{
"METABOLOMICS WORKBENCH":{"STUDY_ID":"ST002723","ANALYSIS_ID":"AN004414","VERSION":"1","CREATED_ON":"June 4, 2023, 11:08 pm"},

"PROJECT":{"PROJECT_TITLE":"A systems-level approach for disentangling complex interactions among the gut microbiome, anti-inflammatory food metabolomic signatures, and human inflammation phenotypes","PROJECT_SUMMARY":"The goal of this project is to elucidate interactions among the gut microbiome, anti-inflammatory food metabolomic signatures, and human inflammation phenotypes. Inflammation plays both direct and indirect roles in the development of type 2 diabetes (T2D), atherogenic cardiovascular diseases, and other causes of morbidity and mortality. In preliminary USDA-NIFA funded studies, we found that individuals of distinct low and high inflammation phenotypes have distinct metabolomic signatures in their blood. Anthocyanins and fiber of bioactive components of foods that have been shown to lower inflammation. However, there is tremendous inter-individual variability in bioavailability of anthocyanins and production of phenolic and aromatic metabolites in the colon that depends, at least in part, on digestive metabolism by microorganisms (the microbiota) in the gut. Fiber which acts as a prebiotic to enrich favorable gut microbes and as a fermentation substrate to produce favorable or unfavorable metabolites according to the unique makeup of the gut microbiota. However, little is known about the complex interactions among the gut microbiome, anti-inflammatory food metabolomic signatures, and human inflammation phenotypes. We propose a of human mechanistic clinical trials and mice humanized with fecal microbiome transplants to disentangle these complex interactions. To determine the metabolomic signatures anti-inflammatory foods and key bioactive components and determine associations with constituents of the gut microbiome (Aim 1A), we will measure in a human cohort the makeup of the gut microbiome and metabolomic changes induced by acute (3 d) ingestion of 1) chokeberry and chokeberry anthocyanins (n=75), and 2) lentils and lentil fiber (n=75). To determine whether these foods are related to the metabolomic signatures of low versus high inflammation phenotypes (Aim 1B), we will compare the metabolites and associated metabolic pathways of chokeberry, chokeberry anthocyanins, lentils, and lentil fiber to those associated with low and high inflammation phenotypes. To determine the impact of inter-individual variability of the gut microbiome on metabolomic signatures (Aim 2A), we will humanize mice with a diverse collection of human gut microbiomes and determine whether the makeup of the microbiome predicts features (metabolites) of chokeberry/anthocyanin, lentils/fiber metabolomic signatures. Findings from these experiments directly address the PAR-18-727 program area priority of “identification and validation of food and nutrient specific metabolic signatures that correlate with nutrient quality and efficacy and provide insights to develop synergistic foodprebiotic based therapies to convert humans from high to low inflammation phenotypes to reduce disease risk and severity.","INSTITUTE":"Montana State University","LAST_NAME":"Jesse","FIRST_NAME":"Peach","ADDRESS":"PO Box 173400, Bozeman, MT 59717","EMAIL":"jessepeach@gmail.com","PHONE":"406-595-3100"},

"STUDY":{"STUDY_TITLE":"INFLAMMATORY STIMULUS IN HUMANIZED MOUSE MODELS REVEALS THE ANTIOXIDANT EFFECTS OF ARONIA SUPPLEMENTATION","STUDY_SUMMARY":"INFLAMMATORY STIMULUS IN HUMANIZED MOUSE MODELS REVEALS THE ANTIOXIDANT EFFECTS OF ARONIA SUPPLEMENTATION","INSTITUTE":"Montana State University","LAST_NAME":"Peach","FIRST_NAME":"Jesse","ADDRESS":"PO Box 173400, Bozeman, MT 59717","EMAIL":"jessepeach@gmail.com","PHONE":"406-595-3100"},

"SUBJECT":{"SUBJECT_TYPE":"Mammal","SUBJECT_SPECIES":"Mus musculus","TAXONOMY_ID":"10090"},
"SUBJECT_SAMPLE_FACTORS":[
{
"Subject ID":"-",
"Sample ID":"Blank",
"Factors":{"Donor":"Blank","Treatment":"Blank","Time":"Blank"},
"Additional sample data":{"RAW_FILE_NAME":"2021_01_29_HF_MurSerum_02_Blank2.d"}
},
{
"Subject ID":"-",
"Sample ID":"52",
"Factors":{"Donor":"7","Treatment":"Control","Time":"2"},
"Additional sample data":{"RAW_FILE_NAME":"2021_01_29_HF_MurSerum_03_114_52.d"}
},
{
"Subject ID":"-",
"Sample ID":"11",
"Factors":{"Donor":"1","Treatment":"Aronia","Time":"0"},
"Additional sample data":{"RAW_FILE_NAME":"2021_01_29_HF_MurSerum_04_114_11.d"}
},
{
"Subject ID":"-",
"Sample ID":"56",
"Factors":{"Donor":"7","Treatment":"Control","Time":"0"},
"Additional sample data":{"RAW_FILE_NAME":"2021_01_29_HF_MurSerum_05_114_56.d"}
},
{
"Subject ID":"-",
"Sample ID":"66",
"Factors":{"Donor":"Extraction Blank","Treatment":"Extraction Blank","Time":"Extraction Blank"},
"Additional sample data":{"RAW_FILE_NAME":"2021_01_29_HF_MurSerum_06_114_66.d"}
},
{
"Subject ID":"-",
"Sample ID":"65",
"Factors":{"Donor":"7","Treatment":"Control","Time":"8"},
"Additional sample data":{"RAW_FILE_NAME":"2021_01_29_HF_MurSerum_08_114_65.d"}
},
{
"Subject ID":"-",
"Sample ID":"19",
"Factors":{"Donor":"1","Treatment":"Control","Time":"6"},
"Additional sample data":{"RAW_FILE_NAME":"2021_01_29_HF_MurSerum_09_114_19.d"}
},
{
"Subject ID":"-",
"Sample ID":"7",
"Factors":{"Donor":"1","Treatment":"Aronia","Time":"2"},
"Additional sample data":{"RAW_FILE_NAME":"2021_01_29_HF_MurSerum_10_114_07.d"}
},
{
"Subject ID":"-",
"Sample ID":"36",
"Factors":{"Donor":"7","Treatment":"Aronia","Time":"0"},
"Additional sample data":{"RAW_FILE_NAME":"2021_01_29_HF_MurSerum_11_114_36.d"}
},
{
"Subject ID":"-",
"Sample ID":"31",
"Factors":{"Donor":"7","Treatment":"Aronia","Time":"0"},
"Additional sample data":{"RAW_FILE_NAME":"2021_01_29_HF_MurSerum_13_114_31.d"}
},
{
"Subject ID":"-",
"Sample ID":"29",
"Factors":{"Donor":"1","Treatment":"Control","Time":"6"},
"Additional sample data":{"RAW_FILE_NAME":"2021_01_29_HF_MurSerum_14_114_29.d"}
},
{
"Subject ID":"-",
"Sample ID":"63",
"Factors":{"Donor":"7","Treatment":"Control","Time":"4"},
"Additional sample data":{"RAW_FILE_NAME":"2021_01_29_HF_MurSerum_15_114_63.d"}
},
{
"Subject ID":"-",
"Sample ID":"60",
"Factors":{"Donor":"7","Treatment":"Control","Time":"8"},
"Additional sample data":{"RAW_FILE_NAME":"2021_01_29_HF_MurSerum_16_114_60.d"}
},
{
"Subject ID":"-",
"Sample ID":"14",
"Factors":{"Donor":"1","Treatment":"Aronia","Time":"6"},
"Additional sample data":{"RAW_FILE_NAME":"2021_01_29_HF_MurSerum_19_114_14.d"}
},
{
"Subject ID":"-",
"Sample ID":"50",
"Factors":{"Donor":"7","Treatment":"Aronia","Time":"8"},
"Additional sample data":{"RAW_FILE_NAME":"2021_01_29_HF_MurSerum_20_114_50.d"}
},
{
"Subject ID":"-",
"Sample ID":"30",
"Factors":{"Donor":"1","Treatment":"Control","Time":"8"},
"Additional sample data":{"RAW_FILE_NAME":"2021_01_29_HF_MurSerum_21_114_30.d"}
},
{
"Subject ID":"-",
"Sample ID":"34",
"Factors":{"Donor":"7","Treatment":"Aronia","Time":"6"},
"Additional sample data":{"RAW_FILE_NAME":"2021_01_29_HF_MurSerum_22_114_34.d"}
},
{
"Subject ID":"-",
"Sample ID":"49",
"Factors":{"Donor":"7","Treatment":"Aronia","Time":"6"},
"Additional sample data":{"RAW_FILE_NAME":"2021_01_29_HF_MurSerum_24_114_49.d"}
},
{
"Subject ID":"-",
"Sample ID":"33",
"Factors":{"Donor":"7","Treatment":"Aronia","Time":"4"},
"Additional sample data":{"RAW_FILE_NAME":"2021_01_29_HF_MurSerum_25_114_33.d"}
},
{
"Subject ID":"-",
"Sample ID":"68",
"Factors":{"Donor":"7","Treatment":"Aronia","Time":"0"},
"Additional sample data":{"RAW_FILE_NAME":"2021_01_29_HF_MurSerum_26_114_68.d"}
},
{
"Subject ID":"-",
"Sample ID":"53",
"Factors":{"Donor":"7","Treatment":"Control","Time":"4"},
"Additional sample data":{"RAW_FILE_NAME":"2021_01_29_HF_MurSerum_27_114_53.d"}
},
{
"Subject ID":"-",
"Sample ID":"10",
"Factors":{"Donor":"1","Treatment":"Aronia","Time":"8"},
"Additional sample data":{"RAW_FILE_NAME":"2021_01_29_HF_MurSerum_29_114_10.d"}
},
{
"Subject ID":"-",
"Sample ID":"67",
"Factors":{"Donor":"Extraction Blank","Treatment":"Extraction Blank","Time":"Extraction Blank"},
"Additional sample data":{"RAW_FILE_NAME":"2021_01_29_HF_MurSerum_30_114_67.d"}
},
{
"Subject ID":"-",
"Sample ID":"54",
"Factors":{"Donor":"7","Treatment":"Control","Time":"6"},
"Additional sample data":{"RAW_FILE_NAME":"2021_01_29_HF_MurSerum_32_114_54.d"}
},
{
"Subject ID":"-",
"Sample ID":"24",
"Factors":{"Donor":"1","Treatment":"Control","Time":"6"},
"Additional sample data":{"RAW_FILE_NAME":"2021_01_29_HF_MurSerum_33_114_24.d"}
},
{
"Subject ID":"-",
"Sample ID":"62",
"Factors":{"Donor":"7","Treatment":"Control","Time":"2"},
"Additional sample data":{"RAW_FILE_NAME":"2021_01_29_HF_MurSerum_35_114_62.d"}
},
{
"Subject ID":"-",
"Sample ID":"45",
"Factors":{"Donor":"7","Treatment":"Aronia","Time":"8"},
"Additional sample data":{"RAW_FILE_NAME":"2021_01_29_HF_MurSerum_36_114_45.d"}
},
{
"Subject ID":"-",
"Sample ID":"6",
"Factors":{"Donor":"1","Treatment":"Aronia","Time":"0"},
"Additional sample data":{"RAW_FILE_NAME":"2021_01_29_HF_MurSerum_37_114_06.d"}
},
{
"Subject ID":"-",
"Sample ID":"22",
"Factors":{"Donor":"1","Treatment":"Control","Time":"2"},
"Additional sample data":{"RAW_FILE_NAME":"2021_01_29_HF_MurSerum_38_114_22.d"}
},
{
"Subject ID":"-",
"Sample ID":"18",
"Factors":{"Donor":"1","Treatment":"Control","Time":"4"},
"Additional sample data":{"RAW_FILE_NAME":"2021_01_29_HF_MurSerum_40_114_18.d"}
},
{
"Subject ID":"-",
"Sample ID":"20",
"Factors":{"Donor":"1","Treatment":"Control","Time":"8"},
"Additional sample data":{"RAW_FILE_NAME":"2021_01_29_HF_MurSerum_41_114_20.d"}
},
{
"Subject ID":"-",
"Sample ID":"4",
"Factors":{"Donor":"1","Treatment":"Aronia","Time":"6"},
"Additional sample data":{"RAW_FILE_NAME":"2021_01_29_HF_MurSerum_42_114_04.d"}
},
{
"Subject ID":"-",
"Sample ID":"13",
"Factors":{"Donor":"1","Treatment":"Aronia","Time":"4"},
"Additional sample data":{"RAW_FILE_NAME":"2021_01_29_HF_MurSerum_43_114_13.d"}
},
{
"Subject ID":"-",
"Sample ID":"38",
"Factors":{"Donor":"7","Treatment":"Aronia","Time":"4"},
"Additional sample data":{"RAW_FILE_NAME":"2021_01_29_HF_MurSerum_45_114_38.d"}
},
{
"Subject ID":"-",
"Sample ID":"25",
"Factors":{"Donor":"1","Treatment":"Control","Time":"8"},
"Additional sample data":{"RAW_FILE_NAME":"2021_01_29_HF_MurSerum_46_114_25.d"}
},
{
"Subject ID":"-",
"Sample ID":"59",
"Factors":{"Donor":"7","Treatment":"Control","Time":"6"},
"Additional sample data":{"RAW_FILE_NAME":"2021_01_29_HF_MurSerum_47_114_59.d"}
},
{
"Subject ID":"-",
"Sample ID":"39",
"Factors":{"Donor":"7","Treatment":"Aronia","Time":"6"},
"Additional sample data":{"RAW_FILE_NAME":"2021_01_29_HF_MurSerum_48_114_39.d"}
},
{
"Subject ID":"-",
"Sample ID":"35",
"Factors":{"Donor":"7","Treatment":"Aronia","Time":"8"},
"Additional sample data":{"RAW_FILE_NAME":"2021_01_29_HF_MurSerum_51_114_35.d"}
},
{
"Subject ID":"-",
"Sample ID":"48",
"Factors":{"Donor":"7","Treatment":"Aronia","Time":"4"},
"Additional sample data":{"RAW_FILE_NAME":"2021_01_29_HF_MurSerum_52_114_48.d"}
},
{
"Subject ID":"-",
"Sample ID":"41",
"Factors":{"Donor":"7","Treatment":"Aronia","Time":"0"},
"Additional sample data":{"RAW_FILE_NAME":"2021_01_29_HF_MurSerum_53_114_41.d"}
},
{
"Subject ID":"-",
"Sample ID":"8",
"Factors":{"Donor":"1","Treatment":"Aronia","Time":"4"},
"Additional sample data":{"RAW_FILE_NAME":"2021_01_29_HF_MurSerum_54_114_08.d"}
},
{
"Subject ID":"-",
"Sample ID":"46",
"Factors":{"Donor":"7","Treatment":"Aronia","Time":"0"},
"Additional sample data":{"RAW_FILE_NAME":"2021_01_29_HF_MurSerum_56_114_46.d"}
},
{
"Subject ID":"-",
"Sample ID":"51",
"Factors":{"Donor":"7","Treatment":"Control","Time":"0"},
"Additional sample data":{"RAW_FILE_NAME":"2021_01_29_HF_MurSerum_57_114_51.d"}
},
{
"Subject ID":"-",
"Sample ID":"55",
"Factors":{"Donor":"7","Treatment":"Control","Time":"8"},
"Additional sample data":{"RAW_FILE_NAME":"2021_01_29_HF_MurSerum_60_114_55.d"}
},
{
"Subject ID":"-",
"Sample ID":"15",
"Factors":{"Donor":"1","Treatment":"Aronia","Time":"8"},
"Additional sample data":{"RAW_FILE_NAME":"2021_01_29_HF_MurSerum_61_114_15.d"}
},
{
"Subject ID":"-",
"Sample ID":"21",
"Factors":{"Donor":"1","Treatment":"Control","Time":"0"},
"Additional sample data":{"RAW_FILE_NAME":"2021_01_29_HF_MurSerum_62_114_21.d"}
},
{
"Subject ID":"-",
"Sample ID":"23",
"Factors":{"Donor":"1","Treatment":"Control","Time":"4"},
"Additional sample data":{"RAW_FILE_NAME":"2021_01_29_HF_MurSerum_62_114_23.d"}
},
{
"Subject ID":"-",
"Sample ID":"16",
"Factors":{"Donor":"1","Treatment":"Control","Time":"0"},
"Additional sample data":{"RAW_FILE_NAME":"2021_01_29_HF_MurSerum_63_114_16.d"}
},
{
"Subject ID":"-",
"Sample ID":"44",
"Factors":{"Donor":"7","Treatment":"Aronia","Time":"6"},
"Additional sample data":{"RAW_FILE_NAME":"2021_01_29_HF_MurSerum_63_114_44.d"}
},
{
"Subject ID":"-",
"Sample ID":"43",
"Factors":{"Donor":"7","Treatment":"Aronia","Time":"4"},
"Additional sample data":{"RAW_FILE_NAME":"2021_01_29_HF_MurSerum_64_114_43.d"}
},
{
"Subject ID":"-",
"Sample ID":"47",
"Factors":{"Donor":"7","Treatment":"Aronia","Time":"2"},
"Additional sample data":{"RAW_FILE_NAME":"2021_01_29_HF_MurSerum_64_114_47.d"}
},
{
"Subject ID":"-",
"Sample ID":"64",
"Factors":{"Donor":"7","Treatment":"Control","Time":"6"},
"Additional sample data":{"RAW_FILE_NAME":"2021_01_29_HF_MurSerum_64_114_64.d"}
},
{
"Subject ID":"-",
"Sample ID":"12",
"Factors":{"Donor":"1","Treatment":"Aronia","Time":"2"},
"Additional sample data":{"RAW_FILE_NAME":"2021_01_29_HF_MurSerum_65_114_12.d"}
},
{
"Subject ID":"-",
"Sample ID":"28",
"Factors":{"Donor":"1","Treatment":"Control","Time":"4"},
"Additional sample data":{"RAW_FILE_NAME":"2021_01_29_HF_MurSerum_65_114_28.d"}
},
{
"Subject ID":"-",
"Sample ID":"32",
"Factors":{"Donor":"7","Treatment":"Aronia","Time":"2"},
"Additional sample data":{"RAW_FILE_NAME":"2021_01_29_HF_MurSerum_65_114_32.d"}
},
{
"Subject ID":"-",
"Sample ID":"37",
"Factors":{"Donor":"7","Treatment":"Aronia","Time":"2"},
"Additional sample data":{"RAW_FILE_NAME":"2021_01_29_HF_MurSerum_65_114_37.d"}
},
{
"Subject ID":"-",
"Sample ID":"9",
"Factors":{"Donor":"1","Treatment":"Aronia","Time":"6"},
"Additional sample data":{"RAW_FILE_NAME":"2021_01_29_HF_MurSerum_66_114_09.d"}
},
{
"Subject ID":"-",
"Sample ID":"17",
"Factors":{"Donor":"1","Treatment":"Control","Time":"2"},
"Additional sample data":{"RAW_FILE_NAME":"2021_01_29_HF_MurSerum_66_114_17.d"}
},
{
"Subject ID":"-",
"Sample ID":"26",
"Factors":{"Donor":"1","Treatment":"Control","Time":"0"},
"Additional sample data":{"RAW_FILE_NAME":"2021_01_29_HF_MurSerum_66_114_26.d"}
},
{
"Subject ID":"-",
"Sample ID":"40",
"Factors":{"Donor":"7","Treatment":"Aronia","Time":"8"},
"Additional sample data":{"RAW_FILE_NAME":"2021_01_29_HF_MurSerum_66_114_40.d"}
},
{
"Subject ID":"-",
"Sample ID":"57",
"Factors":{"Donor":"7","Treatment":"Control","Time":"2"},
"Additional sample data":{"RAW_FILE_NAME":"2021_01_29_HF_MurSerum_66_114_57.d"}
},
{
"Subject ID":"-",
"Sample ID":"1",
"Factors":{"Donor":"1","Treatment":"Aronia","Time":"0"},
"Additional sample data":{"RAW_FILE_NAME":"2021_01_29_HF_MurSerum_67_114_01.d"}
},
{
"Subject ID":"-",
"Sample ID":"5",
"Factors":{"Donor":"1","Treatment":"Aronia","Time":"8"},
"Additional sample data":{"RAW_FILE_NAME":"2021_01_29_HF_MurSerum_67_114_05.d"}
},
{
"Subject ID":"-",
"Sample ID":"61",
"Factors":{"Donor":"7","Treatment":"Control","Time":"0"},
"Additional sample data":{"RAW_FILE_NAME":"2021_01_29_HF_MurSerum_68_114_61.d"}
},
{
"Subject ID":"-",
"Sample ID":"3",
"Factors":{"Donor":"1","Treatment":"Aronia","Time":"4"},
"Additional sample data":{"RAW_FILE_NAME":"2021_01_29_HF_MurSerum_69_114_03.d"}
},
{
"Subject ID":"-",
"Sample ID":"42",
"Factors":{"Donor":"7","Treatment":"Aronia","Time":"2"},
"Additional sample data":{"RAW_FILE_NAME":"2021_01_29_HF_MurSerum_70_114_42.d"}
},
{
"Subject ID":"-",
"Sample ID":"58",
"Factors":{"Donor":"7","Treatment":"Control","Time":"4"},
"Additional sample data":{"RAW_FILE_NAME":"2021_01_29_HF_MurSerum_71_114_58.d"}
},
{
"Subject ID":"-",
"Sample ID":"2",
"Factors":{"Donor":"1","Treatment":"Aronia","Time":"2"},
"Additional sample data":{"RAW_FILE_NAME":"2021_01_29_HF_MurSerum_73_114_02.d"}
},
{
"Subject ID":"-",
"Sample ID":"27",
"Factors":{"Donor":"1","Treatment":"Control","Time":"2"},
"Additional sample data":{"RAW_FILE_NAME":"2021_01_29_HF_MurSerum_74_114_27.d"}
}
],
"COLLECTION":{"COLLECTION_SUMMARY":"Two human stool donors were selected based on their inflammation profile which occurred prior to gut microbial community profiling. Female germ- free (GF) C57BL/6J mice, originally purchased from the Jackson Laboratory (Bar Harbor, ME) were housed and bred at the American Association for the Accreditation of Laboratory Animal Care-accredited Animal Resource Center at Montana State University. Mice were held in individually ventilated cages with sterile bedding before and after fecal transplantation from selected human stool donors. Two female mice received an inoculation with fecal material from a human donor categorized as having low or high systemic inflammation based on serum levels of six proinflammatory cytokines. Human donor stool slurry aliquots were administered to GF mice through oral gavage. Sexually mature male GF C57BL/6J mice were added to each cage approximately one week after transplantation. Male mice removed prior to birth of pups. Pups from the inoculated dams were co-housed by sex (3 – 5 mice/cage) with different microbial inoculations placed in separate isolators. Mice from each microbial inoculation were assigned to one of two juice groups: Aronia (ARO LO , = 3, ARO HI , n=5), or a sugar-matched juice (CON LO ,n=3, CON HI , n = 3). Weekly measurements of body weight and food and fluid intake were recorded. Blood samples were collected at the same interval into serum separating tubes. Whole blood was allowed to clot for 15 minutes before centrifugation at 1200 RPM for 15 minutes with resulting serum aliquoted and stored at -80ºC until analysis. After T8 sample collection, mice were euthanized via rapid CO 2 asphyxiation.","SAMPLE_TYPE":"Blood (serum)"},

"TREATMENT":{"TREATMENT_SUMMARY":"At baseline (T0), regular drinking water was replaced with ARO or CON juice to begin a two-week familiarization period with the juice. ARO mice received an unpasteurized blend of Aronia juice, and CON mice received a sugar-matched beverage containing water, sorbitol, glucose, and fructose. The mice were housed in cages with free access to their respective juice. During the familiarization period, all mice received standard chow (LabDiet 5013).  After the 2-week familiarization period (T2), mice began a 6-week high-fat diet, delivered ad libitum concomitant with juice consumption. The HFD (Teklad TD.96132) was chosen to induce obesity and present an inflammatory stimulus (Duan et al., 2018) . The HFD mimics a Western style diet and consisted of 40.6% fat, 40.7% carbohydrate, and 18.7% protein and was particularly rich in sugars and trans-fatty acids. All chow provided was sterilized via autoclaving or irradiation. A total of 150 mL of juice was provided per cage each week. Juice was refilled three times each week.  "},

"SAMPLEPREP":{"SAMPLEPREP_SUMMARY":"Samples were stored at -80 until ready for analysis. A liquid extraction was completed with a protein precipitation. Samples were then concentrated and stored dry until LCMS analysis."},

"CHROMATOGRAPHY":{"CHROMATOGRAPHY_TYPE":"HILIC","INSTRUMENT_NAME":"Agilent 1290 Infinity II","COLUMN_NAME":"Waters ACQUITY UPLC BEH HILIC (150 x 2.1mm,1.7um)","SOLVENT_A":"Water with 0.1% formic acid","SOLVENT_B":"Acetonitrile with 0.1% formic acid","FLOW_GRADIENT":"Linear 45-70%A","FLOW_RATE":"0.4mL/min","COLUMN_TEMPERATURE":"40"},

"ANALYSIS":{"ANALYSIS_TYPE":"MS"},

"MS":{"INSTRUMENT_NAME":"Agilent 6530 QTOF","INSTRUMENT_TYPE":"QTOF","MS_TYPE":"ESI","ION_MODE":"POSITIVE","MS_COMMENTS":"Mass Hunter to acquire data. Processed with msconvert and mzMine. Annotation with SIRIUS software.","MS_RESULTS_FILE":"ST002723_AN004414_Results.txt UNITS:area Has m/z:Yes Has RT:Yes RT units:Minutes"}

}