{
"METABOLOMICS WORKBENCH":{"STUDY_ID":"ST001302","ANALYSIS_ID":"AN002168","VERSION":"1","CREATED_ON":"January 9, 2020, 12:42 pm"},

"PROJECT":{"PROJECT_TITLE":"Metabolome Profiling of a Fast-growing Cyanobacterium Synechococcus elongatus PCC 11801 under Diurnal Cycle","PROJECT_TYPE":"Measurement of relative metabolite pools under sinusoidal diurnal cycle","PROJECT_SUMMARY":"The project aims to identify the metabolic changes that occur during diurnal cycle in a fast growing cyanobacterium Synechococcus elongatus PCC 11801. It is a promising host for biofuel production and therefore its studying its metabolism under diurnal condition might provide ideas to engineer it better for growth in outdoor conditions.","INSTITUTE":"Indian Institute of Technology Bombay","DEPARTMENT":"Department of Chemical Engineering","LABORATORY":"Biosystems Engineering Lab","LAST_NAME":"Wangikar","FIRST_NAME":"Pramod P","ADDRESS":"Department of Chemical Engineering, Indian Institute of Technology Bombay, Powai, Mumbai, Maharashtra, India - 400076","EMAIL":"wangikar@iitb.ac.in","PHONE":"+91 (22) 2576 7232 (o)","FUNDING_SOURCE":"DBT-PAN IIT Centre for Bioenergy (Grant No: BT/EB/PAN IIT/2012)","CONTRIBUTORS":"Damini Jaiswal and Pramod P. Wangikar"},

"STUDY":{"STUDY_TITLE":"Metabolome Profiling of a Fast-growing Cyanobacterium Synechococcus elongatus PCC 11801 under Diurnal Cycle","STUDY_TYPE":"Measurement of relative metabolite pools under diurnal cycle using isotopic ratio method","STUDY_SUMMARY":"Experiments were carried out by growing Synechococcus elongatus PCC 11801 cells in multicultivators designed to provide sinusoidal light. The period was 14:10 (light-dark). The samples for metabolomics analysis were collected in the second diurnal cycle at an interval of 6 hours starting from 25th hour (25, 31, 37 and 43 hours). The light intensity amplitude was 600 µmole photons.m-2. s-1. Additionally samples were also collected using cells grown under continuous light illumination of 600 µmole photons.m-2. s-1 to compare the difference in metabolite levels compared to that in the diurnal cycle.","INSTITUTE":"Indian Institute of Technology Bombay","DEPARTMENT":"Department of Chemical Engineering","LABORATORY":"Biosystems Engineering Lab","LAST_NAME":"Wangikar","FIRST_NAME":"Pramod P","ADDRESS":"Department of Chemical Engineering, Indian Institute of Technology Bombay, Powai, Mumbai, Maharashtra, India - 400076","EMAIL":"wangikar@iitb.ac.in","PHONE":"+91 (22) 2576 7232 (o)"},

"SUBJECT":{"SUBJECT_TYPE":"Bacteria","SUBJECT_SPECIES":"Synechococcus elongatus PCC 11801","TAXONOMY_ID":"2219813","GENOTYPE_STRAIN":"Synechococcus elongatus PCC 11801"},
"SUBJECT_SAMPLE_FACTORS":[
{
"Subject ID":"-",
"Sample ID":"11801 LDC 25-HR BR1 IS IDA-1",
"Factors":{"Time (h)":"25","Treatment Condition":"MORNING"},
"Additional sample data":{"RAW_FILE_NAME":"11801 LDC 25-HR BR1 IS IDA-1","Light Intensity (µmole photons m-2 s-1 )":"111"}
},
{
"Subject ID":"-",
"Sample ID":"11801 LDC 25-HR BR1 IS IDA-2",
"Factors":{"Time (h)":"25","Treatment Condition":"MORNING"},
"Additional sample data":{"RAW_FILE_NAME":"11801 LDC 25-HR BR1 IS IDA-2","Light Intensity (µmole photons m-2 s-1 )":"111"}
},
{
"Subject ID":"-",
"Sample ID":"11801 LDC 25-HR BR1 IS IDA-3",
"Factors":{"Time (h)":"25","Treatment Condition":"MORNING"},
"Additional sample data":{"RAW_FILE_NAME":"11801 LDC 25-HR BR1 IS IDA-3","Light Intensity (µmole photons m-2 s-1 )":"111"}
},
{
"Subject ID":"-",
"Sample ID":"11801 LDC 25-HR BR2 IS IDA-1",
"Factors":{"Time (h)":"25","Treatment Condition":"MORNING"},
"Additional sample data":{"RAW_FILE_NAME":"11801 LDC 25-HR BR2 IS IDA-1","Light Intensity (µmole photons m-2 s-1 )":"111"}
},
{
"Subject ID":"-",
"Sample ID":"11801 LDC 25-HR BR2 IS IDA-2",
"Factors":{"Time (h)":"25","Treatment Condition":"MORNING"},
"Additional sample data":{"RAW_FILE_NAME":"11801 LDC 25-HR BR2 IS IDA-2","Light Intensity (µmole photons m-2 s-1 )":"111"}
},
{
"Subject ID":"-",
"Sample ID":"11801 LDC 25-HR BR2 IS IDA-3",
"Factors":{"Time (h)":"25","Treatment Condition":"MORNING"},
"Additional sample data":{"RAW_FILE_NAME":"11801 LDC 25-HR BR2 IS IDA-3","Light Intensity (µmole photons m-2 s-1 )":"111"}
},
{
"Subject ID":"-",
"Sample ID":"11801 LDC 25-HR BR3 IS IDA-1",
"Factors":{"Time (h)":"25","Treatment Condition":"MORNING"},
"Additional sample data":{"RAW_FILE_NAME":"11801 LDC 25-HR BR3 IS IDA-1","Light Intensity (µmole photons m-2 s-1 )":"111"}
},
{
"Subject ID":"-",
"Sample ID":"11801 LDC 25-HR BR3 IS IDA-2",
"Factors":{"Time (h)":"25","Treatment Condition":"MORNING"},
"Additional sample data":{"RAW_FILE_NAME":"11801 LDC 25-HR BR3 IS IDA-2","Light Intensity (µmole photons m-2 s-1 )":"111"}
},
{
"Subject ID":"-",
"Sample ID":"11801 LDC 25-HR BR3 IS IDA-3",
"Factors":{"Time (h)":"25","Treatment Condition":"MORNING"},
"Additional sample data":{"RAW_FILE_NAME":"11801 LDC 25-HR BR3 IS IDA-3","Light Intensity (µmole photons m-2 s-1 )":"111"}
},
{
"Subject ID":"-",
"Sample ID":"11801 LDC 31-HR BR1 IS IDA-1",
"Factors":{"Time (h)":"31","Treatment Condition":"MID-DAY"},
"Additional sample data":{"RAW_FILE_NAME":"11801 LDC 31-HR BR1 IS IDA-1","Light Intensity (µmole photons m-2 s-1 )":"600"}
},
{
"Subject ID":"-",
"Sample ID":"11801 LDC 31-HR BR1 IS IDA-2",
"Factors":{"Time (h)":"31","Treatment Condition":"MID-DAY"},
"Additional sample data":{"RAW_FILE_NAME":"11801 LDC 31-HR BR1 IS IDA-2","Light Intensity (µmole photons m-2 s-1 )":"600"}
},
{
"Subject ID":"-",
"Sample ID":"11801 LDC 31-HR BR1 IS IDA-3",
"Factors":{"Time (h)":"31","Treatment Condition":"MID-DAY"},
"Additional sample data":{"RAW_FILE_NAME":"11801 LDC 31-HR BR1 IS IDA-3","Light Intensity (µmole photons m-2 s-1 )":"600"}
},
{
"Subject ID":"-",
"Sample ID":"11801 LDC 31-HR BR2 IS IDA-1",
"Factors":{"Time (h)":"31","Treatment Condition":"MID-DAY"},
"Additional sample data":{"RAW_FILE_NAME":"11801 LDC 31-HR BR2 IS IDA-1","Light Intensity (µmole photons m-2 s-1 )":"600"}
},
{
"Subject ID":"-",
"Sample ID":"11801 LDC 31-HR BR2 IS IDA-2",
"Factors":{"Time (h)":"31","Treatment Condition":"MID-DAY"},
"Additional sample data":{"RAW_FILE_NAME":"11801 LDC 31-HR BR2 IS IDA-2","Light Intensity (µmole photons m-2 s-1 )":"600"}
},
{
"Subject ID":"-",
"Sample ID":"11801 LDC 31-HR BR2 IS IDA-3",
"Factors":{"Time (h)":"31","Treatment Condition":"MID-DAY"},
"Additional sample data":{"RAW_FILE_NAME":"11801 LDC 31-HR BR2 IS IDA-3","Light Intensity (µmole photons m-2 s-1 )":"600"}
},
{
"Subject ID":"-",
"Sample ID":"11801 LDC 31-HR BR3 IS IDA-1",
"Factors":{"Time (h)":"31","Treatment Condition":"MID-DAY"},
"Additional sample data":{"RAW_FILE_NAME":"11801 LDC 31-HR BR3 IS IDA-1","Light Intensity (µmole photons m-2 s-1 )":"600"}
},
{
"Subject ID":"-",
"Sample ID":"11801 LDC 31-HR BR3 IS IDA-2",
"Factors":{"Time (h)":"31","Treatment Condition":"MID-DAY"},
"Additional sample data":{"RAW_FILE_NAME":"11801 LDC 31-HR BR3 IS IDA-2","Light Intensity (µmole photons m-2 s-1 )":"600"}
},
{
"Subject ID":"-",
"Sample ID":"11801 LDC 31-HR BR3 IS IDA-3",
"Factors":{"Time (h)":"31","Treatment Condition":"MID-DAY"},
"Additional sample data":{"RAW_FILE_NAME":"11801 LDC 31-HR BR3 IS IDA-3","Light Intensity (µmole photons m-2 s-1 )":"600"}
},
{
"Subject ID":"-",
"Sample ID":"11801 LDC 37-HR BR1 IS IDA-1",
"Factors":{"Time (h)":"37","Treatment Condition":"EVENING"},
"Additional sample data":{"RAW_FILE_NAME":"11801 LDC 37-HR BR1 IS IDA-1","Light Intensity (µmole photons m-2 s-1 )":"156"}
},
{
"Subject ID":"-",
"Sample ID":"11801 LDC 37-HR BR1 IS IDA-2",
"Factors":{"Time (h)":"37","Treatment Condition":"EVENING"},
"Additional sample data":{"RAW_FILE_NAME":"11801 LDC 37-HR BR1 IS IDA-2","Light Intensity (µmole photons m-2 s-1 )":"156"}
},
{
"Subject ID":"-",
"Sample ID":"11801 LDC 37-HR BR1 IS IDA-3",
"Factors":{"Time (h)":"37","Treatment Condition":"EVENING"},
"Additional sample data":{"RAW_FILE_NAME":"11801 LDC 37-HR BR1 IS IDA-3","Light Intensity (µmole photons m-2 s-1 )":"156"}
},
{
"Subject ID":"-",
"Sample ID":"11801 LDC 37-HR BR2 IS IDA-1",
"Factors":{"Time (h)":"37","Treatment Condition":"EVENING"},
"Additional sample data":{"RAW_FILE_NAME":"11801 LDC 37-HR BR2 IS IDA-1","Light Intensity (µmole photons m-2 s-1 )":"156"}
},
{
"Subject ID":"-",
"Sample ID":"11801 LDC 37-HR BR2 IS IDA-2",
"Factors":{"Time (h)":"37","Treatment Condition":"EVENING"},
"Additional sample data":{"RAW_FILE_NAME":"11801 LDC 37-HR BR2 IS IDA-2","Light Intensity (µmole photons m-2 s-1 )":"156"}
},
{
"Subject ID":"-",
"Sample ID":"11801 LDC 37-HR BR2 IS IDA-3",
"Factors":{"Time (h)":"37","Treatment Condition":"EVENING"},
"Additional sample data":{"RAW_FILE_NAME":"11801 LDC 37-HR BR2 IS IDA-3","Light Intensity (µmole photons m-2 s-1 )":"156"}
},
{
"Subject ID":"-",
"Sample ID":"11801 LDC 37-HR BR3 IS IDA-1",
"Factors":{"Time (h)":"37","Treatment Condition":"EVENING"},
"Additional sample data":{"RAW_FILE_NAME":"11801 LDC 37-HR BR3 IS IDA-1","Light Intensity (µmole photons m-2 s-1 )":"156"}
},
{
"Subject ID":"-",
"Sample ID":"11801 LDC 37-HR BR3 IS IDA-2",
"Factors":{"Time (h)":"37","Treatment Condition":"EVENING"},
"Additional sample data":{"RAW_FILE_NAME":"11801 LDC 37-HR BR3 IS IDA-2","Light Intensity (µmole photons m-2 s-1 )":"156"}
},
{
"Subject ID":"-",
"Sample ID":"11801 LDC 37-HR BR3 IS IDA-3",
"Factors":{"Time (h)":"37","Treatment Condition":"EVENING"},
"Additional sample data":{"RAW_FILE_NAME":"11801 LDC 37-HR BR3 IS IDA-3","Light Intensity (µmole photons m-2 s-1 )":"156"}
},
{
"Subject ID":"-",
"Sample ID":"11801 LDC 43-HR BR1 IS IDA-1",
"Factors":{"Time (h)":"43","Treatment Condition":"MID-NIGHT"},
"Additional sample data":{"RAW_FILE_NAME":"11801 LDC 43-HR BR1 IS IDA-1","Light Intensity (µmole photons m-2 s-1 )":"-"}
},
{
"Subject ID":"-",
"Sample ID":"11801 LDC 43-HR BR1 IS IDA-2",
"Factors":{"Time (h)":"43","Treatment Condition":"MID-NIGHT"},
"Additional sample data":{"RAW_FILE_NAME":"11801 LDC 43-HR BR1 IS IDA-2","Light Intensity (µmole photons m-2 s-1 )":"-"}
},
{
"Subject ID":"-",
"Sample ID":"11801 LDC 43-HR BR1 IS IDA-3",
"Factors":{"Time (h)":"43","Treatment Condition":"MID-NIGHT"},
"Additional sample data":{"RAW_FILE_NAME":"11801 LDC 43-HR BR1 IS IDA-3","Light Intensity (µmole photons m-2 s-1 )":"-"}
},
{
"Subject ID":"-",
"Sample ID":"11801 LDC 43-HR BR2 IS IDA-1",
"Factors":{"Time (h)":"43","Treatment Condition":"MID-NIGHT"},
"Additional sample data":{"RAW_FILE_NAME":"11801 LDC 43-HR BR2 IS IDA-1","Light Intensity (µmole photons m-2 s-1 )":"-"}
},
{
"Subject ID":"-",
"Sample ID":"11801 LDC 43-HR BR2 IS IDA-2",
"Factors":{"Time (h)":"43","Treatment Condition":"MID-NIGHT"},
"Additional sample data":{"RAW_FILE_NAME":"11801 LDC 43-HR BR2 IS IDA-2","Light Intensity (µmole photons m-2 s-1 )":"-"}
},
{
"Subject ID":"-",
"Sample ID":"11801 LDC 43-HR BR2 IS IDA-3",
"Factors":{"Time (h)":"43","Treatment Condition":"MID-NIGHT"},
"Additional sample data":{"RAW_FILE_NAME":"11801 LDC 43-HR BR2 IS IDA-3","Light Intensity (µmole photons m-2 s-1 )":"-"}
},
{
"Subject ID":"-",
"Sample ID":"11801 LDC 43-HR BR3 IS IDA-1",
"Factors":{"Time (h)":"43","Treatment Condition":"MID-NIGHT"},
"Additional sample data":{"RAW_FILE_NAME":"11801 LDC 43-HR BR3 IS IDA-1","Light Intensity (µmole photons m-2 s-1 )":"-"}
},
{
"Subject ID":"-",
"Sample ID":"11801 LDC 43-HR BR3 IS IDA-2",
"Factors":{"Time (h)":"43","Treatment Condition":"MID-NIGHT"},
"Additional sample data":{"RAW_FILE_NAME":"11801 LDC 43-HR BR3 IS IDA-2","Light Intensity (µmole photons m-2 s-1 )":"-"}
},
{
"Subject ID":"-",
"Sample ID":"11801 LDC 43-HR BR3 IS IDA-3",
"Factors":{"Time (h)":"43","Treatment Condition":"MID-NIGHT"},
"Additional sample data":{"RAW_FILE_NAME":"11801 LDC 43-HR BR3 IS IDA-3","Light Intensity (µmole photons m-2 s-1 )":"-"}
},
{
"Subject ID":"-",
"Sample ID":"11801 600uE CLDC BR1 IS IDA-1",
"Factors":{"Time (h)":"-","Treatment Condition":"CONTINUOUS LIGHT ILLUMINATION"},
"Additional sample data":{"RAW_FILE_NAME":"11801 600uE CLDC BR1 IS IDA-1","Light Intensity (µmole photons m-2 s-1 )":"600"}
},
{
"Subject ID":"-",
"Sample ID":"11801 600uE CLDC BR1 IS IDA-2",
"Factors":{"Time (h)":"-","Treatment Condition":"CONTINUOUS LIGHT ILLUMINATION"},
"Additional sample data":{"RAW_FILE_NAME":"11801 600uE CLDC BR1 IS IDA-2","Light Intensity (µmole photons m-2 s-1 )":"600"}
},
{
"Subject ID":"-",
"Sample ID":"11801 600uE CLDC BR1 IS IDA-3",
"Factors":{"Time (h)":"-","Treatment Condition":"CONTINUOUS LIGHT ILLUMINATION"},
"Additional sample data":{"RAW_FILE_NAME":"11801 600uE CLDC BR1 IS IDA-3","Light Intensity (µmole photons m-2 s-1 )":"600"}
},
{
"Subject ID":"-",
"Sample ID":"11801 600uE CLDC BR2 IS IDA-1",
"Factors":{"Time (h)":"-","Treatment Condition":"CONTINUOUS LIGHT ILLUMINATION"},
"Additional sample data":{"RAW_FILE_NAME":"11801 600uE CLDC BR2 IS IDA-1","Light Intensity (µmole photons m-2 s-1 )":"600"}
},
{
"Subject ID":"-",
"Sample ID":"11801 600uE CLDC BR2 IS IDA-2",
"Factors":{"Time (h)":"-","Treatment Condition":"CONTINUOUS LIGHT ILLUMINATION"},
"Additional sample data":{"RAW_FILE_NAME":"11801 600uE CLDC BR2 IS IDA-2","Light Intensity (µmole photons m-2 s-1 )":"600"}
},
{
"Subject ID":"-",
"Sample ID":"11801 600uE CLDC BR2 IS IDA-3",
"Factors":{"Time (h)":"-","Treatment Condition":"CONTINUOUS LIGHT ILLUMINATION"},
"Additional sample data":{"RAW_FILE_NAME":"11801 600uE CLDC BR2 IS IDA-3","Light Intensity (µmole photons m-2 s-1 )":"600"}
},
{
"Subject ID":"-",
"Sample ID":"11801 600uE CLDC BR3 IS IDA-1",
"Factors":{"Time (h)":"-","Treatment Condition":"CONTINUOUS LIGHT ILLUMINATION"},
"Additional sample data":{"RAW_FILE_NAME":"11801 600uE CLDC BR3 IS IDA-1","Light Intensity (µmole photons m-2 s-1 )":"600"}
},
{
"Subject ID":"-",
"Sample ID":"11801 600uE CLDC BR3 IS IDA-2",
"Factors":{"Time (h)":"-","Treatment Condition":"CONTINUOUS LIGHT ILLUMINATION"},
"Additional sample data":{"RAW_FILE_NAME":"11801 600uE CLDC BR3 IS IDA-2","Light Intensity (µmole photons m-2 s-1 )":"600"}
},
{
"Subject ID":"-",
"Sample ID":"11801 600uE CLDC BR3 IS IDA-3",
"Factors":{"Time (h)":"-","Treatment Condition":"CONTINUOUS LIGHT ILLUMINATION"},
"Additional sample data":{"RAW_FILE_NAME":"11801 600uE CLDC BR3 IS IDA-3","Light Intensity (µmole photons m-2 s-1 )":"600"}
}
],
"COLLECTION":{"COLLECTION_SUMMARY":"Experiments were carried out by growing Synechococcus elongatus PCC 11801 cells in multicultivators designed to provide sinusoidal light. The period was 14:10 (light-dark). The samples for metabolomics analysis were collected in the second diurnal cycle at an interval of 6 hours starting from 25th hour (25, 31, 37 and 43 hours). The light intensity amplitude was 600 µmole photons m-2 s-1. Additionally samples were also collected using cells grown under continuous light illumination of 600 µmole photons m-2 s-1 to compare the difference in metabolite levels compared to that in the diurnal cycle. 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 information-dependent acquisition (IDA) method.","SAMPLE_TYPE":"Bacterial cells"},

"TREATMENT":{"TREATMENT_SUMMARY":"The metabolites were extracted using a methanol-chloroform-water method described in the Sample Collection and Treatment Protocol 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 metabolite extract of each test sample was mixed with equal volume of an extract of the PCC 11801 WT biomass that is fully labeled with 13C isotopic carbon by growing for ~5 generations in the presence of NaH13CO3 in modified BG-11 medium. 13C-labeled biomass of PCC 11801 that acted as an internal standard. The injection volume was 6 µL. The peak areas corresponding to the 12C and 13C monoisotopic peak for the metabolites of interest were quantified using MultiQuant 3.0.1 (SCIEX, Framingham, MA). The relative quantification of metabolites was done using isotopic ratio method by normalizing area under the peak for monoisotopic m/z of a particular metabolite by its respective highest possible isotopologue present in the internal standard giving area ratio.","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)","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","SOLVENT_A":"10 mM tributylamine + 15mM acetic acid in water","SOLVENT_B":"100% Methanol"},

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

"MS":{"INSTRUMENT_NAME":"ABI Sciex 5600+ TripleTOF","INSTRUMENT_TYPE":"QTOF","MS_TYPE":"ESI","ION_MODE":"NEGATIVE","MS_COMMENTS":"The peak areas corresponding to the 12C and 13C monoisotopic peak for the metabolites of interest were quantified using MultiQuant 3.0.1 (SCIEX, Framingham, MA). The relative quantification of metabolites was done using isotopic ratio method by normalizing area under the peak for monoisotopic m/z of a particular metabolite by its respective highest possible isotopologue present in the internal standard giving area ratio."},

"MS_METABOLITE_DATA":{
"Units":"Area Ratio",

"Data":[{"Metabolite":"3-phosphoglycerate","11801 LDC 25-HR BR1 IS IDA-1":"0.53","11801 LDC 25-HR BR1 IS IDA-2":"0.51","11801 LDC 25-HR BR1 IS IDA-3":"0.53","11801 LDC 25-HR BR2 IS IDA-1":"0.38","11801 LDC 25-HR BR2 IS IDA-2":"0.38","11801 LDC 25-HR BR2 IS IDA-3":"0.38","11801 LDC 25-HR BR3 IS IDA-1":"0.36","11801 LDC 25-HR BR3 IS IDA-2":"0.38","11801 LDC 25-HR BR3 IS IDA-3":"0.37","11801 LDC 31-HR BR1 IS IDA-1":"0.94","11801 LDC 31-HR BR1 IS IDA-2":"0.93","11801 LDC 31-HR BR1 IS IDA-3":"0.93","11801 LDC 31-HR BR2 IS IDA-1":"1.08","11801 LDC 31-HR BR2 IS IDA-2":"1.10","11801 LDC 31-HR BR2 IS IDA-3":"1.10","11801 LDC 31-HR BR3 IS IDA-1":"0.87","11801 LDC 31-HR BR3 IS IDA-2":"0.87","11801 LDC 31-HR BR3 IS IDA-3":"0.90","11801 LDC 37-HR BR1 IS IDA-1":"0.28","11801 LDC 37-HR BR1 IS IDA-2":"0.29","11801 LDC 37-HR BR1 IS IDA-3":"0.29","11801 LDC 37-HR BR2 IS IDA-1":"0.26","11801 LDC 37-HR BR2 IS IDA-2":"0.27","11801 LDC 37-HR BR2 IS IDA-3":"0.26","11801 LDC 37-HR BR3 IS IDA-1":"0.23","11801 LDC 37-HR BR3 IS IDA-2":"0.23","11801 LDC 37-HR BR3 IS IDA-3":"0.23","11801 LDC 43-HR BR1 IS IDA-1":"0.30","11801 LDC 43-HR BR1 IS IDA-2":"0.33","11801 LDC 43-HR BR1 IS IDA-3":"0.33","11801 LDC 43-HR BR2 IS IDA-1":"0.29","11801 LDC 43-HR BR2 IS IDA-2":"0.30","11801 LDC 43-HR BR2 IS IDA-3":"0.29","11801 LDC 43-HR BR3 IS IDA-1":"0.31","11801 LDC 43-HR BR3 IS IDA-2":"0.32","11801 LDC 43-HR BR3 IS IDA-3":"0.32","11801 600uE CLDC BR1 IS IDA-1":"1.33","11801 600uE CLDC BR1 IS IDA-2":"1.33","11801 600uE CLDC BR1 IS IDA-3":"1.31","11801 600uE CLDC BR2 IS IDA-1":"1.23","11801 600uE CLDC BR2 IS IDA-2":"1.24","11801 600uE CLDC BR2 IS IDA-3":"1.27","11801 600uE CLDC BR3 IS IDA-1":"1.10","11801 600uE CLDC BR3 IS IDA-2":"1.15","11801 600uE CLDC BR3 IS IDA-3":"1.11"},{"Metabolite":"6-phosphogluconate","11801 LDC 25-HR BR1 IS IDA-1":"0.21","11801 LDC 25-HR BR1 IS IDA-2":"0.23","11801 LDC 25-HR BR1 IS IDA-3":"0.25","11801 LDC 25-HR BR2 IS IDA-1":"0.15","11801 LDC 25-HR BR2 IS IDA-2":"0.17","11801 LDC 25-HR BR2 IS IDA-3":"0.16","11801 LDC 25-HR BR3 IS IDA-1":"0.13","11801 LDC 25-HR BR3 IS IDA-2":"0.13","11801 LDC 25-HR BR3 IS IDA-3":"0.12","11801 LDC 31-HR BR1 IS IDA-1":"0.66","11801 LDC 31-HR BR1 IS IDA-2":"0.72","11801 LDC 31-HR BR1 IS IDA-3":"0.73","11801 LDC 31-HR BR2 IS IDA-1":"0.42","11801 LDC 31-HR BR2 IS IDA-2":"0.43","11801 LDC 31-HR BR2 IS IDA-3":"0.40","11801 LDC 31-HR BR3 IS IDA-1":"0.65","11801 LDC 31-HR BR3 IS IDA-2":"0.75","11801 LDC 31-HR BR3 IS IDA-3":"0.74","11801 LDC 37-HR BR1 IS IDA-1":"0.18","11801 LDC 37-HR BR1 IS IDA-2":"0.21","11801 LDC 37-HR BR1 IS IDA-3":"0.19","11801 LDC 37-HR BR2 IS IDA-1":"0.10","11801 LDC 37-HR BR2 IS IDA-2":"0.11","11801 LDC 37-HR BR2 IS IDA-3":"0.11","11801 LDC 37-HR BR3 IS IDA-1":"0.21","11801 LDC 37-HR BR3 IS IDA-2":"0.23","11801 LDC 37-HR BR3 IS IDA-3":"0.22","11801 LDC 43-HR BR1 IS IDA-1":"0.06","11801 LDC 43-HR BR1 IS IDA-2":"0.06","11801 LDC 43-HR BR1 IS IDA-3":"0.07","11801 LDC 43-HR BR2 IS IDA-1":"0.08","11801 LDC 43-HR BR2 IS IDA-2":"0.07","11801 LDC 43-HR BR2 IS IDA-3":"0.13","11801 LDC 43-HR BR3 IS IDA-1":"0.07","11801 LDC 43-HR BR3 IS IDA-2":"0.08","11801 LDC 43-HR BR3 IS IDA-3":"0.08","11801 600uE CLDC BR1 IS IDA-1":"0.54","11801 600uE CLDC BR1 IS IDA-2":"0.52","11801 600uE CLDC BR1 IS IDA-3":"0.57","11801 600uE CLDC BR2 IS IDA-1":"0.82","11801 600uE CLDC BR2 IS IDA-2":"0.82","11801 600uE CLDC BR2 IS IDA-3":"0.86","11801 600uE CLDC BR3 IS IDA-1":"0.90","11801 600uE CLDC BR3 IS IDA-2":"0.89","11801 600uE CLDC BR3 IS IDA-3":"0.99"},{"Metabolite":"Acetyl Coenzyme A","11801 LDC 25-HR BR1 IS IDA-1":"19.60","11801 LDC 25-HR BR1 IS IDA-2":"17.62","11801 LDC 25-HR BR1 IS IDA-3":"19.46","11801 LDC 25-HR BR2 IS IDA-1":"13.88","11801 LDC 25-HR BR2 IS IDA-2":"13.80","11801 LDC 25-HR BR2 IS IDA-3":"15.60","11801 LDC 25-HR BR3 IS IDA-1":"9.93","11801 LDC 25-HR BR3 IS IDA-2":"7.05","11801 LDC 25-HR BR3 IS IDA-3":"11.90","11801 LDC 31-HR BR1 IS IDA-1":"13.80","11801 LDC 31-HR BR1 IS IDA-2":"12.20","11801 LDC 31-HR BR1 IS IDA-3":"15.29","11801 LDC 31-HR BR2 IS IDA-1":"11.28","11801 LDC 31-HR BR2 IS IDA-2":"19.30","11801 LDC 31-HR BR2 IS IDA-3":"17.74","11801 LDC 31-HR BR3 IS IDA-1":"15.05","11801 LDC 31-HR BR3 IS IDA-2":"12.87","11801 LDC 31-HR BR3 IS IDA-3":"15.31","11801 LDC 37-HR BR1 IS IDA-1":"17.03","11801 LDC 37-HR BR1 IS IDA-2":"14.38","11801 LDC 37-HR BR1 IS IDA-3":"19.96","11801 LDC 37-HR BR2 IS IDA-1":"9.49","11801 LDC 37-HR BR2 IS IDA-2":"17.07","11801 LDC 37-HR BR2 IS IDA-3":"11.58","11801 LDC 37-HR BR3 IS IDA-1":"7.61","11801 LDC 37-HR BR3 IS IDA-2":"25.05","11801 LDC 37-HR BR3 IS IDA-3":"14.06","11801 LDC 43-HR BR1 IS IDA-1":"12.21","11801 LDC 43-HR BR1 IS IDA-2":"10.19","11801 LDC 43-HR BR1 IS IDA-3":"13.66","11801 LDC 43-HR BR2 IS IDA-1":"6.95","11801 LDC 43-HR BR2 IS IDA-2":"10.26","11801 LDC 43-HR BR2 IS IDA-3":"9.31","11801 LDC 43-HR BR3 IS IDA-1":"11.43","11801 LDC 43-HR BR3 IS IDA-2":"11.67","11801 LDC 43-HR BR3 IS IDA-3":"7.54","11801 600uE CLDC BR1 IS IDA-1":"15.72","11801 600uE CLDC BR1 IS IDA-2":"12.11","11801 600uE CLDC BR1 IS IDA-3":"12.71","11801 600uE CLDC BR2 IS IDA-1":"10.06","11801 600uE CLDC BR2 IS IDA-2":"10.70","11801 600uE CLDC BR2 IS IDA-3":"11.31","11801 600uE CLDC BR3 IS IDA-1":"10.39","11801 600uE CLDC BR3 IS IDA-2":"7.78","11801 600uE CLDC BR3 IS IDA-3":"9.18"},{"Metabolite":"Adenosine diphosphate","11801 LDC 25-HR BR1 IS IDA-1":"2.31","11801 LDC 25-HR BR1 IS IDA-2":"2.36","11801 LDC 25-HR BR1 IS IDA-3":"2.30","11801 LDC 25-HR BR2 IS IDA-1":"1.50","11801 LDC 25-HR BR2 IS IDA-2":"1.55","11801 LDC 25-HR BR2 IS IDA-3":"1.53","11801 LDC 25-HR BR3 IS IDA-1":"1.98","11801 LDC 25-HR BR3 IS IDA-2":"1.77","11801 LDC 25-HR BR3 IS IDA-3":"1.73","11801 LDC 31-HR BR1 IS IDA-1":"1.60","11801 LDC 31-HR BR1 IS IDA-2":"1.58","11801 LDC 31-HR BR1 IS IDA-3":"1.65","11801 LDC 31-HR BR2 IS IDA-1":"2.01","11801 LDC 31-HR BR2 IS IDA-2":"1.95","11801 LDC 31-HR BR2 IS IDA-3":"1.96","11801 LDC 31-HR BR3 IS IDA-1":"1.74","11801 LDC 31-HR BR3 IS 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IDA-1":"1.65","11801 600uE CLDC BR3 IS IDA-2":"1.62","11801 600uE CLDC BR3 IS IDA-3":"1.61"},{"Metabolite":"Adenosine monophosphate","11801 LDC 25-HR BR1 IS IDA-1":"3.99","11801 LDC 25-HR BR1 IS IDA-2":"3.59","11801 LDC 25-HR BR1 IS IDA-3":"3.94","11801 LDC 25-HR BR2 IS IDA-1":"2.73","11801 LDC 25-HR BR2 IS IDA-2":"2.79","11801 LDC 25-HR BR2 IS IDA-3":"2.81","11801 LDC 25-HR BR3 IS IDA-1":"3.13","11801 LDC 25-HR BR3 IS IDA-2":"3.47","11801 LDC 25-HR BR3 IS IDA-3":"3.24","11801 LDC 31-HR BR1 IS IDA-1":"2.00","11801 LDC 31-HR BR1 IS IDA-2":"2.03","11801 LDC 31-HR BR1 IS IDA-3":"1.96","11801 LDC 31-HR BR2 IS IDA-1":"2.20","11801 LDC 31-HR BR2 IS IDA-2":"2.22","11801 LDC 31-HR BR2 IS IDA-3":"2.22","11801 LDC 31-HR BR3 IS IDA-1":"1.94","11801 LDC 31-HR BR3 IS IDA-2":"1.87","11801 LDC 31-HR BR3 IS IDA-3":"1.78","11801 LDC 37-HR BR1 IS IDA-1":"0.57","11801 LDC 37-HR BR1 IS IDA-2":"0.70","11801 LDC 37-HR BR1 IS IDA-3":"0.56","11801 LDC 37-HR BR2 IS IDA-1":"0.63","11801 LDC 37-HR BR2 IS 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43-HR BR3 IS IDA-2":"11.10","11801 LDC 43-HR BR3 IS IDA-3":"11.49","11801 600uE CLDC BR1 IS IDA-1":"7.92","11801 600uE CLDC BR1 IS IDA-2":"5.22","11801 600uE CLDC BR1 IS IDA-3":"7.21","11801 600uE CLDC BR2 IS IDA-1":"6.19","11801 600uE CLDC BR2 IS IDA-2":"6.95","11801 600uE CLDC BR2 IS IDA-3":"7.94","11801 600uE CLDC BR3 IS IDA-1":"6.28","11801 600uE CLDC BR3 IS IDA-2":"5.32","11801 600uE CLDC BR3 IS IDA-3":"6.13"},{"Metabolite":"ADP-glucose","11801 LDC 25-HR BR1 IS IDA-1":"27.87","11801 LDC 25-HR BR1 IS IDA-2":"30.54","11801 LDC 25-HR BR1 IS IDA-3":"42.89","11801 LDC 25-HR BR2 IS IDA-1":"15.57","11801 LDC 25-HR BR2 IS IDA-2":"19.13","11801 LDC 25-HR BR2 IS IDA-3":"20.62","11801 LDC 25-HR BR3 IS IDA-1":"23.08","11801 LDC 25-HR BR3 IS IDA-2":"23.88","11801 LDC 25-HR BR3 IS IDA-3":"46.26","11801 LDC 31-HR BR1 IS IDA-1":"6.93","11801 LDC 31-HR BR1 IS IDA-2":"4.75","11801 LDC 31-HR BR1 IS IDA-3":"7.67","11801 LDC 31-HR BR2 IS IDA-1":"8.22","11801 LDC 31-HR BR2 IS IDA-2":"8.22","11801 LDC 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IDA-3":"0.91"},{"Metabolite":"Gamma-glutamyl-Methionine","11801 LDC 25-HR BR1 IS IDA-1":"10.19","11801 LDC 25-HR BR1 IS IDA-2":"12.46","11801 LDC 25-HR BR1 IS IDA-3":"11.05","11801 LDC 25-HR BR2 IS IDA-1":"8.04","11801 LDC 25-HR BR2 IS IDA-2":"8.27","11801 LDC 25-HR BR2 IS IDA-3":"9.02","11801 LDC 25-HR BR3 IS IDA-1":"8.60","11801 LDC 25-HR BR3 IS IDA-2":"7.69","11801 LDC 25-HR BR3 IS IDA-3":"7.11","11801 LDC 31-HR BR1 IS IDA-1":"1.17","11801 LDC 31-HR BR1 IS IDA-2":"1.26","11801 LDC 31-HR BR1 IS IDA-3":"1.28","11801 LDC 31-HR BR2 IS IDA-1":"1.57","11801 LDC 31-HR BR2 IS IDA-2":"1.46","11801 LDC 31-HR BR2 IS IDA-3":"1.67","11801 LDC 31-HR BR3 IS IDA-1":"1.60","11801 LDC 31-HR BR3 IS IDA-2":"1.73","11801 LDC 31-HR BR3 IS IDA-3":"1.79","11801 LDC 37-HR BR1 IS IDA-1":"4.21","11801 LDC 37-HR BR1 IS IDA-2":"4.16","11801 LDC 37-HR BR1 IS IDA-3":"3.90","11801 LDC 37-HR BR2 IS IDA-1":"3.62","11801 LDC 37-HR BR2 IS IDA-2":"3.39","11801 LDC 37-HR BR2 IS IDA-3":"3.81","11801 LDC 37-HR BR3 IS 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25-HR BR2 IS IDA-2":"20.65","11801 LDC 25-HR BR2 IS IDA-3":"25.43","11801 LDC 25-HR BR3 IS IDA-1":"24.08","11801 LDC 25-HR BR3 IS IDA-2":"24.80","11801 LDC 25-HR BR3 IS IDA-3":"28.09","11801 LDC 31-HR BR1 IS IDA-1":"1.89","11801 LDC 31-HR BR1 IS IDA-2":"0.04","11801 LDC 31-HR BR1 IS IDA-3":"1.74","11801 LDC 31-HR BR2 IS IDA-1":"1.91","11801 LDC 31-HR BR2 IS IDA-2":"1.67","11801 LDC 31-HR BR2 IS IDA-3":"1.95","11801 LDC 31-HR BR3 IS IDA-1":"1.80","11801 LDC 31-HR BR3 IS IDA-2":"1.55","11801 LDC 31-HR BR3 IS IDA-3":"1.73","11801 LDC 37-HR BR1 IS IDA-1":"3.48","11801 LDC 37-HR BR1 IS IDA-2":"3.71","11801 LDC 37-HR BR1 IS IDA-3":"3.66","11801 LDC 37-HR BR2 IS IDA-1":"3.72","11801 LDC 37-HR BR2 IS IDA-2":"4.25","11801 LDC 37-HR BR2 IS IDA-3":"3.70","11801 LDC 37-HR BR3 IS IDA-1":"4.73","11801 LDC 37-HR BR3 IS IDA-2":"4.61","11801 LDC 37-HR BR3 IS IDA-3":"4.23","11801 LDC 43-HR BR1 IS IDA-1":"6.96","11801 LDC 43-HR BR1 IS IDA-2":"7.10","11801 LDC 43-HR BR1 IS IDA-3":"7.05","11801 LDC 43-HR 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LDC 31-HR BR1 IS IDA-2":"0.38","11801 LDC 31-HR BR1 IS IDA-3":"0.46","11801 LDC 31-HR BR2 IS IDA-1":"0.42","11801 LDC 31-HR BR2 IS IDA-2":"0.45","11801 LDC 31-HR BR2 IS IDA-3":"0.51","11801 LDC 31-HR BR3 IS IDA-1":"0.47","11801 LDC 31-HR BR3 IS IDA-2":"0.43","11801 LDC 31-HR BR3 IS IDA-3":"0.47","11801 LDC 37-HR BR1 IS IDA-1":"1.35","11801 LDC 37-HR BR1 IS IDA-2":"1.50","11801 LDC 37-HR BR1 IS IDA-3":"1.29","11801 LDC 37-HR BR2 IS IDA-1":"1.09","11801 LDC 37-HR BR2 IS IDA-2":"1.77","11801 LDC 37-HR BR2 IS IDA-3":"1.62","11801 LDC 37-HR BR3 IS IDA-1":"2.15","11801 LDC 37-HR BR3 IS IDA-2":"1.92","11801 LDC 37-HR BR3 IS IDA-3":"2.18","11801 LDC 43-HR BR1 IS IDA-1":"9.81","11801 LDC 43-HR BR1 IS IDA-2":"9.42","11801 LDC 43-HR BR1 IS IDA-3":"9.92","11801 LDC 43-HR BR2 IS IDA-1":"13.06","11801 LDC 43-HR BR2 IS IDA-2":"12.74","11801 LDC 43-HR BR2 IS IDA-3":"11.91","11801 LDC 43-HR BR3 IS IDA-1":"12.39","11801 LDC 43-HR BR3 IS IDA-2":"12.43","11801 LDC 43-HR BR3 IS IDA-3":"12.63","11801 600uE 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IDA-3":"24.14"},{"Metabolite":"UDP-xylose","11801 LDC 25-HR BR1 IS IDA-1":"7.11","11801 LDC 25-HR BR1 IS IDA-2":"7.73","11801 LDC 25-HR BR1 IS IDA-3":"8.26","11801 LDC 25-HR BR2 IS IDA-1":"6.14","11801 LDC 25-HR BR2 IS IDA-2":"7.30","11801 LDC 25-HR BR2 IS IDA-3":"6.87","11801 LDC 25-HR BR3 IS IDA-1":"5.69","11801 LDC 25-HR BR3 IS IDA-2":"8.55","11801 LDC 25-HR BR3 IS IDA-3":"6.70","11801 LDC 31-HR BR1 IS IDA-1":"3.54","11801 LDC 31-HR BR1 IS IDA-2":"2.51","11801 LDC 31-HR BR1 IS IDA-3":"3.07","11801 LDC 31-HR BR2 IS IDA-1":"3.27","11801 LDC 31-HR BR2 IS IDA-2":"3.25","11801 LDC 31-HR BR2 IS IDA-3":"3.48","11801 LDC 31-HR BR3 IS IDA-1":"3.50","11801 LDC 31-HR BR3 IS IDA-2":"2.69","11801 LDC 31-HR BR3 IS IDA-3":"2.70","11801 LDC 37-HR BR1 IS IDA-1":"2.93","11801 LDC 37-HR BR1 IS IDA-2":"2.60","11801 LDC 37-HR BR1 IS IDA-3":"2.51","11801 LDC 37-HR BR2 IS IDA-1":"3.07","11801 LDC 37-HR BR2 IS IDA-2":"3.12","11801 LDC 37-HR BR2 IS IDA-3":"2.76","11801 LDC 37-HR BR3 IS IDA-1":"3.02","11801 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"Metabolites":[{"Metabolite":"3-phosphoglycerate","quantified m/z (Da)":"184.99","retention index (min)":"14.73","KEGG ID":"C00197     ","HMDB ID":"HMDB0000807"},{"Metabolite":"6-phosphogluconate","quantified m/z (Da)":"274.98","retention index (min)":"14.70","KEGG ID":"C04442 ","HMDB ID":"HMDB0001316"},{"Metabolite":"Acetyl Coenzyme A","quantified m/z (Da)":"808.13","retention index (min)":"15.65","KEGG ID":"C00024","HMDB ID":"HMDB0001206"},{"Metabolite":"Adenosine diphosphate","quantified m/z (Da)":"426.02","retention index (min)":"14.95","KEGG ID":"C00008  ","HMDB ID":"HMDB0001341"},{"Metabolite":"Adenosine monophosphate","quantified m/z (Da)":"346.06","retention index (min)":"13.72","KEGG ID":"C00020  ","HMDB ID":"HMDB0000045"},{"Metabolite":"Adenosine triphosphate","quantified m/z (Da)":"505.99","retention index (min)":"15.26","KEGG ID":"C00002","HMDB ID":"HMDB0000538"},{"Metabolite":"ADP ribose 1,2 cyclic phosphate","quantified m/z (Da)":"620.02","retention index 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(Da)":"259.14","retention index (min)":"12.20","KEGG ID":"-","HMDB ID":"HMDB0011170"},{"Metabolite":"Gamma-glutamyl-Leucine","quantified m/z (Da)":"259.14","retention index (min)":"12.75","KEGG ID":"-","HMDB ID":"HMDB0011171"},{"Metabolite":"Gamma-glutamyl-Methionine","quantified m/z (Da)":"277.09","retention index (min)":"10.80","KEGG ID":"-","HMDB ID":"HMDB0034367"},{"Metabolite":"Gamma-glutamyl-Phenylalanine","quantified m/z (Da)":"293.07","retention index (min)":"13.80","KEGG ID":"-","HMDB ID":"HMDB0000594"},{"Metabolite":"Gamma-glutamyl-Tryptophan","quantified m/z (Da)":"332.07","retention index (min)":"14.40","KEGG ID":"-","HMDB ID":"HMDB0029160"},{"Metabolite":"Gamma-glutamyl-Tyrosine","quantified m/z (Da)":"309.03","retention index (min)":"10.90","KEGG ID":"-","HMDB ID":"HMDB0011741"},{"Metabolite":"Gamma-glutamyl-Valine","quantified m/z (Da)":"245.11","retention index (min)":"10.40","KEGG ID":"-","HMDB ID":"HMDB0011172"},{"Metabolite":"GDP-fucose","quantified m/z (Da)":"588.08","retention index (min)":"13.60","KEGG ID":"C00325 ","HMDB ID":"HMDB0001095"},{"Metabolite":"GDP-mannose","quantified m/z (Da)":"604.07","retention index (min)":"13.11","KEGG ID":"C00096     ","HMDB ID":"HMDB0001163"},{"Metabolite":"Glucose-6-phosphate","quantified m/z (Da)":"259.02","retention index (min)":"10.60","KEGG ID":"C00668","HMDB ID":"HMDB0001401"},{"Metabolite":"Glutamate","quantified m/z (Da)":"146.05","retention index (min)":"5.72","KEGG ID":"C00025","HMDB ID":"HMDB0000148"},{"Metabolite":"Glutamine","quantified m/z (Da)":"145.09","retention index (min)":"1.20","KEGG ID":"C00064","HMDB ID":"HMDB0003423"},{"Metabolite":"Glycerol-3-phosphate","quantified m/z (Da)":"171.01","retention index (min)":"11.48","KEGG ID":"C00093","HMDB ID":"HMDB0000126"},{"Metabolite":"Guanosine triphosphate","quantified m/z (Da)":"521.99","retention index (min)":"15.15","KEGG ID":"C00044","HMDB ID":"HMDB0001273"},{"Metabolite":"Guanosine diphosphate","quantified m/z 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}

}