{
"METABOLOMICS WORKBENCH":{"STUDY_ID":"ST002466","ANALYSIS_ID":"AN004022","VERSION":"1","CREATED_ON":"February 6, 2023, 8:23 am"},

"PROJECT":{"PROJECT_TITLE":"Dynamic 13C-labeling and metabolic flux analysis unveils metabolic differences between two fast-growing cyanobacteria S. elongatus PCC 11801 and 11802","PROJECT_SUMMARY":"The project aims to identify the metabolic differences between two promising non-model cyanobacterial strains, Synechococcus elongatus PCC 11801 and PCC 11802.","INSTITUTE":"Indian Institute of Technology Bombay","DEPARTMENT":"Chemical Engineering","LABORATORY":"Biosystems and Bioengineering Lab","LAST_NAME":"Wangikar","FIRST_NAME":"Pramod","ADDRESS":"Biosystems and Bioengineering Lab, Department of Chemical Engineering, IIT Bombay, Powai, Mumbai, Maharashtra, India -400076","EMAIL":"wangikar@iitb.ac.in","PHONE":"+91 22 2576 72 32","FUNDING_SOURCE":"Department of Biotechnology, Ministry of Science, India","CONTRIBUTORS":"Damini Jaiswal"},

"STUDY":{"STUDY_TITLE":"Deciphering the metabolomic differences between two fast-growing cyanobacteria, S.elongatus PCC 11801 and 11802 via 13C-metabolic flux analysis","STUDY_SUMMARY":"The study aims to identify the metabolic differences between two promising fast-growing, non-model cyanobacterial strains, S. elongatus PCC 11801 and PCC 11802. To this end, dynamic 13C-labeling experiments were carried out in the two cyanobacterial strains grown in shake flasks at a similar light intensity of approx. 300-350 µmole photons.m-2. s-1. The samples for metabolomics analysis were collected during the exponential growth phase at an optical cell density of 0.5-0.6. The detailed protocol for experiment can be found in the protocol file.","INSTITUTE":"Indian Institute of Technology Bombay","DEPARTMENT":"Chemical Engineering","LAST_NAME":"Wangikar","FIRST_NAME":"Pramod","ADDRESS":"Biosystems and Bioengineering Lab, Department of Chemical Engineering, IIT Bombay, Powai, Mumbai, Maharashtra, India -400076","EMAIL":"wangikar@iitb.ac.in","PHONE":"+91 22 2576 72 32"},

"SUBJECT":{"SUBJECT_TYPE":"Bacteria","SUBJECT_SPECIES":"Synechococcus elongatus","TAXONOMY_ID":"2219813"},
"SUBJECT_SAMPLE_FACTORS":[
{
"Subject ID":"S. elongatus PCC 11801",
"Sample ID":"PCC11801 0 SEC SWATH1-1 BR1",
"Factors":{"Time point of 13C labeling (s)":"0","SWATH Program":"SWATH 1"},
"Additional sample data":{"Biological Replicate":"BR1","Technical Replicate":"TR1","RAW_FILE_NAME":"PCC11801 0 SEC SWATH1-1 BR1.mzML"}
},
{
"Subject ID":"S. elongatus PCC 11801",
"Sample ID":"PCC11801 0 SEC SWATH1-2 BR1",
"Factors":{"Time point of 13C labeling (s)":"0","SWATH Program":"SWATH 1"},
"Additional sample data":{"Biological Replicate":"BR1","Technical Replicate":"TR2","RAW_FILE_NAME":"PCC11801 0 SEC SWATH1-2 BR1.mzML"}
},
{
"Subject ID":"S. elongatus PCC 11801",
"Sample ID":"PCC11801 0 SEC SWATH2-1 BR1",
"Factors":{"Time point of 13C labeling (s)":"0","SWATH Program":"SWATH 2"},
"Additional sample data":{"Biological Replicate":"BR1","Technical Replicate":"TR1","RAW_FILE_NAME":"PCC11801 0 SEC SWATH2-1 BR1.mzML"}
},
{
"Subject ID":"S. elongatus PCC 11801",
"Sample ID":"PCC11801 0 SEC SWATH2-2 BR1",
"Factors":{"Time point of 13C labeling (s)":"0","SWATH Program":"SWATH 2"},
"Additional sample data":{"Biological Replicate":"BR1","Technical Replicate":"TR2","RAW_FILE_NAME":"PCC11801 0 SEC SWATH2-2 BR1.mzML"}
},
{
"Subject ID":"S. elongatus PCC 11801",
"Sample ID":"PCC11801 0 SEC SWATH4-1 BR1",
"Factors":{"Time point of 13C labeling (s)":"0","SWATH Program":"SWATH 4"},
"Additional sample data":{"Biological Replicate":"BR1","Technical Replicate":"TR1","RAW_FILE_NAME":"PCC11801 0 SEC SWATH4-1 BR1.mzML"}
},
{
"Subject ID":"S. elongatus PCC 11801",
"Sample ID":"PCC11801 0 SEC SWATH4-2 BR1",
"Factors":{"Time point of 13C labeling (s)":"0","SWATH Program":"SWATH 4"},
"Additional sample data":{"Biological Replicate":"BR1","Technical Replicate":"TR2","RAW_FILE_NAME":"PCC11801 0 SEC SWATH4-2 BR1.mzML"}
},
{
"Subject ID":"S. elongatus PCC 11801",
"Sample ID":"PCC11801 30 SEC SWATH1-1 BR1",
"Factors":{"Time point of 13C labeling (s)":"30","SWATH Program":"SWATH 1"},
"Additional sample data":{"Biological Replicate":"BR1","Technical Replicate":"TR1","RAW_FILE_NAME":"PCC11801 30 SEC SWATH1-1 BR1.mzML"}
},
{
"Subject ID":"S. elongatus PCC 11801",
"Sample ID":"PCC11801 30 SEC SWATH1-2 BR1",
"Factors":{"Time point of 13C labeling (s)":"30","SWATH Program":"SWATH 1"},
"Additional sample data":{"Biological Replicate":"BR1","Technical Replicate":"TR2","RAW_FILE_NAME":"PCC11801 30 SEC SWATH1-2 BR1.mzML"}
},
{
"Subject ID":"S. elongatus PCC 11801",
"Sample ID":"PCC11801 30 SEC SWATH2-1 BR1",
"Factors":{"Time point of 13C labeling (s)":"30","SWATH Program":"SWATH 2"},
"Additional sample data":{"Biological Replicate":"BR1","Technical Replicate":"TR1","RAW_FILE_NAME":"PCC11801 30 SEC SWATH2-1 BR1.mzML"}
},
{
"Subject ID":"S. elongatus PCC 11801",
"Sample ID":"PCC11801 30 SEC SWATH2-2 BR1",
"Factors":{"Time point of 13C labeling (s)":"30","SWATH Program":"SWATH 2"},
"Additional sample data":{"Biological Replicate":"BR1","Technical Replicate":"TR2","RAW_FILE_NAME":"PCC11801 30 SEC SWATH2-2 BR1.mzML"}
},
{
"Subject ID":"S. elongatus PCC 11801",
"Sample ID":"PCC11801 30 SEC SWATH4-1 BR1",
"Factors":{"Time point of 13C labeling (s)":"30","SWATH Program":"SWATH 4"},
"Additional sample data":{"Biological Replicate":"BR1","Technical Replicate":"TR1","RAW_FILE_NAME":"PCC11801 30 SEC SWATH4-1 BR1.mzML"}
},
{
"Subject ID":"S. elongatus PCC 11801",
"Sample ID":"PCC11801 30 SEC SWATH4-2 BR1",
"Factors":{"Time point of 13C labeling (s)":"30","SWATH Program":"SWATH 4"},
"Additional sample data":{"Biological Replicate":"BR1","Technical Replicate":"TR2","RAW_FILE_NAME":"PCC11801 30 SEC SWATH4-2 BR1.mzML"}
},
{
"Subject ID":"S. elongatus PCC 11801",
"Sample ID":"PCC11801 60 SEC SWATH1-1 BR1",
"Factors":{"Time point of 13C labeling (s)":"60","SWATH Program":"SWATH 1"},
"Additional sample data":{"Biological Replicate":"BR1","Technical Replicate":"TR1","RAW_FILE_NAME":"PCC11801 60 SEC SWATH1-1 BR1.mzML"}
},
{
"Subject ID":"S. elongatus PCC 11801",
"Sample ID":"PCC11801 60 SEC SWATH1-2 BR1",
"Factors":{"Time point of 13C labeling (s)":"60","SWATH Program":"SWATH 1"},
"Additional sample data":{"Biological Replicate":"BR1","Technical Replicate":"TR2","RAW_FILE_NAME":"PCC11801 60 SEC SWATH1-2 BR1.mzML"}
},
{
"Subject ID":"S. elongatus PCC 11801",
"Sample ID":"PCC11801 60 SEC SWATH2-1 BR1",
"Factors":{"Time point of 13C labeling (s)":"60","SWATH Program":"SWATH 2"},
"Additional sample data":{"Biological Replicate":"BR1","Technical Replicate":"TR1","RAW_FILE_NAME":"PCC11801 60 SEC SWATH2-1 BR1.mzML"}
},
{
"Subject ID":"S. elongatus PCC 11801",
"Sample ID":"PCC11801 60 SEC SWATH2-2 BR1",
"Factors":{"Time point of 13C labeling (s)":"60","SWATH Program":"SWATH 2"},
"Additional sample data":{"Biological Replicate":"BR1","Technical Replicate":"TR2","RAW_FILE_NAME":"PCC11801 60 SEC SWATH2-2 BR1.mzML"}
},
{
"Subject ID":"S. elongatus PCC 11801",
"Sample ID":"PCC11801 60 SEC SWATH4-1 BR1",
"Factors":{"Time point of 13C labeling (s)":"60","SWATH Program":"SWATH 4"},
"Additional sample data":{"Biological Replicate":"BR1","Technical Replicate":"TR1","RAW_FILE_NAME":"PCC11801 60 SEC SWATH4-1 BR1.mzML"}
},
{
"Subject ID":"S. elongatus PCC 11801",
"Sample ID":"PCC11801 60 SEC SWATH4-2 BR1",
"Factors":{"Time point of 13C labeling (s)":"60","SWATH Program":"SWATH 4"},
"Additional sample data":{"Biological Replicate":"BR1","Technical Replicate":"TR2","RAW_FILE_NAME":"PCC11801 60 SEC SWATH4-2 BR1.mzML"}
},
{
"Subject ID":"S. elongatus PCC 11801",
"Sample ID":"PCC11801 90 SEC SWATH1-1 BR1",
"Factors":{"Time point of 13C labeling (s)":"90","SWATH Program":"SWATH 1"},
"Additional sample data":{"Biological Replicate":"BR1","Technical Replicate":"TR1","RAW_FILE_NAME":"PCC11801 90 SEC SWATH1-1 BR1.mzML"}
},
{
"Subject ID":"S. elongatus PCC 11801",
"Sample ID":"PCC11801 90 SEC SWATH1-2 BR1",
"Factors":{"Time point of 13C labeling (s)":"90","SWATH Program":"SWATH 1"},
"Additional sample data":{"Biological Replicate":"BR1","Technical Replicate":"TR2","RAW_FILE_NAME":"PCC11801 90 SEC SWATH1-2 BR1.mzML"}
},
{
"Subject ID":"S. elongatus PCC 11801",
"Sample ID":"PCC11801 90 SEC SWATH2-1 BR1",
"Factors":{"Time point of 13C labeling (s)":"90","SWATH Program":"SWATH 2"},
"Additional sample data":{"Biological Replicate":"BR1","Technical Replicate":"TR1","RAW_FILE_NAME":"PCC11801 90 SEC SWATH2-1 BR1.mzML"}
},
{
"Subject ID":"S. elongatus PCC 11801",
"Sample ID":"PCC11801 90 SEC SWATH2-2 BR1",
"Factors":{"Time point of 13C labeling (s)":"90","SWATH Program":"SWATH 2"},
"Additional sample data":{"Biological Replicate":"BR1","Technical Replicate":"TR2","RAW_FILE_NAME":"PCC11801 90 SEC SWATH2-2 BR1.mzML"}
},
{
"Subject ID":"S. elongatus PCC 11801",
"Sample ID":"PCC11801 90 SEC SWATH4-1 BR1",
"Factors":{"Time point of 13C labeling (s)":"90","SWATH Program":"SWATH 4"},
"Additional sample data":{"Biological Replicate":"BR1","Technical Replicate":"TR1","RAW_FILE_NAME":"PCC11801 90 SEC SWATH4-1 BR1.mzML"}
},
{
"Subject ID":"S. elongatus PCC 11801",
"Sample ID":"PCC11801 90 SEC SWATH4-2 BR1",
"Factors":{"Time point of 13C labeling (s)":"90","SWATH Program":"SWATH 4"},
"Additional sample data":{"Biological Replicate":"BR1","Technical Replicate":"TR2","RAW_FILE_NAME":"PCC11801 90 SEC SWATH4-2 BR1.mzML"}
},
{
"Subject ID":"S. elongatus PCC 11801",
"Sample ID":"PCC11801 120 SEC SWATH1-1 BR1",
"Factors":{"Time point of 13C labeling (s)":"120","SWATH Program":"SWATH 1"},
"Additional sample data":{"Biological Replicate":"BR1","Technical Replicate":"TR1","RAW_FILE_NAME":"PCC11801 120 SEC SWATH1-1 BR1.mzML"}
},
{
"Subject ID":"S. elongatus PCC 11801",
"Sample ID":"PCC11801 120 SEC SWATH1-2 BR1",
"Factors":{"Time point of 13C labeling (s)":"120","SWATH Program":"SWATH 1"},
"Additional sample data":{"Biological Replicate":"BR1","Technical Replicate":"TR2","RAW_FILE_NAME":"PCC11801 120 SEC SWATH1-2 BR1.mzML"}
},
{
"Subject ID":"S. elongatus PCC 11801",
"Sample ID":"PCC11801 120 SEC SWATH2-1 BR1",
"Factors":{"Time point of 13C labeling (s)":"120","SWATH Program":"SWATH 2"},
"Additional sample data":{"Biological Replicate":"BR1","Technical Replicate":"TR1","RAW_FILE_NAME":"PCC11801 120 SEC SWATH2-1 BR1.mzML"}
},
{
"Subject ID":"S. elongatus PCC 11801",
"Sample ID":"PCC11801 120 SEC SWATH2-2 BR1",
"Factors":{"Time point of 13C labeling (s)":"120","SWATH Program":"SWATH 2"},
"Additional sample data":{"Biological Replicate":"BR1","Technical Replicate":"TR2","RAW_FILE_NAME":"PCC11801 120 SEC SWATH2-2 BR1.mzML"}
},
{
"Subject ID":"S. elongatus PCC 11801",
"Sample ID":"PCC11801 120 SEC SWATH4-1 BR1",
"Factors":{"Time point of 13C labeling (s)":"120","SWATH Program":"SWATH 4"},
"Additional sample data":{"Biological Replicate":"BR1","Technical Replicate":"TR1","RAW_FILE_NAME":"PCC11801 120 SEC SWATH4-1 BR1.mzML"}
},
{
"Subject ID":"S. elongatus PCC 11801",
"Sample ID":"PCC11801 120 SEC SWATH4-2 BR1",
"Factors":{"Time point of 13C labeling (s)":"120","SWATH Program":"SWATH 4"},
"Additional sample data":{"Biological Replicate":"BR1","Technical Replicate":"TR2","RAW_FILE_NAME":"PCC11801 120 SEC SWATH4-2 BR1.mzML"}
},
{
"Subject ID":"S. elongatus PCC 11801",
"Sample ID":"PCC11801 180 SEC SWATH1-1 BR1",
"Factors":{"Time point of 13C labeling (s)":"180","SWATH Program":"SWATH 1"},
"Additional sample data":{"Biological Replicate":"BR1","Technical Replicate":"TR1","RAW_FILE_NAME":"PCC11801 180 SEC SWATH1-1 BR1.mzML"}
},
{
"Subject ID":"S. elongatus PCC 11801",
"Sample ID":"PCC11801 180 SEC SWATH1-2 BR1",
"Factors":{"Time point of 13C labeling (s)":"180","SWATH Program":"SWATH 1"},
"Additional sample data":{"Biological Replicate":"BR1","Technical Replicate":"TR2","RAW_FILE_NAME":"PCC11801 180 SEC SWATH1-2 BR1.mzML"}
},
{
"Subject ID":"S. elongatus PCC 11801",
"Sample ID":"PCC11801 180 SEC SWATH2-1 BR1",
"Factors":{"Time point of 13C labeling (s)":"180","SWATH Program":"SWATH 2"},
"Additional sample data":{"Biological Replicate":"BR1","Technical Replicate":"TR1","RAW_FILE_NAME":"PCC11801 180 SEC SWATH2-1 BR1.mzML"}
},
{
"Subject ID":"S. elongatus PCC 11801",
"Sample ID":"PCC11801 180 SEC SWATH2-2 BR1",
"Factors":{"Time point of 13C labeling (s)":"180","SWATH Program":"SWATH 2"},
"Additional sample data":{"Biological Replicate":"BR1","Technical Replicate":"TR2","RAW_FILE_NAME":"PCC11801 180 SEC SWATH2-2 BR1.mzML"}
},
{
"Subject ID":"S. elongatus PCC 11801",
"Sample ID":"PCC11801 180 SEC SWATH4-1 BR1",
"Factors":{"Time point of 13C labeling (s)":"180","SWATH Program":"SWATH 4"},
"Additional sample data":{"Biological Replicate":"BR1","Technical Replicate":"TR1","RAW_FILE_NAME":"PCC11801 180 SEC SWATH4-1 BR1.mzML"}
},
{
"Subject ID":"S. elongatus PCC 11801",
"Sample ID":"PCC11801 180 SEC SWATH4-2 BR1",
"Factors":{"Time point of 13C labeling (s)":"180","SWATH Program":"SWATH 4"},
"Additional sample data":{"Biological Replicate":"BR1","Technical Replicate":"TR2","RAW_FILE_NAME":"PCC11801 180 SEC SWATH4-2 BR1.mzML"}
},
{
"Subject ID":"S. elongatus PCC 11801",
"Sample ID":"PCC11801 300 SEC SWATH1-1 BR1",
"Factors":{"Time point of 13C labeling (s)":"300","SWATH Program":"SWATH 1"},
"Additional sample data":{"Biological Replicate":"BR1","Technical Replicate":"TR1","RAW_FILE_NAME":"PCC11801 300 SEC SWATH1-1 BR1.mzML"}
},
{
"Subject ID":"S. elongatus PCC 11801",
"Sample ID":"PCC11801 300 SEC SWATH1-2 BR1",
"Factors":{"Time point of 13C labeling (s)":"300","SWATH Program":"SWATH 1"},
"Additional sample data":{"Biological Replicate":"BR1","Technical Replicate":"TR2","RAW_FILE_NAME":"PCC11801 300 SEC SWATH1-2 BR1.mzML"}
},
{
"Subject ID":"S. elongatus PCC 11801",
"Sample ID":"PCC11801 300 SEC SWATH2-1 BR1",
"Factors":{"Time point of 13C labeling (s)":"300","SWATH Program":"SWATH 2"},
"Additional sample data":{"Biological Replicate":"BR1","Technical Replicate":"TR1","RAW_FILE_NAME":"PCC11801 300 SEC SWATH2-1 BR1.mzML"}
},
{
"Subject ID":"S. elongatus PCC 11801",
"Sample ID":"PCC11801 300 SEC SWATH2-2 BR1",
"Factors":{"Time point of 13C labeling (s)":"300","SWATH Program":"SWATH 2"},
"Additional sample data":{"Biological Replicate":"BR1","Technical Replicate":"TR2","RAW_FILE_NAME":"PCC11801 300 SEC SWATH2-2 BR1.mzML"}
},
{
"Subject ID":"S. elongatus PCC 11801",
"Sample ID":"PCC11801 300 SEC SWATH4-1 BR1",
"Factors":{"Time point of 13C labeling (s)":"300","SWATH Program":"SWATH 4"},
"Additional sample data":{"Biological Replicate":"BR1","Technical Replicate":"TR1","RAW_FILE_NAME":"PCC11801 300 SEC SWATH4-1 BR1.mzML"}
},
{
"Subject ID":"S. elongatus PCC 11801",
"Sample ID":"PCC11801 300 SEC SWATH4-2 BR1",
"Factors":{"Time point of 13C labeling (s)":"300","SWATH Program":"SWATH 4"},
"Additional sample data":{"Biological Replicate":"BR1","Technical Replicate":"TR2","RAW_FILE_NAME":"PCC11801 300 SEC SWATH4-2 BR1.mzML"}
},
{
"Subject ID":"S. elongatus PCC 11801",
"Sample ID":"PCC11801 600 SEC SWATH1-1 BR1",
"Factors":{"Time point of 13C labeling (s)":"600","SWATH Program":"SWATH 1"},
"Additional sample data":{"Biological Replicate":"BR1","Technical Replicate":"TR1","RAW_FILE_NAME":"PCC11801 600 SEC SWATH1-1 BR1.mzML"}
},
{
"Subject ID":"S. elongatus PCC 11801",
"Sample ID":"PCC11801 600 SEC SWATH1-2 BR1",
"Factors":{"Time point of 13C labeling (s)":"600","SWATH Program":"SWATH 1"},
"Additional sample data":{"Biological Replicate":"BR1","Technical Replicate":"TR2","RAW_FILE_NAME":"PCC11801 600 SEC SWATH1-2 BR1.mzML"}
},
{
"Subject ID":"S. elongatus PCC 11801",
"Sample ID":"PCC11801 600 SEC SWATH2-1 BR1",
"Factors":{"Time point of 13C labeling (s)":"600","SWATH Program":"SWATH 2"},
"Additional sample data":{"Biological Replicate":"BR1","Technical Replicate":"TR1","RAW_FILE_NAME":"PCC11801 600 SEC SWATH2-1 BR1.mzML"}
},
{
"Subject ID":"S. elongatus PCC 11801",
"Sample ID":"PCC11801 600 SEC SWATH2-2 BR1",
"Factors":{"Time point of 13C labeling (s)":"600","SWATH Program":"SWATH 2"},
"Additional sample data":{"Biological Replicate":"BR1","Technical Replicate":"TR2","RAW_FILE_NAME":"PCC11801 600 SEC SWATH2-2 BR1.mzML"}
},
{
"Subject ID":"S. elongatus PCC 11801",
"Sample ID":"PCC11801 600 SEC SWATH4-1 BR1",
"Factors":{"Time point of 13C labeling (s)":"600","SWATH Program":"SWATH 4"},
"Additional sample data":{"Biological Replicate":"BR1","Technical Replicate":"TR1","RAW_FILE_NAME":"PCC11801 600 SEC SWATH4-1 BR1.mzML"}
},
{
"Subject ID":"S. elongatus PCC 11801",
"Sample ID":"PCC11801 600 SEC SWATH4-2 BR1",
"Factors":{"Time point of 13C labeling (s)":"600","SWATH Program":"SWATH 4"},
"Additional sample data":{"Biological Replicate":"BR1","Technical Replicate":"TR2","RAW_FILE_NAME":"PCC11801 600 SEC SWATH4-2 BR1.mzML"}
},
{
"Subject ID":"S. elongatus PCC 11801",
"Sample ID":"PCC 11801 1800 SEC SWATH1-1 BR1",
"Factors":{"Time point of 13C labeling (s)":"1800","SWATH Program":"SWATH 1"},
"Additional sample data":{"Biological Replicate":"BR1","Technical Replicate":"TR1","RAW_FILE_NAME":"PCC 11801 1800 SEC SWATH1-1 BR1.mzML"}
},
{
"Subject ID":"S. elongatus PCC 11801",
"Sample ID":"PCC 11801 1800 SEC SWATH1-2 BR1",
"Factors":{"Time point of 13C labeling (s)":"1800","SWATH Program":"SWATH 1"},
"Additional sample data":{"Biological Replicate":"BR1","Technical Replicate":"TR2","RAW_FILE_NAME":"PCC 11801 1800 SEC SWATH1-2 BR1.mzML"}
},
{
"Subject ID":"S. elongatus PCC 11801",
"Sample ID":"PCC 11801 1800 SEC SWATH2-1 BR1",
"Factors":{"Time point of 13C labeling (s)":"1800","SWATH Program":"SWATH 2"},
"Additional sample data":{"Biological Replicate":"BR1","Technical Replicate":"TR1","RAW_FILE_NAME":"PCC 11801 1800 SEC SWATH2-1 BR1.mzML"}
},
{
"Subject ID":"S. elongatus PCC 11801",
"Sample ID":"PCC 11801 1800 SEC SWATH2-2 BR1",
"Factors":{"Time point of 13C labeling (s)":"1800","SWATH Program":"SWATH 2"},
"Additional sample data":{"Biological Replicate":"BR1","Technical Replicate":"TR2","RAW_FILE_NAME":"PCC 11801 1800 SEC SWATH2-2 BR1.mzML"}
},
{
"Subject ID":"S. elongatus PCC 11801",
"Sample ID":"PCC 11801 1800 SEC SWATH4-1 BR1",
"Factors":{"Time point of 13C labeling (s)":"1800","SWATH Program":"SWATH 4"},
"Additional sample data":{"Biological Replicate":"BR1","Technical Replicate":"TR1","RAW_FILE_NAME":"PCC 11801 1800 SEC SWATH4-1 BR1.mzML"}
},
{
"Subject ID":"S. elongatus PCC 11801",
"Sample ID":"PCC 11801 1800 SEC SWATH4-2 BR1",
"Factors":{"Time point of 13C labeling (s)":"1800","SWATH Program":"SWATH 4"},
"Additional sample data":{"Biological Replicate":"BR1","Technical Replicate":"TR2","RAW_FILE_NAME":"PCC 11801 1800 SEC SWATH4-2 BR1.mzML"}
},
{
"Subject ID":"S. elongatus PCC 11801",
"Sample ID":"PCC 11801 3600 SEC SWATH1-1 BR1",
"Factors":{"Time point of 13C labeling (s)":"3600","SWATH Program":"SWATH 1"},
"Additional sample data":{"Biological Replicate":"BR1","Technical Replicate":"TR1","RAW_FILE_NAME":"PCC 11801 3600 SEC SWATH1-1 BR1.mzML"}
},
{
"Subject ID":"S. elongatus PCC 11801",
"Sample ID":"PCC 11801 3600 SEC SWATH1-2 BR1",
"Factors":{"Time point of 13C labeling (s)":"3600","SWATH Program":"SWATH 1"},
"Additional sample data":{"Biological Replicate":"BR1","Technical Replicate":"TR2","RAW_FILE_NAME":"PCC 11801 3600 SEC SWATH1-2 BR1.mzML"}
},
{
"Subject ID":"S. elongatus PCC 11801",
"Sample ID":"PCC 11801 3600 SEC SWATH2-1 BR1",
"Factors":{"Time point of 13C labeling (s)":"3600","SWATH Program":"SWATH 2"},
"Additional sample data":{"Biological Replicate":"BR1","Technical Replicate":"TR1","RAW_FILE_NAME":"PCC 11801 3600 SEC SWATH2-1 BR1.mzML"}
},
{
"Subject ID":"S. elongatus PCC 11801",
"Sample ID":"PCC 11801 3600 SEC SWATH2-2 BR1",
"Factors":{"Time point of 13C labeling (s)":"3600","SWATH Program":"SWATH 2"},
"Additional sample data":{"Biological Replicate":"BR1","Technical Replicate":"TR2","RAW_FILE_NAME":"PCC 11801 3600 SEC SWATH2-2 BR1.mzML"}
},
{
"Subject ID":"S. elongatus PCC 11801",
"Sample ID":"PCC 11801 3600 SEC SWATH4-1 BR1",
"Factors":{"Time point of 13C labeling (s)":"3600","SWATH Program":"SWATH 4"},
"Additional sample data":{"Biological Replicate":"BR1","Technical Replicate":"TR1","RAW_FILE_NAME":"PCC 11801 3600 SEC SWATH4-1 BR1.mzML"}
},
{
"Subject ID":"S. elongatus PCC 11801",
"Sample ID":"PCC 11801 3600 SEC SWATH4-2 BR1",
"Factors":{"Time point of 13C labeling (s)":"3600","SWATH Program":"SWATH 4"},
"Additional sample data":{"Biological Replicate":"BR1","Technical Replicate":"TR2","RAW_FILE_NAME":"PCC 11801 3600 SEC SWATH4-2 BR1.mzML"}
},
{
"Subject ID":"S. elongatus PCC 11801",
"Sample ID":"PCC 11801 7200 SEC SWATH1-1 BR1",
"Factors":{"Time point of 13C labeling (s)":"7200","SWATH Program":"SWATH 1"},
"Additional sample data":{"Biological Replicate":"BR1","Technical Replicate":"TR1","RAW_FILE_NAME":"PCC 11801 7200 SEC SWATH1-1 BR1.mzML"}
},
{
"Subject ID":"S. elongatus PCC 11801",
"Sample ID":"PCC 11801 7200 SEC SWATH1-2 BR1",
"Factors":{"Time point of 13C labeling (s)":"7200","SWATH Program":"SWATH 1"},
"Additional sample data":{"Biological Replicate":"BR1","Technical Replicate":"TR2","RAW_FILE_NAME":"PCC 11801 7200 SEC SWATH1-2 BR1.mzML"}
},
{
"Subject ID":"S. elongatus PCC 11801",
"Sample ID":"PCC 11801 7200 SEC SWATH2-1 BR1",
"Factors":{"Time point of 13C labeling (s)":"7200","SWATH Program":"SWATH 2"},
"Additional sample data":{"Biological Replicate":"BR1","Technical Replicate":"TR1","RAW_FILE_NAME":"PCC 11801 7200 SEC SWATH2-1 BR1.mzML"}
},
{
"Subject ID":"S. elongatus PCC 11801",
"Sample ID":"PCC 11801 7200 SEC SWATH2-2 BR1",
"Factors":{"Time point of 13C labeling (s)":"7200","SWATH Program":"SWATH 2"},
"Additional sample data":{"Biological Replicate":"BR1","Technical Replicate":"TR2","RAW_FILE_NAME":"PCC 11801 7200 SEC SWATH2-2 BR1.mzML"}
},
{
"Subject ID":"S. elongatus PCC 11801",
"Sample ID":"PCC 11801 7200 SEC SWATH4-1 BR1",
"Factors":{"Time point of 13C labeling (s)":"7200","SWATH Program":"SWATH 4"},
"Additional sample data":{"Biological Replicate":"BR1","Technical Replicate":"TR1","RAW_FILE_NAME":"PCC 11801 7200 SEC SWATH4-1 BR1.mzML"}
},
{
"Subject ID":"S. elongatus PCC 11801",
"Sample ID":"PCC 11801 7200 SEC SWATH4-2 BR1",
"Factors":{"Time point of 13C labeling (s)":"7200","SWATH Program":"SWATH 4"},
"Additional sample data":{"Biological Replicate":"BR1","Technical Replicate":"TR2","RAW_FILE_NAME":"PCC 11801 7200 SEC SWATH4-2 BR1.mzML"}
},
{
"Subject ID":"S. elongatus PCC 11801",
"Sample ID":"PCC 11801 0 SEC SWATH1-1 BR2",
"Factors":{"Time point of 13C labeling (s)":"0","SWATH Program":"SWATH 1"},
"Additional sample data":{"Biological Replicate":"BR2","Technical Replicate":"TR1","RAW_FILE_NAME":"PCC 11801 0 SEC SWATH1-1 BR2.mzML"}
},
{
"Subject ID":"S. elongatus PCC 11801",
"Sample ID":"PCC 11801 0 SEC SWATH1-2 BR2",
"Factors":{"Time point of 13C labeling (s)":"0","SWATH Program":"SWATH 1"},
"Additional sample data":{"Biological Replicate":"BR2","Technical Replicate":"TR2","RAW_FILE_NAME":"PCC 11801 0 SEC SWATH1-2 BR2.mzML"}
},
{
"Subject ID":"S. elongatus PCC 11801",
"Sample ID":"PCC 11801 0 SEC SWATH2-1 BR2",
"Factors":{"Time point of 13C labeling (s)":"0","SWATH Program":"SWATH 2"},
"Additional sample data":{"Biological Replicate":"BR2","Technical Replicate":"TR1","RAW_FILE_NAME":"PCC 11801 0 SEC SWATH2-1 BR2.mzML"}
},
{
"Subject ID":"S. elongatus PCC 11801",
"Sample ID":"PCC 11801 0 SEC SWATH2-2 BR2",
"Factors":{"Time point of 13C labeling (s)":"0","SWATH Program":"SWATH 2"},
"Additional sample data":{"Biological Replicate":"BR2","Technical Replicate":"TR2","RAW_FILE_NAME":"PCC 11801 0 SEC SWATH2-2 BR2.mzML"}
},
{
"Subject ID":"S. elongatus PCC 11801",
"Sample ID":"PCC 11801 0 SEC SWATH4-1 BR2",
"Factors":{"Time point of 13C labeling (s)":"0","SWATH Program":"SWATH 4"},
"Additional sample data":{"Biological Replicate":"BR2","Technical Replicate":"TR1","RAW_FILE_NAME":"PCC 11801 0 SEC SWATH4-1 BR2.mzML"}
},
{
"Subject ID":"S. elongatus PCC 11801",
"Sample ID":"PCC 11801 0 SEC SWATH4-2 BR2",
"Factors":{"Time point of 13C labeling (s)":"0","SWATH Program":"SWATH 4"},
"Additional sample data":{"Biological Replicate":"BR2","Technical Replicate":"TR2","RAW_FILE_NAME":"PCC 11801 0 SEC SWATH4-2 BR2.mzML"}
},
{
"Subject ID":"S. elongatus PCC 11801",
"Sample ID":"PCC 11801 30 SEC SWATH1-1 BR2",
"Factors":{"Time point of 13C labeling (s)":"30","SWATH Program":"SWATH 1"},
"Additional sample data":{"Biological Replicate":"BR2","Technical Replicate":"TR1","RAW_FILE_NAME":"PCC 11801 30 SEC SWATH1-1 BR2.mzML"}
},
{
"Subject ID":"S. elongatus PCC 11801",
"Sample ID":"PCC 11801 30 SEC SWATH1-2 BR2",
"Factors":{"Time point of 13C labeling (s)":"30","SWATH Program":"SWATH 1"},
"Additional sample data":{"Biological Replicate":"BR2","Technical Replicate":"TR2","RAW_FILE_NAME":"PCC 11801 30 SEC SWATH1-2 BR2.mzML"}
},
{
"Subject ID":"S. elongatus PCC 11801",
"Sample ID":"PCC 11801 30 SEC SWATH2-1 BR2",
"Factors":{"Time point of 13C labeling (s)":"30","SWATH Program":"SWATH 2"},
"Additional sample data":{"Biological Replicate":"BR2","Technical Replicate":"TR1","RAW_FILE_NAME":"PCC 11801 30 SEC SWATH2-1 BR2.mzML"}
},
{
"Subject ID":"S. elongatus PCC 11801",
"Sample ID":"PCC 11801 30 SEC SWATH2-2 BR2",
"Factors":{"Time point of 13C labeling (s)":"30","SWATH Program":"SWATH 2"},
"Additional sample data":{"Biological Replicate":"BR2","Technical Replicate":"TR2","RAW_FILE_NAME":"PCC 11801 30 SEC SWATH2-2 BR2.mzML"}
},
{
"Subject ID":"S. elongatus PCC 11801",
"Sample ID":"PCC 11801 30 SEC SWATH4-1 BR2",
"Factors":{"Time point of 13C labeling (s)":"30","SWATH Program":"SWATH 4"},
"Additional sample data":{"Biological Replicate":"BR2","Technical Replicate":"TR1","RAW_FILE_NAME":"PCC 11801 30 SEC SWATH4-1 BR2.mzML"}
},
{
"Subject ID":"S. elongatus PCC 11801",
"Sample ID":"PCC 11801 30 SEC SWATH4-2 BR2",
"Factors":{"Time point of 13C labeling (s)":"30","SWATH Program":"SWATH 4"},
"Additional sample data":{"Biological Replicate":"BR2","Technical Replicate":"TR2","RAW_FILE_NAME":"PCC 11801 30 SEC SWATH4-2 BR2.mzML"}
},
{
"Subject ID":"S. elongatus PCC 11801",
"Sample ID":"PCC 11801 60 SEC SWATH1-1 BR2",
"Factors":{"Time point of 13C labeling (s)":"60","SWATH Program":"SWATH 1"},
"Additional sample data":{"Biological Replicate":"BR2","Technical Replicate":"TR1","RAW_FILE_NAME":"PCC 11801 60 SEC SWATH1-1 BR2.mzML"}
},
{
"Subject ID":"S. elongatus PCC 11801",
"Sample ID":"PCC 11801 60 SEC SWATH1-2 BR2",
"Factors":{"Time point of 13C labeling (s)":"60","SWATH Program":"SWATH 1"},
"Additional sample data":{"Biological Replicate":"BR2","Technical Replicate":"TR2","RAW_FILE_NAME":"PCC 11801 60 SEC SWATH1-2 BR2.mzML"}
},
{
"Subject ID":"S. elongatus PCC 11801",
"Sample ID":"PCC 11801 60 SEC SWATH2-1 BR2",
"Factors":{"Time point of 13C labeling (s)":"60","SWATH Program":"SWATH 2"},
"Additional sample data":{"Biological Replicate":"BR2","Technical Replicate":"TR1","RAW_FILE_NAME":"PCC 11801 60 SEC SWATH2-1 BR2.mzML"}
},
{
"Subject ID":"S. elongatus PCC 11801",
"Sample ID":"PCC 11801 60 SEC SWATH2-2 BR2",
"Factors":{"Time point of 13C labeling (s)":"60","SWATH Program":"SWATH 2"},
"Additional sample data":{"Biological Replicate":"BR2","Technical Replicate":"TR2","RAW_FILE_NAME":"PCC 11801 60 SEC SWATH2-2 BR2.mzML"}
},
{
"Subject ID":"S. elongatus PCC 11801",
"Sample ID":"PCC 11801 60 SEC SWATH4-1 BR2",
"Factors":{"Time point of 13C labeling (s)":"60","SWATH Program":"SWATH 4"},
"Additional sample data":{"Biological Replicate":"BR2","Technical Replicate":"TR1","RAW_FILE_NAME":"PCC 11801 60 SEC SWATH4-1 BR2.mzML"}
},
{
"Subject ID":"S. elongatus PCC 11801",
"Sample ID":"PCC 11801 60 SEC SWATH4-2 BR2",
"Factors":{"Time point of 13C labeling (s)":"60","SWATH Program":"SWATH 4"},
"Additional sample data":{"Biological Replicate":"BR2","Technical Replicate":"TR2","RAW_FILE_NAME":"PCC 11801 60 SEC SWATH4-2 BR2.mzML"}
},
{
"Subject ID":"S. elongatus PCC 11801",
"Sample ID":"PCC 11801 90 SEC SWATH1-1 BR2",
"Factors":{"Time point of 13C labeling (s)":"90","SWATH Program":"SWATH 1"},
"Additional sample data":{"Biological Replicate":"BR2","Technical Replicate":"TR1","RAW_FILE_NAME":"PCC 11801 90 SEC SWATH1-1 BR2.mzML"}
},
{
"Subject ID":"S. elongatus PCC 11801",
"Sample ID":"PCC 11801 90 SEC SWATH1-2 BR2",
"Factors":{"Time point of 13C labeling (s)":"90","SWATH Program":"SWATH 1"},
"Additional sample data":{"Biological Replicate":"BR2","Technical Replicate":"TR2","RAW_FILE_NAME":"PCC 11801 90 SEC SWATH1-2 BR2.mzML"}
},
{
"Subject ID":"S. elongatus PCC 11801",
"Sample ID":"PCC 11801 90 SEC SWATH2-1 BR2",
"Factors":{"Time point of 13C labeling (s)":"90","SWATH Program":"SWATH 2"},
"Additional sample data":{"Biological Replicate":"BR2","Technical Replicate":"TR1","RAW_FILE_NAME":"PCC 11801 90 SEC SWATH2-1 BR2.mzML"}
},
{
"Subject ID":"S. elongatus PCC 11801",
"Sample ID":"PCC 11801 90 SEC SWATH2-2 BR2",
"Factors":{"Time point of 13C labeling (s)":"90","SWATH Program":"SWATH 2"},
"Additional sample data":{"Biological Replicate":"BR2","Technical Replicate":"TR2","RAW_FILE_NAME":"PCC 11801 90 SEC SWATH2-2 BR2.mzML"}
},
{
"Subject ID":"S. elongatus PCC 11801",
"Sample ID":"PCC 11801 90 SEC SWATH4-1 BR2",
"Factors":{"Time point of 13C labeling (s)":"90","SWATH Program":"SWATH 4"},
"Additional sample data":{"Biological Replicate":"BR2","Technical Replicate":"TR1","RAW_FILE_NAME":"PCC 11801 90 SEC SWATH4-1 BR2.mzML"}
},
{
"Subject ID":"S. elongatus PCC 11801",
"Sample ID":"PCC 11801 90 SEC SWATH4-2 BR2",
"Factors":{"Time point of 13C labeling (s)":"90","SWATH Program":"SWATH 4"},
"Additional sample data":{"Biological Replicate":"BR2","Technical Replicate":"TR2","RAW_FILE_NAME":"PCC 11801 90 SEC SWATH4-2 BR2.mzML"}
},
{
"Subject ID":"S. elongatus PCC 11801",
"Sample ID":"PCC 11801 120 SEC SWATH1-1 BR2",
"Factors":{"Time point of 13C labeling (s)":"120","SWATH Program":"SWATH 1"},
"Additional sample data":{"Biological Replicate":"BR2","Technical Replicate":"TR1","RAW_FILE_NAME":"PCC 11801 120 SEC SWATH1-1 BR2.mzML"}
},
{
"Subject ID":"S. elongatus PCC 11801",
"Sample ID":"PCC 11801 120 SEC SWATH1-2 BR2",
"Factors":{"Time point of 13C labeling (s)":"120","SWATH Program":"SWATH 1"},
"Additional sample data":{"Biological Replicate":"BR2","Technical Replicate":"TR2","RAW_FILE_NAME":"PCC 11801 120 SEC SWATH1-2 BR2.mzML"}
},
{
"Subject ID":"S. elongatus PCC 11801",
"Sample ID":"PCC 11801 120 SEC SWATH2-1 BR2",
"Factors":{"Time point of 13C labeling (s)":"120","SWATH Program":"SWATH 2"},
"Additional sample data":{"Biological Replicate":"BR2","Technical Replicate":"TR1","RAW_FILE_NAME":"PCC 11801 120 SEC SWATH2-1 BR2.mzML"}
},
{
"Subject ID":"S. elongatus PCC 11801",
"Sample ID":"PCC 11801 120 SEC SWATH2-2 BR2",
"Factors":{"Time point of 13C labeling (s)":"120","SWATH Program":"SWATH 2"},
"Additional sample data":{"Biological Replicate":"BR2","Technical Replicate":"TR2","RAW_FILE_NAME":"PCC 11801 120 SEC SWATH2-2 BR2.mzML"}
},
{
"Subject ID":"S. elongatus PCC 11801",
"Sample ID":"PCC 11801 120 SEC SWATH4-1 BR2",
"Factors":{"Time point of 13C labeling (s)":"120","SWATH Program":"SWATH 4"},
"Additional sample data":{"Biological Replicate":"BR2","Technical Replicate":"TR1","RAW_FILE_NAME":"PCC 11801 120 SEC SWATH4-1 BR2.mzML"}
},
{
"Subject ID":"S. elongatus PCC 11801",
"Sample ID":"PCC 11801 120 SEC SWATH4-2 BR2",
"Factors":{"Time point of 13C labeling (s)":"120","SWATH Program":"SWATH 4"},
"Additional sample data":{"Biological Replicate":"BR2","Technical Replicate":"TR2","RAW_FILE_NAME":"PCC 11801 120 SEC SWATH4-2 BR2.mzML"}
},
{
"Subject ID":"S. elongatus PCC 11801",
"Sample ID":"PCC 11801 180 SEC SWATH1-1 BR2",
"Factors":{"Time point of 13C labeling (s)":"180","SWATH Program":"SWATH 1"},
"Additional sample data":{"Biological Replicate":"BR2","Technical Replicate":"TR1","RAW_FILE_NAME":"PCC 11801 180 SEC SWATH1-1 BR2.mzML"}
},
{
"Subject ID":"S. elongatus PCC 11801",
"Sample ID":"PCC 11801 180 SEC SWATH1-2 BR2",
"Factors":{"Time point of 13C labeling (s)":"180","SWATH Program":"SWATH 1"},
"Additional sample data":{"Biological Replicate":"BR2","Technical Replicate":"TR2","RAW_FILE_NAME":"PCC 11801 180 SEC SWATH1-2 BR2.mzML"}
},
{
"Subject ID":"S. elongatus PCC 11801",
"Sample ID":"PCC 11801 180 SEC SWATH2-1 BR2",
"Factors":{"Time point of 13C labeling (s)":"180","SWATH Program":"SWATH 2"},
"Additional sample data":{"Biological Replicate":"BR2","Technical Replicate":"TR1","RAW_FILE_NAME":"PCC 11801 180 SEC SWATH2-1 BR2.mzML"}
},
{
"Subject ID":"S. elongatus PCC 11801",
"Sample ID":"PCC 11801 180 SEC SWATH2-2 BR2",
"Factors":{"Time point of 13C labeling (s)":"180","SWATH Program":"SWATH 2"},
"Additional sample data":{"Biological Replicate":"BR2","Technical Replicate":"TR2","RAW_FILE_NAME":"PCC 11801 180 SEC SWATH2-2 BR2.mzML"}
},
{
"Subject ID":"S. elongatus PCC 11801",
"Sample ID":"PCC 11801 180 SEC SWATH4-1 BR2",
"Factors":{"Time point of 13C labeling (s)":"180","SWATH Program":"SWATH 4"},
"Additional sample data":{"Biological Replicate":"BR2","Technical Replicate":"TR1","RAW_FILE_NAME":"PCC 11801 180 SEC SWATH4-1 BR2.mzML"}
},
{
"Subject ID":"S. elongatus PCC 11801",
"Sample ID":"PCC 11801 180 SEC SWATH4-2 BR2",
"Factors":{"Time point of 13C labeling (s)":"180","SWATH Program":"SWATH 4"},
"Additional sample data":{"Biological Replicate":"BR2","Technical Replicate":"TR2","RAW_FILE_NAME":"PCC 11801 180 SEC SWATH4-2 BR2.mzML"}
},
{
"Subject ID":"S. elongatus PCC 11801",
"Sample ID":"PCC 11801 300 SEC SWATH1-1 BR2",
"Factors":{"Time point of 13C labeling (s)":"300","SWATH Program":"SWATH 1"},
"Additional sample data":{"Biological Replicate":"BR2","Technical Replicate":"TR1","RAW_FILE_NAME":"PCC 11801 300 SEC SWATH1-1 BR2.mzML"}
},
{
"Subject ID":"S. elongatus PCC 11801",
"Sample ID":"PCC 11801 300 SEC SWATH1-2 BR2",
"Factors":{"Time point of 13C labeling (s)":"300","SWATH Program":"SWATH 1"},
"Additional sample data":{"Biological Replicate":"BR2","Technical Replicate":"TR2","RAW_FILE_NAME":"PCC 11801 300 SEC SWATH1-2 BR2.mzML"}
},
{
"Subject ID":"S. elongatus PCC 11801",
"Sample ID":"PCC 11801 300 SEC SWATH2-1 BR2",
"Factors":{"Time point of 13C labeling (s)":"300","SWATH Program":"SWATH 2"},
"Additional sample data":{"Biological Replicate":"BR2","Technical Replicate":"TR1","RAW_FILE_NAME":"PCC 11801 300 SEC SWATH2-1 BR2.mzML"}
},
{
"Subject ID":"S. elongatus PCC 11801",
"Sample ID":"PCC 11801 300 SEC SWATH2-2 BR2",
"Factors":{"Time point of 13C labeling (s)":"300","SWATH Program":"SWATH 2"},
"Additional sample data":{"Biological Replicate":"BR2","Technical Replicate":"TR2","RAW_FILE_NAME":"PCC 11801 300 SEC SWATH2-2 BR2.mzML"}
},
{
"Subject ID":"S. elongatus PCC 11801",
"Sample ID":"PCC 11801 300 SEC SWATH4-1 BR2",
"Factors":{"Time point of 13C labeling (s)":"300","SWATH Program":"SWATH 4"},
"Additional sample data":{"Biological Replicate":"BR2","Technical Replicate":"TR1","RAW_FILE_NAME":"PCC 11801 300 SEC SWATH4-1 BR2.mzML"}
},
{
"Subject ID":"S. elongatus PCC 11801",
"Sample ID":"PCC 11801 300 SEC SWATH4-2 BR2",
"Factors":{"Time point of 13C labeling (s)":"300","SWATH Program":"SWATH 4"},
"Additional sample data":{"Biological Replicate":"BR2","Technical Replicate":"TR2","RAW_FILE_NAME":"PCC 11801 300 SEC SWATH4-2 BR2.mzML"}
},
{
"Subject ID":"S. elongatus PCC 11801",
"Sample ID":"PCC 11801 600 SEC SWATH1-1 BR2",
"Factors":{"Time point of 13C labeling (s)":"600","SWATH Program":"SWATH 1"},
"Additional sample data":{"Biological Replicate":"BR2","Technical Replicate":"TR1","RAW_FILE_NAME":"PCC 11801 600 SEC SWATH1-1 BR2.mzML"}
},
{
"Subject ID":"S. elongatus PCC 11801",
"Sample ID":"PCC 11801 600 SEC SWATH1-2 BR2",
"Factors":{"Time point of 13C labeling (s)":"600","SWATH Program":"SWATH 1"},
"Additional sample data":{"Biological Replicate":"BR2","Technical Replicate":"TR2","RAW_FILE_NAME":"PCC 11801 600 SEC SWATH1-2 BR2.mzML"}
},
{
"Subject ID":"S. elongatus PCC 11801",
"Sample ID":"PCC 11801 600 SEC SWATH2-1 BR2",
"Factors":{"Time point of 13C labeling (s)":"600","SWATH Program":"SWATH 2"},
"Additional sample data":{"Biological Replicate":"BR2","Technical Replicate":"TR1","RAW_FILE_NAME":"PCC 11801 600 SEC SWATH2-1 BR2.mzML"}
},
{
"Subject ID":"S. elongatus PCC 11801",
"Sample ID":"PCC 11801 600 SEC SWATH2-2 BR2",
"Factors":{"Time point of 13C labeling (s)":"600","SWATH Program":"SWATH 2"},
"Additional sample data":{"Biological Replicate":"BR2","Technical Replicate":"TR2","RAW_FILE_NAME":"PCC 11801 600 SEC SWATH2-2 BR2.mzML"}
},
{
"Subject ID":"S. elongatus PCC 11801",
"Sample ID":"PCC 11801 600 SEC SWATH4-1 BR2",
"Factors":{"Time point of 13C labeling (s)":"600","SWATH Program":"SWATH 4"},
"Additional sample data":{"Biological Replicate":"BR2","Technical Replicate":"TR1","RAW_FILE_NAME":"PCC 11801 600 SEC SWATH4-1 BR2.mzML"}
},
{
"Subject ID":"S. elongatus PCC 11801",
"Sample ID":"PCC 11801 600 SEC SWATH4-2 BR2",
"Factors":{"Time point of 13C labeling (s)":"600","SWATH Program":"SWATH 4"},
"Additional sample data":{"Biological Replicate":"BR2","Technical Replicate":"TR2","RAW_FILE_NAME":"PCC 11801 600 SEC SWATH4-2 BR2.mzML"}
},
{
"Subject ID":"S. elongatus PCC 11801",
"Sample ID":"PCC 11801 1800 SEC SWATH1-1 BR2",
"Factors":{"Time point of 13C labeling (s)":"1800","SWATH Program":"SWATH 1"},
"Additional sample data":{"Biological Replicate":"BR2","Technical Replicate":"TR1","RAW_FILE_NAME":"PCC 11801 1800 SEC SWATH1-1 BR2.mzML"}
},
{
"Subject ID":"S. elongatus PCC 11801",
"Sample ID":"PCC 11801 1800 SEC SWATH1-2 BR2",
"Factors":{"Time point of 13C labeling (s)":"1800","SWATH Program":"SWATH 1"},
"Additional sample data":{"Biological Replicate":"BR2","Technical Replicate":"TR2","RAW_FILE_NAME":"PCC 11801 1800 SEC SWATH1-2 BR2.mzML"}
},
{
"Subject ID":"S. elongatus PCC 11801",
"Sample ID":"PCC 11801 1800 SEC SWATH2-1 BR2",
"Factors":{"Time point of 13C labeling (s)":"1800","SWATH Program":"SWATH 2"},
"Additional sample data":{"Biological Replicate":"BR2","Technical Replicate":"TR1","RAW_FILE_NAME":"PCC 11801 1800 SEC SWATH2-1 BR2.mzML"}
},
{
"Subject ID":"S. elongatus PCC 11801",
"Sample ID":"PCC 11801 1800 SEC SWATH2-2 BR2",
"Factors":{"Time point of 13C labeling (s)":"1800","SWATH Program":"SWATH 2"},
"Additional sample data":{"Biological Replicate":"BR2","Technical Replicate":"TR2","RAW_FILE_NAME":"PCC 11801 1800 SEC SWATH2-2 BR2.mzML"}
},
{
"Subject ID":"S. elongatus PCC 11801",
"Sample ID":"PCC 11801 1800 SEC SWATH4-1 BR2",
"Factors":{"Time point of 13C labeling (s)":"1800","SWATH Program":"SWATH 4"},
"Additional sample data":{"Biological Replicate":"BR2","Technical Replicate":"TR1","RAW_FILE_NAME":"PCC 11801 1800 SEC SWATH4-1 BR2.mzML"}
},
{
"Subject ID":"S. elongatus PCC 11801",
"Sample ID":"PCC 11801 1800 SEC SWATH4-2 BR2",
"Factors":{"Time point of 13C labeling (s)":"1800","SWATH Program":"SWATH 4"},
"Additional sample data":{"Biological Replicate":"BR2","Technical Replicate":"TR2","RAW_FILE_NAME":"PCC 11801 1800 SEC SWATH4-2 BR2.mzML"}
},
{
"Subject ID":"S. elongatus PCC 11801",
"Sample ID":"PCC 11801 3600 SEC SWATH1-1 BR2",
"Factors":{"Time point of 13C labeling (s)":"3600","SWATH Program":"SWATH 1"},
"Additional sample data":{"Biological Replicate":"BR2","Technical Replicate":"TR1","RAW_FILE_NAME":"PCC 11801 3600 SEC SWATH1-1 BR2.mzML"}
},
{
"Subject ID":"S. elongatus PCC 11801",
"Sample ID":"PCC 11801 3600 SEC SWATH1-2 BR2",
"Factors":{"Time point of 13C labeling (s)":"3600","SWATH Program":"SWATH 1"},
"Additional sample data":{"Biological Replicate":"BR2","Technical Replicate":"TR2","RAW_FILE_NAME":"PCC 11801 3600 SEC SWATH1-2 BR2.mzML"}
},
{
"Subject ID":"S. elongatus PCC 11801",
"Sample ID":"PCC 11801 3600 SEC SWATH2-1 BR2",
"Factors":{"Time point of 13C labeling (s)":"3600","SWATH Program":"SWATH 2"},
"Additional sample data":{"Biological Replicate":"BR2","Technical Replicate":"TR1","RAW_FILE_NAME":"PCC 11801 3600 SEC SWATH2-1 BR2.mzML"}
},
{
"Subject ID":"S. elongatus PCC 11801",
"Sample ID":"PCC 11801 3600 SEC SWATH2-2 BR2",
"Factors":{"Time point of 13C labeling (s)":"3600","SWATH Program":"SWATH 2"},
"Additional sample data":{"Biological Replicate":"BR2","Technical Replicate":"TR2","RAW_FILE_NAME":"PCC 11801 3600 SEC SWATH2-2 BR2.mzML"}
},
{
"Subject ID":"S. elongatus PCC 11801",
"Sample ID":"PCC 11801 3600 SEC SWATH4-1 BR2",
"Factors":{"Time point of 13C labeling (s)":"3600","SWATH Program":"SWATH 4"},
"Additional sample data":{"Biological Replicate":"BR2","Technical Replicate":"TR1","RAW_FILE_NAME":"PCC 11801 3600 SEC SWATH4-1 BR2.mzML"}
},
{
"Subject ID":"S. elongatus PCC 11801",
"Sample ID":"PCC 11801 3600 SEC SWATH4-2 BR2",
"Factors":{"Time point of 13C labeling (s)":"3600","SWATH Program":"SWATH 4"},
"Additional sample data":{"Biological Replicate":"BR2","Technical Replicate":"TR2","RAW_FILE_NAME":"PCC 11801 3600 SEC SWATH4-2 BR2.mzML"}
},
{
"Subject ID":"S. elongatus PCC 11801",
"Sample ID":"PCC 11801 7200 SEC SWATH1-1 BR2",
"Factors":{"Time point of 13C labeling (s)":"7200","SWATH Program":"SWATH 1"},
"Additional sample data":{"Biological Replicate":"BR2","Technical Replicate":"TR1","RAW_FILE_NAME":"PCC 11801 7200 SEC SWATH1-1 BR2.mzML"}
},
{
"Subject ID":"S. elongatus PCC 11801",
"Sample ID":"PCC 11801 7200 SEC SWATH1-2 BR2",
"Factors":{"Time point of 13C labeling (s)":"7200","SWATH Program":"SWATH 1"},
"Additional sample data":{"Biological Replicate":"BR2","Technical Replicate":"TR2","RAW_FILE_NAME":"PCC 11801 7200 SEC SWATH1-2 BR2.mzML"}
},
{
"Subject ID":"S. elongatus PCC 11801",
"Sample ID":"PCC 11801 7200 SEC SWATH2-1 BR2",
"Factors":{"Time point of 13C labeling (s)":"7200","SWATH Program":"SWATH 2"},
"Additional sample data":{"Biological Replicate":"BR2","Technical Replicate":"TR1","RAW_FILE_NAME":"PCC 11801 7200 SEC SWATH2-1 BR2.mzML"}
},
{
"Subject ID":"S. elongatus PCC 11801",
"Sample ID":"PCC 11801 7200 SEC SWATH2-2 BR2",
"Factors":{"Time point of 13C labeling (s)":"7200","SWATH Program":"SWATH 2"},
"Additional sample data":{"Biological Replicate":"BR2","Technical Replicate":"TR2","RAW_FILE_NAME":"PCC 11801 7200 SEC SWATH2-2 BR2.mzML"}
},
{
"Subject ID":"S. elongatus PCC 11801",
"Sample ID":"PCC 11801 7200 SEC SWATH4-1 BR2",
"Factors":{"Time point of 13C labeling (s)":"7200","SWATH Program":"SWATH 4"},
"Additional sample data":{"Biological Replicate":"BR2","Technical Replicate":"TR1","RAW_FILE_NAME":"PCC 11801 7200 SEC SWATH4-1 BR2.mzML"}
},
{
"Subject ID":"S. elongatus PCC 11801",
"Sample ID":"PCC 11801 7200 SEC SWATH4-2 BR2",
"Factors":{"Time point of 13C labeling (s)":"7200","SWATH Program":"SWATH 4"},
"Additional sample data":{"Biological Replicate":"BR2","Technical Replicate":"TR2","RAW_FILE_NAME":"PCC 11801 7200 SEC SWATH4-2 BR2.mzML"}
},
{
"Subject ID":"S.elongatus PCC 11802",
"Sample ID":"PCC 11802 0 SEC SWATH-1 BR1",
"Factors":{"Time point of 13C labeling (s)":"0","SWATH Program":"SWATH 1"},
"Additional sample data":{"Biological Replicate":"BR1","Technical Replicate":"TR1","RAW_FILE_NAME":"PCC 11802 0 SEC SWATH-1 BR1.mzML"}
},
{
"Subject ID":"S.elongatus PCC 11802",
"Sample ID":"PCC 11802 0 SEC SWATH-2 BR1",
"Factors":{"Time point of 13C labeling (s)":"0","SWATH Program":"SWATH 2"},
"Additional sample data":{"Biological Replicate":"BR1","Technical Replicate":"TR1","RAW_FILE_NAME":"PCC 11802 0 SEC SWATH-2 BR1.mzML"}
},
{
"Subject ID":"S.elongatus PCC 11802",
"Sample ID":"PCC 11802 30 SEC SWATH-1 BR1",
"Factors":{"Time point of 13C labeling (s)":"30","SWATH Program":"SWATH 1"},
"Additional sample data":{"Biological Replicate":"BR1","Technical Replicate":"TR1","RAW_FILE_NAME":"PCC 11802 30 SEC SWATH-1 BR1.mzML"}
},
{
"Subject ID":"S.elongatus PCC 11802",
"Sample ID":"PCC 11802 30 SEC SWATH-2 BR1",
"Factors":{"Time point of 13C labeling (s)":"30","SWATH Program":"SWATH 2"},
"Additional sample data":{"Biological Replicate":"BR1","Technical Replicate":"TR1","RAW_FILE_NAME":"PCC 11802 30 SEC SWATH-2 BR1.mzML"}
},
{
"Subject ID":"S.elongatus PCC 11802",
"Sample ID":"PCC 11802 60 SEC SWATH-1 BR1",
"Factors":{"Time point of 13C labeling (s)":"60","SWATH Program":"SWATH 1"},
"Additional sample data":{"Biological Replicate":"BR1","Technical Replicate":"TR1","RAW_FILE_NAME":"PCC 11802 60 SEC SWATH-1 BR1.mzML"}
},
{
"Subject ID":"S.elongatus PCC 11802",
"Sample ID":"PCC 11802 60 SEC SWATH-2 BR1",
"Factors":{"Time point of 13C labeling (s)":"60","SWATH Program":"SWATH 2"},
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},
{
"Subject ID":"S.elongatus PCC 11802",
"Sample ID":"PCC11802 900 SEC SWATH2-1 BR2",
"Factors":{"Time point of 13C labeling (s)":"900","SWATH Program":"SWATH 2"},
"Additional sample data":{"Biological Replicate":"BR2","Technical Replicate":"TR1","RAW_FILE_NAME":"PCC11802 900 SEC SWATH2-1 BR2.mzML"}
},
{
"Subject ID":"S.elongatus PCC 11802",
"Sample ID":"PCC11802 900 SEC SWATH2-2 BR2",
"Factors":{"Time point of 13C labeling (s)":"900","SWATH Program":"SWATH 2"},
"Additional sample data":{"Biological Replicate":"BR2","Technical Replicate":"TR2","RAW_FILE_NAME":"PCC11802 900 SEC SWATH2-2 BR2.mzML"}
},
{
"Subject ID":"S.elongatus PCC 11802",
"Sample ID":"PCC11802 900 SEC SWATH4-1 BR2",
"Factors":{"Time point of 13C labeling (s)":"900","SWATH Program":"SWATH 4"},
"Additional sample data":{"Biological Replicate":"BR2","Technical Replicate":"TR1","RAW_FILE_NAME":"PCC11802 900 SEC SWATH4-1 BR2.mzML"}
},
{
"Subject ID":"S.elongatus PCC 11802",
"Sample ID":"PCC11802 900 SEC SWATH4-2 BR2",
"Factors":{"Time point of 13C labeling (s)":"900","SWATH Program":"SWATH 4"},
"Additional sample data":{"Biological Replicate":"BR2","Technical Replicate":"TR2","RAW_FILE_NAME":"PCC11802 900 SEC SWATH4-2 BR2.mzML"}
},
{
"Subject ID":"S.elongatus PCC 11802",
"Sample ID":"PCC11802 1800 SEC SWATH1-1 BR2",
"Factors":{"Time point of 13C labeling (s)":"1800","SWATH Program":"SWATH 1"},
"Additional sample data":{"Biological Replicate":"BR2","Technical Replicate":"TR1","RAW_FILE_NAME":"PCC11802 1800  SEC SWATH1-1 BR2.mzML"}
},
{
"Subject ID":"S.elongatus PCC 11802",
"Sample ID":"PCC11802 1800 SEC SWATH1-2 BR2",
"Factors":{"Time point of 13C labeling (s)":"1800","SWATH Program":"SWATH 1"},
"Additional sample data":{"Biological Replicate":"BR2","Technical Replicate":"TR2","RAW_FILE_NAME":"PCC11802 1800  SEC SWATH1-2 BR2.mzML"}
},
{
"Subject ID":"S.elongatus PCC 11802",
"Sample ID":"PCC11802 1800 SEC SWATH2-1 BR2",
"Factors":{"Time point of 13C labeling (s)":"1800","SWATH Program":"SWATH 2"},
"Additional sample data":{"Biological Replicate":"BR2","Technical Replicate":"TR1","RAW_FILE_NAME":"PCC11802 1800  SEC SWATH2-1 BR2.mzML"}
},
{
"Subject ID":"S.elongatus PCC 11802",
"Sample ID":"PCC11802 1800 SEC SWATH2-2 BR2",
"Factors":{"Time point of 13C labeling (s)":"1800","SWATH Program":"SWATH 2"},
"Additional sample data":{"Biological Replicate":"BR2","Technical Replicate":"TR2","RAW_FILE_NAME":"PCC11802 1800  SEC SWATH2-2 BR2.mzML"}
},
{
"Subject ID":"S.elongatus PCC 11802",
"Sample ID":"PCC11802 1800 SEC SWATH4-1 BR2",
"Factors":{"Time point of 13C labeling (s)":"1800","SWATH Program":"SWATH 4"},
"Additional sample data":{"Biological Replicate":"BR2","Technical Replicate":"TR1","RAW_FILE_NAME":"PCC11802 1800  SEC SWATH4-1 BR2.mzML"}
},
{
"Subject ID":"S.elongatus PCC 11802",
"Sample ID":"PCC11802 1800 SEC SWATH4-2 BR2",
"Factors":{"Time point of 13C labeling (s)":"1800","SWATH Program":"SWATH 4"},
"Additional sample data":{"Biological Replicate":"BR2","Technical Replicate":"TR2","RAW_FILE_NAME":"PCC11802 1800  SEC SWATH4-2 BR2.mzML"}
},
{
"Subject ID":"S.elongatus PCC 11802",
"Sample ID":"PCC11802 3600 SEC SWATH2-2 BR2",
"Factors":{"Time point of 13C labeling (s)":"3600","SWATH Program":"SWATH 1"},
"Additional sample data":{"Biological Replicate":"BR2","Technical Replicate":"TR1","RAW_FILE_NAME":"PCC11802 3600 SEC  SWATH2-2 BR2.mzML"}
},
{
"Subject ID":"S.elongatus PCC 11802",
"Sample ID":"PCC11802 3600 SEC SWATH1-1 BR2",
"Factors":{"Time point of 13C labeling (s)":"3600","SWATH Program":"SWATH 1"},
"Additional sample data":{"Biological Replicate":"BR2","Technical Replicate":"TR2","RAW_FILE_NAME":"PCC11802 3600 SEC SWATH1-1 BR2.mzML"}
},
{
"Subject ID":"S.elongatus PCC 11802",
"Sample ID":"PCC11802 3600 SEC SWATH1-2 BR2",
"Factors":{"Time point of 13C labeling (s)":"3600","SWATH Program":"SWATH 2"},
"Additional sample data":{"Biological Replicate":"BR2","Technical Replicate":"TR1","RAW_FILE_NAME":"PCC11802 3600 SEC SWATH1-2 BR2.mzML"}
},
{
"Subject ID":"S.elongatus PCC 11802",
"Sample ID":"PCC11802 3600 SEC SWATH2-1 BR2",
"Factors":{"Time point of 13C labeling (s)":"3600","SWATH Program":"SWATH 2"},
"Additional sample data":{"Biological Replicate":"BR2","Technical Replicate":"TR2","RAW_FILE_NAME":"PCC11802 3600 SEC SWATH2-1 BR2.mzML"}
},
{
"Subject ID":"S.elongatus PCC 11802",
"Sample ID":"PCC11802 3600 SEC SWATH4-1 BR2",
"Factors":{"Time point of 13C labeling (s)":"3600","SWATH Program":"SWATH 4"},
"Additional sample data":{"Biological Replicate":"BR2","Technical Replicate":"TR1","RAW_FILE_NAME":"PCC11802 3600 SEC SWATH4-1 BR2.mzML"}
},
{
"Subject ID":"S.elongatus PCC 11802",
"Sample ID":"PCC11802 3600 SEC SWATH4-2 BR2",
"Factors":{"Time point of 13C labeling (s)":"3600","SWATH Program":"SWATH 4"},
"Additional sample data":{"Biological Replicate":"BR2","Technical Replicate":"TR2","RAW_FILE_NAME":"PCC11802 3600 SEC SWATH4-2 BR2.mzML"}
},
{
"Subject ID":"S.elongatus PCC 11802",
"Sample ID":"PCC 11802 7200 SEC SWATH1-1 BR2",
"Factors":{"Time point of 13C labeling (s)":"7200","SWATH Program":"SWATH 1"},
"Additional sample data":{"Biological Replicate":"BR2","Technical Replicate":"TR1","RAW_FILE_NAME":"PCC 11802 7200 SEC SWATH1-1 BR2.mzML"}
},
{
"Subject ID":"S.elongatus PCC 11802",
"Sample ID":"PCC 11802 7200 SEC SWATH1-2 BR2",
"Factors":{"Time point of 13C labeling (s)":"7200","SWATH Program":"SWATH 1"},
"Additional sample data":{"Biological Replicate":"BR2","Technical Replicate":"TR2","RAW_FILE_NAME":"PCC 11802 7200 SEC SWATH1-2 BR2.mzML"}
},
{
"Subject ID":"S.elongatus PCC 11802",
"Sample ID":"PCC 11802 7200 SEC SWATH2-1 BR2",
"Factors":{"Time point of 13C labeling (s)":"7200","SWATH Program":"SWATH 2"},
"Additional sample data":{"Biological Replicate":"BR2","Technical Replicate":"TR1","RAW_FILE_NAME":"PCC 11802 7200 SEC SWATH2-1 BR2.mzML"}
},
{
"Subject ID":"S.elongatus PCC 11802",
"Sample ID":"PCC 11802 7200 SEC SWATH2-2 BR2",
"Factors":{"Time point of 13C labeling (s)":"7200","SWATH Program":"SWATH 2"},
"Additional sample data":{"Biological Replicate":"BR2","Technical Replicate":"TR2","RAW_FILE_NAME":"PCC 11802 7200 SEC SWATH2-2 BR2.mzML"}
},
{
"Subject ID":"S.elongatus PCC 11802",
"Sample ID":"PCC 11802 7200 SEC SWATH4-1 BR2",
"Factors":{"Time point of 13C labeling (s)":"7200","SWATH Program":"SWATH 4"},
"Additional sample data":{"Biological Replicate":"BR2","Technical Replicate":"TR1","RAW_FILE_NAME":"PCC 11802 7200 SEC SWATH4-1 BR2.mzML"}
},
{
"Subject ID":"S.elongatus PCC 11802",
"Sample ID":"PCC 11802 7200 SEC SWATH4-2 BR2",
"Factors":{"Time point of 13C labeling (s)":"7200","SWATH Program":"SWATH 4"},
"Additional sample data":{"Biological Replicate":"BR2","Technical Replicate":"TR2","RAW_FILE_NAME":"PCC 11802 7200 SEC SWATH4-2 BR2.mzML"}
}
],
"COLLECTION":{"COLLECTION_SUMMARY":"Experiments were carried out by growing Synechococcus elongatus PCC 11801 and PCC 11802 cells in shake flask under continuous light conditions. The light intensity was ~300-350 µmole photons m-2 s-1. Twenty mL of culture was collected at OD730 of ~0.5-0.6. Samples were quenched with methanol and extracted using the methanol-chloroform-water method. Extracts were stored at -80°C till LCMS analysis. LCMS analysis was done in the negative ion mode using the SWATH methods.","SAMPLE_TYPE":"Bacterial cells"},

"TREATMENT":{"TREATMENT_SUMMARY":"The metabolites were extracted using a methanol-chloroform-water method described in the Dynamic 13C-labeling of S.elongatus PCC 11801 and 11802 file of the collection data."},

"SAMPLEPREP":{"SAMPLEPREP_SUMMARY":"One aliquot of the metabolite extract of each sample were reconstituted in 100µL 50:50 methanol-water and filtered using nylon syringe filters to remove any particulate matter.The injection volume was 4µL.","PROCESSING_STORAGE_CONDITIONS":"On ice","EXTRACT_STORAGE":"-80℃"},

"CHROMATOGRAPHY":{"CHROMATOGRAPHY_TYPE":"Reversed phase","INSTRUMENT_NAME":"Shimadzu 20AD","COLUMN_NAME":"Phenomenex Synergi Hydro RP 100 A (100 x 2mm, 2.5um)","SOLVENT_A":"100% water; 10 mM tributylamine; 15mM acetic acid","SOLVENT_B":"100% methanol","FLOW_GRADIENT":"The gradient method used is as follows: 0% B (0.01 min), 0% B (2 min), 35% B (8 min), 35% B (10.5 min), 90% B (15.50 min), 90% B (20.5 min), 0% B (22 min), and 0% B (30 min)","FLOW_RATE":"0.3 mL/minute","COLUMN_TEMPERATURE":"25"},

"ANALYSIS":{"ANALYSIS_TYPE":"MS","LABORATORY_NAME":"Biosystems Engineering Lab","OPERATOR_NAME":"Damini Jaiswal"},

"MS":{"INSTRUMENT_NAME":"ABI Sciex 5600+ TripleTOF","INSTRUMENT_TYPE":"QTOF","MS_TYPE":"ESI","ION_MODE":"NEGATIVE","MS_COMMENTS":"The data was acquired with SWATH methods. The details of SWATH methods can be found in the article https://doi.org/10.1016/j.isci.2020.101704. The quantification of MID of metabolites and fragment ions was performed by integrating the area under the curve of precursor and fragment isotopologues using MultiQuant 3.0.1 (Sciex, Framingham, MA) from the Q1 isolation window of the SWATH program, where all the precursor isotopologues of the respective metabolite were present. The peak areas were used to estimate precursor and product MID: mi=Mi/(∑(j=0)^n Mj ) where mi and Mi represent the normalized relative and unnormalized isotopologue abundance for each precursor/fragment ion in which i 13C atoms are incorporated, and n represents the number of carbon."},

"MS_METABOLITE_DATA":{
"Units":"Relative Abundance of Isotopologues",

"Data":[{"Metabolite":"3-phosphoglycerate (M+0)","PCC11801 0 SEC SWATH1-1 BR1":"0.92928","PCC11801 0 SEC SWATH1-2 BR1":"0.93002","PCC11801 0 SEC SWATH2-1 BR1":"NA","PCC11801 0 SEC SWATH2-2 BR1":"NA","PCC11801 0 SEC SWATH4-1 BR1":"NA","PCC11801 0 SEC SWATH4-2 BR1":"NA","PCC11801 30 SEC SWATH1-1 BR1":"0.4592","PCC11801 30 SEC SWATH1-2 BR1":"0.43916","PCC11801 30 SEC SWATH2-1 BR1":"NA","PCC11801 30 SEC SWATH2-2 BR1":"NA","PCC11801 30 SEC SWATH4-1 BR1":"NA","PCC11801 30 SEC SWATH4-2 BR1":"NA","PCC11801 60 SEC SWATH1-1 BR1":"0.36247","PCC11801 60 SEC SWATH1-2 BR1":"0.36185","PCC11801 60 SEC SWATH2-1 BR1":"NA","PCC11801 60 SEC SWATH2-2 BR1":"NA","PCC11801 60 SEC SWATH4-1 BR1":"NA","PCC11801 60 SEC SWATH4-2 BR1":"NA","PCC11801 90 SEC SWATH1-1 BR1":"0.28893","PCC11801 90 SEC SWATH1-2 BR1":"0.29011","PCC11801 90 SEC SWATH2-1 BR1":"NA","PCC11801 90 SEC SWATH2-2 BR1":"NA","PCC11801 90 SEC SWATH4-1 BR1":"NA","PCC11801 90 SEC SWATH4-2 BR1":"NA","PCC11801 120 SEC SWATH1-1 BR1":"0.27604","PCC11801 120 SEC SWATH1-2 BR1":"0.28063","PCC11801 120 SEC SWATH2-1 BR1":"NA","PCC11801 120 SEC SWATH2-2 BR1":"NA","PCC11801 120 SEC SWATH4-1 BR1":"NA","PCC11801 120 SEC SWATH4-2 BR1":"NA","PCC11801 180 SEC SWATH1-1 BR1":"0.29393","PCC11801 180 SEC SWATH1-2 BR1":"0.29933","PCC11801 180 SEC SWATH2-1 BR1":"NA","PCC11801 180 SEC SWATH2-2 BR1":"NA","PCC11801 180 SEC SWATH4-1 BR1":"NA","PCC11801 180 SEC SWATH4-2 BR1":"NA","PCC11801 300 SEC SWATH1-1 BR1":"0.29127","PCC11801 300 SEC SWATH1-2 BR1":"0.27532","PCC11801 300 SEC SWATH2-1 BR1":"NA","PCC11801 300 SEC SWATH2-2 BR1":"NA","PCC11801 300 SEC SWATH4-1 BR1":"NA","PCC11801 300 SEC SWATH4-2 BR1":"NA","PCC11801 600 SEC SWATH1-1 BR1":"0.29794","PCC11801 600 SEC SWATH1-2 BR1":"0.30169","PCC11801 600 SEC SWATH2-1 BR1":"NA","PCC11801 600 SEC SWATH2-2 BR1":"NA","PCC11801 600 SEC SWATH4-1 BR1":"NA","PCC11801 600 SEC SWATH4-2 BR1":"NA","PCC 11801 1800 SEC SWATH1-1 BR1":"0.3024","PCC 11801 1800 SEC SWATH1-2 BR1":"0.30494","PCC 11801 1800 SEC SWATH2-1 BR1":"NA","PCC 11801 1800 SEC SWATH2-2 BR1":"NA","PCC 11801 1800 SEC SWATH4-1 BR1":"NA","PCC 11801 1800 SEC SWATH4-2 BR1":"NA","PCC 11801 3600 SEC SWATH1-1 BR1":"0.33842","PCC 11801 3600 SEC SWATH1-2 BR1":"0.33112","PCC 11801 3600 SEC SWATH2-1 BR1":"NA","PCC 11801 3600 SEC SWATH2-2 BR1":"NA","PCC 11801 3600 SEC SWATH4-1 BR1":"NA","PCC 11801 3600 SEC SWATH4-2 BR1":"NA","PCC 11801 7200 SEC SWATH1-1 BR1":"0.27316","PCC 11801 7200 SEC SWATH1-2 BR1":"0.27876","PCC 11801 7200 SEC SWATH2-1 BR1":"NA","PCC 11801 7200 SEC SWATH2-2 BR1":"NA","PCC 11801 7200 SEC SWATH4-1 BR1":"NA","PCC 11801 7200 SEC SWATH4-2 BR1":"NA","PCC 11801 0 SEC SWATH1-1 BR2":"0.93361","PCC 11801 0 SEC SWATH1-2 BR2":"0.91573","PCC 11801 0 SEC SWATH2-1 BR2":"NA","PCC 11801 0 SEC SWATH2-2 BR2":"NA","PCC 11801 0 SEC SWATH4-1 BR2":"NA","PCC 11801 0 SEC SWATH4-2 BR2":"NA","PCC 11801 30 SEC SWATH1-1 BR2":"0.41431","PCC 11801 30 SEC SWATH1-2 BR2":"0.41869","PCC 11801 30 SEC SWATH2-1 BR2":"NA","PCC 11801 30 SEC SWATH2-2 BR2":"NA","PCC 11801 30 SEC SWATH4-1 BR2":"NA","PCC 11801 30 SEC SWATH4-2 BR2":"NA","PCC 11801 60 SEC SWATH1-1 BR2":"0.29625","PCC 11801 60 SEC SWATH1-2 BR2":"0.27864","PCC 11801 60 SEC SWATH2-1 BR2":"NA","PCC 11801 60 SEC SWATH2-2 BR2":"NA","PCC 11801 60 SEC SWATH4-1 BR2":"NA","PCC 11801 60 SEC SWATH4-2 BR2":"NA","PCC 11801 90 SEC SWATH1-1 BR2":"0.28074","PCC 11801 90 SEC SWATH1-2 BR2":"0.281","PCC 11801 90 SEC SWATH2-1 BR2":"NA","PCC 11801 90 SEC SWATH2-2 BR2":"NA","PCC 11801 90 SEC SWATH4-1 BR2":"NA","PCC 11801 90 SEC SWATH4-2 BR2":"NA","PCC 11801 120 SEC SWATH1-1 BR2":"0.26324","PCC 11801 120 SEC SWATH1-2 BR2":"0.26747","PCC 11801 120 SEC SWATH2-1 BR2":"NA","PCC 11801 120 SEC SWATH2-2 BR2":"NA","PCC 11801 120 SEC SWATH4-1 BR2":"NA","PCC 11801 120 SEC SWATH4-2 BR2":"NA","PCC 11801 180 SEC SWATH1-1 BR2":"0.28582","PCC 11801 180 SEC SWATH1-2 BR2":"0.2768","PCC 11801 180 SEC SWATH2-1 BR2":"NA","PCC 11801 180 SEC SWATH2-2 BR2":"NA","PCC 11801 180 SEC SWATH4-1 BR2":"NA","PCC 11801 180 SEC SWATH4-2 BR2":"NA","PCC 11801 300 SEC SWATH1-1 BR2":"0.28551","PCC 11801 300 SEC SWATH1-2 BR2":"0.27988","PCC 11801 300 SEC SWATH2-1 BR2":"NA","PCC 11801 300 SEC SWATH2-2 BR2":"NA","PCC 11801 300 SEC SWATH4-1 BR2":"NA","PCC 11801 300 SEC SWATH4-2 BR2":"NA","PCC 11801 600 SEC SWATH1-1 BR2":"0.29126","PCC 11801 600 SEC SWATH1-2 BR2":"0.29376","PCC 11801 600 SEC SWATH2-1 BR2":"NA","PCC 11801 600 SEC SWATH2-2 BR2":"NA","PCC 11801 600 SEC SWATH4-1 BR2":"NA","PCC 11801 600 SEC SWATH4-2 BR2":"NA","PCC 11801 1800 SEC SWATH1-1 BR2":"0.26272","PCC 11801 1800 SEC SWATH1-2 BR2":"0.25624","PCC 11801 1800 SEC SWATH2-1 BR2":"NA","PCC 11801 1800 SEC SWATH2-2 BR2":"NA","PCC 11801 1800 SEC SWATH4-1 BR2":"NA","PCC 11801 1800 SEC SWATH4-2 BR2":"NA","PCC 11801 3600 SEC SWATH1-1 BR2":"0.23373","PCC 11801 3600 SEC SWATH1-2 BR2":"0.24694","PCC 11801 3600 SEC SWATH2-1 BR2":"NA","PCC 11801 3600 SEC SWATH2-2 BR2":"NA","PCC 11801 3600 SEC SWATH4-1 BR2":"NA","PCC 11801 3600 SEC SWATH4-2 BR2":"NA","PCC 11801 7200 SEC SWATH1-1 BR2":"0.09268","PCC 11801 7200 SEC SWATH1-2 BR2":"0.09347","PCC 11801 7200 SEC SWATH2-1 BR2":"NA","PCC 11801 7200 SEC SWATH2-2 BR2":"NA","PCC 11801 7200 SEC SWATH4-1 BR2":"NA","PCC 11801 7200 SEC SWATH4-2 BR2":"NA","PCC 11802 0 SEC SWATH-1 BR1":"0.99","PCC 11802 0 SEC SWATH-2 BR1":"NA","PCC 11802 30 SEC SWATH-1 BR1":"0.369","PCC 11802 30 SEC SWATH-2 BR1":"NA","PCC 11802 60 SEC SWATH-1 BR1":"0.328","PCC 11802 60 SEC SWATH-2 BR1":"NA","PCC 11802 90 SEC SWATH-1 BR1":"0.155","PCC 11802 90 SEC SWATH-2 BR1":"NA","PCC 11802 120 SEC SWATH-1 BR1":"0.17","PCC 11802 120 SEC SWATH-2 BR1":"NA","PCC 11802 180 SEC SWATH-1 BR1":"0.152","PCC 11802 180 SEC SWATH-2 BR1":"NA","PCC 11802 300 SEC SWATH-1 BR1":"0.144","PCC 11802 300 SEC SWATH-2 BR1":"NA","PCC 11802 600 SEC SWATH-1 BR1":"0.162","PCC 11802 600 SEC SWATH-2 BR1":"NA","PCC 11802 900 SEC SWATH-1 BR1":"0.155","PCC 11802 900 SEC SWATH-2 BR1":"NA","PCC11802 1800 SEC SWATH1-1 BR1":"0.20824","PCC11802 1800 SEC SWATH2-1 BR1":"NA","PCC11802 1800 SEC SWATH4-1 BR1":"NA","PCC11802 3600 SEC SWATH1-1 BR1":"0.15442","PCC11802 3600 SEC SWATH2-1 BR1":"NA","PCC11802 3600 SEC SWATH4-1 BR1":"NA","PCC 11802 7200 SEC SWATH1-1 BR1":"0.12394","PCC 11802 7200 SEC SWATH2-1 BR1":"NA","PCC 11802 7200 SEC SWATH4-1 BR1":"NA","PCC11802 0 SEC SWATH1-1 BR2":"0.92845","PCC11802 0 SEC SWATH1-2 BR2":"0.8917","PCC11802 0 SEC SWATH2-1 BR2":"NA","PCC11802 0 SEC SWATH2-2 BR2":"NA","PCC11802 0 SEC SWATH4-1 BR2":"NA","PCC11802 0 SEC SWATH4-2 BR2":"NA","PCC11802 30 SEC SWATH1-1 BR2":"0.34744","PCC11802 30 SEC SWATH1-2 BR2":"0.34578","PCC11802 30 SEC SWATH2-1 BR2":"NA","PCC11802 30 SEC SWATH2-2 BR2":"NA","PCC11802 30 SEC SWATH4-1 BR2":"NA","PCC11802 30 SEC SWATH4-2 BR2":"NA","PCC11802 60 SEC SWATH1-1 BR2":"0.20726","PCC11802 60 SEC SWATH1-2 BR2":"0.20481","PCC11802 60 SEC SWATH2-1 BR2":"NA","PCC11802 60 SEC SWATH2-2 BR2":"NA","PCC11802 60 SEC SWATH4-1 BR2":"NA","PCC11802 60 SEC SWATH4-2 BR2":"NA","PCC11802 90 SEC SWATH1-1 BR2":"0.15295","PCC11802 90 SEC SWATH1-2 BR2":"0.15326","PCC11802 90 SEC SWATH2-1 BR2":"NA","PCC11802 90 SEC SWATH2-2 BR2":"NA","PCC11802 90 SEC SWATH4-1 BR2":"NA","PCC11802 90 SEC SWATH4-2 BR2":"NA","PCC11802 120 SEC SWATH1-1 BR2":"0.1477","PCC11802 120 SEC SWATH1-2 BR2":"0.16259","PCC11802 120 SEC SWATH2-1 BR2":"NA","PCC11802 120 SEC SWATH2-2 BR2":"NA","PCC11802 120 SEC SWATH4-1 BR2":"NA","PCC11802 120 SEC SWATH4-2 BR2":"NA","PCC11802 180 SEC SWATH1-1 BR2":"0.18205","PCC11802 180 SEC SWATH1-2 BR2":"0.18506","PCC11802 180 SEC SWATH2-1 BR2":"NA","PCC11802 180 SEC SWATH2-2 BR2":"NA","PCC11802 180 SEC SWATH4-1 BR2":"NA","PCC11802 180 SEC SWATH4-2 BR2":"NA","PCC11802 300 SEC SWATH1-1 BR2":"0.15931","PCC11802 300 SEC SWATH1-2 BR2":"0.17988","PCC11802 300 SEC SWATH2-1 BR2":"NA","PCC11802 300 SEC SWATH2-2 BR2":"NA","PCC11802 300 SEC SWATH4-1 BR2":"NA","PCC11802 300 SEC SWATH4-2 BR2":"NA","PCC11802 600 SEC SWATH1-1 BR2":"0.18729","PCC11802 600 SEC SWATH1-2 BR2":"0.18349","PCC11802 600 SEC SWATH2-1 BR2":"NA","PCC11802 600 SEC SWATH2-2 BR2":"NA","PCC11802 600 SEC SWATH4-1 BR2":"NA","PCC11802 600 SEC SWATH4-2 BR2":"NA","PCC11802 900 SEC SWATH1-1 BR2":"0.17777","PCC11802 900 SEC SWATH1-2 BR2":"0.18771","PCC11802 900 SEC SWATH2-1 BR2":"NA","PCC11802 900 SEC SWATH2-2 BR2":"NA","PCC11802 900 SEC SWATH4-1 BR2":"NA","PCC11802 900 SEC SWATH4-2 BR2":"NA","PCC11802 1800 SEC SWATH1-1 BR2":"0.1953","PCC11802 1800 SEC SWATH1-2 BR2":"0.19649","PCC11802 1800 SEC SWATH2-1 BR2":"NA","PCC11802 1800 SEC SWATH2-2 BR2":"NA","PCC11802 1800 SEC SWATH4-1 BR2":"NA","PCC11802 1800 SEC SWATH4-2 BR2":"NA","PCC11802 3600 SEC SWATH2-2 BR2":"NA","PCC11802 3600 SEC SWATH1-1 BR2":"0.16037","PCC11802 3600 SEC SWATH1-2 BR2":"0.13498","PCC11802 3600 SEC SWATH2-1 BR2":"NA","PCC11802 3600 SEC SWATH4-1 BR2":"NA","PCC11802 3600 SEC SWATH4-2 BR2":"NA","PCC 11802 7200 SEC SWATH1-1 BR2":"0.12245","PCC 11802 7200 SEC SWATH1-2 BR2":"0.10756","PCC 11802 7200 SEC SWATH2-1 BR2":"NA","PCC 11802 7200 SEC SWATH2-2 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}

}