{
"METABOLOMICS WORKBENCH":{"STUDY_ID":"ST000497","ANALYSIS_ID":"AN000764","VERSION":"1","CREATED_ON":"November 30, 2016, 8:36 am"},

"PROJECT":{"PROJECT_TITLE":"Metabolomic analysis of Cucumber mosaic virus-infected tobacco plants","PROJECT_TYPE":"LC-MS & GC-MS analysis","PROJECT_SUMMARY":"CMV-infected-Nicotiana tabacum plant with six distinct symptoms, i.e. vein clearing, mosaic, chlorosis, partial green recovery, complete green recovery and secondary mosaic were analyzed by LC-MS and GC-MS.","INSTITUTE":"Chinese Academy of Inspection and Quarantine","DEPARTMENT":"Institute of Plant Quarantine of China","LAST_NAME":"Lei","FIRST_NAME":"Rong","ADDRESS":"Rong Hua Nan Lu 11,, Yizhuang, Beijing, Beijing, 100176, China","EMAIL":"leirong2009@gmail.com","PHONE":"86-10-53897620","FUNDING_SOURCE":"National Natural Science Foundation of China (21305131)"},

"STUDY":{"STUDY_TITLE":"M-CMV infected Nicotiana tabacum","STUDY_TYPE":"LC-MS & GC-MS","STUDY_SUMMARY":"M-CMV-infected N. tabacum plants with six symptoms (vein clearing, mosaic, chlorosis, partial green recovery, complete green recovery and secondary mosaic) were analyzed by LC-MS & GC-MS. In addition, the pathogenesis biomarker might be found by this untargeted global metabolomic analysis.","INSTITUTE":"Chinese Academy of Inspection and Quarantine","DEPARTMENT":"Institute of Plant Quarantine of China","LAST_NAME":"Lei","FIRST_NAME":"Rong","ADDRESS":"Rong Hua Nan Lu 11, Yi Zhuang, Beijing, China","EMAIL":"leirong2009@gmail.com","PHONE":"86-10-53897620"},

"SUBJECT":{"SUBJECT_TYPE":"LC-MS & GC-MS","SUBJECT_SPECIES":"Nicotiana tabacum","TAXONOMY_ID":"4097"},
"SUBJECT_SAMPLE_FACTORS":[
{
"Subject ID":"Plant",
"Sample ID":"V-11",
"Factors":{"Treatment":"Infected","Sample_description":"vein clearing"},
"Additional sample data":{"Subject_species":"Nicotiana tabacum","Time_Point":"1","Run_Day":"1"}
},
{
"Subject ID":"Plant",
"Sample ID":"V-12",
"Factors":{"Treatment":"Infected","Sample_description":"vein clearing"},
"Additional sample data":{"Subject_species":"Nicotiana tabacum","Time_Point":"1","Run_Day":"1"}
},
{
"Subject ID":"Plant",
"Sample ID":"V-21",
"Factors":{"Treatment":"Infected","Sample_description":"vein clearing"},
"Additional sample data":{"Subject_species":"Nicotiana tabacum","Time_Point":"1","Run_Day":"2"}
},
{
"Subject ID":"Plant",
"Sample ID":"V-22",
"Factors":{"Treatment":"Infected","Sample_description":"vein clearing"},
"Additional sample data":{"Subject_species":"Nicotiana tabacum","Time_Point":"1","Run_Day":"2"}
},
{
"Subject ID":"Plant",
"Sample ID":"M-11",
"Factors":{"Treatment":"Infected","Sample_description":"mosaic"},
"Additional sample data":{"Subject_species":"Nicotiana tabacum","Time_Point":"2","Run_Day":"1"}
},
{
"Subject ID":"Plant",
"Sample ID":"M-12",
"Factors":{"Treatment":"Infected","Sample_description":"mosaic"},
"Additional sample data":{"Subject_species":"Nicotiana tabacum","Time_Point":"2","Run_Day":"1"}
},
{
"Subject ID":"Plant",
"Sample ID":"M-21",
"Factors":{"Treatment":"Infected","Sample_description":"mosaic"},
"Additional sample data":{"Subject_species":"Nicotiana tabacum","Time_Point":"2","Run_Day":"2"}
},
{
"Subject ID":"Plant",
"Sample ID":"M-22",
"Factors":{"Treatment":"Infected","Sample_description":"mosaic"},
"Additional sample data":{"Subject_species":"Nicotiana tabacum","Time_Point":"2","Run_Day":"2"}
},
{
"Subject ID":"Plant",
"Sample ID":"W-11",
"Factors":{"Treatment":"Infected","Sample_description":"white chlorosis"},
"Additional sample data":{"Subject_species":"Nicotiana tabacum","Time_Point":"3","Run_Day":"1"}
},
{
"Subject ID":"Plant",
"Sample ID":"W-12",
"Factors":{"Treatment":"Infected","Sample_description":"white chlorosis"},
"Additional sample data":{"Subject_species":"Nicotiana tabacum","Time_Point":"3","Run_Day":"1"}
},
{
"Subject ID":"Plant",
"Sample ID":"W-21",
"Factors":{"Treatment":"Infected","Sample_description":"white chlorosis"},
"Additional sample data":{"Subject_species":"Nicotiana tabacum","Time_Point":"3","Run_Day":"2"}
},
{
"Subject ID":"Plant",
"Sample ID":"W-22",
"Factors":{"Treatment":"Infected","Sample_description":"white chlorosis"},
"Additional sample data":{"Subject_species":"Nicotiana tabacum","Time_Point":"3","Run_Day":"2"}
},
{
"Subject ID":"Plant",
"Sample ID":"RI-11",
"Factors":{"Treatment":"Infected","Sample_description":"patial green recovery"},
"Additional sample data":{"Subject_species":"Nicotiana tabacum","Time_Point":"4","Run_Day":"1"}
},
{
"Subject ID":"Plant",
"Sample ID":"RI-12",
"Factors":{"Treatment":"Infected","Sample_description":"patial green recovery"},
"Additional sample data":{"Subject_species":"Nicotiana tabacum","Time_Point":"4","Run_Day":"1"}
},
{
"Subject ID":"Plant",
"Sample ID":"RI-21",
"Factors":{"Treatment":"Infected","Sample_description":"patial green recovery"},
"Additional sample data":{"Subject_species":"Nicotiana tabacum","Time_Point":"4","Run_Day":"2"}
},
{
"Subject ID":"Plant",
"Sample ID":"RI-22",
"Factors":{"Treatment":"Infected","Sample_description":"patial green recovery"},
"Additional sample data":{"Subject_species":"Nicotiana tabacum","Time_Point":"4","Run_Day":"2"}
},
{
"Subject ID":"Plant",
"Sample ID":"RF-11",
"Factors":{"Treatment":"Infected","Sample_description":"complete green recovery"},
"Additional sample data":{"Subject_species":"Nicotiana tabacum","Time_Point":"5","Run_Day":"1"}
},
{
"Subject ID":"Plant",
"Sample ID":"RF-12",
"Factors":{"Treatment":"Infected","Sample_description":"complete green recovery"},
"Additional sample data":{"Subject_species":"Nicotiana tabacum","Time_Point":"5","Run_Day":"1"}
},
{
"Subject ID":"Plant",
"Sample ID":"RF-21",
"Factors":{"Treatment":"Infected","Sample_description":"complete green recovery"},
"Additional sample data":{"Subject_species":"Nicotiana tabacum","Time_Point":"5","Run_Day":"2"}
},
{
"Subject ID":"Plant",
"Sample ID":"RF-22",
"Factors":{"Treatment":"Infected","Sample_description":"complete green recovery"},
"Additional sample data":{"Subject_species":"Nicotiana tabacum","Time_Point":"5","Run_Day":"2"}
},
{
"Subject ID":"Plant",
"Sample ID":"ML-11",
"Factors":{"Treatment":"Infected","Sample_description":"secondary mosaic"},
"Additional sample data":{"Subject_species":"Nicotiana tabacum","Time_Point":"6","Run_Day":"1"}
},
{
"Subject ID":"Plant",
"Sample ID":"ML-12",
"Factors":{"Treatment":"Infected","Sample_description":"secondary mosaic"},
"Additional sample data":{"Subject_species":"Nicotiana tabacum","Time_Point":"6","Run_Day":"1"}
},
{
"Subject ID":"Plant",
"Sample ID":"ML-21",
"Factors":{"Treatment":"Infected","Sample_description":"secondary mosaic"},
"Additional sample data":{"Subject_species":"Nicotiana tabacum","Time_Point":"6","Run_Day":"2"}
},
{
"Subject ID":"Plant",
"Sample ID":"ML-22",
"Factors":{"Treatment":"Infected","Sample_description":"secondary mosaic"},
"Additional sample data":{"Subject_species":"Nicotiana tabacum","Time_Point":"6","Run_Day":"2"}
},
{
"Subject ID":"Plant",
"Sample ID":"VC-11",
"Factors":{"Treatment":"control","Sample_description":"-"},
"Additional sample data":{"Subject_species":"Nicotiana tabacum","Time_Point":"1","Run_Day":"1"}
},
{
"Subject ID":"Plant",
"Sample ID":"VC-12",
"Factors":{"Treatment":"control","Sample_description":"-"},
"Additional sample data":{"Subject_species":"Nicotiana tabacum","Time_Point":"1","Run_Day":"1"}
},
{
"Subject ID":"Plant",
"Sample ID":"VC-21",
"Factors":{"Treatment":"control","Sample_description":"-"},
"Additional sample data":{"Subject_species":"Nicotiana tabacum","Time_Point":"1","Run_Day":"2"}
},
{
"Subject ID":"Plant",
"Sample ID":"VC-22",
"Factors":{"Treatment":"control","Sample_description":"-"},
"Additional sample data":{"Subject_species":"Nicotiana tabacum","Time_Point":"1","Run_Day":"2"}
},
{
"Subject ID":"Plant",
"Sample ID":"MC-11",
"Factors":{"Treatment":"control","Sample_description":"-"},
"Additional sample data":{"Subject_species":"Nicotiana tabacum","Time_Point":"2","Run_Day":"1"}
},
{
"Subject ID":"Plant",
"Sample ID":"MC-12",
"Factors":{"Treatment":"control","Sample_description":"-"},
"Additional sample data":{"Subject_species":"Nicotiana tabacum","Time_Point":"2","Run_Day":"1"}
},
{
"Subject ID":"Plant",
"Sample ID":"MC-21",
"Factors":{"Treatment":"control","Sample_description":"-"},
"Additional sample data":{"Subject_species":"Nicotiana tabacum","Time_Point":"2","Run_Day":"2"}
},
{
"Subject ID":"Plant",
"Sample ID":"MC-22",
"Factors":{"Treatment":"control","Sample_description":"-"},
"Additional sample data":{"Subject_species":"Nicotiana tabacum","Time_Point":"2","Run_Day":"2"}
},
{
"Subject ID":"Plant",
"Sample ID":"WC-11",
"Factors":{"Treatment":"control","Sample_description":"-"},
"Additional sample data":{"Subject_species":"Nicotiana tabacum","Time_Point":"1","Run_Day":"1"}
},
{
"Subject ID":"Plant",
"Sample ID":"WC-12",
"Factors":{"Treatment":"control","Sample_description":"-"},
"Additional sample data":{"Subject_species":"Nicotiana tabacum","Time_Point":"1","Run_Day":"1"}
},
{
"Subject ID":"Plant",
"Sample ID":"WC-21",
"Factors":{"Treatment":"control","Sample_description":"-"},
"Additional sample data":{"Subject_species":"Nicotiana tabacum","Time_Point":"1","Run_Day":"2"}
},
{
"Subject ID":"Plant",
"Sample ID":"WC-22",
"Factors":{"Treatment":"control","Sample_description":"-"},
"Additional sample data":{"Subject_species":"Nicotiana tabacum","Time_Point":"1","Run_Day":"2"}
},
{
"Subject ID":"Plant",
"Sample ID":"RIC-11",
"Factors":{"Treatment":"control","Sample_description":"-"},
"Additional sample data":{"Subject_species":"Nicotiana tabacum","Time_Point":"2","Run_Day":"1"}
},
{
"Subject ID":"Plant",
"Sample ID":"RIC-12",
"Factors":{"Treatment":"control","Sample_description":"-"},
"Additional sample data":{"Subject_species":"Nicotiana tabacum","Time_Point":"2","Run_Day":"1"}
},
{
"Subject ID":"Plant",
"Sample ID":"RIC-21",
"Factors":{"Treatment":"control","Sample_description":"-"},
"Additional sample data":{"Subject_species":"Nicotiana tabacum","Time_Point":"2","Run_Day":"2"}
},
{
"Subject ID":"Plant",
"Sample ID":"RIC-22",
"Factors":{"Treatment":"control","Sample_description":"-"},
"Additional sample data":{"Subject_species":"Nicotiana tabacum","Time_Point":"2","Run_Day":"2"}
},
{
"Subject ID":"Plant",
"Sample ID":"RFC-11",
"Factors":{"Treatment":"control","Sample_description":"-"},
"Additional sample data":{"Subject_species":"Nicotiana tabacum","Time_Point":"1","Run_Day":"1"}
},
{
"Subject ID":"Plant",
"Sample ID":"RFC-12",
"Factors":{"Treatment":"control","Sample_description":"-"},
"Additional sample data":{"Subject_species":"Nicotiana tabacum","Time_Point":"1","Run_Day":"1"}
},
{
"Subject ID":"Plant",
"Sample ID":"RFC-21",
"Factors":{"Treatment":"control","Sample_description":"-"},
"Additional sample data":{"Subject_species":"Nicotiana tabacum","Time_Point":"1","Run_Day":"2"}
},
{
"Subject ID":"Plant",
"Sample ID":"RFC-22",
"Factors":{"Treatment":"control","Sample_description":"-"},
"Additional sample data":{"Subject_species":"Nicotiana tabacum","Time_Point":"1","Run_Day":"2"}
},
{
"Subject ID":"Plant",
"Sample ID":"MLC-11",
"Factors":{"Treatment":"control","Sample_description":"-"},
"Additional sample data":{"Subject_species":"Nicotiana tabacum","Time_Point":"2","Run_Day":"1"}
},
{
"Subject ID":"Plant",
"Sample ID":"MLC-12",
"Factors":{"Treatment":"control","Sample_description":"-"},
"Additional sample data":{"Subject_species":"Nicotiana tabacum","Time_Point":"2","Run_Day":"1"}
},
{
"Subject ID":"Plant",
"Sample ID":"MLC-21",
"Factors":{"Treatment":"control","Sample_description":"-"},
"Additional sample data":{"Subject_species":"Nicotiana tabacum","Time_Point":"2","Run_Day":"2"}
},
{
"Subject ID":"Plant",
"Sample ID":"MLC-22",
"Factors":{"Treatment":"control","Sample_description":"-"},
"Additional sample data":{"Subject_species":"Nicotiana tabacum","Time_Point":"2","Run_Day":"2"}
}
],
"COLLECTION":{"COLLECTION_SUMMARY":"LC-MS & GC-MS"},

"TREATMENT":{"TREATMENT_SUMMARY":"Nicotiana tabacum (White Burley) plants were inoculated by M-CMV infected plants."},

"SAMPLEPREP":{"SAMPLEPREP_SUMMARY":"Samples were prepared using the automated MicroLab STAR® system (Hamilton Company, Salt Lake City, UT). A 6-mg quantity of each lyophilized leaf sample was thawed on ice and extracted using the automated MicroLab STAR system in 400 ?L of methanol (LC-MS Ultra CHROMASOLV®, Riedel-de Ha?n) containing recovery standards. The samples were prepared using a proprietary series of organic and aqueous extractions to remove the protein fraction while maximizing the recovery of small molecules. The resulting extract was divided into two fractions; one for analysis by liquid chromatography (LC) and one for analysis by gas chromatography (GC). The samples were placed briefly on a TurboVap® (Zymark) to remove the organic solvent. Each sample was then frozen and dried under vacuum, followed by preparation for either LC/MS or GC/MS."},

"CHROMATOGRAPHY":{"CHROMATOGRAPHY_TYPE":"Reversed phase","INSTRUMENT_NAME":"Waters Acquity spectrometer","COLUMN_NAME":"Waters Acquity BEH C18 (100 x 2.1mm, 1.7um)"},

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

"MS":{"MS_COMMENTS":"-","INSTRUMENT_NAME":"Thermo LTQ","INSTRUMENT_TYPE":"Single quadrupole","MS_TYPE":"ESI","ION_MODE":"NEGATIVE"},

"MS_METABOLITE_DATA":{
"Units":"Normalized scale",

"Data":[false,false,false,false,false,false,false,false,false,false,false,false,false,false,false,false,false,false,false,false,false,false,false,false,false,false,false,false,false,false],

"Metabolites":[{"Metabolite":"1-linoleoylglycerol (1-monolinolein)","retention index":"6226","quantified m/z":"279.2","PubChem ID":"5283469","KEGG ID":""},{"Metabolite":"1-oleoylglycerophosphoglycerol*","retention index":"5586.8","quantified m/z":"509.5","PubChem ID":"","KEGG ID":""},{"Metabolite":"1-palmitoylglycerophosphate","retention index":"5752","quantified m/z":"409.3","PubChem ID":"6419701","KEGG ID":"C04036"},{"Metabolite":"1-palmitoylglycerophosphoethanolamine","retention index":"5940","quantified m/z":"452.3","PubChem ID":"9547069","KEGG ID":""},{"Metabolite":"1-palmitoylglycerophosphoglycerol*","retention index":"5549.7","quantified m/z":"483.4","PubChem ID":"3300276","KEGG ID":""},{"Metabolite":"1-palmitoylglycerophosphoinositol*","retention index":"5573","quantified m/z":"571.3","PubChem ID":"","KEGG ID":""},{"Metabolite":"13-HODE + 9-HODE","retention index":"5270","quantified m/z":"295.2","PubChem ID":"","KEGG ID":""},{"Metabolite":"2-hydroxydecanoate","retention index":"4826","quantified m/z":"187.2","PubChem ID":"21488","KEGG ID":""},{"Metabolite":"2-hydroxypalmitate","retention index":"5508","quantified m/z":"271.3","PubChem ID":"92836","KEGG ID":""},{"Metabolite":"2-isopropylmalate","retention index":"732","quantified m/z":"175.2","PubChem ID":"77","KEGG ID":"C02504"},{"Metabolite":"2-myristoylglycerol (2-monomyristin)","retention index":"5798","quantified m/z":"227.3","PubChem ID":"137938","KEGG ID":""},{"Metabolite":"3-butenylglucosinolate","retention index":"1634","quantified m/z":"372.2","PubChem ID":"","KEGG ID":""},{"Metabolite":"5-oxoproline","retention index":"744","quantified m/z":"128.2","PubChem ID":"7405","KEGG ID":"C01879"},{"Metabolite":"9,10-epoxystearate","retention index":"5386.6","quantified m/z":"297.4","PubChem ID":"15868","KEGG ID":""},{"Metabolite":"anthraniloyl-O-glucose","retention index":"2577","quantified m/z":"298.1","PubChem ID":"","KEGG ID":""},{"Metabolite":"azelate (nonanedioate)","retention index":"1322","quantified m/z":"187.2","PubChem ID":"2266","KEGG ID":"C08261"},{"Metabolite":"coumaroylquinate","retention index":"2395","quantified m/z":"337.2","PubChem ID":"","KEGG ID":"C10441"},{"Metabolite":"cytidine","retention index":"1351","quantified m/z":"242.1","PubChem ID":"6175","KEGG ID":"C00475"},{"Metabolite":"histidine","retention index":"757","quantified m/z":"154.1","PubChem ID":"","KEGG ID":"C00135"},{"Metabolite":"linoleate (18:2n6)","retention index":"5533","quantified m/z":"279.3","PubChem ID":"5280450","KEGG ID":"C01595"},{"Metabolite":"linolenate [alpha or gamma; (18:3n3 or 6)]","retention index":"5450","quantified m/z":"277.3","PubChem ID":"5280934","KEGG ID":"C06427"},{"Metabolite":"malonate (propanedioate)","retention index":"606","quantified m/z":"103.2","PubChem ID":"867","KEGG ID":"C00383"},{"Metabolite":"phosphoethanolamine","retention index":"644","quantified m/z":"140.1","PubChem ID":"","KEGG ID":"C00346"},{"Metabolite":"pyridoxate","retention index":"2210","quantified m/z":"182.1","PubChem ID":"6723","KEGG ID":"C00847"},{"Metabolite":"salidroside","retention index":"2528.2","quantified m/z":"299.2","PubChem ID":"159278","KEGG ID":""},{"Metabolite":"sebacate (decanedioate)","retention index":"1778","quantified m/z":"201.2","PubChem ID":"5192","KEGG ID":"C08277"},{"Metabolite":"sucrose","retention index":"875","quantified m/z":"341.2","PubChem ID":"5988","KEGG ID":"C00089"},{"Metabolite":"undecanedioate","retention index":"2376","quantified m/z":"215.1","PubChem ID":"15816","KEGG ID":""},{"Metabolite":"uridine","retention index":"1430","quantified m/z":"243.1","PubChem ID":"6029","KEGG ID":"C00299"},{"Metabolite":"valylleucine","retention index":"3301","quantified m/z":"229.3","PubChem ID":"352039","KEGG ID":""}]
}

}