{
"METABOLOMICS WORKBENCH":{"STUDY_ID":"ST001096","ANALYSIS_ID":"AN001783","VERSION":"1","CREATED_ON":"November 20, 2018, 10:08 am"},

"PROJECT":{"PROJECT_TITLE":"Computational metabolomics to characterize metabolites in stable isotope-labelled organisms.","PROJECT_SUMMARY":"We developed a computational metabolomics workflow to characterize metabolite structures by using the set of fully 13C-labelled and non-labelled LC-MS/MS data. The platform was applied to structure elucidations for 31 tissues of 12 plant species, resulting in the assignments of 1,092 structures and 344 formulas to 3,604 carbon-determined metabolite ions. We also applied the methodology to find the trait-metabolite associations in natural accessions of Arabidopsis thaliana.","INSTITUTE":"RIKEN","DEPARTMENT":"Center for Sustainable Resource Science","LABORATORY":"Metabolome Informatics Research Team","LAST_NAME":"Tsugawa","FIRST_NAME":"Hiroshi","ADDRESS":"1-7-22 Suehiro-cho, Tsurumi-ku, Yokohama, Kanagawa, 230-0045, Japan","EMAIL":"hiroshi.tsugawa@riken.jp","PHONE":"+81-45-503-9618"},

"STUDY":{"STUDY_TITLE":"Arabidopsis thaliana 25 accessions","STUDY_SUMMARY":"Waters Raw data can be downloaded for shoot- and root parts of Arabidopsis thaliana accessions.","INSTITUTE":"RIKEN","DEPARTMENT":"Center for Sustainable Resource Science","LABORATORY":"Metabolome Informatics Research Team","LAST_NAME":"Tsugawa","FIRST_NAME":"Hiroshi","ADDRESS":"1-7-22 Suehiro-cho, Tsurumi-ku","EMAIL":"hiroshi.tsugawa@riken.jp","PHONE":"+81-45-503-9618"},

"SUBJECT":{"SUBJECT_TYPE":"Plant","SUBJECT_SPECIES":"Arabidopsis thaliana","TAXONOMY_ID":"3702","GENOTYPE_STRAIN":"Col-0/Cvi-0/Bur-0/MIB-22/Shahdara/Fei-0/Bor-4/Ts-1/Tsu-0/RRS-7/Est-1/Ler-1/C24/RRS-10/Bla-1/Br-0/Got-7/Kas-2/Lov-5/Mr-0/Pna-17/T540/Tamm-2/UKNW06-460/Ty-0"},
"SUBJECT_SAMPLE_FACTORS":[
{
"Subject ID":"-",
"Sample ID":"S00_1",
"Factors":{"ecotype":"Col-0","tissue":"shoot"}
},
{
"Subject ID":"-",
"Sample ID":"S00_2",
"Factors":{"ecotype":"Col-0","tissue":"shoot"}
},
{
"Subject ID":"-",
"Sample ID":"S00_3",
"Factors":{"ecotype":"Col-0","tissue":"shoot"}
},
{
"Subject ID":"-",
"Sample ID":"S01_1",
"Factors":{"ecotype":"Cvi-0","tissue":"shoot"}
},
{
"Subject ID":"-",
"Sample ID":"S01_2",
"Factors":{"ecotype":"Cvi-0","tissue":"shoot"}
},
{
"Subject ID":"-",
"Sample ID":"S01_3",
"Factors":{"ecotype":"Cvi-0","tissue":"shoot"}
},
{
"Subject ID":"-",
"Sample ID":"S02_1",
"Factors":{"ecotype":"Bur-0","tissue":"shoot"}
},
{
"Subject ID":"-",
"Sample ID":"S02_2",
"Factors":{"ecotype":"Bur-0","tissue":"shoot"}
},
{
"Subject ID":"-",
"Sample ID":"S02_3",
"Factors":{"ecotype":"Bur-0","tissue":"shoot"}
},
{
"Subject ID":"-",
"Sample ID":"S03_1",
"Factors":{"ecotype":"MIB-22","tissue":"shoot"}
},
{
"Subject ID":"-",
"Sample ID":"S03_2",
"Factors":{"ecotype":"MIB-22","tissue":"shoot"}
},
{
"Subject ID":"-",
"Sample ID":"S03_3",
"Factors":{"ecotype":"MIB-22","tissue":"shoot"}
},
{
"Subject ID":"-",
"Sample ID":"S04_1",
"Factors":{"ecotype":"Shahdara","tissue":"shoot"}
},
{
"Subject ID":"-",
"Sample ID":"S04_2",
"Factors":{"ecotype":"Shahdara","tissue":"shoot"}
},
{
"Subject ID":"-",
"Sample ID":"S04_3",
"Factors":{"ecotype":"Shahdara","tissue":"shoot"}
},
{
"Subject ID":"-",
"Sample ID":"S05_1",
"Factors":{"ecotype":"Fei-0","tissue":"shoot"}
},
{
"Subject ID":"-",
"Sample ID":"S05_2",
"Factors":{"ecotype":"Fei-0","tissue":"shoot"}
},
{
"Subject ID":"-",
"Sample ID":"S05_3",
"Factors":{"ecotype":"Fei-0","tissue":"shoot"}
},
{
"Subject ID":"-",
"Sample ID":"S06_1",
"Factors":{"ecotype":"Bor-4","tissue":"shoot"}
},
{
"Subject ID":"-",
"Sample ID":"S06_2",
"Factors":{"ecotype":"Bor-4","tissue":"shoot"}
},
{
"Subject ID":"-",
"Sample ID":"S06_3",
"Factors":{"ecotype":"Bor-4","tissue":"shoot"}
},
{
"Subject ID":"-",
"Sample ID":"S07_1",
"Factors":{"ecotype":"Ts-1","tissue":"shoot"}
},
{
"Subject ID":"-",
"Sample ID":"S07_2",
"Factors":{"ecotype":"Ts-1","tissue":"shoot"}
},
{
"Subject ID":"-",
"Sample ID":"S07_3",
"Factors":{"ecotype":"Ts-1","tissue":"shoot"}
},
{
"Subject ID":"-",
"Sample ID":"S08_1",
"Factors":{"ecotype":"Tsu-0","tissue":"shoot"}
},
{
"Subject ID":"-",
"Sample ID":"S08_2",
"Factors":{"ecotype":"Tsu-0","tissue":"shoot"}
},
{
"Subject ID":"-",
"Sample ID":"S08_3",
"Factors":{"ecotype":"Tsu-0","tissue":"shoot"}
},
{
"Subject ID":"-",
"Sample ID":"S09_1",
"Factors":{"ecotype":"RRS-7","tissue":"shoot"}
},
{
"Subject ID":"-",
"Sample ID":"S09_2",
"Factors":{"ecotype":"RRS-7","tissue":"shoot"}
},
{
"Subject ID":"-",
"Sample ID":"S09_3",
"Factors":{"ecotype":"RRS-7","tissue":"shoot"}
},
{
"Subject ID":"-",
"Sample ID":"S10_1",
"Factors":{"ecotype":"Est-1","tissue":"shoot"}
},
{
"Subject ID":"-",
"Sample ID":"S10_2",
"Factors":{"ecotype":"Est-1","tissue":"shoot"}
},
{
"Subject ID":"-",
"Sample ID":"S10_3",
"Factors":{"ecotype":"Est-1","tissue":"shoot"}
},
{
"Subject ID":"-",
"Sample ID":"S11_1",
"Factors":{"ecotype":"Ler-1","tissue":"shoot"}
},
{
"Subject ID":"-",
"Sample ID":"S11_2",
"Factors":{"ecotype":"Ler-1","tissue":"shoot"}
},
{
"Subject ID":"-",
"Sample ID":"S11_3",
"Factors":{"ecotype":"Ler-1","tissue":"shoot"}
},
{
"Subject ID":"-",
"Sample ID":"S12_1",
"Factors":{"ecotype":"C24","tissue":"shoot"}
},
{
"Subject ID":"-",
"Sample ID":"S12_2",
"Factors":{"ecotype":"C24","tissue":"shoot"}
},
{
"Subject ID":"-",
"Sample ID":"S12_3",
"Factors":{"ecotype":"C24","tissue":"shoot"}
},
{
"Subject ID":"-",
"Sample ID":"S13_1",
"Factors":{"ecotype":"RRS-10","tissue":"shoot"}
},
{
"Subject ID":"-",
"Sample ID":"S13_2",
"Factors":{"ecotype":"RRS-10","tissue":"shoot"}
},
{
"Subject ID":"-",
"Sample ID":"S13_3",
"Factors":{"ecotype":"RRS-10","tissue":"shoot"}
},
{
"Subject ID":"-",
"Sample ID":"S14_1",
"Factors":{"ecotype":"Bla-1","tissue":"shoot"}
},
{
"Subject ID":"-",
"Sample ID":"S14_2",
"Factors":{"ecotype":"Bla-1","tissue":"shoot"}
},
{
"Subject ID":"-",
"Sample ID":"S14_3",
"Factors":{"ecotype":"Bla-1","tissue":"shoot"}
},
{
"Subject ID":"-",
"Sample ID":"S15_1",
"Factors":{"ecotype":"Br-0","tissue":"shoot"}
},
{
"Subject ID":"-",
"Sample ID":"S15_2",
"Factors":{"ecotype":"Br-0","tissue":"shoot"}
},
{
"Subject ID":"-",
"Sample ID":"S15_3",
"Factors":{"ecotype":"Br-0","tissue":"shoot"}
},
{
"Subject ID":"-",
"Sample ID":"S16_1",
"Factors":{"ecotype":"Got-7","tissue":"shoot"}
},
{
"Subject ID":"-",
"Sample ID":"S16_2",
"Factors":{"ecotype":"Got-7","tissue":"shoot"}
},
{
"Subject ID":"-",
"Sample ID":"S16_3",
"Factors":{"ecotype":"Got-7","tissue":"shoot"}
},
{
"Subject ID":"-",
"Sample ID":"S17_1",
"Factors":{"ecotype":"Kas-2","tissue":"shoot"}
},
{
"Subject ID":"-",
"Sample ID":"S17_2",
"Factors":{"ecotype":"Kas-2","tissue":"shoot"}
},
{
"Subject ID":"-",
"Sample ID":"S17_3",
"Factors":{"ecotype":"Kas-2","tissue":"shoot"}
},
{
"Subject ID":"-",
"Sample ID":"S18_1",
"Factors":{"ecotype":"Lov-5","tissue":"shoot"}
},
{
"Subject ID":"-",
"Sample ID":"S18_2",
"Factors":{"ecotype":"Lov-5","tissue":"shoot"}
},
{
"Subject ID":"-",
"Sample ID":"S18_3",
"Factors":{"ecotype":"Lov-5","tissue":"shoot"}
},
{
"Subject ID":"-",
"Sample ID":"S19_1",
"Factors":{"ecotype":"Mr-0","tissue":"shoot"}
},
{
"Subject ID":"-",
"Sample ID":"S19_2",
"Factors":{"ecotype":"Mr-0","tissue":"shoot"}
},
{
"Subject ID":"-",
"Sample ID":"S19_3",
"Factors":{"ecotype":"Mr-0","tissue":"shoot"}
},
{
"Subject ID":"-",
"Sample ID":"S20_1",
"Factors":{"ecotype":"Pna-17","tissue":"shoot"}
},
{
"Subject ID":"-",
"Sample ID":"S20_2",
"Factors":{"ecotype":"Pna-17","tissue":"shoot"}
},
{
"Subject ID":"-",
"Sample ID":"S20_3",
"Factors":{"ecotype":"Pna-17","tissue":"shoot"}
},
{
"Subject ID":"-",
"Sample ID":"S21_1",
"Factors":{"ecotype":"T540","tissue":"shoot"}
},
{
"Subject ID":"-",
"Sample ID":"S21_2",
"Factors":{"ecotype":"T540","tissue":"shoot"}
},
{
"Subject ID":"-",
"Sample ID":"S21_3",
"Factors":{"ecotype":"T540","tissue":"shoot"}
},
{
"Subject ID":"-",
"Sample ID":"S22_1",
"Factors":{"ecotype":"Tamm-2","tissue":"shoot"}
},
{
"Subject ID":"-",
"Sample ID":"S22_2",
"Factors":{"ecotype":"Tamm-2","tissue":"shoot"}
},
{
"Subject ID":"-",
"Sample ID":"S22_3",
"Factors":{"ecotype":"Tamm-2","tissue":"shoot"}
},
{
"Subject ID":"-",
"Sample ID":"S23_1",
"Factors":{"ecotype":"UKNW06-460","tissue":"shoot"}
},
{
"Subject ID":"-",
"Sample ID":"S23_2",
"Factors":{"ecotype":"UKNW06-460","tissue":"shoot"}
},
{
"Subject ID":"-",
"Sample ID":"S23_3",
"Factors":{"ecotype":"UKNW06-460","tissue":"shoot"}
},
{
"Subject ID":"-",
"Sample ID":"S24_1",
"Factors":{"ecotype":"Ty-0","tissue":"shoot"}
},
{
"Subject ID":"-",
"Sample ID":"S24_2",
"Factors":{"ecotype":"Ty-0","tissue":"shoot"}
},
{
"Subject ID":"-",
"Sample ID":"S24_3",
"Factors":{"ecotype":"Ty-0","tissue":"shoot"}
},
{
"Subject ID":"-",
"Sample ID":"R00_1",
"Factors":{"ecotype":"Col-0","tissue":"root"}
},
{
"Subject ID":"-",
"Sample ID":"R00_2",
"Factors":{"ecotype":"Col-0","tissue":"root"}
},
{
"Subject ID":"-",
"Sample ID":"R00_3",
"Factors":{"ecotype":"Col-0","tissue":"root"}
},
{
"Subject ID":"-",
"Sample ID":"R01_1",
"Factors":{"ecotype":"Cvi-0","tissue":"root"}
},
{
"Subject ID":"-",
"Sample ID":"R01_2",
"Factors":{"ecotype":"Cvi-0","tissue":"root"}
},
{
"Subject ID":"-",
"Sample ID":"R01_3",
"Factors":{"ecotype":"Cvi-0","tissue":"root"}
},
{
"Subject ID":"-",
"Sample ID":"R02_1",
"Factors":{"ecotype":"Bur-0","tissue":"root"}
},
{
"Subject ID":"-",
"Sample ID":"R02_2",
"Factors":{"ecotype":"Bur-0","tissue":"root"}
},
{
"Subject ID":"-",
"Sample ID":"R02_3",
"Factors":{"ecotype":"Bur-0","tissue":"root"}
},
{
"Subject ID":"-",
"Sample ID":"R03_1",
"Factors":{"ecotype":"MIB-22","tissue":"root"}
},
{
"Subject ID":"-",
"Sample ID":"R03_2",
"Factors":{"ecotype":"MIB-22","tissue":"root"}
},
{
"Subject ID":"-",
"Sample ID":"R03_3",
"Factors":{"ecotype":"MIB-22","tissue":"root"}
},
{
"Subject ID":"-",
"Sample ID":"R04_1",
"Factors":{"ecotype":"Shahdara","tissue":"root"}
},
{
"Subject ID":"-",
"Sample ID":"R04_2",
"Factors":{"ecotype":"Shahdara","tissue":"root"}
},
{
"Subject ID":"-",
"Sample ID":"R04_3",
"Factors":{"ecotype":"Shahdara","tissue":"root"}
},
{
"Subject ID":"-",
"Sample ID":"R05_1",
"Factors":{"ecotype":"Fei-0","tissue":"root"}
},
{
"Subject ID":"-",
"Sample ID":"R05_2",
"Factors":{"ecotype":"Fei-0","tissue":"root"}
},
{
"Subject ID":"-",
"Sample ID":"R05_3",
"Factors":{"ecotype":"Fei-0","tissue":"root"}
},
{
"Subject ID":"-",
"Sample ID":"R06_1",
"Factors":{"ecotype":"Bor-4","tissue":"root"}
},
{
"Subject ID":"-",
"Sample ID":"R06_2",
"Factors":{"ecotype":"Bor-4","tissue":"root"}
},
{
"Subject ID":"-",
"Sample ID":"R06_3",
"Factors":{"ecotype":"Bor-4","tissue":"root"}
},
{
"Subject ID":"-",
"Sample ID":"R07_1",
"Factors":{"ecotype":"Ts-1","tissue":"root"}
},
{
"Subject ID":"-",
"Sample ID":"R07_2",
"Factors":{"ecotype":"Ts-1","tissue":"root"}
},
{
"Subject ID":"-",
"Sample ID":"R07_3",
"Factors":{"ecotype":"Ts-1","tissue":"root"}
},
{
"Subject ID":"-",
"Sample ID":"R08_1",
"Factors":{"ecotype":"Tsu-0","tissue":"root"}
},
{
"Subject ID":"-",
"Sample ID":"R08_2",
"Factors":{"ecotype":"Tsu-0","tissue":"root"}
},
{
"Subject ID":"-",
"Sample ID":"R08_3",
"Factors":{"ecotype":"Tsu-0","tissue":"root"}
},
{
"Subject ID":"-",
"Sample ID":"R09_1",
"Factors":{"ecotype":"RRS-7","tissue":"root"}
},
{
"Subject ID":"-",
"Sample ID":"R09_2",
"Factors":{"ecotype":"RRS-7","tissue":"root"}
},
{
"Subject ID":"-",
"Sample ID":"R09_3",
"Factors":{"ecotype":"RRS-7","tissue":"root"}
},
{
"Subject ID":"-",
"Sample ID":"R10_1",
"Factors":{"ecotype":"Est-1","tissue":"root"}
},
{
"Subject ID":"-",
"Sample ID":"R10_2",
"Factors":{"ecotype":"Est-1","tissue":"root"}
},
{
"Subject ID":"-",
"Sample ID":"R10_3",
"Factors":{"ecotype":"Est-1","tissue":"root"}
},
{
"Subject ID":"-",
"Sample ID":"R11_1",
"Factors":{"ecotype":"Ler-1","tissue":"root"}
},
{
"Subject ID":"-",
"Sample ID":"R11_2",
"Factors":{"ecotype":"Ler-1","tissue":"root"}
},
{
"Subject ID":"-",
"Sample ID":"R11_3",
"Factors":{"ecotype":"Ler-1","tissue":"root"}
},
{
"Subject ID":"-",
"Sample ID":"R12_1",
"Factors":{"ecotype":"C24","tissue":"root"}
},
{
"Subject ID":"-",
"Sample ID":"R12_2",
"Factors":{"ecotype":"C24","tissue":"root"}
},
{
"Subject ID":"-",
"Sample ID":"R12_3",
"Factors":{"ecotype":"C24","tissue":"root"}
},
{
"Subject ID":"-",
"Sample ID":"R13_1",
"Factors":{"ecotype":"RRS-10","tissue":"root"}
},
{
"Subject ID":"-",
"Sample ID":"R13_2",
"Factors":{"ecotype":"RRS-10","tissue":"root"}
},
{
"Subject ID":"-",
"Sample ID":"R13_3",
"Factors":{"ecotype":"RRS-10","tissue":"root"}
},
{
"Subject ID":"-",
"Sample ID":"R14_1",
"Factors":{"ecotype":"Bla-1","tissue":"root"}
},
{
"Subject ID":"-",
"Sample ID":"R14_2",
"Factors":{"ecotype":"Bla-1","tissue":"root"}
},
{
"Subject ID":"-",
"Sample ID":"R14_3",
"Factors":{"ecotype":"Bla-1","tissue":"root"}
},
{
"Subject ID":"-",
"Sample ID":"R15_1",
"Factors":{"ecotype":"Br-0","tissue":"root"}
},
{
"Subject ID":"-",
"Sample ID":"R15_2",
"Factors":{"ecotype":"Br-0","tissue":"root"}
},
{
"Subject ID":"-",
"Sample ID":"R15_3",
"Factors":{"ecotype":"Br-0","tissue":"root"}
},
{
"Subject ID":"-",
"Sample ID":"R16_1",
"Factors":{"ecotype":"Got-7","tissue":"root"}
},
{
"Subject ID":"-",
"Sample ID":"R16_2",
"Factors":{"ecotype":"Got-7","tissue":"root"}
},
{
"Subject ID":"-",
"Sample ID":"R16_3",
"Factors":{"ecotype":"Got-7","tissue":"root"}
},
{
"Subject ID":"-",
"Sample ID":"R17_1",
"Factors":{"ecotype":"Kas-2","tissue":"root"}
},
{
"Subject ID":"-",
"Sample ID":"R17_2",
"Factors":{"ecotype":"Kas-2","tissue":"root"}
},
{
"Subject ID":"-",
"Sample ID":"R17_3",
"Factors":{"ecotype":"Kas-2","tissue":"root"}
},
{
"Subject ID":"-",
"Sample ID":"R18_1",
"Factors":{"ecotype":"Lov-5","tissue":"root"}
},
{
"Subject ID":"-",
"Sample ID":"R18_2",
"Factors":{"ecotype":"Lov-5","tissue":"root"}
},
{
"Subject ID":"-",
"Sample ID":"R18_3",
"Factors":{"ecotype":"Lov-5","tissue":"root"}
},
{
"Subject ID":"-",
"Sample ID":"R19_1",
"Factors":{"ecotype":"Mr-0","tissue":"root"}
},
{
"Subject ID":"-",
"Sample ID":"R19_2",
"Factors":{"ecotype":"Mr-0","tissue":"root"}
},
{
"Subject ID":"-",
"Sample ID":"R19_3",
"Factors":{"ecotype":"Mr-0","tissue":"root"}
},
{
"Subject ID":"-",
"Sample ID":"R20_1",
"Factors":{"ecotype":"Pna-17","tissue":"root"}
},
{
"Subject ID":"-",
"Sample ID":"R20_2",
"Factors":{"ecotype":"Pna-17","tissue":"root"}
},
{
"Subject ID":"-",
"Sample ID":"R20_3",
"Factors":{"ecotype":"Pna-17","tissue":"root"}
},
{
"Subject ID":"-",
"Sample ID":"R21_1",
"Factors":{"ecotype":"T540","tissue":"root"}
},
{
"Subject ID":"-",
"Sample ID":"R21_2",
"Factors":{"ecotype":"T540","tissue":"root"}
},
{
"Subject ID":"-",
"Sample ID":"R21_3",
"Factors":{"ecotype":"T540","tissue":"root"}
},
{
"Subject ID":"-",
"Sample ID":"R22_1",
"Factors":{"ecotype":"Tamm-2","tissue":"root"}
},
{
"Subject ID":"-",
"Sample ID":"R22_2",
"Factors":{"ecotype":"Tamm-2","tissue":"root"}
},
{
"Subject ID":"-",
"Sample ID":"R22_3",
"Factors":{"ecotype":"Tamm-2","tissue":"root"}
},
{
"Subject ID":"-",
"Sample ID":"R23_1",
"Factors":{"ecotype":"UKNW06-460","tissue":"root"}
},
{
"Subject ID":"-",
"Sample ID":"R23_2",
"Factors":{"ecotype":"UKNW06-460","tissue":"root"}
},
{
"Subject ID":"-",
"Sample ID":"R23_3",
"Factors":{"ecotype":"UKNW06-460","tissue":"root"}
},
{
"Subject ID":"-",
"Sample ID":"R24_1",
"Factors":{"ecotype":"Ty-0","tissue":"root"}
},
{
"Subject ID":"-",
"Sample ID":"R24_2",
"Factors":{"ecotype":"Ty-0","tissue":"root"}
},
{
"Subject ID":"-",
"Sample ID":"R24_3",
"Factors":{"ecotype":"Ty-0","tissue":"root"}
}
],
"COLLECTION":{"COLLECTION_SUMMARY":"The ABRC stock IDs are stored in the uploaded data folder. Sterilized seeds were kept for 2 days at 4 degreeC in the dark, and then sown on Murashige and Skoog (MS) medium agar containing 1% sucrose. All plates were placed in a growth chamber at 22 degreeC under a 16-hr light (approximately 40 micro mol/(sec m^2)/8-hr dark cycle. After 3-week cultivation the plants were harvested and shoot and root parts were immediately frozen in liquid nitrogen and lyophilized at -55 degreeC. Lyophilized samples were stored at -80 degreeC until use. Three technical replicates for each strain were prepared from quenched samples.","SAMPLE_TYPE":"Plant"},

"TREATMENT":{"TREATMENT_SUMMARY":"NA"},

"SAMPLEPREP":{"SAMPLEPREP_SUMMARY":"Samples (3 mg) of dried plant tissues were weighted in a 2.0-ml microtube (Sarstedt). Their metabolites were extracted with 150 µl of 80% MeOH containing 2.5 µM lidocaine and 10-camphour sulfonic acid per mg of dry weight using a mixer-mill with zirconia beads [7 min at 18 Hz and 4 degree C (MM300; Retsch)]. After 10-min centrifugation at 17,800 g the supernatant was filtered using an HLB µElution plate (Waters)."},

"CHROMATOGRAPHY":{"CHROMATOGRAPHY_TYPE":"Reversed phase","INSTRUMENT_NAME":"Waters Acquity","COLUMN_NAME":"Waters Acquity BEH C18 (100 x 2.1mm, 1.7um)","FLOW_GRADIENT":"99.5% solvent A/0.5% solvent B at 0 min, 99.5%A/0.5%B at 0.1 min, 20%A/80%B at 10 min, 0.5%A/99.5%B at 10.1 min, 0.5%A/99.5%B at 12.0 min, 99.5%A/0.5%B at 12.1 min and 99.5%A/0.5%B at 15.0 min","FLOW_RATE":"0.3 ml/min at 0 min, 0.3 ml/min at 10 min, 0.4 ml/min at 10.1 min, 0.4 ml/min at 14.4 min, and 0.3 ml/min at 14.5 min","COLUMN_TEMPERATURE":"40","SOLVENT_A":"water including 0.1% formic acid","SOLVENT_B":"acetonitrile including 0.1% formic acid"},

"ANALYSIS":{"ANALYSIS_TYPE":"MS","DATA_FORMAT":".raw"},

"MS":{"MS_COMMENTS":"-","INSTRUMENT_NAME":"Waters Synapt G2 S QTOF","INSTRUMENT_TYPE":"QTOF","MS_TYPE":"ESI","ION_MODE":"POSITIVE","CAPILLARY_VOLTAGE":"+3.00 kV","COLLISION_ENERGY":"6 V","SOURCE_TEMPERATURE":"120","DESOLVATION_GAS_FLOW":"800 l/hr","DESOLVATION_TEMPERATURE":"450 degree C","SCAN_RANGE_MOVERZ":"50 - 1500","MS_RESULTS_FILE":"ST001096_AN001783_Results.txt UNITS:Peak intensity Has m/z:Yes Has RT:Yes RT units:Minutes"}

}