{ "METABOLOMICS WORKBENCH":{"STUDY_ID":"ST001234","ANALYSIS_ID":"AN002052","VERSION":"1","CREATED_ON":"August 12, 2019, 9:57 am"}, "PROJECT":{"PROJECT_TITLE":"The effect of weaning stress, sex and temperament on fecal microbiota and serum metabolites in Brahman calves.","PROJECT_SUMMARY":"The objective of this study was to conduct a cross-sectional study to 1) investigate the effect of weaning on the fecal microbiota and serum metabolites in Bos indicus (Brahman) calves, and 2) compare the fecal microbiota and serum metabolites between males (bulls) and females (heifers) as well as between calm and temperamental animals at weaning (d0) and 4 days post weaning (d4). Equal numbers of animals were present in each category (5 calm female, 5 temperamental female, 5 calm male, and 5 temperamental male animals).","INSTITUTE":"Texas A&M University","LAST_NAME":"Lawhon","FIRST_NAME":"Sara","ADDRESS":"MS4467, College of Veterinary Medicine, College Station, TX 77843-4467","EMAIL":"slawhon@tamu.edu","PHONE":"979-218-7156","FUNDING_SOURCE":"USDA Formula Animal Health 1433 Program TEXO9584 Funds"}, "STUDY":{"STUDY_TITLE":"The effect of weaning stress, sex and temperament on fecal microbiota and metabolites in Brahman calves.","STUDY_SUMMARY":"The objective of this study was to conduct a cross-sectional study to 1) investigate the effect of weaning on the fecal microbiota as well as serum metabolites in Bos indicus (Brahman) calves, and 2) compare the fecal microbiota as well as serum metabolites between males (bulls) and females (heifers) as well as between calm and temperamental animals at weaning (d0) and 4 days post weaning (d4). Equal numbers of animals were present in each category (5 calm female, 5 temperamental female, 5 calm male, and 5 temperamental male animals).","INSTITUTE":"Texas A&M University","DEPARTMENT":"Veterinary Pathobiology","LAST_NAME":"Lawhon","FIRST_NAME":"Sara","ADDRESS":"MS4467","EMAIL":"slawhon@tamu.edu","PHONE":"979-218-7156"}, "SUBJECT":{"SUBJECT_TYPE":"Mammal","SUBJECT_SPECIES":"Bos indicus","TAXONOMY_ID":"9915"}, "SUBJECT_SAMPLE_FACTORS":[ { "Subject ID":"1.3113.0", "Sample ID":"160322cOEsa17_1", "Factors":{"Temperament":"Calm","Sex":"Female","Experiment Day":"-"}, "Additional sample data":{"Treatment Group":"calm_d0","WCMC Sample ID":"Lawhon 021616_1_001","bioproject_accession":"SUB5745248","*organism":"Serum","host":"Bos indicus","*collection_date":"9/12/2013","*geo_loc_name":"USA","*lat_lon":"32.27 N 94.97 W"} }, { "Subject ID":"2.3114.0", "Sample ID":"160322cOEsa27_1", "Factors":{"Temperament":"Calm","Sex":"Female","Experiment Day":"-"}, "Additional sample data":{"Treatment Group":"calm_d0","WCMC Sample ID":"Lawhon 021616_2_002","bioproject_accession":"SUB5745248","*organism":"Serum","host":"Bos indicus","*collection_date":"9/12/2013","*geo_loc_name":"USA","*lat_lon":"32.27 N 94.97 W"} }, { "Subject ID":"3.3134.0", "Sample ID":"160322cOEsa09_1", "Factors":{"Temperament":"Calm","Sex":"Female","Experiment Day":"-"}, "Additional sample data":{"Treatment Group":"calm_d0","WCMC Sample ID":"Lawhon 021616_3_003","bioproject_accession":"SUB5745248","*organism":"Serum","host":"Bos indicus","*collection_date":"9/12/2013","*geo_loc_name":"USA","*lat_lon":"32.27 N 94.97 W"} }, { "Subject ID":"4.3151.0", "Sample ID":"160322cOEsa35_1", "Factors":{"Temperament":"Calm","Sex":"Female","Experiment Day":"-"}, "Additional sample data":{"Treatment Group":"calm_d0","WCMC Sample ID":"Lawhon 021616_4_004","bioproject_accession":"SUB5745248","*organism":"Serum","host":"Bos indicus","*collection_date":"9/12/2013","*geo_loc_name":"USA","*lat_lon":"32.27 N 94.97 W"} }, { "Subject ID":"5.3180.0", "Sample ID":"160322cOEsa16_1", "Factors":{"Temperament":"Calm","Sex":"Female","Experiment Day":"-"}, "Additional sample data":{"Treatment Group":"calm_d0","WCMC Sample ID":"Lawhon 021616_5_005","bioproject_accession":"SUB5745248","*organism":"Serum","host":"Bos indicus","*collection_date":"9/12/2013","*geo_loc_name":"USA","*lat_lon":"32.27 N 94.97 W"} }, { "Subject ID":"6.3103.0", "Sample ID":"160322cOEsa34_1", "Factors":{"Temperament":"Temperamental","Sex":"Female","Experiment Day":"-"}, "Additional sample data":{"Treatment Group":"temperamental_d0","WCMC Sample ID":"Lawhon 021616_6_006","bioproject_accession":"SUB5745248","*organism":"Serum","host":"Bos indicus","*collection_date":"9/12/2013","*geo_loc_name":"USA","*lat_lon":"32.27 N 94.97 W"} }, { "Subject ID":"7.3121.0", "Sample ID":"160322cOEsa46_2", "Factors":{"Temperament":"Temperamental","Sex":"Female","Experiment Day":"-"}, "Additional sample data":{"Treatment Group":"temperamental_d0","WCMC Sample ID":"Lawhon 021616_7_007","bioproject_accession":"SUB5745248","*organism":"Serum","host":"Bos indicus","*collection_date":"9/12/2013","*geo_loc_name":"USA","*lat_lon":"32.27 N 94.97 W"} }, { "Subject ID":"8.3138.0", "Sample ID":"160322cOEsa01_1", "Factors":{"Temperament":"Temperamental","Sex":"Female","Experiment Day":"-"}, "Additional sample data":{"Treatment Group":"temperamental_d0","WCMC Sample ID":"Lawhon 021616_8_008","bioproject_accession":"SUB5745248","*organism":"Serum","host":"Bos indicus","*collection_date":"9/12/2013","*geo_loc_name":"USA","*lat_lon":"32.27 N 94.97 W"} }, { "Subject ID":"9.3131.0", "Sample ID":"160322cOEsa12_1", "Factors":{"Temperament":"Temperamental","Sex":"Female","Experiment Day":"-"}, "Additional sample data":{"Treatment Group":"temperamental_d0","WCMC Sample ID":"Lawhon 021616_9_009","bioproject_accession":"SUB5745248","*organism":"Serum","host":"Bos indicus","*collection_date":"9/12/2013","*geo_loc_name":"USA","*lat_lon":"32.27 N 94.97 W"} }, { "Subject ID":"10.3152.0", "Sample ID":"160322cOEsa38_1", "Factors":{"Temperament":"Temperamental","Sex":"Female","Experiment Day":"-"}, "Additional sample data":{"Treatment Group":"temperamental_d0","WCMC Sample ID":"Lawhon 021616_10_010","bioproject_accession":"SUB5745248","*organism":"Serum","host":"Bos indicus","*collection_date":"9/12/2013","*geo_loc_name":"USA","*lat_lon":"32.27 N 94.97 W"} }, { "Subject ID":"11.3147.0", "Sample ID":"160322cOEsa23_1", "Factors":{"Temperament":"Calm","Sex":"Male","Experiment Day":"-"}, "Additional sample data":{"Treatment Group":"calm_d0","WCMC Sample ID":"Lawhon 021616_11_011","bioproject_accession":"SUB5745248","*organism":"Serum","host":"Bos indicus","*collection_date":"9/12/2013","*geo_loc_name":"USA","*lat_lon":"32.27 N 94.97 W"} }, { "Subject ID":"12.3170.0", "Sample ID":"160322cOEsa25_1", "Factors":{"Temperament":"Calm","Sex":"Male","Experiment Day":"-"}, "Additional sample data":{"Treatment Group":"calm_d0","WCMC Sample ID":"Lawhon 021616_12_012","bioproject_accession":"SUB5745248","*organism":"Serum","host":"Bos indicus","*collection_date":"9/12/2013","*geo_loc_name":"USA","*lat_lon":"32.27 N 94.97 W"} }, { "Subject ID":"13.3168.0", "Sample ID":"160322cOEsa28_1", "Factors":{"Temperament":"Calm","Sex":"Male","Experiment Day":"-"}, "Additional sample data":{"Treatment Group":"calm_d0","WCMC Sample ID":"Lawhon 021616_13_013","bioproject_accession":"SUB5745248","*organism":"Serum","host":"Bos indicus","*collection_date":"9/12/2013","*geo_loc_name":"USA","*lat_lon":"32.27 N 94.97 W"} }, { "Subject ID":"14.3181.0", "Sample ID":"160322cOEsa19_1", "Factors":{"Temperament":"Calm","Sex":"Male","Experiment Day":"-"}, "Additional sample data":{"Treatment Group":"calm_d0","WCMC Sample ID":"Lawhon 021616_14_014","bioproject_accession":"SUB5745248","*organism":"Serum","host":"Bos indicus","*collection_date":"9/12/2013","*geo_loc_name":"USA","*lat_lon":"32.27 N 94.97 W"} }, { "Subject ID":"15.3105.0", "Sample ID":"160322cOEsa04_1", "Factors":{"Temperament":"Calm","Sex":"Male","Experiment Day":"-"}, "Additional sample data":{"Treatment Group":"calm_d0","WCMC Sample ID":"Lawhon 021616_15_015","bioproject_accession":"SUB5745248","*organism":"Serum","host":"Bos indicus","*collection_date":"9/12/2013","*geo_loc_name":"USA","*lat_lon":"32.27 N 94.97 W"} }, { "Subject ID":"16.3118.0", "Sample ID":"160322cOEsa45_2", "Factors":{"Temperament":"Temperamental","Sex":"Male","Experiment Day":"-"}, "Additional sample data":{"Treatment Group":"temperamental_d0","WCMC Sample ID":"Lawhon 021616_16_016","bioproject_accession":"SUB5745248","*organism":"Serum","host":"Bos indicus","*collection_date":"9/12/2013","*geo_loc_name":"USA","*lat_lon":"32.27 N 94.97 W"} }, { "Subject ID":"17.3172.0", "Sample ID":"160322cOEsa26_1", "Factors":{"Temperament":"Temperamental","Sex":"Male","Experiment Day":"-"}, "Additional sample data":{"Treatment Group":"temperamental_d0","WCMC Sample ID":"Lawhon 021616_17_017","bioproject_accession":"SUB5745248","*organism":"Serum","host":"Bos indicus","*collection_date":"9/12/2013","*geo_loc_name":"USA","*lat_lon":"32.27 N 94.97 W"} }, { "Subject ID":"18.3106.0", "Sample ID":"160322cOEsa24_1", "Factors":{"Temperament":"Temperamental","Sex":"Male","Experiment Day":"-"}, "Additional sample data":{"Treatment Group":"temperamental_d0","WCMC Sample ID":"Lawhon 021616_18_018","bioproject_accession":"SUB5745248","*organism":"Serum","host":"Bos indicus","*collection_date":"9/12/2013","*geo_loc_name":"USA","*lat_lon":"32.27 N 94.97 W"} }, { "Subject ID":"19.3117.0", "Sample ID":"160322cOEsa14_1", "Factors":{"Temperament":"Temperamental","Sex":"Male","Experiment Day":"-"}, "Additional sample data":{"Treatment Group":"temperamental_d0","WCMC Sample ID":"Lawhon 021616_19_019","bioproject_accession":"SUB5745248","*organism":"Serum","host":"Bos indicus","*collection_date":"9/12/2013","*geo_loc_name":"USA","*lat_lon":"32.27 N 94.97 W"} }, { "Subject ID":"20.3135.0", "Sample ID":"160322cOEsa29_1", "Factors":{"Temperament":"Temperamental","Sex":"Male","Experiment Day":"-"}, "Additional sample data":{"Treatment Group":"temperamental_d0","WCMC Sample ID":"Lawhon 021616_20_020","bioproject_accession":"SUB5745248","*organism":"Serum","host":"Bos indicus","*collection_date":"9/12/2013","*geo_loc_name":"USA","*lat_lon":"32.27 N 94.97 W"} }, { "Subject ID":"21.3113.4", "Sample ID":"160322cOEsa40_1", "Factors":{"Temperament":"Calm","Sex":"Female","Experiment Day":"4"}, "Additional sample data":{"Treatment Group":"calm_d4","WCMC Sample ID":"Lawhon 021616_21_021","bioproject_accession":"SUB5745248","*organism":"Serum","host":"Bos indicus","*collection_date":"9/16/2013","*geo_loc_name":"USA","*lat_lon":"32.27 N 94.97 W"} }, { "Subject ID":"22.3114.4", "Sample ID":"160322cOEsa20_1", "Factors":{"Temperament":"Calm","Sex":"Female","Experiment Day":"4"}, "Additional sample data":{"Treatment Group":"calm_d4","WCMC Sample ID":"Lawhon 021616_22_022","bioproject_accession":"SUB5745248","*organism":"Serum","host":"Bos indicus","*collection_date":"9/16/2013","*geo_loc_name":"USA","*lat_lon":"32.27 N 94.97 W"} }, { "Subject ID":"23.3134.4", "Sample ID":"160322cOEsa10_1", "Factors":{"Temperament":"Calm","Sex":"Female","Experiment Day":"4"}, "Additional sample data":{"Treatment Group":"calm_d4","WCMC Sample ID":"Lawhon 021616_23_023","bioproject_accession":"SUB5745248","*organism":"Serum","host":"Bos indicus","*collection_date":"9/16/2013","*geo_loc_name":"USA","*lat_lon":"32.27 N 94.97 W"} }, { "Subject ID":"24.3151.4", "Sample ID":"160322cOEsa37_1", "Factors":{"Temperament":"Calm","Sex":"Female","Experiment Day":"4"}, "Additional sample data":{"Treatment Group":"calm_d4","WCMC Sample ID":"Lawhon 021616_24_024","bioproject_accession":"SUB5745248","*organism":"Serum","host":"Bos indicus","*collection_date":"9/16/2013","*geo_loc_name":"USA","*lat_lon":"32.27 N 94.97 W"} }, { "Subject ID":"25.3180.4", "Sample ID":"160322cOEsa03_1", "Factors":{"Temperament":"Calm","Sex":"Female","Experiment Day":"4"}, "Additional sample data":{"Treatment Group":"calm_d4","WCMC Sample ID":"Lawhon 021616_25_025","bioproject_accession":"SUB5745248","*organism":"Serum","host":"Bos indicus","*collection_date":"9/16/2013","*geo_loc_name":"USA","*lat_lon":"32.27 N 94.97 W"} }, { "Subject ID":"26.3103.4", "Sample ID":"160322cOEsa18_1", "Factors":{"Temperament":"Temperamental","Sex":"Female","Experiment Day":"4"}, "Additional sample data":{"Treatment Group":"temperamental_d4","WCMC Sample ID":"Lawhon 021616_26_026","bioproject_accession":"SUB5745248","*organism":"Serum","host":"Bos indicus","*collection_date":"9/16/2013","*geo_loc_name":"USA","*lat_lon":"32.27 N 94.97 W"} }, { "Subject ID":"27.3121.4", "Sample ID":"160322cOEsa08_1", "Factors":{"Temperament":"Temperamental","Sex":"Female","Experiment Day":"4"}, "Additional sample data":{"Treatment Group":"temperamental_d4","WCMC Sample ID":"Lawhon 021616_27_027","bioproject_accession":"SUB5745248","*organism":"Serum","host":"Bos indicus","*collection_date":"9/16/2013","*geo_loc_name":"USA","*lat_lon":"32.27 N 94.97 W"} }, { "Subject ID":"28.3138.4", "Sample ID":"160322cOEsa15_1", "Factors":{"Temperament":"Temperamental","Sex":"Female","Experiment Day":"4"}, "Additional sample data":{"Treatment Group":"temperamental_d4","WCMC Sample ID":"Lawhon 021616_28_028","bioproject_accession":"SUB5745248","*organism":"Serum","host":"Bos indicus","*collection_date":"9/16/2013","*geo_loc_name":"USA","*lat_lon":"32.27 N 94.97 W"} }, { "Subject ID":"29.3131.4", "Sample ID":"160322cOEsa02_1", "Factors":{"Temperament":"Temperamental","Sex":"Female","Experiment Day":"4"}, "Additional sample data":{"Treatment Group":"temperamental_d4","WCMC Sample ID":"Lawhon 021616_29_029","bioproject_accession":"SUB5745248","*organism":"Serum","host":"Bos indicus","*collection_date":"9/16/2013","*geo_loc_name":"USA","*lat_lon":"32.27 N 94.97 W"} }, { "Subject ID":"30.3152.4", "Sample ID":"160322cOEsa06_1", "Factors":{"Temperament":"Temperamental","Sex":"Female","Experiment Day":"4"}, "Additional sample data":{"Treatment Group":"temperamental_d4","WCMC Sample ID":"Lawhon 021616_30_030","bioproject_accession":"SUB5745248","*organism":"Serum","host":"Bos indicus","*collection_date":"9/16/2013","*geo_loc_name":"USA","*lat_lon":"32.27 N 94.97 W"} }, { "Subject ID":"31.3147.4", "Sample ID":"160322cOEsa42_2", "Factors":{"Temperament":"Calm","Sex":"Male","Experiment Day":"4"}, "Additional sample data":{"Treatment Group":"calm_d4","WCMC Sample ID":"Lawhon 021616_31_031","bioproject_accession":"SUB5745248","*organism":"Serum","host":"Bos indicus","*collection_date":"9/16/2013","*geo_loc_name":"USA","*lat_lon":"32.27 N 94.97 W"} }, { "Subject ID":"32.3170.4", "Sample ID":"160322cOEsa11_1", "Factors":{"Temperament":"Calm","Sex":"Male","Experiment Day":"4"}, "Additional sample data":{"Treatment Group":"calm_d4","WCMC Sample ID":"Lawhon 021616_32_032","bioproject_accession":"SUB5745248","*organism":"Serum","host":"Bos indicus","*collection_date":"9/16/2013","*geo_loc_name":"USA","*lat_lon":"32.27 N 94.97 W"} }, { "Subject ID":"33.3168.4", "Sample ID":"160322cOEsa36_1", "Factors":{"Temperament":"Calm","Sex":"Male","Experiment Day":"4"}, "Additional sample data":{"Treatment Group":"calm_d4","WCMC Sample ID":"Lawhon 021616_33_033","bioproject_accession":"SUB5745248","*organism":"Serum","host":"Bos indicus","*collection_date":"9/16/2013","*geo_loc_name":"USA","*lat_lon":"32.27 N 94.97 W"} }, { "Subject ID":"34.3181.4", "Sample ID":"160322cOEsa07_1", "Factors":{"Temperament":"Calm","Sex":"Male","Experiment Day":"4"}, "Additional sample data":{"Treatment Group":"calm_d4","WCMC Sample ID":"Lawhon 021616_34_034","bioproject_accession":"SUB5745248","*organism":"Serum","host":"Bos indicus","*collection_date":"9/16/2013","*geo_loc_name":"USA","*lat_lon":"32.27 N 94.97 W"} }, { "Subject ID":"35.3105.4", "Sample ID":"160322cOEsa13_1", "Factors":{"Temperament":"Calm","Sex":"Male","Experiment Day":"4"}, "Additional sample data":{"Treatment Group":"calm_d4","WCMC Sample ID":"Lawhon 021616_35_035","bioproject_accession":"SUB5745248","*organism":"Serum","host":"Bos indicus","*collection_date":"9/16/2013","*geo_loc_name":"USA","*lat_lon":"32.27 N 94.97 W"} }, { "Subject ID":"36.3118.4", "Sample ID":"160322cOEsa33_1", "Factors":{"Temperament":"Temperamental","Sex":"Male","Experiment Day":"4"}, "Additional sample data":{"Treatment Group":"temperamental_d4","WCMC Sample ID":"Lawhon 021616_36_036","bioproject_accession":"SUB5745248","*organism":"Serum","host":"Bos indicus","*collection_date":"9/16/2013","*geo_loc_name":"USA","*lat_lon":"32.27 N 94.97 W"} }, { "Subject ID":"37.3172.4", "Sample ID":"160322cOEsa05_1", "Factors":{"Temperament":"Temperamental","Sex":"Male","Experiment Day":"4"}, "Additional sample data":{"Treatment Group":"temperamental_d4","WCMC Sample ID":"Lawhon 021616_37_037","bioproject_accession":"SUB5745248","*organism":"Serum","host":"Bos indicus","*collection_date":"9/16/2013","*geo_loc_name":"USA","*lat_lon":"32.27 N 94.97 W"} }, { "Subject ID":"38.3106.4", "Sample ID":"160322cOEsa44_2", "Factors":{"Temperament":"Temperamental","Sex":"Male","Experiment Day":"4"}, "Additional sample data":{"Treatment Group":"temperamental_d4","WCMC Sample ID":"Lawhon 021616_38_038","bioproject_accession":"SUB5745248","*organism":"Serum","host":"Bos indicus","*collection_date":"9/16/2013","*geo_loc_name":"USA","*lat_lon":"32.27 N 94.97 W"} }, { "Subject ID":"39.3117.4", "Sample ID":"160322cOEsa30_1", "Factors":{"Temperament":"Temperamental","Sex":"Male","Experiment Day":"4"}, "Additional sample data":{"Treatment Group":"temperamental_d4","WCMC Sample ID":"Lawhon 021616_39_039","bioproject_accession":"SUB5745248","*organism":"Serum","host":"Bos indicus","*collection_date":"9/16/2013","*geo_loc_name":"USA","*lat_lon":"32.27 N 94.97 W"} }, { "Subject ID":"40.3135.4", "Sample ID":"160322cOEsa21_1", "Factors":{"Temperament":"Temperamental","Sex":"Male","Experiment Day":"4"}, "Additional sample data":{"Treatment Group":"temperamental_d4","WCMC Sample ID":"Lawhon 021616_40_040","bioproject_accession":"SUB5745248","*organism":"Serum","host":"Bos indicus","*collection_date":"9/16/2013","*geo_loc_name":"USA","*lat_lon":"32.27 N 94.97 W"} } ], "COLLECTION":{"COLLECTION_SUMMARY":"Blood was collected via jugular venipuncture into vacutainer tubes without an anti-clotting reagent. Samples were allowed to coagulate on ice followed by centrifugation at 1600 x g for 30 min. Serum was aspirated and stored at -20 ⁰C.","SAMPLE_TYPE":"Blood (serum)","STORAGE_CONDITIONS":"-20℃"}, "TREATMENT":{"TREATMENT_SUMMARY":"Calves were weaned and blood samples collected at the time of weaning and four days after weaning. No other treatments were performed. No drugs were employed."}, "SAMPLEPREP":{"SAMPLEPREP_SUMMARY":"Blood serum was extracted following the protocols published in Fiehn et al. PLoS ONE (2010) e15234. A 30 ul aliquot of each sample was extracted with 1 ml of degassed acetonitrile : isopropanol : water (3:3:2, v/v/v) at -20C, centrifuged and decanted with subsequent evaporation of the solvent to complete dryness. A clean-up step with acetonitrile/water (1:1) was used to remove membrane lipids and triglycerides. The cleaned extract was aliquoted into two equal portions and the supernatant was dried again. Internal standards C08-C30 FAMEs were added and the samples were derivatized by methoxyamine hydrochloride in pyridine and subsequently by N-methyl-N-trimethylsilyltrifluoroacetamide for trimethylsilylation of acidic protons.","PROCESSING_STORAGE_CONDITIONS":"-20℃","EXTRACTION_METHOD":"A 30 ul aliquot of each sample was extracted with 1 ml of degassed acetonitrile : isopropanol : water (3:3:2, v/v/v) at -20C, centrifuged and decanted with subsequent evaporation of the solvent to complete dryness.","EXTRACT_CLEANUP":"A clean-up step with acetonitrile/water (1:1) was used to remove membrane lipids and triglycerides.","EXTRACT_STORAGE":"-20℃","SAMPLE_DERIVATIZATION":"Samples were derivatized by methoxyamine hydrochloride in pyridine and subsequently by N-methyl-N-trimethylsilyltrifluoroacetamide for trimethylsilylation of acidic protons.","SAMPLE_SPIKING":"Internal standards C08-C30 FAMEs were added."}, "CHROMATOGRAPHY":{"CHROMATOGRAPHY_SUMMARY":"See method file.","CHROMATOGRAPHY_TYPE":"GC","INSTRUMENT_NAME":"none","COLUMN_NAME":"none","FLOW_RATE":"1 mL min-1","COLUMN_TEMPERATURE":"50-275°C","METHODS_FILENAME":"GC TOF method.doc","INJECTION_TEMPERATURE":"50°C ramped to 250°C by 12°C s-1"}, "ANALYSIS":{"ANALYSIS_TYPE":"MS","LABORATORY_NAME":"Fiehn Lab","SOFTWARE_VERSION":"Leco ChromaTOF software vs. 2.32 (St. Joseph, MI).","ACQUISITION_DATE":"March 22, 2016","ACQUISITION_PARAMETERS_FILE":"Acquisition rate is 17 spectra/second, with a scan mass range of 85-500 Da.","DATA_FORMAT":".cdf"}, "MS":{"INSTRUMENT_NAME":"Leco Pegasus IV TOF","INSTRUMENT_TYPE":"GC-TOF","MS_TYPE":"EI","ION_MODE":"POSITIVE","MS_COMMENTS":"See attached file.","ACQUISITION_DATE":"March 22, 2016"}, "MS_METABOLITE_DATA":{ "Units":"Peak height", 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