{
"METABOLOMICS WORKBENCH":{"STUDY_ID":"ST002138","ANALYSIS_ID":"AN003499","VERSION":"1","CREATED_ON":"April 13, 2022, 6:30 pm"},

"PROJECT":{"PROJECT_TITLE":"Gastrolobium bilobum LC-MS/MS analysis","PROJECT_SUMMARY":"This study was carried out to investigate metabolism and possible routes of synthesis of fluoroacetate.","INSTITUTE":"UC Davis","LAST_NAME":"Folz","FIRST_NAME":"Jacob","ADDRESS":"1 Shields Ave","EMAIL":"jfolz@ucdavis.edu","PHONE":"7155636311"},

"STUDY":{"STUDY_TITLE":"Investigation of Gastrolobium bilobum metabolism in formation of fluoroacetate","STUDY_SUMMARY":"This data contains untargeted LC-MS/MS analysis of gastrolobium bilobum plants fed isotopically labeled precursors to investigate synthesis of fluoroacetate.","INSTITUTE":"UC Davis","LAST_NAME":"Folz","FIRST_NAME":"Jacob","ADDRESS":"1 Shields Ave","EMAIL":"jfolz@ucdavis.edu","PHONE":"7155636311"},

"SUBJECT":{"SUBJECT_TYPE":"Plant","SUBJECT_SPECIES":"Gastrolobium bilobum"},
"SUBJECT_SAMPLE_FACTORS":[
{
"Subject ID":"-",
"Sample ID":"Gastrolobium_HILICpos_01",
"Factors":{"Tissue Factor":"Bacteria Extract","Treatment Factor":"No Treatment"},
"Additional sample data":{"RAW_FILE_NAME":"HILICpos_ISO031322_4FThigh_01.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Gastrolobium_HILICpos_02",
"Factors":{"Tissue Factor":"Gastrolobium Leaf","Treatment Factor":"FE 100uM NaF"},
"Additional sample data":{"RAW_FILE_NAME":"HILICpos_ISO031322_IsTr_01.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Gastrolobium_HILICpos_03",
"Factors":{"Tissue Factor":"Gastrolobium Leaf","Treatment Factor":"FE 100uM NaF"},
"Additional sample data":{"RAW_FILE_NAME":"HILICpos_ISO031322_IsTr_02.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Gastrolobium_HILICpos_04",
"Factors":{"Tissue Factor":"Gastrolobium Leaf","Treatment Factor":"FE 100uM NaF"},
"Additional sample data":{"RAW_FILE_NAME":"HILICpos_ISO031322_IsTr_03.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Gastrolobium_HILICpos_05",
"Factors":{"Tissue Factor":"Gastrolobium Leaf","Treatment Factor":"FE 100uM NaF"},
"Additional sample data":{"RAW_FILE_NAME":"HILICpos_ISO031322_IsTr_04.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Gastrolobium_HILICpos_06",
"Factors":{"Tissue Factor":"Gastrolobium Leaf","Treatment Factor":"FE 100uM NaF"},
"Additional sample data":{"RAW_FILE_NAME":"HILICpos_ISO031322_IsTr_06.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Gastrolobium_HILICpos_07",
"Factors":{"Tissue Factor":"Gastrolobium Leaf","Treatment Factor":"FE 100uM NaF"},
"Additional sample data":{"RAW_FILE_NAME":"HILICpos_ISO031322_IsTr_07.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Gastrolobium_HILICpos_08",
"Factors":{"Tissue Factor":"Gastrolobium Leaf","Treatment Factor":"FE 100uM NaF"},
"Additional sample data":{"RAW_FILE_NAME":"HILICpos_ISO031322_IsTr_08.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Gastrolobium_HILICpos_09",
"Factors":{"Tissue Factor":"Gastrolobium Leaf","Treatment Factor":"FE 100uM NaF"},
"Additional sample data":{"RAW_FILE_NAME":"HILICpos_ISO031322_IsTr_09.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Gastrolobium_HILICpos_10",
"Factors":{"Tissue Factor":"Gastrolobium Leaf","Treatment Factor":"FE 100uM NaF"},
"Additional sample data":{"RAW_FILE_NAME":"HILICpos_ISO031322_IsTr_10.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Gastrolobium_HILICpos_11",
"Factors":{"Tissue Factor":"Gastrolobium Leaf","Treatment Factor":"FE 100uM NaF"},
"Additional sample data":{"RAW_FILE_NAME":"HILICpos_ISO031322_IsTr_11.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Gastrolobium_HILICpos_12",
"Factors":{"Tissue Factor":"Gastrolobium Leaf","Treatment Factor":"FE 100uM NaF"},
"Additional sample data":{"RAW_FILE_NAME":"HILICpos_ISO031322_IsTr_12.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Gastrolobium_HILICpos_13",
"Factors":{"Tissue Factor":"Gastrolobium Leaf","Treatment Factor":"C13 Serine"},
"Additional sample data":{"RAW_FILE_NAME":"HILICpos_ISO031322_IsTr_13.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Gastrolobium_HILICpos_14",
"Factors":{"Tissue Factor":"Gastrolobium Leaf","Treatment Factor":"C13 Acetate"},
"Additional sample data":{"RAW_FILE_NAME":"HILICpos_ISO031322_IsTr_14.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Gastrolobium_HILICpos_15",
"Factors":{"Tissue Factor":"Gastrolobium Leaf","Treatment Factor":"No Treatment"},
"Additional sample data":{"RAW_FILE_NAME":"HILICpos_ISO031322_IsTr_15.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Gastrolobium_HILICpos_16",
"Factors":{"Tissue Factor":"Gastrolobium Leaf","Treatment Factor":"C13 Adenosine"},
"Additional sample data":{"RAW_FILE_NAME":"HILICpos_ISO031322_IsTr_17.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Gastrolobium_HILICpos_17",
"Factors":{"Tissue Factor":"Gastrolobium Leaf","Treatment Factor":"C13 Adenosine"},
"Additional sample data":{"RAW_FILE_NAME":"HILICpos_ISO031322_IsTr_18.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Gastrolobium_HILICpos_18",
"Factors":{"Tissue Factor":"Gastrolobium Leaf","Treatment Factor":"No Treatment"},
"Additional sample data":{"RAW_FILE_NAME":"HILICpos_ISO031322_IsTr_19.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Gastrolobium_HILICpos_19",
"Factors":{"Tissue Factor":"Gastrolobium Leaf","Treatment Factor":"C13 Adenosine"},
"Additional sample data":{"RAW_FILE_NAME":"HILICpos_ISO031322_IsTr_20.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Gastrolobium_HILICpos_20",
"Factors":{"Tissue Factor":"Gastrolobium Leaf","Treatment Factor":"C13 Acetate"},
"Additional sample data":{"RAW_FILE_NAME":"HILICpos_ISO031322_IsTr_21.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Gastrolobium_HILICpos_21",
"Factors":{"Tissue Factor":"Gastrolobium Leaf","Treatment Factor":"C13 Serine"},
"Additional sample data":{"RAW_FILE_NAME":"HILICpos_ISO031322_IsTr_22.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Gastrolobium_HILICpos_22",
"Factors":{"Tissue Factor":"Gastrolobium Leaf","Treatment Factor":"C13 Acetate"},
"Additional sample data":{"RAW_FILE_NAME":"HILICpos_ISO031322_IsTr_23.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Gastrolobium_HILICpos_23",
"Factors":{"Tissue Factor":"Method Blank","Treatment Factor":"No Treatment"},
"Additional sample data":{"RAW_FILE_NAME":"HILICpos_ISO031322_mtdBlnk_01.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Gastrolobium_HILICpos_24",
"Factors":{"Tissue Factor":"Method Blank","Treatment Factor":"No Treatment"},
"Additional sample data":{"RAW_FILE_NAME":"HILICpos_ISO031322_mtdBlnk_02.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Gastrolobium_HILICpos_25",
"Factors":{"Tissue Factor":"Method Blank","Treatment Factor":"No Treatment"},
"Additional sample data":{"RAW_FILE_NAME":"HILICpos_ISO031322_mtdBlnk_03.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Gastrolobium_HILICpos_26",
"Factors":{"Tissue Factor":"Method Blank","Treatment Factor":"No Treatment"},
"Additional sample data":{"RAW_FILE_NAME":"HILICpos_ISO031322_mtdBlnk_04.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Gastrolobium_HILICpos_27",
"Factors":{"Tissue Factor":"Method Blank","Treatment Factor":"No Treatment"},
"Additional sample data":{"RAW_FILE_NAME":"HILICpos_ISO031322_mtdBlnk_05.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Gastrolobium_HILICpos_28",
"Factors":{"Tissue Factor":"Standard Curve","Treatment Factor":"0 ng/ml Standards"},
"Additional sample data":{"RAW_FILE_NAME":"HILICpos_ISO031322_NeatStndCrv_01.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Gastrolobium_HILICpos_29",
"Factors":{"Tissue Factor":"Standard Curve","Treatment Factor":"5 ng/ml Standards"},
"Additional sample data":{"RAW_FILE_NAME":"HILICpos_ISO031322_NeatStndCrv_02.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Gastrolobium_HILICpos_30",
"Factors":{"Tissue Factor":"Standard Curve","Treatment Factor":"25 ng/ml Standards"},
"Additional sample data":{"RAW_FILE_NAME":"HILICpos_ISO031322_NeatStndCrv_03.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Gastrolobium_HILICpos_31",
"Factors":{"Tissue Factor":"Standard Curve","Treatment Factor":"100 ng/ml Standards"},
"Additional sample data":{"RAW_FILE_NAME":"HILICpos_ISO031322_NeatStndCrv_04.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Gastrolobium_HILICpos_32",
"Factors":{"Tissue Factor":"Standard Curve","Treatment Factor":"250 ng/ml Standards"},
"Additional sample data":{"RAW_FILE_NAME":"HILICpos_ISO031322_NeatStndCrv_05.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Gastrolobium_HILICpos_33",
"Factors":{"Tissue Factor":"Pooled Sample","Treatment Factor":"No Treatment"},
"Additional sample data":{"RAW_FILE_NAME":"HILICpos_ISO031322_pQC_01.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Gastrolobium_HILICpos_34",
"Factors":{"Tissue Factor":"Pooled Sample","Treatment Factor":"No Treatment"},
"Additional sample data":{"RAW_FILE_NAME":"HILICpos_ISO031322_pQC_02.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Gastrolobium_HILICpos_35",
"Factors":{"Tissue Factor":"Pooled Sample","Treatment Factor":"No Treatment"},
"Additional sample data":{"RAW_FILE_NAME":"HILICpos_ISO031322_pQC_03.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Gastrolobium_HILICpos_36",
"Factors":{"Tissue Factor":"Pooled Sample","Treatment Factor":"No Treatment"},
"Additional sample data":{"RAW_FILE_NAME":"HILICpos_ISO031322_pQC_04.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Gastrolobium_HILICpos_37",
"Factors":{"Tissue Factor":"Gastrolobium Root","Treatment Factor":"No Treatment"},
"Additional sample data":{"RAW_FILE_NAME":"HILICpos_ISO031322_RNA_01.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Gastrolobium_HILICpos_38",
"Factors":{"Tissue Factor":"Gastrolobium Root","Treatment Factor":"No Treatment"},
"Additional sample data":{"RAW_FILE_NAME":"HILICpos_ISO031322_RNA_02.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Gastrolobium_HILICpos_39",
"Factors":{"Tissue Factor":"Gastrolobium Root","Treatment Factor":"No Treatment"},
"Additional sample data":{"RAW_FILE_NAME":"HILICpos_ISO031322_RNA_03.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Gastrolobium_HILICpos_40",
"Factors":{"Tissue Factor":"Gastrolobium Stem","Treatment Factor":"No Treatment"},
"Additional sample data":{"RAW_FILE_NAME":"HILICpos_ISO031322_RNA_04.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Gastrolobium_HILICpos_41",
"Factors":{"Tissue Factor":"Gastrolobium Stem","Treatment Factor":"No Treatment"},
"Additional sample data":{"RAW_FILE_NAME":"HILICpos_ISO031322_RNA_05.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Gastrolobium_HILICpos_42",
"Factors":{"Tissue Factor":"Gastrolobium Stem","Treatment Factor":"No Treatment"},
"Additional sample data":{"RAW_FILE_NAME":"HILICpos_ISO031322_RNA_06.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Gastrolobium_HILICpos_43",
"Factors":{"Tissue Factor":"Gastrolobium Top Leaf","Treatment Factor":"No Treatment"},
"Additional sample data":{"RAW_FILE_NAME":"HILICpos_ISO031322_RNA_07.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Gastrolobium_HILICpos_44",
"Factors":{"Tissue Factor":"Gastrolobium Top Leaf","Treatment Factor":"No Treatment"},
"Additional sample data":{"RAW_FILE_NAME":"HILICpos_ISO031322_RNA_08.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Gastrolobium_HILICpos_45",
"Factors":{"Tissue Factor":"Gastrolobium Top Leaf","Treatment Factor":"No Treatment"},
"Additional sample data":{"RAW_FILE_NAME":"HILICpos_ISO031322_RNA_09.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Gastrolobium_HILICpos_46",
"Factors":{"Tissue Factor":"Gastrolobium Bottom Leaf","Treatment Factor":"No Treatment"},
"Additional sample data":{"RAW_FILE_NAME":"HILICpos_ISO031322_RNA_10.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Gastrolobium_HILICpos_47",
"Factors":{"Tissue Factor":"Gastrolobium Bottom Leaf","Treatment Factor":"No Treatment"},
"Additional sample data":{"RAW_FILE_NAME":"HILICpos_ISO031322_RNA_11.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Gastrolobium_HILICpos_48",
"Factors":{"Tissue Factor":"Gastrolobium Bottom Leaf","Treatment Factor":"No Treatment"},
"Additional sample data":{"RAW_FILE_NAME":"HILICpos_ISO031322_RNA_12.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Gastrolobium_HILICpos_49",
"Factors":{"Tissue Factor":"Gastrolobium Leaf","Treatment Factor":"No Treatment"},
"Additional sample data":{"RAW_FILE_NAME":"HILICpos_ISO031322_RNA_13.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Gastrolobium_HILICpos_50",
"Factors":{"Tissue Factor":"Gastrolobium Leaf","Treatment Factor":"No Treatment"},
"Additional sample data":{"RAW_FILE_NAME":"HILICpos_ISO031322_RNA_14.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Gastrolobium_HILICpos_51",
"Factors":{"Tissue Factor":"Gastrolobium Leaf","Treatment Factor":"10.7 ng/ml Fluoroacetate spiked"},
"Additional sample data":{"RAW_FILE_NAME":"HILICpos_ISO031322_RNA_15.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Gastrolobium_HILICpos_52",
"Factors":{"Tissue Factor":"Gastrolobium Leaf","Treatment Factor":"10.7 ng/ml Fluoroacetate spiked"},
"Additional sample data":{"RAW_FILE_NAME":"HILICpos_ISO031322_RNA_16.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Gastrolobium_HILICpos_53",
"Factors":{"Tissue Factor":"Gastrolobium Leaf","Treatment Factor":"35.7 ng/ml Fluoroacetate spiked"},
"Additional sample data":{"RAW_FILE_NAME":"HILICpos_ISO031322_RNA_17.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Gastrolobium_HILICpos_54",
"Factors":{"Tissue Factor":"Gastrolobium Leaf","Treatment Factor":"35.7 ng/ml Fluoroacetate spiked"},
"Additional sample data":{"RAW_FILE_NAME":"HILICpos_ISO031322_RNA_18.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Gastrolobium_HILICpos_55",
"Factors":{"Tissue Factor":"Gastrolobium Leaf","Treatment Factor":"107.1 ng/ml Fluoroacetate spiked"},
"Additional sample data":{"RAW_FILE_NAME":"HILICpos_ISO031322_RNA_19.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Gastrolobium_HILICpos_56",
"Factors":{"Tissue Factor":"Gastrolobium Leaf","Treatment Factor":"107.1 ng/ml Fluoroacetate spiked"},
"Additional sample data":{"RAW_FILE_NAME":"HILICpos_ISO031322_RNA_20.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Gastrolobium_HILICpos_57",
"Factors":{"Tissue Factor":"Gastrolobium Leaf","Treatment Factor":"357.1 ng/ml Fluoroacetate spiked"},
"Additional sample data":{"RAW_FILE_NAME":"HILICpos_ISO031322_RNA_21.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Gastrolobium_HILICpos_58",
"Factors":{"Tissue Factor":"Gastrolobium Leaf","Treatment Factor":"357.1 ng/ml Fluoroacetate spiked"},
"Additional sample data":{"RAW_FILE_NAME":"HILICpos_ISO031322_RNA_22.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Gastrolobium_HILICpos_59",
"Factors":{"Tissue Factor":"Pooled Sample","Treatment Factor":"No Treatment"},
"Additional sample data":{"RAW_FILE_NAME":"ID_01_pos_post.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Gastrolobium_HILICpos_60",
"Factors":{"Tissue Factor":"Pooled Sample","Treatment Factor":"No Treatment"},
"Additional sample data":{"RAW_FILE_NAME":"ID_02_pos_post.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Gastrolobium_HILICpos_61",
"Factors":{"Tissue Factor":"Pooled Sample","Treatment Factor":"No Treatment"},
"Additional sample data":{"RAW_FILE_NAME":"ID_03_pos_post.raw"}
}
],
"COLLECTION":{"COLLECTION_SUMMARY":"Gastrolobium bilobum plants were grown in the presence or absence of sodium fluoride and were also fed different isotopically labeled precursors. Different tissues were collected to determine tissue specific concentration of fluoroacetate","SAMPLE_TYPE":"Plant"},

"TREATMENT":{"TREATMENT_SUMMARY":"Different tissues were collected from plants and different chemical exposures were applied to different plants."},

"SAMPLEPREP":{"SAMPLEPREP_SUMMARY":"Samples were extracted using acetonitrile and MTBE in biphasic extraction to reduce the amount of lipids in sample. Aqueous phase was analyzed."},

"CHROMATOGRAPHY":{"CHROMATOGRAPHY_SUMMARY":"HILIC analysis","CHROMATOGRAPHY_TYPE":"HILIC","INSTRUMENT_NAME":"Thermo Vanquish","COLUMN_NAME":"Waters Acquity BEH C18 (50 x 2.1mm, 1.7 um)"},

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

"MS":{"INSTRUMENT_NAME":"Thermo Orbitrap Exploris 240","INSTRUMENT_TYPE":"Orbitrap","MS_TYPE":"ESI","ION_MODE":"POSITIVE","MS_COMMENTS":"Most data files contain only MS1 data, with iterative exclusion MS/MS collected on pooled samples. Data was processed in MSDIAL v. 4.8"},

"MS_METABOLITE_DATA":{
"Units":"Peak Area",

"Data":[{"Metabolite":"Inosine","Gastrolobium_HILICpos_01":"0","Gastrolobium_HILICpos_02":"578806","Gastrolobium_HILICpos_03":"53831","Gastrolobium_HILICpos_04":"79849","Gastrolobium_HILICpos_05":"111631","Gastrolobium_HILICpos_06":"81245","Gastrolobium_HILICpos_07":"88079","Gastrolobium_HILICpos_08":"79456","Gastrolobium_HILICpos_09":"1961702","Gastrolobium_HILICpos_10":"73343","Gastrolobium_HILICpos_11":"68852","Gastrolobium_HILICpos_12":"52729","Gastrolobium_HILICpos_13":"37126","Gastrolobium_HILICpos_14":"111010","Gastrolobium_HILICpos_15":"77300","Gastrolobium_HILICpos_16":"109145","Gastrolobium_HILICpos_17":"164290","Gastrolobium_HILICpos_18":"75581","Gastrolobium_HILICpos_19":"107450","Gastrolobium_HILICpos_20":"241675","Gastrolobium_HILICpos_21":"52688","Gastrolobium_HILICpos_22":"17000","Gastrolobium_HILICpos_23":"0","Gastrolobium_HILICpos_24":"4489","Gastrolobium_HILICpos_25":"0","Gastrolobium_HILICpos_26":"0","Gastrolobium_HILICpos_27":"0","Gastrolobium_HILICpos_28":"0","Gastrolobium_HILICpos_29":"0","Gastrolobium_HILICpos_30":"0","Gastrolobium_HILICpos_31":"0","Gastrolobium_HILICpos_32":"0","Gastrolobium_HILICpos_33":"86098","Gastrolobium_HILICpos_34":"107998","Gastrolobium_HILICpos_35":"82385","Gastrolobium_HILICpos_36":"98168","Gastrolobium_HILICpos_37":"0","Gastrolobium_HILICpos_38":"0","Gastrolobium_HILICpos_39":"0","Gastrolobium_HILICpos_40":"0","Gastrolobium_HILICpos_41":"0","Gastrolobium_HILICpos_42":"0","Gastrolobium_HILICpos_43":"0","Gastrolobium_HILICpos_44":"0","Gastrolobium_HILICpos_45":"0","Gastrolobium_HILICpos_46":"0","Gastrolobium_HILICpos_47":"0","Gastrolobium_HILICpos_48":"0","Gastrolobium_HILICpos_49":"0","Gastrolobium_HILICpos_50":"0","Gastrolobium_HILICpos_51":"0","Gastrolobium_HILICpos_52":"0","Gastrolobium_HILICpos_53":"0","Gastrolobium_HILICpos_54":"0","Gastrolobium_HILICpos_55":"0","Gastrolobium_HILICpos_56":"0","Gastrolobium_HILICpos_57":"0","Gastrolobium_HILICpos_58":"0","Gastrolobium_HILICpos_59":"0","Gastrolobium_HILICpos_60":"0","Gastrolobium_HILICpos_61":"0"},{"Metabolite":"Adenosine 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"Metabolites":[{"Metabolite":"Inosine","average m/z":"269.08807","average retention time minutes":"1.631","INCHIKEY":"UGQMRVRMYYASKQ-KQYNXXCUSA-N","SMILES":"C1=NC2=C(C(=O)N1)N=CN2C3C(C(C(O3)CO)O)O"},{"Metabolite":"Adenosine Riboside","average m/z":"268.10397","average retention time minutes":"1.131","INCHIKEY":"OIRDTQYFTABQOQ-KQYNXXCUSA-N","SMILES":"C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)CO)O)O)N"},{"Metabolite":"Glutamic Acid","average m/z":"146.04588","average retention time minutes":"2.169","INCHIKEY":"WHUUTDBJXJRKMK-VKHMYHEASA-N","SMILES":"C(CC(=O)O)C(C(=O)O)N"},{"Metabolite":"Azelaic Acid","average m/z":"187.09749","average retention time minutes":"0.259","INCHIKEY":"BDJRBEYXGGNYIS-UHFFFAOYSA-N","SMILES":"C(CCCC(=O)O)CCCC(=O)O"},{"Metabolite":"N-acetyl-arginine","average m/z":"217.12949","average retention time minutes":"1.996","INCHIKEY":"SNEIUMQYRCDYCH-LURJTMIESA-N","SMILES":"CC(=O)NC(CCCN=C(N)N)C(=O)O"}]
}

}