{
"METABOLOMICS WORKBENCH":{"STUDY_ID":"ST003172","ANALYSIS_ID":"AN005206","VERSION":"1","CREATED_ON":"April 16, 2024, 12:30 am"},

"PROJECT":{"PROJECT_TITLE":"Untargeted Metabolomic Profile Of Chili Pepper (Capsicum Chinensed) Developmental Cycle","PROJECT_SUMMARY":"To explore the temporal dynamics of metabolites in chili peppers at various developmental stages, we employed a non-targeted metabolomics method based on liquid chromatography-mass spectrometry (LC-MS). The metabolome data collection began on the day of flowering (0 days post-anthesis), and continued for 7, 16, 30, 50, 55, and 60 DPA. This comprehensive dataset paved the way for future studies on metabolite changes and biological processes in chili peppers throughout their life cycle.","INSTITUTE":"University of Alberta","DEPARTMENT":"Department of Chemistry","LAST_NAME":"Yang","FIRST_NAME":"Bowen","ADDRESS":"11227 Saskatchewan Drive, Edmonton, Alberta, Canada T6G 2G2","EMAIL":"by8@ualberta.ca","PHONE":"8259758666"},

"STUDY":{"STUDY_TITLE":"Untargeted Metabolomic Profile Of Chili Pepper (Capsicum Chinensed) Developmental Cycle","STUDY_SUMMARY":"To explore the temporal dynamics of metabolites in chili peppers at various developmental stages, we employed a non-targeted metabolomics method based on liquid chromatography-mass spectrometry (LC-MS). The metabolome data collection began on the day of flowering (0 days post-anthesis), and continued for 7, 16, 30, 50, 55, and 60 DPA. This comprehensive dataset paved the way for future studies on metabolite changes and biological processes in chili peppers throughout their life cycle.","INSTITUTE":"University of Alberta","DEPARTMENT":"Department of Chemistry","LAST_NAME":"Yang","FIRST_NAME":"Bowen","ADDRESS":"11227 Saskatchewan Drive
, Edmonton, Alberta, Canada T6G 2G2","EMAIL":"by8@ualberta.ca","PHONE":"8259758666"},

"SUBJECT":{"SUBJECT_TYPE":"Plant","SUBJECT_SPECIES":"Chili Pepper (Capsicum Chinensed)"},
"SUBJECT_SAMPLE_FACTORS":[
{
"Subject ID":"-",
"Sample ID":"20230216-M-GL-LJ-NEG1-1",
"Factors":{"day post-anthesis":"0","POS/NEG":"NEG","Sample source":"Capsicum Chinensed"},
"Additional sample data":{"RAW_FILE_NAME(raw data file names)":"20230216-M-GL-LJ-NEG1-1.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"20230216-M-GL-LJ-NEG1-2",
"Factors":{"day post-anthesis":"0","POS/NEG":"NEG","Sample source":"Capsicum Chinensed"},
"Additional sample data":{"RAW_FILE_NAME(raw data file names)":"20230216-M-GL-LJ-NEG1-2.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"20230216-M-GL-LJ-NEG1-3",
"Factors":{"day post-anthesis":"0","POS/NEG":"NEG","Sample source":"Capsicum Chinensed"},
"Additional sample data":{"RAW_FILE_NAME(raw data file names)":"20230216-M-GL-LJ-NEG1-3.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"20230216-M-GL-LJ-NEG2-1",
"Factors":{"day post-anthesis":"7","POS/NEG":"NEG","Sample source":"Capsicum Chinensed"},
"Additional sample data":{"RAW_FILE_NAME(raw data file names)":"20230216-M-GL-LJ-NEG2-1.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"20230216-M-GL-LJ-NEG2-2",
"Factors":{"day post-anthesis":"7","POS/NEG":"NEG","Sample source":"Capsicum Chinensed"},
"Additional sample data":{"RAW_FILE_NAME(raw data file names)":"20230216-M-GL-LJ-NEG2-2.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"20230216-M-GL-LJ-NEG2-3",
"Factors":{"day post-anthesis":"7","POS/NEG":"NEG","Sample source":"Capsicum Chinensed"},
"Additional sample data":{"RAW_FILE_NAME(raw data file names)":"20230216-M-GL-LJ-NEG2-3.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"20230216-M-GL-LJ-NEG3-1",
"Factors":{"day post-anthesis":"16","POS/NEG":"NEG","Sample source":"Capsicum Chinensed"},
"Additional sample data":{"RAW_FILE_NAME(raw data file names)":"20230216-M-GL-LJ-NEG3-1.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"20230216-M-GL-LJ-NEG3-2",
"Factors":{"day post-anthesis":"16","POS/NEG":"NEG","Sample source":"Capsicum Chinensed"},
"Additional sample data":{"RAW_FILE_NAME(raw data file names)":"20230216-M-GL-LJ-NEG3-2.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"20230216-M-GL-LJ-NEG3-3",
"Factors":{"day post-anthesis":"16","POS/NEG":"NEG","Sample source":"Capsicum Chinensed"},
"Additional sample data":{"RAW_FILE_NAME(raw data file names)":"20230216-M-GL-LJ-NEG3-3.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"20230216-M-GL-LJ-NEG4-1",
"Factors":{"day post-anthesis":"30","POS/NEG":"NEG","Sample source":"Capsicum Chinensed"},
"Additional sample data":{"RAW_FILE_NAME(raw data file names)":"20230216-M-GL-LJ-NEG4-1.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"20230216-M-GL-LJ-NEG4-2",
"Factors":{"day post-anthesis":"30","POS/NEG":"NEG","Sample source":"Capsicum Chinensed"},
"Additional sample data":{"RAW_FILE_NAME(raw data file names)":"20230216-M-GL-LJ-NEG4-2.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"20230216-M-GL-LJ-NEG4-3",
"Factors":{"day post-anthesis":"30","POS/NEG":"NEG","Sample source":"Capsicum Chinensed"},
"Additional sample data":{"RAW_FILE_NAME(raw data file names)":"20230216-M-GL-LJ-NEG4-3.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"20230216-M-GL-LJ-NEG5-1",
"Factors":{"day post-anthesis":"50","POS/NEG":"NEG","Sample source":"Capsicum Chinensed"},
"Additional sample data":{"RAW_FILE_NAME(raw data file names)":"20230216-M-GL-LJ-NEG5-1.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"20230216-M-GL-LJ-NEG5-2",
"Factors":{"day post-anthesis":"50","POS/NEG":"NEG","Sample source":"Capsicum Chinensed"},
"Additional sample data":{"RAW_FILE_NAME(raw data file names)":"20230216-M-GL-LJ-NEG5-2.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"20230216-M-GL-LJ-NEG5-3",
"Factors":{"day post-anthesis":"50","POS/NEG":"NEG","Sample source":"Capsicum Chinensed"},
"Additional sample data":{"RAW_FILE_NAME(raw data file names)":"20230216-M-GL-LJ-NEG5-3.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"20230216-M-GL-LJ-NEG6-1",
"Factors":{"day post-anthesis":"55","POS/NEG":"NEG","Sample source":"Capsicum Chinensed"},
"Additional sample data":{"RAW_FILE_NAME(raw data file names)":"20230216-M-GL-LJ-NEG6-1.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"20230216-M-GL-LJ-NEG6-2",
"Factors":{"day post-anthesis":"55","POS/NEG":"NEG","Sample source":"Capsicum Chinensed"},
"Additional sample data":{"RAW_FILE_NAME(raw data file names)":"20230216-M-GL-LJ-NEG6-2.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"20230216-M-GL-LJ-NEG6-3",
"Factors":{"day post-anthesis":"55","POS/NEG":"NEG","Sample source":"Capsicum Chinensed"},
"Additional sample data":{"RAW_FILE_NAME(raw data file names)":"20230216-M-GL-LJ-NEG6-3.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"20230216-M-GL-LJ-NEG7-1",
"Factors":{"day post-anthesis":"60","POS/NEG":"NEG","Sample source":"Capsicum Chinensed"},
"Additional sample data":{"RAW_FILE_NAME(raw data file names)":"20230216-M-GL-LJ-NEG7-1.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"20230216-M-GL-LJ-NEG7-2",
"Factors":{"day post-anthesis":"60","POS/NEG":"NEG","Sample source":"Capsicum Chinensed"},
"Additional sample data":{"RAW_FILE_NAME(raw data file names)":"20230216-M-GL-LJ-NEG7-2.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"20230216-M-GL-LJ-NEG7-3",
"Factors":{"day post-anthesis":"60","POS/NEG":"NEG","Sample source":"Capsicum Chinensed"},
"Additional sample data":{"RAW_FILE_NAME(raw data file names)":"20230216-M-GL-LJ-NEG7-3.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"20230216-M-GL-LJ-NEGQC1",
"Factors":{"day post-anthesis":"QC","POS/NEG":"NEG","Sample source":"Capsicum Chinensed"},
"Additional sample data":{"RAW_FILE_NAME(raw data file names)":"20230216-M-GL-LJ-NEGQC1.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"20230216-M-GL-LJ-NEGQC2",
"Factors":{"day post-anthesis":"QC","POS/NEG":"NEG","Sample source":"Capsicum Chinensed"},
"Additional sample data":{"RAW_FILE_NAME(raw data file names)":"20230216-M-GL-LJ-NEGQC2.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"20230216-M-GL-LJ-NEGQC3",
"Factors":{"day post-anthesis":"QC","POS/NEG":"NEG","Sample source":"Capsicum Chinensed"},
"Additional sample data":{"RAW_FILE_NAME(raw data file names)":"20230216-M-GL-LJ-NEGQC3.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"20230216-M-GL-LJ-POS1-1",
"Factors":{"day post-anthesis":"0","POS/NEG":"POS","Sample source":"Capsicum Chinensed"},
"Additional sample data":{"RAW_FILE_NAME(raw data file names)":"20230216-M-GL-LJ-POS1-1.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"20230216-M-GL-LJ-POS1-2",
"Factors":{"day post-anthesis":"0","POS/NEG":"POS","Sample source":"Capsicum Chinensed"},
"Additional sample data":{"RAW_FILE_NAME(raw data file names)":"20230216-M-GL-LJ-POS1-2.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"20230216-M-GL-LJ-POS1-3",
"Factors":{"day post-anthesis":"0","POS/NEG":"POS","Sample source":"Capsicum Chinensed"},
"Additional sample data":{"RAW_FILE_NAME(raw data file names)":"20230216-M-GL-LJ-POS1-3.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"20230216-M-GL-LJ-POS2-1",
"Factors":{"day post-anthesis":"7","POS/NEG":"POS","Sample source":"Capsicum Chinensed"},
"Additional sample data":{"RAW_FILE_NAME(raw data file names)":"20230216-M-GL-LJ-POS2-1.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"20230216-M-GL-LJ-POS2-2",
"Factors":{"day post-anthesis":"7","POS/NEG":"POS","Sample source":"Capsicum Chinensed"},
"Additional sample data":{"RAW_FILE_NAME(raw data file names)":"20230216-M-GL-LJ-POS2-2.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"20230216-M-GL-LJ-POS2-3",
"Factors":{"day post-anthesis":"7","POS/NEG":"POS","Sample source":"Capsicum Chinensed"},
"Additional sample data":{"RAW_FILE_NAME(raw data file names)":"20230216-M-GL-LJ-POS2-3.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"20230216-M-GL-LJ-POS3-1",
"Factors":{"day post-anthesis":"16","POS/NEG":"POS","Sample source":"Capsicum Chinensed"},
"Additional sample data":{"RAW_FILE_NAME(raw data file names)":"20230216-M-GL-LJ-POS3-1.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"20230216-M-GL-LJ-POS3-2",
"Factors":{"day post-anthesis":"16","POS/NEG":"POS","Sample source":"Capsicum Chinensed"},
"Additional sample data":{"RAW_FILE_NAME(raw data file names)":"20230216-M-GL-LJ-POS3-2.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"20230216-M-GL-LJ-POS3-3",
"Factors":{"day post-anthesis":"16","POS/NEG":"POS","Sample source":"Capsicum Chinensed"},
"Additional sample data":{"RAW_FILE_NAME(raw data file names)":"20230216-M-GL-LJ-POS3-3.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"20230216-M-GL-LJ-POS4-1",
"Factors":{"day post-anthesis":"30","POS/NEG":"POS","Sample source":"Capsicum Chinensed"},
"Additional sample data":{"RAW_FILE_NAME(raw data file names)":"20230216-M-GL-LJ-POS4-1.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"20230216-M-GL-LJ-POS4-2",
"Factors":{"day post-anthesis":"30","POS/NEG":"POS","Sample source":"Capsicum Chinensed"},
"Additional sample data":{"RAW_FILE_NAME(raw data file names)":"20230216-M-GL-LJ-POS4-2.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"20230216-M-GL-LJ-POS4-3",
"Factors":{"day post-anthesis":"30","POS/NEG":"POS","Sample source":"Capsicum Chinensed"},
"Additional sample data":{"RAW_FILE_NAME(raw data file names)":"20230216-M-GL-LJ-POS4-3.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"20230216-M-GL-LJ-POS5-1",
"Factors":{"day post-anthesis":"50","POS/NEG":"POS","Sample source":"Capsicum Chinensed"},
"Additional sample data":{"RAW_FILE_NAME(raw data file names)":"20230216-M-GL-LJ-POS5-1.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"20230216-M-GL-LJ-POS5-2",
"Factors":{"day post-anthesis":"50","POS/NEG":"POS","Sample source":"Capsicum Chinensed"},
"Additional sample data":{"RAW_FILE_NAME(raw data file names)":"20230216-M-GL-LJ-POS5-2.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"20230216-M-GL-LJ-POS5-3",
"Factors":{"day post-anthesis":"50","POS/NEG":"POS","Sample source":"Capsicum Chinensed"},
"Additional sample data":{"RAW_FILE_NAME(raw data file names)":"20230216-M-GL-LJ-POS5-3.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"20230216-M-GL-LJ-POS6-1",
"Factors":{"day post-anthesis":"55","POS/NEG":"POS","Sample source":"Capsicum Chinensed"},
"Additional sample data":{"RAW_FILE_NAME(raw data file names)":"20230216-M-GL-LJ-POS6-1.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"20230216-M-GL-LJ-POS6-2",
"Factors":{"day post-anthesis":"55","POS/NEG":"POS","Sample source":"Capsicum Chinensed"},
"Additional sample data":{"RAW_FILE_NAME(raw data file names)":"20230216-M-GL-LJ-POS6-2.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"20230216-M-GL-LJ-POS6-3",
"Factors":{"day post-anthesis":"55","POS/NEG":"POS","Sample source":"Capsicum Chinensed"},
"Additional sample data":{"RAW_FILE_NAME(raw data file names)":"20230216-M-GL-LJ-POS6-3.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"20230216-M-GL-LJ-POS7-1",
"Factors":{"day post-anthesis":"60","POS/NEG":"POS","Sample source":"Capsicum Chinensed"},
"Additional sample data":{"RAW_FILE_NAME(raw data file names)":"20230216-M-GL-LJ-POS7-1.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"20230216-M-GL-LJ-POS7-2",
"Factors":{"day post-anthesis":"60","POS/NEG":"POS","Sample source":"Capsicum Chinensed"},
"Additional sample data":{"RAW_FILE_NAME(raw data file names)":"20230216-M-GL-LJ-POS7-2.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"20230216-M-GL-LJ-POS7-3",
"Factors":{"day post-anthesis":"60","POS/NEG":"POS","Sample source":"Capsicum Chinensed"},
"Additional sample data":{"RAW_FILE_NAME(raw data file names)":"20230216-M-GL-LJ-POS7-3.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"20230216-M-GL-LJ-POSQC1",
"Factors":{"day post-anthesis":"QC","POS/NEG":"POS","Sample source":"Capsicum Chinensed"},
"Additional sample data":{"RAW_FILE_NAME(raw data file names)":"20230216-M-GL-LJ-POSQC1.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"20230216-M-GL-LJ-POSQC2",
"Factors":{"day post-anthesis":"QC","POS/NEG":"POS","Sample source":"Capsicum Chinensed"},
"Additional sample data":{"RAW_FILE_NAME(raw data file names)":"20230216-M-GL-LJ-POSQC2.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"20230216-M-GL-LJ-POSQC3",
"Factors":{"day post-anthesis":"QC","POS/NEG":"POS","Sample source":"Capsicum Chinensed"},
"Additional sample data":{"RAW_FILE_NAME(raw data file names)":"20230216-M-GL-LJ-POSQC3.mzML"}
}
],
"COLLECTION":{"COLLECTION_SUMMARY":"Metabolic profiling data from chili peppers (Capsicum chinese L.) was collected. Pepper seedlings were grown in a greenhouse of Peking University Institute of Advanced Agricultural Sciences with a controlled environment of 25°C temperature, a light-dark cycle of 16 hours light and 8 hours dark, and 70% relative humidity. The fruits of peppers were sampled at seven distinct time points, starting from the day of flowering, i.e. 0 day post-anthesis (DPA) during which flowers were collected. Following this, fruits were harvested on days 7, 16, 30, 50, 55, and 60 DPA. The samples were ground and freeze-dried in liquid nitrogen, followed by extraction using 1.0 mL of 70% aqueous methanol for every 50 mg of the sample, and an ultrasonic process was employed for 30 minutes. The preparation of standards was conducted as follows: a mixed standard in the range of 20-50μg/mL was prepared using methanol of MS grade. For the amino acid standard solution, a 1mg/mL stock solution was prepared in water and subsequently diluted with 50% methanol to achieve a concentration of 50μg/mL. Three biological replicates were used metabolome analysis.","SAMPLE_TYPE":"Chili Pepper (Capsicum Chinensed)"},

"TREATMENT":{"TREATMENT_SUMMARY":"Metabolic profiling data from chili peppers (Capsicum chinese L.) was collected. Pepper seedlings were grown in a greenhouse of Peking University Institute of Advanced Agricultural Sciences with a controlled environment of 25°C temperature, a light-dark cycle of 16 hours light and 8 hours dark, and 70% relative humidity. The fruits of peppers were sampled at seven distinct time points, starting from the day of flowering, i.e. 0 day post-anthesis (DPA) during which flowers were collected. Following this, fruits were harvested on days 7, 16, 30, 50, 55, and 60 DPA. The samples were ground and freeze-dried in liquid nitrogen, followed by extraction using 1.0 mL of 70% aqueous methanol for every 50 mg of the sample, and an ultrasonic process was employed for 30 minutes. The preparation of standards was conducted as follows: a mixed standard in the range of 20-50μg/mL was prepared using methanol of MS grade. For the amino acid standard solution, a 1mg/mL stock solution was prepared in water and subsequently diluted with 50% methanol to achieve a concentration of 50μg/mL. Three biological replicates were used metabolome analysis."},

"SAMPLEPREP":{"SAMPLEPREP_SUMMARY":"Metabolic profiling data from chili peppers (Capsicum chinese L.) was collected. Pepper seedlings were grown in a greenhouse of Peking University Institute of Advanced Agricultural Sciences with a controlled environment of 25°C temperature, a light-dark cycle of 16 hours light and 8 hours dark, and 70% relative humidity. The fruits of peppers were sampled at seven distinct time points, starting from the day of flowering, i.e. 0 day post-anthesis (DPA) during which flowers were collected. Following this, fruits were harvested on days 7, 16, 30, 50, 55, and 60 DPA. The samples were ground and freeze-dried in liquid nitrogen, followed by extraction using 1.0 mL of 70% aqueous methanol for every 50 mg of the sample, and an ultrasonic process was employed for 30 minutes. The preparation of standards was conducted as follows: a mixed standard in the range of 20-50μg/mL was prepared using methanol of MS grade. For the amino acid standard solution, a 1mg/mL stock solution was prepared in water and subsequently diluted with 50% methanol to achieve a concentration of 50μg/mL. Three biological replicates were used metabolome analysis."},

"CHROMATOGRAPHY":{"CHROMATOGRAPHY_SUMMARY":"Metabolic profiling data from chili peppers (Capsicum chinese L.) was collected. Pepper seedlings were grown in a greenhouse of Peking University Institute of Advanced Agricultural Sciences with a controlled environment of 25°C temperature, a light-dark cycle of 16 hours light and 8 hours dark, and 70% relative humidity. The fruits of peppers were sampled at seven distinct time points, starting from the day of flowering, i.e. 0 day post-anthesis (DPA) during which flowers were collected. Following this, fruits were harvested on days 7, 16, 30, 50, 55, and 60 DPA. The samples were ground and freeze-dried in liquid nitrogen, followed by extraction using 1.0 mL of 70% aqueous methanol for every 50 mg of the sample, and an ultrasonic process was employed for 30 minutes. The preparation of standards was conducted as follows: a mixed standard in the range of 20-50μg/mL was prepared using methanol of MS grade. For the amino acid standard solution, a 1mg/mL stock solution was prepared in water and subsequently diluted with 50% methanol to achieve a concentration of 50μg/mL. Three biological replicates were used metabolome analysis. The metabolome profiling was carried out using untargeted metabolomics based on liquid chromatography coupled with mass spectrometry (LC-MS). The samples were filtered through a 0.22 µm membrane and transferred into the lining tube of a sampling vial. Subsequent centrifugation was carried out at 12000 rcf and 4°C for 10 minutes. The processed samples were then analyzed using Thermo Scientific Orbitrap Exploris™ 240 (Thermo Fisher Scientific, USA). Chromatographic separation was achieved on a T3 C18 (1.7 µm, 2.1 mm × 150 mm column, USA) maintained at 40°C. The mobile phase consisted of A: 1% formic acid in water and B: 1% formic acid in acetonitrile, with a flow rate of 300 µL/min. A 3 µL sample was injected at an autosampler temperature of 10°C. The elution gradient was set as follows: 0-2.5 min, 3-10% B; 2.5-6 min, 10-44% B; 6-14 min, 44-80% B; 14-20 min, 80-95% B; 20-23 min, 95% B; 23-23.1 min, 95-3% B; 23.1-28 min, 3% B. MS was performed using both positive and negative ion scans, with a precursor ion scan mode. The auxiliary gas heater temperature was set at 350°C, and the ion transfer tube temperature was also maintained at 350°C. The sheath gas flow rate and auxiliary gas flow rate were set to 35 arb and 15 arb, respectively. The voltages were set to 3.5 KV for the positive spectrum and 3.2 KV for the negative spectrum. For MS1, the scan resolution was 60000, with a scan range of 80-1200. For MS2, the scan resolution was 15000, with a stepped collision energy of 20, 40, and 60 eV. Metabolite identification and quantification were performed using the Compound Discoverer software 3.3 (Thermo Fisher Scientific, USA).","CHROMATOGRAPHY_TYPE":"Reversed phase","INSTRUMENT_NAME":"Waters Acquity H-Class","COLUMN_NAME":"Waters ACQUITY UPLC HSS T3 (150 x 2.1mm, 1.8um)","SOLVENT_A":"100% Water; 1% Formic Acid","SOLVENT_B":"100% Acetonitrile; 1% Formic Acid","FLOW_GRADIENT":"0-2.5 min，3-10% B；2.5-6 min，10-44% B；6-14 min，44-80% B；14-20 min，80-95% B；20-23 min，95% B；23-23.1 min，95-3% B；23.1-28 min，3% B","FLOW_RATE":"300 μL/min","COLUMN_TEMPERATURE":"40℃"},

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

"MS":{"INSTRUMENT_NAME":"Orbitrap Exploris™ 240 Mass Spectrometer","INSTRUMENT_TYPE":"Orbitrap","MS_TYPE":"ESI","ION_MODE":"UNSPECIFIED","MS_COMMENTS":"The metabolome profiling was carried out using untargeted metabolomics based on liquid chromatography coupled with mass spectrometry (LC-MS), with data collected in positive and negative modes respectively to improve coverage. The samples were filtered through a 0.22 µm membrane and transferred into the lining tube of a sampling vial. Subsequent centrifugation was carried out at 12000 rcf and 4°C for 10 minutes. The processed samples were then analyzed using Thermo Scientific Orbitrap Exploris™ 240 (Thermo Fisher Scientific, USA). Chromatographic separation was achieved on a T3 C18 (1.7 µm, 2.1 mm × 150 mm column, USA) maintained at 40°C. The mobile phase consisted of A: 1% formic acid in water and B: 1% formic acid in acetonitrile, with a flow rate of 300 µL/min. A 3 µL sample was injected at an autosampler temperature of 10°C. The elution gradient was set as follows: 0-2.5 min, 3-10% B; 2.5-6 min, 10-44% B; 6-14 min, 44-80% B; 14-20 min, 80-95% B; 20-23 min, 95% B; 23-23.1 min, 95-3% B; 23.1-28 min, 3% B. MS was performed using both positive and negative ion scans, with a precursor ion scan mode. The auxiliary gas heater temperature was set at 350°C, and the ion transfer tube temperature was also maintained at 350°C. The sheath gas flow rate and auxiliary gas flow rate were set to 35 arb and 15 arb, respectively. The voltages were set to 3.5 KV for the positive spectrum and 3.2 KV for the negative spectrum. For MS1, the scan resolution was 60000, with a scan range of 80-1200. For MS2, the scan resolution was 15000, with a stepped collision energy of 20, 40, and 60 eV. Metabolite identification and quantification were performed using the Compound Discoverer software 3.3 (Thermo Fisher Scientific, USA)."},

"MS_METABOLITE_DATA":{
"Units":"peak area",

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class":"","Sub class":""},{"Metabolite":"4-Acetamidobutanoic acid","RefMet Name":"4-Acetamidobutanoic acid","Exact mass":"145.0739","Formula":"C6H11NO3","Super class":"Organic acids","Main class":"Amino acids and peptides","Sub class":"Amino acids"},{"Metabolite":"HomodihydrocapsaicinI","RefMet Name":"-","Exact mass":"","Formula":"","Super class":"","Main class":"","Sub class":""},{"Metabolite":"Homocapsaicin","RefMet Name":"Homocapsaicin","Exact mass":"319.2147","Formula":"C19H29NO3","Super class":"Benzenoids","Main class":"Phenols","Sub class":"Methoxyphenols"},{"Metabolite":"Isoleucine","RefMet Name":"Isoleucine","Exact mass":"131.0946","Formula":"C6H13NO2","Super class":"Organic acids","Main class":"Amino acids and peptides","Sub class":"Amino acids"},{"Metabolite":"Choline","RefMet Name":"Choline","Exact mass":"104.1075","Formula":"C5H14NO","Super class":"Organic nitrogen compounds","Main class":"Cholines","Sub class":"Cholines"},{"Metabolite":"Tropine","RefMet 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}

}