTORS BCP22 BCP22 Disease Status:Breast cancer patient SUBJECT_SAMPLE_FACTORS BCP23 BCP23 Disease Status:Breast cancer patient SUBJECT_SAMPLE_FACTORS BCP24 BCP24 Disease Status:Breast cancer patient SUBJECT_SAMPLE_FACTORS BCP25 BCP25 Disease Status:Breast cancer patient SUBJECT_SAMPLE_FACTORS BCP26 BCP26 Disease Status:Breast cancer patient SUBJECT_SAMPLE_FACTORS BCP27 BCP27 Disease Status:Breast cancer patient SUBJECT_SAMPLE_FACTORS BCP28 BCP28 Disease Status:Breast cancer patient SUBJECT_SAMPLE_FACTORS BCP29 BCP29 Disease Status:Breast cancer patient SUBJECT_SAMPLE_FACTORS CP01 CP01 Disease Status:Control patient SUBJECT_SAMPLE_FACTORS CP02 CP02 Disease Status:Control patient SUBJECT_SAMPLE_FACTORS CP03 CP03 Disease Status:Control patient SUBJECT_SAMPLE_FACTORS CP04 CP04 Disease Status:Control patient SUBJECT_SAMPLE_FACTORS CP05 CP05 Disease Status:Control patient SUBJECT_SAMPLE_FACTORS CP06 CP06 Disease Status:Control patient SUBJECT_SAMPLE_FACTORS CP07 CP07 Disease Status:Control patient SUBJECT_SAMPLE_FACTORS CP08 CP08 Disease Status:Control patient SUBJECT_SAMPLE_FACTORS CP09 CP09 Disease Status:Control patient SUBJECT_SAMPLE_FACTORS CP10 CP10 Disease Status:Control patient SUBJECT_SAMPLE_FACTORS CP11 CP11 Disease Status:Control patient SUBJECT_SAMPLE_FACTORS CP12 CP12 Disease Status:Control patient SUBJECT_SAMPLE_FACTORS CP13 CP13 Disease Status:Control patient SUBJECT_SAMPLE_FACTORS CP14 CP14 Disease Status:Control patient SUBJECT_SAMPLE_FACTORS CP15 CP15 Disease Status:Control patient SUBJECT_SAMPLE_FACTORS CP16 CP16 Disease Status:Control patient SUBJECT_SAMPLE_FACTORS CP17 CP17 Disease Status:Control patient SUBJECT_SAMPLE_FACTORS CP18 CP18 Disease Status:Control patient SUBJECT_SAMPLE_FACTORS CP19 CP19 Disease Status:Control patient SUBJECT_SAMPLE_FACTORS CP20 CP20 Disease Status:Control patient SUBJECT_SAMPLE_FACTORS CP21 CP21 Disease Status:Control patient SUBJECT_SAMPLE_FACTORS CP22 CP22 Disease Status:Control patient SUBJECT_SAMPLE_FACTORS CP23 CP23 Disease Status:Control patient SUBJECT_SAMPLE_FACTORS CP24 CP24 Disease Status:Control patient SUBJECT_SAMPLE_FACTORS CP25 CP25 Disease Status:Control patient SUBJECT_SAMPLE_FACTORS CP26 CP26 Disease Status:Control patient SUBJECT_SAMPLE_FACTORS CP27 CP27 Disease Status:Control patient SUBJECT_SAMPLE_FACTORS CP28 CP28 Disease Status:Control patient SUBJECT_SAMPLE_FACTORS CP29 CP29 Disease Status:Control patient #COLLECTION CO:COLLECTION_SUMMARY Venous blood samples were taken in the morning after overnight fasting and were CO:COLLECTION_SUMMARY collected using K3EDTA tubes CO:SAMPLE_TYPE Blood CO:COLLECTION_METHOD Venous CO:COLLECTION_FREQUENCY one CO:VOLUMEORAMOUNT_COLLECTED 5 mL CO:STORAGE_CONDITIONS -80C CO:ADDITIVES K3EDTA CO:BLOOD_SERUM_OR_PLASMA Plasma #TREATMENT TR:TREATMENT_SUMMARY None TR:HUMAN_FASTING Overnight #SAMPLEPREP SP:SAMPLEPREP_SUMMARY 40 µL of plasma was deproteinized with cold acetonitrile (1:3,−20 °C), SP:SAMPLEPREP_SUMMARY followed by a two-step derivatization: (i) methoximation with O-Methoxyamine SP:SAMPLEPREP_SUMMARY hydrochloride in pyridine (15 mg/mL, room temperature, 16 h) followed by (ii) SP:SAMPLEPREP_SUMMARY silylation with BSTFA containing 1% TMCS (70 °C, 1 h). SP:PROCESSING_METHOD Protein precipitation followed by metabolite extraction SP:PROCESSING_STORAGE_CONDITIONS On ice SP:EXTRACTION_METHOD Acetonitrile SP:SAMPLE_DERIVATIZATION Methoximation and silylation #CHROMATOGRAPHY CH:CHROMATOGRAPHY_SUMMARY Untargeted LC/MS method CH:CHROMATOGRAPHY_COMMENTS HPLC system 1200 series coupled to Q-TOF 6520 CH:INSTRUMENT_NAME Agilent 1200 CH:COLUMN_NAME Phenomenex Kinetex C18 (150 x 2.1mm, 2.6 um) CH:COLUMN_PRESSURE 300 bar CH:COLUMN_TEMPERATURE 40°C CH:FLOW_GRADIENT 25% B increased then to 95% B in 35 min, returned to initial conditions in 1 min CH:FLOW_GRADIENT and was kept constant for 9 min to ensure re-equilibration of the column CH:FLOW_RATE 0.3 mL/min CH:SAMPLE_INJECTION 10 uL CH:SOLVENT_A 0.1% (v/v) formic acid in water CH:SOLVENT_B 0.1% (v/v) formic acid in acetonitrile CH:CHROMATOGRAPHY_TYPE Reversed phase #ANALYSIS AN:ANALYSIS_TYPE MS #MS MS:INSTRUMENT_NAME Agilent 6530 QTOF MS:INSTRUMENT_TYPE QTOF MS:MS_TYPE ESI MS:ION_MODE POSITIVE MS:CAPILLARY_VOLTAGE 3500 V MS:SCAN_RANGE_MOVERZ 100 / 1200 m/z MS:SCANNING 1.38 scan/s MS:MS_RESULTS_FILE ST000918_AN001504_Results.txt UNITS:peak area Has m/z:Yes Has RT:Yes RT units:Minutes #END