{
"METABOLOMICS WORKBENCH":{"STUDY_ID":"ST003307","ANALYSIS_ID":"AN005418","PROJECT_ID":"PR002057","VERSION":"1","CREATED_ON":"July 10, 2024, 9:30 am"},

"PROJECT":{"PROJECT_TITLE":"Use of untargeted metabolomics for assessing soil from Panax ginseng that were leaf-sprayed with endo-borneol","PROJECT_SUMMARY":"To study the rhizosphere soil matabolism of 4-years Panax ginseng that wereleaf-sprayed with endo-borneol at different concentrations (0, 0.1 mg/L, and 100 mg/L) under field condition, liquid chromarography tandem mass spectrometry was used for examination. Each treatment is set with 6 replicates for assessing nontargeted metabolomics. The LC-MS/MS analysis was performed using a Thermo UHPLC-Q Exactive HF-X system equipped with an ACQUITY HSS T3 column. As a result, a total of 296 and 569 metabolites were identified in negative ion mode and positive mode, respectively.","INSTITUTE":"Yunnan University","DEPARTMENT":"School of Agriculture","LABORATORY":"State Key Laboratory for Conservation and Utilization of Bio-Resources in Yunnan","LAST_NAME":"Ji","FIRST_NAME":"Xing-Yu","ADDRESS":"Yuhua Road, Chenggong, Kunming, Yunnan Province, 650100, China","EMAIL":"xingyu.ji@hotmail.com","PHONE":"＋86-13354989110","FUNDING_SOURCE":"Natural Science Foundation of China","PROJECT_COMMENTS":"U23A20202","PUBLICATIONS":"still under review","CONTRIBUTORS":"Xing-Yu Ji, Shusheng Zhu"},

"STUDY":{"STUDY_TITLE":"Untargeted metabolomics of rhizosphere soil from 4-years Panax ginseng that was treated with endo-borneol under field condition","STUDY_SUMMARY":"To study the rhizosphere soil matabolism of 4-years Panax ginseng that were leaf-sprayed with endo-borneol at different concentrations (0, 0.1 mg/L, and 100 mg/L) under field condition, liquid chromarography tandem mass spectrometry was used for examination. Each treatment is set with 6 replicates for assessing nontargeted metabolomics. The LC-MS/MS analysis was performed using a Thermo UHPLC-Q Exactive HF-X system equipped with an ACQUITY HSS T3 column. As a result, a total of 296 and 569 metabolites were identified in negative ion mode and positive mode, respectively.","INSTITUTE":"Yunnan University","DEPARTMENT":"School of Agriculture","LABORATORY":"Key Laboratory of Agro-Biodiversity and Pest Management of Education Ministry of China","LAST_NAME":"Xing-Yu","FIRST_NAME":"Ji","ADDRESS":"Road Fengyuan, District Panlong, Kunming, Yunnan, China","EMAIL":"xingyu.ji@hotmail.com","PHONE":"＋86-13354989110"},

"SUBJECT":{"SUBJECT_TYPE":"Soil sample"},
"SUBJECT_SAMPLE_FACTORS":[
{
"Subject ID":"Control",
"Sample ID":"CK_1_pos",
"Factors":{"endo-borneol concentration":"0","Sample source":"soil"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"POS_Ge04JXY_CK_1.raw"}
},
{
"Subject ID":"Control",
"Sample ID":"CK_2_pos",
"Factors":{"endo-borneol concentration":"0","Sample source":"soil"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"POS_Ge04JXY_CK_2.raw"}
},
{
"Subject ID":"Control",
"Sample ID":"CK_3_pos",
"Factors":{"endo-borneol concentration":"0","Sample source":"soil"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"POS_Ge04JXY_CK_3.raw"}
},
{
"Subject ID":"Control",
"Sample ID":"CK_4_pos",
"Factors":{"endo-borneol concentration":"0","Sample source":"soil"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"POS_Ge04JXY_CK_4.raw"}
},
{
"Subject ID":"endo-borneol",
"Sample ID":"CK_5_pos",
"Factors":{"endo-borneol concentration":"0.1 mg/L","Sample source":"soil"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"POS_Ge04JXY_CK_5.raw"}
},
{
"Subject ID":"endo-borneol",
"Sample ID":"CK_6_pos",
"Factors":{"endo-borneol concentration":"0.1 mg/L","Sample source":"soil"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"POS_Ge04JXY_CK_6.raw"}
},
{
"Subject ID":"endo-borneol",
"Sample ID":"T3_1_pos",
"Factors":{"endo-borneol concentration":"0.1 mg/L","Sample source":"soil"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"POS_Ge04JXY_T3_1.raw"}
},
{
"Subject ID":"endo-borneol",
"Sample ID":"T3_2_pos",
"Factors":{"endo-borneol concentration":"0.1 mg/L","Sample source":"soil"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"POS_Ge04JXY_T3_2.raw"}
},
{
"Subject ID":"endo-borneol",
"Sample ID":"T3_3_pos",
"Factors":{"endo-borneol concentration":"0.1 mg/L","Sample source":"soil"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"POS_Ge04JXY_T3_3.raw"}
},
{
"Subject ID":"endo-borneol",
"Sample ID":"T3_4_pos",
"Factors":{"endo-borneol concentration":"0.1 mg/L","Sample source":"soil"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"POS_Ge04JXY_T3_4.raw"}
},
{
"Subject ID":"endo-borneol",
"Sample ID":"T3_5_pos",
"Factors":{"endo-borneol concentration":"0.1 mg/L","Sample source":"soil"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"POS_Ge04JXY_T3_5.raw"}
},
{
"Subject ID":"endo-borneol",
"Sample ID":"T3_6_pos",
"Factors":{"endo-borneol concentration":"0.1 mg/L","Sample source":"soil"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"POS_Ge04JXY_T3_6.raw"}
},
{
"Subject ID":"endo-borneol",
"Sample ID":"T7_1_pos",
"Factors":{"endo-borneol concentration":"100 mg/L","Sample source":"soil"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"POS_Ge04JXY_T7_1.raw"}
},
{
"Subject ID":"endo-borneol",
"Sample ID":"T7_2_pos",
"Factors":{"endo-borneol concentration":"100 mg/L","Sample source":"soil"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"POS_Ge04JXY_T7_2.raw"}
},
{
"Subject ID":"endo-borneol",
"Sample ID":"T7_3_pos",
"Factors":{"endo-borneol concentration":"100 mg/L","Sample source":"soil"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"POS_Ge04JXY_T7_3.raw"}
},
{
"Subject ID":"endo-borneol",
"Sample ID":"T7_4_pos",
"Factors":{"endo-borneol concentration":"100 mg/L","Sample source":"soil"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"POS_Ge04JXY_T7_4.raw"}
},
{
"Subject ID":"endo-borneol",
"Sample ID":"T7_5_pos",
"Factors":{"endo-borneol concentration":"100 mg/L","Sample source":"soil"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"POS_Ge04JXY_T7_5.raw"}
},
{
"Subject ID":"endo-borneol",
"Sample ID":"T7_6_pos",
"Factors":{"endo-borneol concentration":"100 mg/L","Sample source":"soil"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"POS_Ge04JXY_T7_6.raw"}
},
{
"Subject ID":"QC",
"Sample ID":"QC1_pos",
"Factors":{"endo-borneol concentration":"QC","Sample source":"soil"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"POS_Ge04JXY_QC01.raw"}
},
{
"Subject ID":"QC",
"Sample ID":"QC2_pos",
"Factors":{"endo-borneol concentration":"QC","Sample source":"soil"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"POS_Ge04JXY_QC02.raw"}
},
{
"Subject ID":"QC",
"Sample ID":"QC3_pos",
"Factors":{"endo-borneol concentration":"QC","Sample source":"soil"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"POS_Ge04JXY_QC03.raw"}
},
{
"Subject ID":"Control",
"Sample ID":"CK_1_neg",
"Factors":{"endo-borneol concentration":"0","Sample source":"soil"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"NEG_Ge04JXY_CK_1.raw"}
},
{
"Subject ID":"Control",
"Sample ID":"CK_2_neg",
"Factors":{"endo-borneol concentration":"0","Sample source":"soil"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"NEG_Ge04JXY_CK_2.raw"}
},
{
"Subject ID":"Control",
"Sample ID":"CK_3_neg",
"Factors":{"endo-borneol concentration":"0","Sample source":"soil"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"NEG_Ge04JXY_CK_3.raw"}
},
{
"Subject ID":"Control",
"Sample ID":"CK_4_neg",
"Factors":{"endo-borneol concentration":"0","Sample source":"soil"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"NEG_Ge04JXY_CK_4.raw"}
},
{
"Subject ID":"endo-borneol",
"Sample ID":"CK_5_neg",
"Factors":{"endo-borneol concentration":"0.1 mg/L","Sample source":"soil"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"NEG_Ge04JXY_CK_5.raw"}
},
{
"Subject ID":"endo-borneol",
"Sample ID":"CK_6_neg",
"Factors":{"endo-borneol concentration":"0.1 mg/L","Sample source":"soil"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"NEG_Ge04JXY_CK_6.raw"}
},
{
"Subject ID":"endo-borneol",
"Sample ID":"T3_1_neg",
"Factors":{"endo-borneol concentration":"0.1 mg/L","Sample source":"soil"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"NEG_Ge04JXY_T3_1.raw"}
},
{
"Subject ID":"endo-borneol",
"Sample ID":"T3_2_neg",
"Factors":{"endo-borneol concentration":"0.1 mg/L","Sample source":"soil"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"NEG_Ge04JXY_T3_2.raw"}
},
{
"Subject ID":"endo-borneol",
"Sample ID":"T3_3_neg",
"Factors":{"endo-borneol concentration":"0.1 mg/L","Sample source":"soil"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"NEG_Ge04JXY_T3_3.raw"}
},
{
"Subject ID":"endo-borneol",
"Sample ID":"T3_4_neg",
"Factors":{"endo-borneol concentration":"0.1 mg/L","Sample source":"soil"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"NEG_Ge04JXY_T3_4.raw"}
},
{
"Subject ID":"endo-borneol",
"Sample ID":"T3_5_neg",
"Factors":{"endo-borneol concentration":"0.1 mg/L","Sample source":"soil"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"NEG_Ge04JXY_T3_5.raw"}
},
{
"Subject ID":"endo-borneol",
"Sample ID":"T3_6_neg",
"Factors":{"endo-borneol concentration":"0.1 mg/L","Sample source":"soil"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"NEG_Ge04JXY_T3_6.raw"}
},
{
"Subject ID":"endo-borneol",
"Sample ID":"T7_1_neg",
"Factors":{"endo-borneol concentration":"100 mg/L","Sample source":"soil"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"NEG_Ge04JXY_T7_1.raw"}
},
{
"Subject ID":"endo-borneol",
"Sample ID":"T7_2_neg",
"Factors":{"endo-borneol concentration":"100 mg/L","Sample source":"soil"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"NEG_Ge04JXY_T7_2.raw"}
},
{
"Subject ID":"endo-borneol",
"Sample ID":"T7_3_neg",
"Factors":{"endo-borneol concentration":"100 mg/L","Sample source":"soil"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"NEG_Ge04JXY_T7_3.raw"}
},
{
"Subject ID":"endo-borneol",
"Sample ID":"T7_4_neg",
"Factors":{"endo-borneol concentration":"100 mg/L","Sample source":"soil"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"NEG_Ge04JXY_T7_4.raw"}
},
{
"Subject ID":"endo-borneol",
"Sample ID":"T7_5_neg",
"Factors":{"endo-borneol concentration":"100 mg/L","Sample source":"soil"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"NEG_Ge04JXY_T7_5.raw"}
},
{
"Subject ID":"endo-borneol",
"Sample ID":"T7_6_neg",
"Factors":{"endo-borneol concentration":"100 mg/L","Sample source":"soil"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"NEG_Ge04JXY_T7_6.raw"}
},
{
"Subject ID":"QC",
"Sample ID":"QC1_neg",
"Factors":{"endo-borneol concentration":"QC","Sample source":"soil"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"NEG_Ge04JXY_QC01.raw"}
},
{
"Subject ID":"QC",
"Sample ID":"QC2_neg",
"Factors":{"endo-borneol concentration":"QC","Sample source":"soil"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"NEG_Ge04JXY_QC02.raw"}
},
{
"Subject ID":"QC",
"Sample ID":"QC3_neg",
"Factors":{"endo-borneol concentration":"QC","Sample source":"soil"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"NEG_Ge04JXY_QC03.raw"}
}
],
"COLLECTION":{"COLLECTION_SUMMARY":"Rhizosphere soil samples were collected from Panax ginseng that were leaf sprayed with endo-borneol at 0, 0.1, 100 mg/L. The samples were snap-frozen using liquid nitrogen and stored in -80°C for metabolism analysis.","SAMPLE_TYPE":"Soil","COLLECTION_METHOD":"Gently brushed from the roots of Panax ginseng","COLLECTION_LOCATION":"Laobiangou, County Benxi, Liaoning, China","STORAGE_CONDITIONS":"-80℃"},

"TREATMENT":{"TREATMENT_SUMMARY":"Panax ginseng were leaf sprayed with endo-borneol at 0, 0.1, 100 mg/L from July to August, 2021. Six replicates were set for each group as six plots.Then the rhizosphere soil of Panax ginseng from each treatment was collected."},

"SAMPLEPREP":{"SAMPLEPREP_SUMMARY":"50 mg solid sample was added to a 2 mL centrifuge tube and a 6 mm diameter grinding bead was added. 400 μL of extraction solution (methanol: water = 4:1 (v:v)) containing 0.02 mg/mL of internal standard (L-2-chlorophenylalanine) was used for metabolite extraction. Samples were ground by the Wonbio-96c (Shanghai wanbo biotechnology co., ltd) frozen tissue grinder for 6 min (-10°C, 50 Hz), followed by low-temperature ultrasonic extraction for 30 min (5°C, 40 kHz). The samples were left at -20°C for 30 min, centrifuged for 15 min (4°C, 13000 g), and the supernatant was transferred to the injection vial for LC-MS/MS analysis."},

"CHROMATOGRAPHY":{"CHROMATOGRAPHY_TYPE":"Reversed phase","INSTRUMENT_NAME":"Thermo Vanquish Horizon","COLUMN_NAME":"Waters ACQUITY UPLC HSS T3 (100 x 2.1mm,1.8um)","SOLVENT_A":"95% water/5% acetonitrile; 0.1% formic acid","SOLVENT_B":"47.5% acetonitrile/47.5% isopropanol/5% water; 0.1% formic acid","FLOW_GRADIENT":"0-3 min: 0-20% B, 3-9 min: 20-60% B, 9-11 min: 60-100% B, maintain for 2.5 min, 13.5-13.6 min: 100% to 0% B, maintain for 2.4 min","FLOW_RATE":"0.40 mL/min","COLUMN_TEMPERATURE":"40℃"},

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

"MS":{"INSTRUMENT_NAME":"Thermo Q Exactive HF-X Orbitrap","INSTRUMENT_TYPE":"Orbitrap","MS_TYPE":"ESI","ION_MODE":"POSITIVE","MS_COMMENTS":"Full MS resolution was 60000, and MS/MS resolution was 7500. Data acquisition was performed with the Data Dependent Acquisition (DDA) mode. The detection was carried out over a mass range of 70-1050 m/z."},

"MS_METABOLITE_DATA":{
"Units":"Peak area",

"Data":[{"Metabolite":"Clausarinol","CK_1_pos":"66240000","CK_2_pos":"61030000","CK_3_pos":"59820000","CK_4_pos":"88030000","CK_5_pos":"53860000","CK_6_pos":"52950000","T3_1_pos":"58900000","T3_2_pos":"51650000","T3_3_pos":"57930000","T3_4_pos":"58930000","T3_5_pos":"42870000","T3_6_pos":"64020000","T7_1_pos":"63540000","T7_2_pos":"63550000","T7_3_pos":"62030000","T7_4_pos":"57620000","T7_5_pos":"56990000","T7_6_pos":"61940000","QC1_pos":"63610000","QC2_pos":"63600000","QC3_pos":"62260000"},{"Metabolite":"3-Hydroxyibuprofen","CK_1_pos":"1957","CK_2_pos":"1754","CK_3_pos":"2158","CK_4_pos":"1682","CK_5_pos":"702.9","CK_6_pos":"0","T3_1_pos":"10530","T3_2_pos":"5227","T3_3_pos":"7394","T3_4_pos":"5258","T3_5_pos":"5132","T3_6_pos":"7710","T7_1_pos":"31940","T7_2_pos":"38290","T7_3_pos":"38830","T7_4_pos":"37900","T7_5_pos":"38620","T7_6_pos":"33260","QC1_pos":"11560","QC2_pos":"11830","QC3_pos":"11840"},{"Metabolite":"2,2-Dimethyl-5-hydroxy-1-pyrrolidinyloxy","CK_1_pos":"95400","CK_2_pos":"93990","CK_3_pos":"110200","CK_4_pos":"104400","CK_5_pos":"93600","CK_6_pos":"96840","T3_1_pos":"108200","T3_2_pos":"127000","T3_3_pos":"116800","T3_4_pos":"106500","T3_5_pos":"121900","T3_6_pos":"117000","T7_1_pos":"59690","T7_2_pos":"55320","T7_3_pos":"60940","T7_4_pos":"55760","T7_5_pos":"64470","T7_6_pos":"56630","QC1_pos":"94290","QC2_pos":"95140","QC3_pos":"95130"},{"Metabolite":"Thr 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}

}