#METABOLOMICS WORKBENCH LarissaBRica_20230404_122656 DATATRACK_ID:3838 STUDY_ID:ST002554 ANALYSIS_ID:AN004205 PROJECT_ID:PR001646 VERSION 1 CREATED_ON April 10, 2023, 9:50 am #PROJECT PR:PROJECT_TITLE Untargeted lipidomic analysis of blood plasma samples from drug-naïve patients PR:PROJECT_TITLE with bipolar disorder and schizophrenia PR:PROJECT_TYPE Untargeted lipidomic analysis PR:PROJECT_SUMMARY In this study, we obtained a lipidomic profile of plasma samples from patients PR:PROJECT_SUMMARY with schizophrenia (SZ) and bipolar disorder (BD) in comparison to healthy PR:PROJECT_SUMMARY controls (CT). The sample cohort consisted of 60 drug-naïve patients and 30 PR:PROJECT_SUMMARY control individuals. Untargeted lipidomics strategy using liquid chromatography PR:PROJECT_SUMMARY coupled to high resolution mass spectrometry was employed to obtain the data, PR:PROJECT_SUMMARY and univariate and multivariate statistical tools were applied to evaluate the PR:PROJECT_SUMMARY results. Metabolic pathway networks were constructed and our results PR:PROJECT_SUMMARY demonstrated alterations in different lipid pathways, such as PR:PROJECT_SUMMARY glycerophospholipids, sphingolipids, and prostaglandins between schizophrenia PR:PROJECT_SUMMARY and bipolar disorder patients. PR:INSTITUTE University of Campinas PR:DEPARTMENT Institute of Chemistry PR:LABORATORY LaBIOmics - Laboratory of Bioanalytics and Integrated Omics PR:LAST_NAME Brixner Riça PR:FIRST_NAME Larissa PR:ADDRESS Laboratório B-211 a 215 - Instituto de Química, R. Josué de Castro, 126-336 - PR:ADDRESS Cidade Universitária, Campinas - SP PR:EMAIL larissabrixner@gmail.com PR:PHONE +55 19 35213060 #STUDY ST:STUDY_TITLE Untargeted lipidomic analysis of blood plasma samples from drug-naïve patients ST:STUDY_TITLE with bipolar disorder and schizophrenia ST:STUDY_TYPE Untargeted lipidomic analysis ST:STUDY_SUMMARY In this study, we obtained a lipidomic profile of plasma samples from patients ST:STUDY_SUMMARY with schizophrenia (SZ) and bipolar disorder (BD) in comparison to healthy ST:STUDY_SUMMARY controls (CT). The sample cohort consisted of 60 drug-naïve patients and 30 ST:STUDY_SUMMARY control individuals. Untargeted lipidomics strategy using liquid chromatography ST:STUDY_SUMMARY coupled to high resolution mass spectrometry was employed to obtain the data, ST:STUDY_SUMMARY and univariate and multivariate statistical tools were applied to evaluate the ST:STUDY_SUMMARY results. Metabolic pathway networks were constructed and our results ST:STUDY_SUMMARY demonstrated alterations in different lipid pathways, such as ST:STUDY_SUMMARY glycerophospholipids, sphingolipids, and prostaglandins between schizophrenia ST:STUDY_SUMMARY and bipolar disorder patients. The differential diagnosis is crucial for ST:STUDY_SUMMARY effective treatment and improving the quality of life of patients with psychotic ST:STUDY_SUMMARY disorders. ST:INSTITUTE University of Campinas ST:DEPARTMENT Institute of Chemistry ST:LABORATORY LaBIOmics - Laboratory of Bioanalytics and Integrated Omics ST:LAST_NAME Brixner Riça ST:FIRST_NAME Larissa ST:ADDRESS Laboratório B-211 a 215 - Instituto de Química, R. Josué de Castro, 126-336 - ST:ADDRESS Cidade Universitária, Campinas - SP ST:EMAIL larissabrixner@gmail.com ST:PHONE +55 19 35213060 ST:NUM_GROUPS 3 ST:TOTAL_SUBJECTS 90 ST:NUM_MALES 42 ST:NUM_FEMALES 48 #SUBJECT SU:SUBJECT_TYPE Human SU:SUBJECT_SPECIES Homo sapiens SU:TAXONOMY_ID 9606 SU:AGE_OR_AGE_RANGE 15-38 SU:GENDER Male and female SU:HUMAN_INCLUSION_CRITERIA -- SU:HUMAN_EXCLUSION_CRITERIA Subjects with other psychiatric or neurological disorders were excluded #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 - CT01 Group:Control Gender=1; Age=31; Years_Education=11; RAW_FILE_NAME=CT01.mzML SUBJECT_SAMPLE_FACTORS - CT02 Group:Control Gender=2; Age=23; Years_Education=15; RAW_FILE_NAME=CT02.mzML SUBJECT_SAMPLE_FACTORS - CT03 Group:Control Gender=1; Age=28; Years_Education=13; RAW_FILE_NAME=CT03.mzML SUBJECT_SAMPLE_FACTORS - CT04 Group:Control Gender=2; Age=28; Years_Education=11; RAW_FILE_NAME=CT04.mzML SUBJECT_SAMPLE_FACTORS - CT05 Group:Control Gender=2; Age=30; Years_Education=15; RAW_FILE_NAME=CT05.mzML SUBJECT_SAMPLE_FACTORS - CT06 Group:Control Gender=1; Age=31; Years_Education=11; RAW_FILE_NAME=CT06.mzML SUBJECT_SAMPLE_FACTORS - CT07 Group:Control Gender=2; Age=23; Years_Education=15; RAW_FILE_NAME=CT07.mzML SUBJECT_SAMPLE_FACTORS - CT08 Group:Control Gender=1; Age=28; Years_Education=21; RAW_FILE_NAME=CT08.mzML SUBJECT_SAMPLE_FACTORS - CT09 Group:Control Gender=1; Age=24; Years_Education=8; RAW_FILE_NAME=CT09.mzML SUBJECT_SAMPLE_FACTORS - CT10 Group:Control Gender=2; Age=23; Years_Education=13; RAW_FILE_NAME=CT10.mzML SUBJECT_SAMPLE_FACTORS - CT11 Group:Control Gender=2; Age=27; Years_Education=17; RAW_FILE_NAME=CT11.mzML SUBJECT_SAMPLE_FACTORS - CT12 Group:Control Gender=2; Age=26; Years_Education=14; RAW_FILE_NAME=CT12.mzML SUBJECT_SAMPLE_FACTORS - CT13 Group:Control Gender=2; Age=26; Years_Education=14; RAW_FILE_NAME=CT13.mzML SUBJECT_SAMPLE_FACTORS - CT14 Group:Control Gender=1; Age=26; Years_Education=12; RAW_FILE_NAME=CT14.mzML SUBJECT_SAMPLE_FACTORS - CT15 Group:Control Gender=1; Age=23; Years_Education=16; RAW_FILE_NAME=CT15.mzML SUBJECT_SAMPLE_FACTORS - CT16 Group:Control Gender=1; Age=26; Years_Education=12; RAW_FILE_NAME=CT16.mzML SUBJECT_SAMPLE_FACTORS - CT17 Group:Control Gender=1; Age=29; Years_Education=15; RAW_FILE_NAME=CT17.mzML SUBJECT_SAMPLE_FACTORS - CT18 Group:Control Gender=1; Age=23; Years_Education=16; RAW_FILE_NAME=CT18.mzML SUBJECT_SAMPLE_FACTORS - CT19 Group:Control Gender=2; Age=27; Years_Education=17; RAW_FILE_NAME=CT19.mzML SUBJECT_SAMPLE_FACTORS - CT20 Group:Control Gender=1; Age=26; Years_Education=15; RAW_FILE_NAME=CT20.mzML SUBJECT_SAMPLE_FACTORS - CT21 Group:Control Gender=2; Age=27; Years_Education=15; RAW_FILE_NAME=CT21.mzML SUBJECT_SAMPLE_FACTORS - CT22 Group:Control Gender=2; Age=27; Years_Education=18; RAW_FILE_NAME=CT22.mzML SUBJECT_SAMPLE_FACTORS - CT23 Group:Control Gender=1; Age=27; Years_Education=12; RAW_FILE_NAME=CT23.mzML SUBJECT_SAMPLE_FACTORS - CT24 Group:Control Gender=2; Age=27; Years_Education=15; RAW_FILE_NAME=CT24.mzML SUBJECT_SAMPLE_FACTORS - CT25 Group:Control Gender=1; Age=27; Years_Education=17; RAW_FILE_NAME=CT25.mzML SUBJECT_SAMPLE_FACTORS - CT26 Group:Control Gender=2; Age=27; Years_Education=11; RAW_FILE_NAME=CT26.mzML SUBJECT_SAMPLE_FACTORS - CT27 Group:Control Gender=2; Age=27; Years_Education=18; RAW_FILE_NAME=CT27.mzML SUBJECT_SAMPLE_FACTORS - CT28 Group:Control Gender=2; Age=25; Years_Education=11; RAW_FILE_NAME=CT28.mzML SUBJECT_SAMPLE_FACTORS - CT29 Group:Control Gender=1; Age=27; Years_Education=15; RAW_FILE_NAME=CT29.mzML SUBJECT_SAMPLE_FACTORS - CT30 Group:Control Gender=1; Age=27; Years_Education=17; RAW_FILE_NAME=CT30.mzML SUBJECT_SAMPLE_FACTORS - BD01 Group:BD Gender=2; Age=34; Years_Education=-; RAW_FILE_NAME=BD01.mzML SUBJECT_SAMPLE_FACTORS - BD02 Group:BD Gender=2; Age=32; Years_Education=16; RAW_FILE_NAME=BD02.mzML SUBJECT_SAMPLE_FACTORS - BD03 Group:BD Gender=1; Age=23; Years_Education=11; RAW_FILE_NAME=BD03.mzML SUBJECT_SAMPLE_FACTORS - BD04 Group:BD Gender=2; Age=26; Years_Education=-; RAW_FILE_NAME=BD04.mzML SUBJECT_SAMPLE_FACTORS - BD05 Group:BD Gender=1; Age=23; Years_Education=11; RAW_FILE_NAME=BD05.mzML SUBJECT_SAMPLE_FACTORS - BD06 Group:BD Gender=2; Age=17; Years_Education=10; RAW_FILE_NAME=BD06.mzML SUBJECT_SAMPLE_FACTORS - BD07 Group:BD Gender=2; Age=28; Years_Education=11; RAW_FILE_NAME=BD07.mzML SUBJECT_SAMPLE_FACTORS - BD08 Group:BD Gender=2; Age=23; Years_Education=15; RAW_FILE_NAME=BD08.mzML SUBJECT_SAMPLE_FACTORS - BD09 Group:BD Gender=1; Age=30; Years_Education=15; RAW_FILE_NAME=BD09.mzML SUBJECT_SAMPLE_FACTORS - BD10 Group:BD Gender=1; Age=29; Years_Education=11; RAW_FILE_NAME=BD10.mzML SUBJECT_SAMPLE_FACTORS - BD11 Group:BD Gender=2; Age=23; Years_Education=15; RAW_FILE_NAME=BD11.mzML SUBJECT_SAMPLE_FACTORS - BD12 Group:BD Gender=1; Age=30; Years_Education=15; RAW_FILE_NAME=BD12.mzML SUBJECT_SAMPLE_FACTORS - BD13 Group:BD Gender=2; Age=27; Years_Education=11; RAW_FILE_NAME=BD13.mzML SUBJECT_SAMPLE_FACTORS - BD14 Group:BD Gender=1; Age=29; Years_Education=11; RAW_FILE_NAME=BD14.mzML SUBJECT_SAMPLE_FACTORS - BD15 Group:BD Gender=1; Age=30; Years_Education=11; RAW_FILE_NAME=BD15.mzML SUBJECT_SAMPLE_FACTORS - BD16 Group:BD Gender=1; Age=21; Years_Education=10; RAW_FILE_NAME=BD16.mzML SUBJECT_SAMPLE_FACTORS - BD17 Group:BD Gender=1; Age=30; Years_Education=11; RAW_FILE_NAME=BD17.mzML SUBJECT_SAMPLE_FACTORS - BD18 Group:BD Gender=2; Age=22; Years_Education=11; RAW_FILE_NAME=BD18.mzML SUBJECT_SAMPLE_FACTORS - BD19 Group:BD Gender=2; Age=33; Years_Education=11; RAW_FILE_NAME=BD19.mzML SUBJECT_SAMPLE_FACTORS - BD20 Group:BD Gender=2; Age=25; Years_Education=14; RAW_FILE_NAME=BD20.mzML SUBJECT_SAMPLE_FACTORS - BD21 Group:BD Gender=2; Age=27; Years_Education=13; RAW_FILE_NAME=BD21.mzML SUBJECT_SAMPLE_FACTORS - BD22 Group:BD Gender=1; Age=21; Years_Education=10; RAW_FILE_NAME=BD22.mzML SUBJECT_SAMPLE_FACTORS - BD23 Group:BD Gender=2; Age=22; Years_Education=11; RAW_FILE_NAME=BD23.mzML SUBJECT_SAMPLE_FACTORS - BD24 Group:BD Gender=2; Age=19; Years_Education=12; RAW_FILE_NAME=BD24.mzML SUBJECT_SAMPLE_FACTORS - BD25 Group:BD Gender=2; Age=26; Years_Education=13; RAW_FILE_NAME=BD25.mzML SUBJECT_SAMPLE_FACTORS - BD26 Group:BD Gender=2; Age=31; Years_Education=12; RAW_FILE_NAME=BD26.mzML SUBJECT_SAMPLE_FACTORS - BD27 Group:BD Gender=2; Age=31; Years_Education=17; RAW_FILE_NAME=BD27.mzML SUBJECT_SAMPLE_FACTORS - BD28 Group:BD Gender=2; Age=27; Years_Education=15; RAW_FILE_NAME=BD28.mzML SUBJECT_SAMPLE_FACTORS - BD29 Group:BD Gender=1; Age=31; Years_Education=15; RAW_FILE_NAME=BD29.mzML SUBJECT_SAMPLE_FACTORS - BD30 Group:BD Gender=2; Age=27; Years_Education=15; RAW_FILE_NAME=BD30.mzML SUBJECT_SAMPLE_FACTORS - SZ01 Group:SZ Gender=1; Age=30; Years_Education=10; RAW_FILE_NAME=SZ01.mzML SUBJECT_SAMPLE_FACTORS - SZ02 Group:SZ Gender=1; Age=18; Years_Education=11; RAW_FILE_NAME=SZ02.mzML SUBJECT_SAMPLE_FACTORS - SZ03 Group:SZ Gender=2; Age=21; Years_Education=11; RAW_FILE_NAME=SZ03.mzML SUBJECT_SAMPLE_FACTORS - SZ04 Group:SZ Gender=2; Age=30; Years_Education=15; RAW_FILE_NAME=SZ04.mzML SUBJECT_SAMPLE_FACTORS - SZ05 Group:SZ Gender=1; Age=28; Years_Education=15; RAW_FILE_NAME=SZ05.mzML SUBJECT_SAMPLE_FACTORS - SZ06 Group:SZ Gender=1; Age=21; Years_Education=11; RAW_FILE_NAME=SZ06.mzML SUBJECT_SAMPLE_FACTORS - SZ07 Group:SZ Gender=1; Age=21; Years_Education=11; RAW_FILE_NAME=SZ07.mzML SUBJECT_SAMPLE_FACTORS - SZ08 Group:SZ Gender=1; Age=28; Years_Education=15; RAW_FILE_NAME=SZ08.mzML SUBJECT_SAMPLE_FACTORS - SZ09 Group:SZ Gender=1; Age=21; Years_Education=11; RAW_FILE_NAME=SZ09.mzML SUBJECT_SAMPLE_FACTORS - SZ10 Group:SZ Gender=1; Age=29; Years_Education=15; RAW_FILE_NAME=SZ10.mzML SUBJECT_SAMPLE_FACTORS - SZ11 Group:SZ Gender=1; Age=29; Years_Education=15; RAW_FILE_NAME=SZ11.mzML SUBJECT_SAMPLE_FACTORS - SZ12 Group:SZ Gender=2; Age=38; Years_Education=4; RAW_FILE_NAME=SZ12.mzML SUBJECT_SAMPLE_FACTORS - SZ13 Group:SZ Gender=1; Age=37; Years_Education=8; RAW_FILE_NAME=SZ13.mzML SUBJECT_SAMPLE_FACTORS - SZ14 Group:SZ Gender=1; Age=15; Years_Education=9; RAW_FILE_NAME=SZ14.mzML SUBJECT_SAMPLE_FACTORS - SZ15 Group:SZ Gender=2; Age=27; Years_Education=13; RAW_FILE_NAME=SZ15.mzML SUBJECT_SAMPLE_FACTORS - SZ16 Group:SZ Gender=1; Age=15; Years_Education=9; RAW_FILE_NAME=SZ16.mzML SUBJECT_SAMPLE_FACTORS - SZ17 Group:SZ Gender=2; Age=27; Years_Education=13; RAW_FILE_NAME=SZ17.mzML SUBJECT_SAMPLE_FACTORS - SZ18 Group:SZ Gender=1; Age=30; Years_Education=11; RAW_FILE_NAME=SZ18.mzML SUBJECT_SAMPLE_FACTORS - SZ19 Group:SZ Gender=2; Age=25; Years_Education=15; RAW_FILE_NAME=SZ19.mzML SUBJECT_SAMPLE_FACTORS - SZ20 Group:SZ Gender=2; Age=24; Years_Education=14; RAW_FILE_NAME=SZ20.mzML SUBJECT_SAMPLE_FACTORS - SZ21 Group:SZ Gender=2; Age=38; Years_Education=4; RAW_FILE_NAME=SZ21.mzML SUBJECT_SAMPLE_FACTORS - SZ22 Group:SZ Gender=2; Age=17; Years_Education=11; RAW_FILE_NAME=SZ22.mzML SUBJECT_SAMPLE_FACTORS - SZ23 Group:SZ Gender=2; Age=24; Years_Education=14; RAW_FILE_NAME=SZ23.mzML SUBJECT_SAMPLE_FACTORS - SZ24 Group:SZ Gender=1; Age=30; Years_Education=11; RAW_FILE_NAME=SZ24.mzML SUBJECT_SAMPLE_FACTORS - SZ25 Group:SZ Gender=2; Age=25; Years_Education=15; RAW_FILE_NAME=SZ25.mzML SUBJECT_SAMPLE_FACTORS - SZ26 Group:SZ Gender=2; Age=28; Years_Education=15; RAW_FILE_NAME=SZ26.mzML SUBJECT_SAMPLE_FACTORS - SZ27 Group:SZ Gender=2; Age=28; Years_Education=15; RAW_FILE_NAME=SZ27.mzML SUBJECT_SAMPLE_FACTORS - SZ28 Group:SZ Gender=1; Age=37; Years_Education=11; RAW_FILE_NAME=SZ28.mzML SUBJECT_SAMPLE_FACTORS - SZ29 Group:SZ Gender=2; Age=17; Years_Education=11; RAW_FILE_NAME=SZ29.mzML SUBJECT_SAMPLE_FACTORS - SZ30 Group:SZ Gender=1; Age=37; Years_Education=11; RAW_FILE_NAME=SZ30.mzML SUBJECT_SAMPLE_FACTORS - QC_1_2 Group:QC Gender=na; Age=na; Years_Education=na; RAW_FILE_NAME=QC_1_2.mzML SUBJECT_SAMPLE_FACTORS - QC_2 Group:QC Gender=na; Age=na; Years_Education=na; RAW_FILE_NAME=QC_2.mzML SUBJECT_SAMPLE_FACTORS - QC_2_2 Group:QC Gender=na; Age=na; Years_Education=na; RAW_FILE_NAME=QC_2_2.mzML SUBJECT_SAMPLE_FACTORS - QC_2_3 Group:QC Gender=na; Age=na; Years_Education=na; RAW_FILE_NAME=QC_2_3.mzML SUBJECT_SAMPLE_FACTORS - QC_2_4 Group:QC Gender=na; Age=na; Years_Education=na; RAW_FILE_NAME=QC_2_4.mzML SUBJECT_SAMPLE_FACTORS - QC_3 Group:QC Gender=na; Age=na; Years_Education=na; RAW_FILE_NAME=QC_3.mzML SUBJECT_SAMPLE_FACTORS - QC_4 Group:QC Gender=na; Age=na; Years_Education=na; RAW_FILE_NAME=QC_4.mzML SUBJECT_SAMPLE_FACTORS - QC_4_2 Group:QC Gender=na; Age=na; Years_Education=na; RAW_FILE_NAME=QC_4_2.mzML SUBJECT_SAMPLE_FACTORS - QC_4_3 Group:QC Gender=na; Age=na; Years_Education=na; RAW_FILE_NAME=QC_4_3.mzML SUBJECT_SAMPLE_FACTORS - QC_5 Group:QC Gender=na; Age=na; Years_Education=na; RAW_FILE_NAME=QC_5.mzML SUBJECT_SAMPLE_FACTORS - QC_5_2 Group:QC Gender=na; Age=na; Years_Education=na; RAW_FILE_NAME=QC_5_2.mzML SUBJECT_SAMPLE_FACTORS - QC_5_3 Group:QC Gender=na; Age=na; Years_Education=na; RAW_FILE_NAME=QC_5_3.mzML SUBJECT_SAMPLE_FACTORS - QC_5_4 Group:QC Gender=na; Age=na; Years_Education=na; RAW_FILE_NAME=QC_5_4.mzML #COLLECTION CO:COLLECTION_SUMMARY Blood samples of all subjects were collected in EDTA-coated tubes (BD CO:COLLECTION_SUMMARY Vacuntainer®, Becton Dickinson, Franklin Lakes, USA) for plasma metabolite CO:COLLECTION_SUMMARY determination after 8 hours of fasting. Samples were centrifuged at 20 °C at CO:COLLECTION_SUMMARY 1800 g for 15 minutes and were were stored at -80 ºC prior to lipid extraction. CO:SAMPLE_TYPE Blood (plasma) CO:STORAGE_CONDITIONS -80℃ #TREATMENT TR:TREATMENT_SUMMARY The study was conducted at the Institute of Psychiatry, University of Sao Paulo, TR:TREATMENT_SUMMARY Brazil. The sample consisted of 60 drug-naïve patients (30 SZ and 30 BD) and 30 TR:TREATMENT_SUMMARY healthy controls (CT). All participants were under 60 years old and were TR:TREATMENT_SUMMARY middle-income, community-dwelling subjects from the hospital catchment area. SZ TR:TREATMENT_SUMMARY diagnosis was established according to the Diagnostic and Statistical Manual of TR:TREATMENT_SUMMARY Mental Disorders (DSM-IV) (Bell, 1994) and SCID-I/P-Structured Clinical TR:TREATMENT_SUMMARY Interview Disorders Axis I for DSM-IV version 2.0 (First, 1997) was used to TR:TREATMENT_SUMMARY confirm the diagnosis. Psychopathology was assessed using the Positive and TR:TREATMENT_SUMMARY Negative Symptoms Scale (PANSS) (Kay et al., 1987) including the positive and TR:TREATMENT_SUMMARY negative subscales and general psychopathology. Depressive and manic symptoms TR:TREATMENT_SUMMARY were assessed for BD patients by the Hamilton Depression Rating Scale (HAM-D) TR:TREATMENT_SUMMARY (Hamilton, 1960) and Young's Mania Rating Scale (YMRS) (Young et al., 1978). TR:TREATMENT_SUMMARY Subjects with other psychiatric or neurological disorders were excluded. TR:TREATMENT_SUMMARY References cited: Bell, C.C. DSM-IV: Diagnostic and Statistical Manual of Mental TR:TREATMENT_SUMMARY Disorders. JAMA 1994, 272, 828–829. Spitzer, M.; Robert, L.; Gibbon, M.; TR:TREATMENT_SUMMARY Williams, J. Structured Clinical Interview for DSM-IV-TR Axis I Disorders, TR:TREATMENT_SUMMARY Research Version, Non-Patient Edition (SCID-I/NP). New York: Biometrics TR:TREATMENT_SUMMARY Research, New York State Psychiatric Institute 2002. Kay, S.R.; Fiszbein, A.; TR:TREATMENT_SUMMARY Opler, L.A. The Positive and Negative Syndrome Scale (PANSS) for Schizophrenia. TR:TREATMENT_SUMMARY Schizophr Bull 1987, 13, 261–276. Hamilton, M. A RATING SCALE FOR DEPRESSION. TR:TREATMENT_SUMMARY J Neurol Neurosurg Psychiatry 1960, 23, 56–62. TR:HUMAN_FASTING 8 h #SAMPLEPREP SP:SAMPLEPREP_SUMMARY Plasma lipids were extracted using the SIMPLEX method (Coman et al., 2016, DOI: SP:SAMPLEPREP_SUMMARY 10.1074/mcp.m115.053702). Briefly, the plasma samples were incubated with cold SP:SAMPLEPREP_SUMMARY methanol and MTBE, followed by the addition of a 0.1% (m/v) ammonium acetate SP:SAMPLEPREP_SUMMARY solution to induce phase separation. The supernatant con-taining lipids, was SP:SAMPLEPREP_SUMMARY collected and the solvents were removed with a vacuum concentrator (Eppendorf, SP:SAMPLEPREP_SUMMARY Hamburg, Germany). The microtubes with the extracted lipids were stored at -80 SP:SAMPLEPREP_SUMMARY ºC prior to UHPLC-MS analysis. SP:EXTRACTION_METHOD Simultaneous Metabolite, Protein, Lipid Extraction (SIMPLEX) SP:EXTRACT_STORAGE -80℃ #CHROMATOGRAPHY CH:CHROMATOGRAPHY_SUMMARY Ultra-high performance liquid chromatography coupled to mass spectrometry CH:CHROMATOGRAPHY_SUMMARY (UHPLC-MS) analyses were performed on an UltiMate 3000 UHPLC system (Thermo CH:CHROMATOGRAPHY_SUMMARY Fisher Scientific, Waltham, MA, USA) coupled to a QExactive Orbitrap mass CH:CHROMATOGRAPHY_SUMMARY spectrometer (Thermo Fisher Scientific). The chromatographic separation was done CH:CHROMATOGRAPHY_SUMMARY on an ACQUITY CSH C18 (2.1 ⨯ 100 mm, 1.7 μm) column (Waters, Milford, MA, CH:CHROMATOGRAPHY_SUMMARY USA) and the temperature of the column oven was set to 55 ºC. The mobile phase CH:CHROMATOGRAPHY_SUMMARY A consisted of an ACN:water mixture (60:40) with 1 mmol/L ammonium formate and CH:CHROMATOGRAPHY_SUMMARY 0.1% (v/v) formic acid, and the mobile phase B consisted of an IPA:ACN mixture CH:CHROMATOGRAPHY_SUMMARY (90:10) with 1 mmol/L ammonium formate and 0.1% (v/v) formic acid. The flow rate CH:CHROMATOGRAPHY_SUMMARY was 0.4 mL/min and the injection volume was 5 μL for each sample. The gradient CH:CHROMATOGRAPHY_SUMMARY elution program consisted of a first linear gradient from solvent (A/B: 60/40) CH:CHROMATOGRAPHY_SUMMARY to solvent (A/B: 57/43) over 2 min; a rapid increase to solvent (A/B: 50/50); a CH:CHROMATOGRAPHY_SUMMARY second linear gradient to solvent (A/B: 46/54) over 10 min; a rapid increase to CH:CHROMATOGRAPHY_SUMMARY solvent (A/B: 30/70); a third linear gradient to solvent (A/B: 1/99) over 6 min; CH:CHROMATOGRAPHY_SUMMARY a rapid de-crease to solvent (A/B: 60/40); and finally, an isocratic elution of CH:CHROMATOGRAPHY_SUMMARY the solvent (A/B: 60/40) for 2 min. The column was equilibrated with solvent CH:CHROMATOGRAPHY_SUMMARY (A/B: 60/40) for 5 min before reuse. The total run time was 25 min for each CH:CHROMATOGRAPHY_SUMMARY analysis. Samples were randomized prior to analysis. To verify system stability, CH:CHROMATOGRAPHY_SUMMARY quality control (QC) samples were injected at the start and at the end of a run CH:CHROMATOGRAPHY_SUMMARY and after every 10th sample. CH:CHROMATOGRAPHY_TYPE Reversed phase CH:INSTRUMENT_NAME UltiMate 3000 UHPLC system (Thermo Fisher Scientific) CH:COLUMN_NAME ACQUITY CSH C18 (2.1 ⨯ 100 mm, 1.7 μm) column (Waters) CH:SOLVENT_A 60% acetonitrile/40% water; 1 mM ammonium formate; 0.1% formic acid CH:SOLVENT_B 90% isopropanol/10% acetonitrile; 1mM ammonium formate; 0.1% formic acid CH:FLOW_GRADIENT Gradient elution program (view Summary) CH:FLOW_RATE 0.4 mL/min CH:COLUMN_TEMPERATURE 55 CH:SAMPLE_INJECTION 5 μL #ANALYSIS AN:ANALYSIS_TYPE MS #MS MS:INSTRUMENT_NAME Thermo Q Exactive Orbitrap MS:INSTRUMENT_TYPE Orbitrap MS:MS_TYPE ESI MS:ION_MODE NEGATIVE MS:MS_COMMENTS MS scans were acquired in electrospray ionization (ESI) negative mode from m/z MS:MS_COMMENTS 100 to 1500 with a resolution of 70,000. MS target values and maximum injection MS:MS_COMMENTS time were 3 ⨯ 106 ions and 200 ms, respectively. The .raw files were converted MS:MS_COMMENTS to .mzML with the MSConvert software (ProteoWizard, Palo Alto, CA, USA). Using MS:MS_COMMENTS RStudio (RStudio, Boston, MA, USA), the parameters for data processing with the MS:MS_COMMENTS ‘xcms’ package were optimized with the ‘IPO’ package based on QC MS:MS_COMMENTS samples. With the optimized parameters, all the files were processed with MS:MS_COMMENTS ‘xcms’ and, afterwards, the data were organized in a peak list with the MS:MS_COMMENTS ‘CAMERA’ package, followed by the median fold change normalization. MS:MS_RESULTS_FILE ST002554_AN004205_Results.txt UNITS:Intensity Has m/z:Yes Has RT:Yes RT units:Seconds #END