#METABOLOMICS WORKBENCH jaredmayers_20240426_133747 DATATRACK_ID:4794 STUDY_ID:ST003186 ANALYSIS_ID:AN005234 PROJECT_ID:PR001807 VERSION 1 CREATED_ON April 29, 2024, 12:00 pm #PROJECT PR:PROJECT_TITLE A metabolomics pipeline highlights microbial metabolism in bloodstream PR:PROJECT_TITLE infections - untargeted metabolomics on mouse model of cecal slurry (CS) PR:PROJECT_SUMMARY untargeted metabolomics on plasma from male B6 mice 24hrs after IP injection of PR:PROJECT_SUMMARY PBS, heat killed cecal slurry, or live cecal slurry PR:INSTITUTE Harvard University PR:LAST_NAME Mayers PR:FIRST_NAME Jared PR:ADDRESS 12 Oxford St Conant 200S, Cambridge, MA, 02138, USA PR:EMAIL jrmayers@gmail.com PR:PHONE 4259417747 #STUDY ST:STUDY_TITLE CS Large Group ST:STUDY_SUMMARY untargeted metabolomics on plasma from male B6 mice 24hrs after IP injection of ST:STUDY_SUMMARY PBS, heat killed cecal slurry, or live cecal slurry ST:INSTITUTE Harvard University ST:LAST_NAME Mayers ST:FIRST_NAME Jared ST:ADDRESS 12 Oxford St Conant 200S Cambridge, MA 02138 ST:EMAIL jrmayers@gmail.com ST:PHONE 4259417747 #SUBJECT SU:SUBJECT_TYPE Mammal SU:SUBJECT_SPECIES Mus musculus SU:TAXONOMY_ID 10090 #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 - 24hr_1 Factor:Control | Sample source:Plasma RAW_FILE_NAME(File Name)=24hr_1 SUBJECT_SAMPLE_FACTORS - 24hr_2 Factor:Heat Killed | Sample source:Plasma RAW_FILE_NAME(File Name)=24hr_2 SUBJECT_SAMPLE_FACTORS - 24hr_3 Factor:Live | Sample source:Plasma RAW_FILE_NAME(File Name)=24hr_3 SUBJECT_SAMPLE_FACTORS - 24hr_4 Factor:Control | Sample source:Plasma RAW_FILE_NAME(File Name)=24hr_4 SUBJECT_SAMPLE_FACTORS - 24hr_5 Factor:Heat Killed | Sample source:Plasma RAW_FILE_NAME(File Name)=24hr_5 SUBJECT_SAMPLE_FACTORS - 24hr_6 Factor:Live | Sample source:Plasma RAW_FILE_NAME(File Name)=24hr_6 SUBJECT_SAMPLE_FACTORS - 24hr_7 Factor:Control | Sample source:Plasma RAW_FILE_NAME(File Name)=24hr_7 SUBJECT_SAMPLE_FACTORS - 24hr_8 Factor:Heat Killed | Sample source:Plasma RAW_FILE_NAME(File Name)=24hr_8 SUBJECT_SAMPLE_FACTORS - 24hr_10 Factor:Control | Sample source:Plasma RAW_FILE_NAME(File Name)=24hr_10 SUBJECT_SAMPLE_FACTORS - 24hr_11 Factor:Heat Killed | Sample source:Plasma RAW_FILE_NAME(File Name)=24hr_11 SUBJECT_SAMPLE_FACTORS - 24hr_12 Factor:Live | Sample source:Plasma RAW_FILE_NAME(File Name)=24hr_12 SUBJECT_SAMPLE_FACTORS - 24hr_13 Factor:Control | Sample source:Plasma RAW_FILE_NAME(File Name)=24hr_13 SUBJECT_SAMPLE_FACTORS - 24hr_14 Factor:Heat Killed | Sample source:Plasma RAW_FILE_NAME(File Name)=24hr_14 SUBJECT_SAMPLE_FACTORS - 24hr_16 Factor:Control | Sample source:Plasma RAW_FILE_NAME(File Name)=24hr_16 SUBJECT_SAMPLE_FACTORS - 24hr_17 Factor:Heat Killed | Sample source:Plasma RAW_FILE_NAME(File Name)=24hr_17 SUBJECT_SAMPLE_FACTORS - 24hr_19 Factor:Control | Sample source:Plasma RAW_FILE_NAME(File Name)=24hr_19 SUBJECT_SAMPLE_FACTORS - 24hr_22 Factor:Control | Sample source:Plasma RAW_FILE_NAME(File Name)=24hr_22 SUBJECT_SAMPLE_FACTORS - 24hr_23 Factor:Heat Killed | Sample source:Plasma RAW_FILE_NAME(File Name)=24hr_23 SUBJECT_SAMPLE_FACTORS - 24hr_24 Factor:Live | Sample source:Plasma RAW_FILE_NAME(File Name)=24hr_24 #COLLECTION CO:COLLECTION_SUMMARY Plasma samples from terminal bleed via cardiac puncture under anesthesia CO:SAMPLE_TYPE Blood (plasma) #TREATMENT TR:TREATMENT_SUMMARY IP injection with either PBS, heat killed cecal slurry or live cecal slurry TR:TREATMENT_SUMMARY 24hrs prior to blood draw #SAMPLEPREP SP:SAMPLEPREP_SUMMARY 1 part plasma with 9 parts 75:25:0.2 ACN:MetOH:Formic Acid with internal val-d8 SP:SAMPLEPREP_SUMMARY and phe-d8 standards; vortexed, centrifuged, supernatant removed and run on SP:SAMPLEPREP_SUMMARY LC-MS #CHROMATOGRAPHY CH:CHROMATOGRAPHY_TYPE HILIC CH:INSTRUMENT_NAME Agilent 1260 Infinity HPLC CH:COLUMN_NAME Waters Atlantis HILIC (150 x 2.1mm,3um) CH:SOLVENT_A 100% water; 0.1% formic acid CH:SOLVENT_B 100% acetonitrile; 0.1% formic acid CH:FLOW_GRADIENT 0.5 minute at 5% mobile phase B followed by a linear gradient to 40% mobile CH:FLOW_GRADIENT phase B over 10 minutes CH:FLOW_RATE 250 μL/min CH:COLUMN_TEMPERATURE 30 #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:MS_COMMENTS Raw data from the LC–MS were analyzed using Agilent MassHunter Qualitative MS:MS_COMMENTS Analysis 10.0 software. MS:MS_RESULTS_FILE ST003186_AN005234_Results.txt UNITS:ion counts Has m/z:Yes Has RT:Yes RT units:Minutes #END