#METABOLOMICS WORKBENCH mahpic_infodepo_20170323_081418 DATATRACK_ID:866 STUDY_ID:ST000599 ANALYSIS_ID:AN000918 PROJECT_ID:PR000384 VERSION 1 CREATED_ON May 5, 2017, 4:57 pm #PROJECT PR:PROJECT_TITLE The Malaria Host-Pathogen Interaction Center (MaHPIC) PR:PROJECT_TYPE Systems Biology PR:PROJECT_SUMMARY The Malaria Host-Pathogen Interaction Center (MaHPIC) is a transdisciplinary PR:PROJECT_SUMMARY malaria systems biology research program supported by an NIH/NIAID contract (# PR:PROJECT_SUMMARY HHSN272201200031C; see http://www.systemsbiology.emory.edu). The MaHPIC PR:PROJECT_SUMMARY generates many data types (e.g., clinical, parasitological, metabolomics, PR:PROJECT_SUMMARY functional genomics, lipidomics, proteomics, immune response) and mathematical PR:PROJECT_SUMMARY models, to iteratively test and develop hypotheses related to the complex PR:PROJECT_SUMMARY host-parasite dynamics in the course of malaria in non-human primates, and PR:PROJECT_SUMMARY metabolomics data via collaborations with investigators conducting clinical PR:PROJECT_SUMMARY studies in malaria endemic countries, with the overarching goal of better PR:PROJECT_SUMMARY understanding human disease, pathogenesis, and immunity. Curation and PR:PROJECT_SUMMARY maintenance of all data and metadata are the responsibility of the MaHPIC. PR:INSTITUTE Emory University PR:DEPARTMENT School of Medicine, Vaccine Center at Yerkes PR:LAST_NAME Galinski PR:FIRST_NAME Mary PR:ADDRESS Emory University, 954 Gatewood Rd, Room 208, Atlanta, GA 30329 PR:EMAIL mahpic@emory.edu PR:PHONE N/A PR:FUNDING_SOURCE NIAID Contract: # HHSN272201200031C #STUDY ST:STUDY_TITLE Metabolomics measures of Macaca mulatta infected with Plasmodium coatneyi ST:STUDY_TITLE Hackeri strain to produce and integrate clinical, hematological, ST:STUDY_TITLE parasitological, and omics measures of acute, recrudescent, and chronic ST:STUDY_TITLE infections. ST:STUDY_TYPE Longitudinal parasite infection and treatment of multiple individuals ST:STUDY_SUMMARY Malaria-naive male rhesus macaques (Macaca mulatta), approximately four years of ST:STUDY_SUMMARY age, were inoculated intravenously with salivary gland sporozoites produced and ST:STUDY_SUMMARY isolated at the Centers for Disease Control and Prevention from multiple ST:STUDY_SUMMARY Anopheles species (An. dirus, An. gambiae, and An. stephensi) and then profiled ST:STUDY_SUMMARY for clinical, hematological, parasitological, immunological, functional genomic, ST:STUDY_SUMMARY lipidomic, proteomic, and metabolomic measurements. The experiment was designed ST:STUDY_SUMMARY for 100 days, and pre- and post-100 day periods to prepare subjects and ST:STUDY_SUMMARY administer curative treatments respectively. The anti-malarial drug artemether ST:STUDY_SUMMARY was subcuratively administered to all subjects at the initial peak of infection, ST:STUDY_SUMMARY one out of the five macaques received four additional subcurative treatments for ST:STUDY_SUMMARY subsequent recrudescence peaks. The experimental infection in one subject was ST:STUDY_SUMMARY ineffective but the macaque was followed-up for the same period of 100 days. The ST:STUDY_SUMMARY different clinical phases of the infection were clinically determined for each ST:STUDY_SUMMARY subject. Blood-stage curative doses of artemether were administered to all ST:STUDY_SUMMARY subjects at the end of the study. Capillary blood samples were collected daily ST:STUDY_SUMMARY for the measurement of CBCs, reticulocytes, and parasitemias. Capillary blood ST:STUDY_SUMMARY samples were collected every other day to obtain plasma for metabolomic ST:STUDY_SUMMARY analysis. Venous blood and bone marrow samples were collected at seven time ST:STUDY_SUMMARY points for functional genomic, proteomic, lipidomic, and immunological analyses. ST:STUDY_SUMMARY Within the MaHPIC, this project is known as ‘Experiment 03’. This dataset ST:STUDY_SUMMARY was produced by Dean Jones at Emory University. The experimental design and ST:STUDY_SUMMARY protocols for this study were approved by the Emory University Institutional ST:STUDY_SUMMARY Animal Care and Use Committee (IACUC). ST:INSTITUTE Emory University ST:DEPARTMENT School of Medicine, Vaccine Center at Yerkes ST:LAST_NAME Galinski ST:FIRST_NAME Mary ST:ADDRESS Emory University, Yerkes National Primate Research Center, 954 Gatewood Rd, Room ST:ADDRESS 003, Atlanta, GA 30329 ST:EMAIL mahpic@emory.edu ST:PHONE N/A ST:NUM_GROUPS 6 ST:TOTAL_SUBJECTS 331 ST:STUDY_COMMENTS The experimental design and protocols for this study were approved by the ST:STUDY_COMMENTS Emory University Institutional Animal Care and Use Committee (IACUC). These ST:STUDY_COMMENTS results are a product of a consortium of researchers known as the Malaria Host ST:STUDY_COMMENTS Pathogen Interaction Center (MaHPIC). Contributors include: Monica Cabrera, ST:STUDY_COMMENTS Jeremy D. DeBarry, Mary G. Galinski, Jay Humphrey, Dean Jones, Ebru Karpuzoglu, ST:STUDY_COMMENTS Jessica C. Kissinger, Regina Joice, Esmeralda Meyer, Vishal Nayak, Mustafa ST:STUDY_COMMENTS Nural, Suman Pakala, ViLinh Tran, Karan Uppal, Loukia Williams. For more ST:STUDY_COMMENTS information on the MaHPIC, please visit http://www.systemsbiology.emory.edu/ . ST:STUDY_COMMENTS Within the MaHPIC, these data were collected as part of 'Experiment 03' (E03). ST:STUDY_COMMENTS To access other publicly available results from E03 and other MaHPIC ST:STUDY_COMMENTS Experiments, including clinical results (specifics on drugs administered, diet, ST:STUDY_COMMENTS and veterinary interventions), and other omics, visit ST:STUDY_COMMENTS http://plasmodb.org/plasmo/mahpic.jsp . This page will be updated as datasets ST:STUDY_COMMENTS are released to the public. #SUBJECT SU:SUBJECT_TYPE Animal SU:SUBJECT_SPECIES Macaca mulatta SU:TAXONOMY_ID 9544 SU:WEIGHT_OR_WEIGHT_RANGE NA|6.94kg|9.04kg|8.03kg|8.83kg|8.68kg SU:GENDER Male|Male|Male|Male|Male|Male SU:ANIMAL_ANIMAL_SUPPLIER Yerkes Field Station|Yerkes Field Station|Yerkes Primate Research Center|Yerkes SU:ANIMAL_ANIMAL_SUPPLIER Primate Research Center||Yerkes Primate Research Center SU:ANIMAL_HOUSING Metallic|Metallic|Metallic|Metallic|Metallic|Metallic SU:ANIMAL_LIGHT_CYCLE 12/12|12/12|12/12|12/12|12/12|12/12 SU:ANIMAL_FEED Monkey Jumbo Diet 5037 and 5038|Monkey Jumbo Diet 5037 and 5038|Monkey Jumbo SU:ANIMAL_FEED Diet 5037 and 5038|Monkey Jumbo Diet 5037 and 5038|Monkey Jumbo Diet 5037 and SU:ANIMAL_FEED 5038|Monkey Jumbo Diet 5037 and 5038 SU:ANIMAL_WATER tap in bottle|tap in bottle|tap in bottle|tap in bottle|tap in bottle|tap in SU:ANIMAL_WATER bottle SU:ANIMAL_INCLUSION_CRITERIA 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Point 7 SUBJECT_SAMPLE_FACTORS RZe13 2206600 Gender:Male | Prior Infection:None | Days since Inoculation:100 | Collection Type:Every Other Day SUBJECT_SAMPLE_FACTORS N/A 9991200104 Gender:N/A | Prior Infection:N/A | Days since Inoculation:N/A | Collection Type:QC Sample, in-lab prepared SUBJECT_SAMPLE_FACTORS N/A 9991200129 Gender:N/A | Prior Infection:N/A | Days since Inoculation:N/A | Collection Type:QC Sample, in-lab prepared SUBJECT_SAMPLE_FACTORS N/A 9991100044 Gender:N/A | Prior Infection:N/A | Days since Inoculation:N/A | Collection Type:QC Sample, from NIST SUBJECT_SAMPLE_FACTORS N/A 9991200122 Gender:N/A | Prior Infection:N/A | Days since Inoculation:N/A | Collection Type:QC Sample, in-lab prepared SUBJECT_SAMPLE_FACTORS N/A 9991200107 Gender:N/A | Prior Infection:N/A | Days since Inoculation:N/A | Collection Type:QC Sample, in-lab prepared SUBJECT_SAMPLE_FACTORS N/A 9991200111 Gender:N/A | Prior Infection:N/A | Days since Inoculation:N/A | Collection Type:QC Sample, in-lab prepared SUBJECT_SAMPLE_FACTORS N/A 9991200109 Gender:N/A | Prior Infection:N/A | Days since Inoculation:N/A | Collection Type:QC Sample, in-lab prepared SUBJECT_SAMPLE_FACTORS N/A 9991200128 Gender:N/A | Prior Infection:N/A | Days since Inoculation:N/A | Collection Type:QC Sample, in-lab prepared SUBJECT_SAMPLE_FACTORS N/A 9991200095 Gender:N/A | Prior Infection:N/A | Days since Inoculation:N/A | Collection Type:QC Sample, in-lab prepared SUBJECT_SAMPLE_FACTORS N/A 9991200099 Gender:N/A | Prior Infection:N/A | Days since Inoculation:N/A | Collection Type:QC Sample, in-lab prepared SUBJECT_SAMPLE_FACTORS N/A 9991200091 Gender:N/A | Prior Infection:N/A | Days since Inoculation:N/A | Collection Type:QC Sample, in-lab prepared SUBJECT_SAMPLE_FACTORS N/A 9991200132 Gender:N/A | Prior Infection:N/A | Days since Inoculation:N/A | Collection Type:QC Sample, in-lab prepared SUBJECT_SAMPLE_FACTORS N/A 9991200118 Gender:N/A | Prior Infection:N/A | Days since Inoculation:N/A | Collection Type:QC Sample, in-lab prepared SUBJECT_SAMPLE_FACTORS N/A 9991200120 Gender:N/A | Prior Infection:N/A | Days since Inoculation:N/A | Collection Type:QC Sample, in-lab prepared SUBJECT_SAMPLE_FACTORS N/A 9991200085 Gender:N/A | Prior Infection:N/A | Days since Inoculation:N/A | Collection Type:QC Sample, in-lab prepared SUBJECT_SAMPLE_FACTORS N/A 9991200083 Gender:N/A | Prior Infection:N/A | Days since Inoculation:N/A | Collection Type:QC Sample, in-lab prepared SUBJECT_SAMPLE_FACTORS N/A 9991100041 Gender:N/A | Prior Infection:N/A | Days since Inoculation:N/A | Collection Type:QC Sample, from NIST SUBJECT_SAMPLE_FACTORS N/A 9991200093 Gender:N/A | Prior Infection:N/A | Days since Inoculation:N/A | Collection Type:QC Sample, in-lab prepared SUBJECT_SAMPLE_FACTORS N/A 9991200102 Gender:N/A | Prior Infection:N/A | Days since Inoculation:N/A | Collection Type:QC Sample, in-lab prepared SUBJECT_SAMPLE_FACTORS N/A 9991200116 Gender:N/A | Prior Infection:N/A | Days since Inoculation:N/A | Collection Type:QC Sample, in-lab prepared SUBJECT_SAMPLE_FACTORS N/A 9991200125 Gender:N/A | Prior Infection:N/A | Days since Inoculation:N/A | Collection Type:QC Sample, in-lab prepared SUBJECT_SAMPLE_FACTORS N/A 9991200119 Gender:N/A | Prior Infection:N/A | Days since Inoculation:N/A | Collection Type:QC Sample, in-lab prepared SUBJECT_SAMPLE_FACTORS N/A 9991200127 Gender:N/A | Prior Infection:N/A | Days since Inoculation:N/A | Collection Type:QC Sample, in-lab prepared SUBJECT_SAMPLE_FACTORS N/A 9991200115 Gender:N/A | Prior Infection:N/A | Days since Inoculation:N/A | Collection Type:QC Sample, in-lab prepared SUBJECT_SAMPLE_FACTORS N/A 9991200105 Gender:N/A | Prior Infection:N/A | Days since Inoculation:N/A | Collection Type:QC Sample, in-lab prepared SUBJECT_SAMPLE_FACTORS N/A 9991200100 Gender:N/A | Prior Infection:N/A | Days since Inoculation:N/A | Collection Type:QC Sample, in-lab prepared SUBJECT_SAMPLE_FACTORS N/A 9991200081 Gender:N/A | Prior Infection:N/A | Days since Inoculation:N/A | Collection Type:QC Sample, in-lab prepared SUBJECT_SAMPLE_FACTORS N/A 9991200090 Gender:N/A | Prior Infection:N/A | Days since Inoculation:N/A | Collection Type:QC Sample, in-lab prepared SUBJECT_SAMPLE_FACTORS N/A 9991200086 Gender:N/A | Prior Infection:N/A | Days since Inoculation:N/A | Collection Type:QC Sample, in-lab prepared SUBJECT_SAMPLE_FACTORS N/A 9991200123 Gender:N/A | Prior Infection:N/A | Days since Inoculation:N/A | Collection Type:QC Sample, in-lab prepared SUBJECT_SAMPLE_FACTORS N/A 9991200124 Gender:N/A | Prior Infection:N/A | Days since Inoculation:N/A | Collection Type:QC Sample, in-lab prepared SUBJECT_SAMPLE_FACTORS N/A 9991200114 Gender:N/A | Prior Infection:N/A | Days since Inoculation:N/A | Collection Type:QC Sample, in-lab prepared SUBJECT_SAMPLE_FACTORS N/A 9991200103 Gender:N/A | Prior Infection:N/A | Days since Inoculation:N/A | Collection Type:QC Sample, in-lab prepared SUBJECT_SAMPLE_FACTORS N/A 9991200084 Gender:N/A | Prior 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| Prior Infection:N/A | Days since Inoculation:N/A | Collection Type:QC Sample, in-lab prepared SUBJECT_SAMPLE_FACTORS N/A 9991200121 Gender:N/A | Prior Infection:N/A | Days since Inoculation:N/A | Collection Type:QC Sample, in-lab prepared SUBJECT_SAMPLE_FACTORS N/A 9991200089 Gender:N/A | Prior Infection:N/A | Days since Inoculation:N/A | Collection Type:QC Sample, in-lab prepared SUBJECT_SAMPLE_FACTORS N/A 9991200097 Gender:N/A | Prior Infection:N/A | Days since Inoculation:N/A | Collection Type:QC Sample, in-lab prepared SUBJECT_SAMPLE_FACTORS N/A 9991100042 Gender:N/A | Prior Infection:N/A | Days since Inoculation:N/A | Collection Type:QC Sample, from NIST SUBJECT_SAMPLE_FACTORS N/A 9991200094 Gender:N/A | Prior Infection:N/A | Days since Inoculation:N/A | Collection Type:QC Sample, in-lab prepared SUBJECT_SAMPLE_FACTORS N/A 9991200110 Gender:N/A | Prior Infection:N/A | Days since Inoculation:N/A | Collection Type:QC Sample, in-lab prepared SUBJECT_SAMPLE_FACTORS N/A 9991200112 Gender:N/A | Prior Infection:N/A | Days since Inoculation:N/A | Collection Type:QC Sample, in-lab prepared SUBJECT_SAMPLE_FACTORS N/A 9991200108 Gender:N/A | Prior Infection:N/A | Days since Inoculation:N/A | Collection Type:QC Sample, in-lab prepared SUBJECT_SAMPLE_FACTORS N/A 9991200130 Gender:N/A | Prior Infection:N/A | Days since Inoculation:N/A | Collection Type:QC Sample, in-lab prepared SUBJECT_SAMPLE_FACTORS N/A 9991200101 Gender:N/A | Prior Infection:N/A | Days since Inoculation:N/A | Collection Type:QC Sample, in-lab prepared SUBJECT_SAMPLE_FACTORS N/A 9991200092 Gender:N/A | Prior Infection:N/A | Days since Inoculation:N/A | Collection Type:QC Sample, in-lab prepared SUBJECT_SAMPLE_FACTORS N/A 9991200106 Gender:N/A | Prior Infection:N/A | Days since Inoculation:N/A | Collection Type:QC Sample, in-lab prepared SUBJECT_SAMPLE_FACTORS N/A 9991200098 Gender:N/A | Prior Infection:N/A | Days since Inoculation:N/A | Collection Type:QC Sample, in-lab prepared SUBJECT_SAMPLE_FACTORS N/A 9991200117 Gender:N/A | Prior Infection:N/A | Days since Inoculation:N/A | Collection Type:QC Sample, in-lab prepared SUBJECT_SAMPLE_FACTORS N/A 9991200087 Gender:N/A | Prior Infection:N/A | Days since Inoculation:N/A | Collection Type:QC Sample, in-lab prepared #COLLECTION CO:COLLECTION_SUMMARY Every Other Day Collection | Time Point 1 Baseline: Uninfected control for each CO:COLLECTION_SUMMARY Non-Human Primate (NHP). | Time Point 2 Peak of infection: Peak of infection CO:COLLECTION_SUMMARY determined by clinical and parasitological assessment for each NHP. The time CO:COLLECTION_SUMMARY point is intended to characterize the host immune response and capture CO:COLLECTION_SUMMARY multi-omics data during the peak of parasitemias when the NHP is experiencing CO:COLLECTION_SUMMARY clinical signs of disease that are commonly severe in P. coatneyi infections. CO:COLLECTION_SUMMARY NHPs were monitored based on clinical and hematological parameters, and clinical CO:COLLECTION_SUMMARY interventions with artemether were performed as necessary. | Time Point 3 CO:COLLECTION_SUMMARY Post-peak: Observations 7 days after peak infection and sub-curative treatment. CO:COLLECTION_SUMMARY | Time Point 4 Recrudescence Peak: This time point tested expectations of a drop CO:COLLECTION_SUMMARY in hemoglobin levels and increase in parasitemias due to recrudescence from a CO:COLLECTION_SUMMARY chronic infection. After sample collection, NHPs received sub-curative treatment CO:COLLECTION_SUMMARY with artemether based on clinical and hematological parameters. | Time Point 5 CO:COLLECTION_SUMMARY Post-peak: Chronic infection with low levels of persistent parasitemia that may CO:COLLECTION_SUMMARY be below detectable levels. | Time Point 6 Recrudescence Peak: Same goal as time CO:COLLECTION_SUMMARY point 4 for 2nd second recrudescence peak. | Time Point 7 Post-peak: CO:COLLECTION_SUMMARY Observations of NHP response after a second recrudescence in a chronic phase CO:COLLECTION_SUMMARY with low levels of persistent parasitemia. CO:SAMPLE_TYPE Whole blood|Whole blood|Whole blood|Whole blood|Whole blood|Whole blood|Whole CO:SAMPLE_TYPE blood|Whole blood CO:COLLECTION_METHOD Ear CO:COLLECTION_METHOD Prick|Intravenous|Intravenous|Intravenous|Intravenous|Intravenous|Intravenous|Intravenous CO:COLLECTION_FREQUENCY Every Other Day|Once|Once|Once|Once|Once|Once|Once CO:BLOOD_SERUM_OR_PLASMA Plasma|Plasma|Plasma|Plasma|Plasma|Plasma|Plasma|Plasma #TREATMENT TR:TREATMENT_SUMMARY Plasmodium Coatneyi Hackeri Strain Sporozoites Inoculation TR:TREATMENT Biotic TR:TREATMENT_ROUTE Injection #SAMPLEPREP SP:SAMPLEPREP_SUMMARY aliquots of 30ul sample were mixed with 100ul acetonitrile and 2.5ul internal SP:SAMPLEPREP_SUMMARY standard. Keep on ice for 30 minutes and vortex every 15 minutes. Centrifuge for SP:SAMPLEPREP_SUMMARY 10 minutes at 13.2rpm and 4C. Using a pipette, 100ul of supernatant was removed SP:SAMPLEPREP_SUMMARY and placed into autosampler vials for the mass spectrometer. SP:SAMPLEPREP_PROTOCOL_FILENAME E03_MB_Sample_Preparations_Plasma_serum_HFQE_V1_3282016.docx, SP:SAMPLEPREP_PROTOCOL_FILENAME E4_E3_E18_E23_E24_E25_MalariaCore_Metabolomics SOP_v1_6October2016.docx SP:PROCESSING_METHOD Precipitation of protein, centrifuge, and remove supernatant SP:PROCESSING_STORAGE_CONDITIONS On ice SP:EXTRACTION_METHOD 1:2 sample:acetonitrile SP:EXTRACT_STORAGE Pipette supernatant into autosampler vials for mass spectrometer SP:SAMPLE_SPIKING C18 Standards: Caffeine, Diethyl-toluamide. Internal Standards/Stable Isotopes: SP:SAMPLE_SPIKING [13C6]-D-glucose, [15N]-indole, [15N,13C5]-L-methionine, [2-15N]-L-lysine SP:SAMPLE_SPIKING dihydrochloride, [13C5]-L-glutamic acid, [15N]-L-tyrosine, [15N2]-uracil, SP:SAMPLE_SPIKING [3,3-13C2]-cystine, [trimethyl-13C3]-caffeine, [U-13C5, U-15N2]-L-glutamine #CHROMATOGRAPHY CH:CHROMATOGRAPHY_SUMMARY C18 120k resolution method with C18 positive and negative wash CH:CHROMATOGRAPHY_TYPE Reversed phase MS:INSTRUMENT_NAME Thermo Q Exactive Orbitrap CH:COLUMN_NAME Thermo Accucore C18 (100 x 2.1mm, 2.6um) CH:FLOW_GRADIENT A: 0-2mins = 80%, 2-7mins = gradient to 0%, 7-10mins = 0%. B: 0-2mins = 15%, CH:FLOW_GRADIENT 2-7mins = gradient to 95%, 7-10mins = 95%. C: 0-10mins = 5% CH:FLOW_RATE 350μL/min CH:COLUMN_TEMPERATURE 30 CH:METHODS_FILENAME E3_MB_HFQE Setup_V1_3282016.docx CH:SOLVENT_A LCMS H20 CH:SOLVENT_B LCMS Acetonitrile CH:COLUMN_PRESSURE 200 Bar (max) CH:INTERNAL_STANDARD Cystine; cysteine-glutathione disulfide; carboxymethyl-cysteine (very low); CH:INTERNAL_STANDARD glutathione disulfide (+1 and +2); carboxymethyl-glutathione CH:INTERNAL_STANDARD_MT 1.5 min, 6-6.6 min CH:SAMPLE_INJECTION 10μL CH:SAMPLING_CONE HESI probe with S-lens combination for ESI CH:ANALYTICAL_TIME 10 minutes CH:CAPILLARY_VOLTAGE 4.6 kV CH:OVEN_TEMPERATURE 45C CH:WEAK_WASH_SOLVENT_NAME H20 with 10% methanol CH:SAMPLE_SYRINGE_SIZE 20μL #ANALYSIS AN:ANALYSIS_TYPE MS AN:LABORATORY_NAME Clinical Biomarkers Laboratory, Emory University AN:OPERATOR_NAME ViLinh Tran and Karan Uppal AN:DETECTOR_TYPE Orbitrap AN:SOFTWARE_VERSION Thermo Excalibur 2.2 SP1 AN:ACQUISITION_DATE 4/17/15-5/1/15 AN:DATA_FORMAT .raw, .cdf #MS MS:MS_COMMENTS - MS:INSTRUMENT_NAME Thermo Q Exactive Orbitrap MS:INSTRUMENT_TYPE Orbitrap MS:MS_TYPE ESI MS:ION_MODE NEGATIVE MS:CAPILLARY_TEMPERATURE 300 MS:CAPILLARY_VOLTAGE 4.45 MS:COLLISION_GAS N2 MS:GAS_PRESSURE 50 psi MS:IONIZATION electrospray ionization MS:MASS_ACCURACY 5ppm MS:SOURCE_TEMPERATURE 48 MS:SPRAY_VOLTAGE 3.5 MS:ATOM_GUN_CURRENT 1000000 MS:DATAFORMAT .raw, .cdf MS:PROBE_TIP HESI MS:RESOLUTION_SETTING 120000 MS:SCAN_RANGE_MOVERZ 85-1275 MS:MS_RESULTS_FILE ST000599_AN000918_Results.txt UNITS:Ion Intensity #END