{
"METABOLOMICS WORKBENCH":{"STUDY_ID":"ST002272","ANALYSIS_ID":"AN003714","VERSION":"1","CREATED_ON":"August 29, 2022, 5:35 am"},

"PROJECT":{"PROJECT_TITLE":"Germination physiology","PROJECT_SUMMARY":"Seeds are the major component of feed and food and the majority of crops are produced from seeds. This means that as the world population increases so does the demand for seed. Sub-optimal seed performance can lead to major economic losses and food supply shortages and this is set to be aggravated by climate change as abiotic constraints negatively impact seed quality. Our aim is to decrypt the central mechanisms that mediate germination while exploring their potential in applications to enhance seed performance. In particular, we seek to understand how seeds interpret and respond to environmental variations pre- and post-harvest. We apply a multidisciplinary approach using molecular genetics, multi-omics, statistical learning, bioinformatics, biochemistry, histology and physiology to study seeds from a wide range of species such as oilseed crops (e.g. camelina, cabbage), legumes (e.g. bean, lentil), cereals (e.g barley, maize) and vegetable crops (e.g. tomato and lettuce). Nonetheless, the majority of our fundamental research focuses on the genetic model Arabidopsis.","INSTITUTE":"INRAE","LAST_NAME":"Rajjou","FIRST_NAME":"Loic","ADDRESS":"Route de ST-Cyr, Versailles, Ile de France, 78026, France","EMAIL":"Loic.Rajjou@inrae.fr","PHONE":"+33 (0) 130833891"},

"STUDY":{"STUDY_TITLE":"Metabolic changes in seeds of malting barley produced under drought or elevated temperature","STUDY_TYPE":"Barley seed phenotyping and GC-MS based metabolomic analysis","STUDY_SUMMARY":"Plants of a “Hana-type” landrace (B1) were taller, flowered earlier and produced heavier, larger and more vigorous seeds that resisted ageing longer compared to a semi-dwarf breeding line (B2). Drought significantly reduced seed yield in both genotypes, and elevated temperature reduced seed size. Genotype B2 showed partial thermodormancy that was alleviated by drought and elevated temperature, in line with lower abundance of the TF ABI5, a key regulator of seed dormancy and vigour. Metabolite profiling revealed clear differences between the embryos of B1 and B2. Drought, but not elevated temperature, affected the metabolism of amino acids, organic acids, osmolytes and nitrogen assimilation, in the seeds of both genotypes.","INSTITUTE":"INRAE","LAST_NAME":"CLEMENT","FIRST_NAME":"Gilles","ADDRESS":"Route de ST-Cyr, Versailles, Ile de France, 78026, France","EMAIL":"gilles.clement@inrae.fr","PHONE":"+33 (0) 1 30 83 31 67","NUM_GROUPS":"6","TOTAL_SUBJECTS":"18"},

"SUBJECT":{"SUBJECT_TYPE":"Plant","SUBJECT_SPECIES":"Hordeum vulgare","TAXONOMY_ID":"4513"},
"SUBJECT_SAMPLE_FACTORS":[
{
"Subject ID":"Bar_01",
"Sample ID":"2110-DR-R1",
"Factors":{"Genotype":"HOR 2110  - B1","Culture_condition":"DROUGHT"},
"Additional sample data":{"RAW_FILE_NAME":"IJPB_15102112","replicate":"1"}
},
{
"Subject ID":"Bar_02",
"Sample ID":"2110-DR-R2",
"Factors":{"Genotype":"HOR 2110  - B1","Culture_condition":"DROUGHT"},
"Additional sample data":{"RAW_FILE_NAME":"IJPB_15102122","replicate":"2"}
},
{
"Subject ID":"Bar_03",
"Sample ID":"2110-DR-R3",
"Factors":{"Genotype":"HOR 2110  - B1","Culture_condition":"DROUGHT"},
"Additional sample data":{"RAW_FILE_NAME":"IJPB_15102117","replicate":"3"}
},
{
"Subject ID":"Bar_04",
"Sample ID":"2110-C-R1",
"Factors":{"Genotype":"HOR 2110  - B1","Culture_condition":"control temp_18/22°C"},
"Additional sample data":{"RAW_FILE_NAME":"IJPB_15102107","replicate":"1"}
},
{
"Subject ID":"Bar_05",
"Sample ID":"2110-C-R2",
"Factors":{"Genotype":"HOR 2110  - B1","Culture_condition":"control temp_18/22°C"},
"Additional sample data":{"RAW_FILE_NAME":"IJPB_15102119","replicate":"2"}
},
{
"Subject ID":"Bar_06",
"Sample ID":"2110-C-R3",
"Factors":{"Genotype":"HOR 2110  - B1","Culture_condition":"control temp_18/22°C"},
"Additional sample data":{"RAW_FILE_NAME":"IJPB_15102121","replicate":"3"}
},
{
"Subject ID":"Bar_07",
"Sample ID":"2110-ET-R1",
"Factors":{"Genotype":"HOR 2110  - B1","Culture_condition":"elevated temp_25/31°C"},
"Additional sample data":{"RAW_FILE_NAME":"IJPB_15102115","replicate":"1"}
},
{
"Subject ID":"Bar_08",
"Sample ID":"2110-ET-R2",
"Factors":{"Genotype":"HOR 2110  - B1","Culture_condition":"elevated temp_25/31°C"},
"Additional sample data":{"RAW_FILE_NAME":"IJPB_15102110","replicate":"2"}
},
{
"Subject ID":"Bar_09",
"Sample ID":"2110-ET-R3",
"Factors":{"Genotype":"HOR 2110  - B1","Culture_condition":"elevated temp_25/31°C"},
"Additional sample data":{"RAW_FILE_NAME":"IJPB_15102120","replicate":"3"}
},
{
"Subject ID":"Bar_10",
"Sample ID":"4710-DR-R1",
"Factors":{"Genotype":"HOR 4710  - B2","Culture_condition":"DROUGHT"},
"Additional sample data":{"RAW_FILE_NAME":"IJPB_15102114","replicate":"1"}
},
{
"Subject ID":"Bar_11",
"Sample ID":"4710-DR-R2",
"Factors":{"Genotype":"HOR 4710  - B2","Culture_condition":"DROUGHT"},
"Additional sample data":{"RAW_FILE_NAME":"IJPB_15102124","replicate":"2"}
},
{
"Subject ID":"Bar_12",
"Sample ID":"4710-DR-R3",
"Factors":{"Genotype":"HOR 4710  - B2","Culture_condition":"DROUGHT"},
"Additional sample data":{"RAW_FILE_NAME":"IJPB_15102109","replicate":"3"}
},
{
"Subject ID":"Bar_13",
"Sample ID":"4710-C-R1",
"Factors":{"Genotype":"HOR 4710  - B2","Culture_condition":"control temp_18/22°C"},
"Additional sample data":{"RAW_FILE_NAME":"IJPB_15102125","replicate":"1"}
},
{
"Subject ID":"Bar_14",
"Sample ID":"4710-C-R2",
"Factors":{"Genotype":"HOR 4710  - B2","Culture_condition":"control temp_18/22°C"},
"Additional sample data":{"RAW_FILE_NAME":"IJPB_15102118","replicate":"2"}
},
{
"Subject ID":"Bar_15",
"Sample ID":"4710-C-R3",
"Factors":{"Genotype":"HOR 4710  - B2","Culture_condition":"control temp_18/22°C"},
"Additional sample data":{"RAW_FILE_NAME":"IJPB_15102111","replicate":"3"}
},
{
"Subject ID":"Bar_16",
"Sample ID":"4710-ET-R1",
"Factors":{"Genotype":"HOR 4710  - B2","Culture_condition":"elevated temp_25/31°C"},
"Additional sample data":{"RAW_FILE_NAME":"IJPB_15102123","replicate":"1"}
},
{
"Subject ID":"Bar_17",
"Sample ID":"4710-ET-R2",
"Factors":{"Genotype":"HOR 4710  - B2","Culture_condition":"elevated temp_25/31°C"},
"Additional sample data":{"RAW_FILE_NAME":"IJPB_15102113","replicate":"2"}
},
{
"Subject ID":"Bar_18",
"Sample ID":"4710-ET-R3",
"Factors":{"Genotype":"HOR 4710  - B2","Culture_condition":"elevated temp_25/31°C"},
"Additional sample data":{"RAW_FILE_NAME":"IJPB_15102108","replicate":"3"}
}
],
"COLLECTION":{"COLLECTION_SUMMARY":"Isolated embryos from barley seeds were harvested and inserted in a previously weighed eppendorf tubes, frozen in liquid nitrogen and weighed fastly again. They were grinded by shaking with a metal ball.","SAMPLE_TYPE":"Seeds","STORAGE_CONDITIONS":"-80℃"},

"TREATMENT":{"TREATMENT_SUMMARY":"Two barley genotypes (Hordeum vulgare L.), the Austrian landrace HOR 2110 (termed “B1”) and the breeding line HOR 4710 (termed “B2”) were used. For each genotype, seedlings were grown in a greenhouse in pots (30 x 30 x 15 cm, 4 plants per pot) at a 23/15 °C day/night cycle until anthesis. After half of the spikes had flowered, plants were kept for another seven days under the same conditions, and then randomly selected and subjected either to control conditions (C, 22/18 °C and regular watering) or elevated temperature (ET, 28/25 °C and regular watering,) or drought (D, 22/18 °C and 15 % field capacity). After harvest, seeds were cleaned, dried at 20 °C and 20 % relative humidity (RH) for eight weeks (for after-ripening), and then stored at 18 °C."},

"SAMPLEPREP":{"SAMPLEPREP_SUMMARY":"For metabolite profiling, three biological replicates of 12 mg of barley embryos manually dissected from dry mature seeds were ground with mortar and pestle in liquid nitrogen and stored at -80 °C. All steps were performed in 2 ml Safelock Eppendorf tubes. The ground frozen samples (12 mg) were resuspended in 1 ml of frozen (-20°C) Water:Acetonitrile:Isopropanol (2:3:3 v/v/v/) containing Ribitol at 4 mg.L-1 and extracted for 10 min at 4°C with shaking at 1400 rpm in an Eppendorf Thermomixer. Insoluble material was removed by centrifugation at 20000g for 5 min. 25 µL were collected and dried for 150 min in a SpeedVac. Fiehn et al (the Plant Journal (2008) 53, 691-704).","PROCESSING_STORAGE_CONDITIONS":"-20℃","EXTRACT_STORAGE":"-80℃"},

"CHROMATOGRAPHY":{"CHROMATOGRAPHY_SUMMARY":"The instrument was an Agilent 7890A gas chromatograph coupled to an Agilent 5975C mass spectrometer. The column was an Rxi-5SilMS from Restek (30 m with 10 m integraguard column). The liner (Restek # 20994) was changed before each derivatization series. Oven temperature ramp was 70 °C for 7 min then 10 °C/min to 330 °C for 5 min (run length 38 min). Helium constant flow was 0.7 mL/min. Temperatures were the following: injector: 250°C, transfer line: 290°C, source: 250 °C and quadripole 150 °C. 5 scans per second were acquired spanning a 50 to 600 Da range. Instrument was tuned with PFTBA with the 69 m/z and 219 m/z of equal intensities. 5 scans per second were acquired. The split mode conditions were: 70°C for 2 min then 30°C per min to 330 °C for 5 min. Helium constant flow 1 mL/min.","CHROMATOGRAPHY_TYPE":"GC","INSTRUMENT_NAME":"Agilent 7890A","COLUMN_NAME":"Restek Rxi-5Sil MS (30m x 0.25mm,0.25µm) with 10m precolumn","FLOW_RATE":"0.7 ml/min","INJECTION_TEMPERATURE":"250°C"},

"ANALYSIS":{"ANALYSIS_TYPE":"MS","OPERATOR_NAME":"Gilles CLEMENT"},

"MS":{"INSTRUMENT_NAME":"Agilent 5975C","INSTRUMENT_TYPE":"Single quadrupole","MS_TYPE":"EI","ION_MODE":"POSITIVE","MS_COMMENTS":"Temperatures were the following: injector: 250°C, transfer line: 290°C, source: 250 °C and quadripole 150 °C. 5 scans per second were acquired spanning a 50 to 600 Da range. Instrument was tuned with PFTBA with the 69 m/z and 219 m/z of equal intensities. 5 scans per second were acquired. The split mode conditions were: 70°C for 2 min then 30°C per min to 330 °C for 5 min. Helium constant flow 1 mL/min. Data processing: Raw Agilent datafiles were converted in NetCDF format and analyzed with AMDIS http://chemdata.nist.gov/mass-spc/amdis/. An home retention indices/ mass spectra library built from the NIST, Golm , http://gmd.mpimp-golm.mpg.de/ and Fiehn databases and standard compounds was used for metabolites identification. Peak areas were also determined with the Targetlynx software (Waters) after conversion of the NetCDF file in masslynx format as well as TargetSearch. AMDIS, Target Lynx and TargetSearch in splitless and split 30 modes data were compiled in one single Excel File for comparison. After blank mean substraction peak areas were normalized to Ribitol and Fresh Weight. Statistical analysis was made with TMEV http://www.tm4.org/mev.html : univariate analysis by permutation (1way-anova and 2-way anova) were firstly used to select the significant metabolites (P-value < 0.01). Multivariate analysis (hierarchical clustering and principal component analysis) were then made on them. Absolute quantification: A response coefficient was determined for 4 ng each of a set of 103 métabolites, respectively to the same amount of ribitol. This factor was used to give an estimation of the absolute concentration of the metabolite in what we may call a “one point calibration”. Metabolites rich in nitrogen (basic aminoacids and polyamines) gave several analytes (up to 5 for glutamine and asparagine). The peak area as TIC equivalent of these analytes were summed to express the contents of these metabolites. They are referred to “sum” in the tables."},

"MS_METABOLITE_DATA":{
"Units":"nmoles/mg DW and arbitrary/mg DW",

"Data":[{"Metabolite":"2,4-Dihydroxybutanoic acid","2110-DR-R1":"0.002163031","2110-DR-R2":"0.001973074","2110-DR-R3":"0.002386835","2110-C-R1":"0.001763207","2110-C-R2":"0.000799236","2110-C-R3":"0.000540339","2110-ET-R1":"0.000937315","2110-ET-R2":"0.000742605","2110-ET-R3":"0.001030034","4710-DR-R1":"0.002064953","4710-DR-R2":"0.002263676","4710-DR-R3":"0.003106375","4710-C-R1":"0.000652635","4710-C-R2":"0.000579647","4710-C-R3":"0.000396397","4710-ET-R1":"0.00079774","4710-ET-R2":"0.000842445","4710-ET-R3":"0.000853337"},{"Metabolite":"2-Aminobutyric acid","2110-DR-R1":"0.000908405","2110-DR-R2":"0.001082254","2110-DR-R3":"0.001144271","2110-C-R1":"0.000755429","2110-C-R2":"0.000605921","2110-C-R3":"0.000556977","2110-ET-R1":"0.000729793","2110-ET-R2":"0.00065894","2110-ET-R3":"0.000742138","4710-DR-R1":"0.001482362","4710-DR-R2":"0.001132197","4710-DR-R3":"0.001414547","4710-C-R1":"0.000708019","4710-C-R2":"0.000709388","4710-C-R3":"0.000561119","4710-ET-R1":"0.000597907","4710-ET-R2":"0.000957239","4710-ET-R3":"0.000878796"},{"Metabolite":"3-Aminoisobutanoic acid","2110-DR-R1":"0.001989986","2110-DR-R2":"0.002326341","2110-DR-R3":"0.004101433","2110-C-R1":"0.008130659","2110-C-R2":"0.003761531","2110-C-R3":"0.005421507","2110-ET-R1":"0.000181397","2110-ET-R2":"4.52E-06","2110-ET-R3":"0.005617698","4710-DR-R1":"0.005017564","4710-DR-R2":"0.000431642","4710-DR-R3":"0.007769884","4710-C-R1":"0.002653273","4710-C-R2":"0.005169387","4710-C-R3":"4.52E-06","4710-ET-R1":"0.001645661","4710-ET-R2":"0.001087222","4710-ET-R3":"4.52E-06"},{"Metabolite":"3-indoleacetonitrile","2110-DR-R1":"0.00496662","2110-DR-R2":"0.005635759","2110-DR-R3":"0.007397131","2110-C-R1":"0.006708208","2110-C-R2":"0.00650611","2110-C-R3":"0.006283317","2110-ET-R1":"0.0066247","2110-ET-R2":"0.008210066","2110-ET-R3":"0.00834571","4710-DR-R1":"0.007499531","4710-DR-R2":"0.007016378","4710-DR-R3":"0.007212278","4710-C-R1":"0.00768415","4710-C-R2":"0.009805058","4710-C-R3":"0.007123666","4710-ET-R1":"0.007725408","4710-ET-R2":"0.010717089","4710-ET-R3":"0.008863118"},{"Metabolite":"Adenine","2110-DR-R1":"0.039482412","2110-DR-R2":"0.035861721","2110-DR-R3":"0.029730562","2110-C-R1":"0.140006933","2110-C-R2":"0.028240288","2110-C-R3":"0.039436289","2110-ET-R1":"0.027490275","2110-ET-R2":"0.033958481","2110-ET-R3":"0.035102725","4710-DR-R1":"0.057745828","4710-DR-R2":"0.039435234","4710-DR-R3":"0.068122088","4710-C-R1":"0.042482677","4710-C-R2":"0.049282511","4710-C-R3":"0.059751947","4710-ET-R1":"0.033391119","4710-ET-R2":"0.061430113","4710-ET-R3":"0.150838136"},{"Metabolite":"Agmatine","2110-DR-R1":"0.007125275","2110-DR-R2":"4.52E-06","2110-DR-R3":"0.039774241","2110-C-R1":"0.034308147","2110-C-R2":"0.043214011","2110-C-R3":"0.026744037","2110-ET-R1":"0.065133903","2110-ET-R2":"0.035524734","2110-ET-R3":"0.028402513","4710-DR-R1":"0.102429557","4710-DR-R2":"0.092626697","4710-DR-R3":"0.026446384","4710-C-R1":"0.018150641","4710-C-R2":"4.52E-06","4710-C-R3":"4.52E-06","4710-ET-R1":"4.52E-06","4710-ET-R2":"0.050143405","4710-ET-R3":"0.052952489"},{"Metabolite":"Alanine","2110-DR-R1":"2.503979517","2110-DR-R2":"2.478129209","2110-DR-R3":"2.782579375","2110-C-R1":"3.436016587","2110-C-R2":"3.114885282","2110-C-R3":"4.053433763","2110-ET-R1":"3.026656371","2110-ET-R2":"2.904210424","2110-ET-R3":"3.283635803","4710-DR-R1":"4.389808682","4710-DR-R2":"2.704650504","4710-DR-R3":"3.187782883","4710-C-R1":"3.105022034","4710-C-R2":"4.671021413","4710-C-R3":"4.700225855","4710-ET-R1":"3.291281593","4710-ET-R2":"3.71139606","4710-ET-R3":"2.926520389"},{"Metabolite":"Allantoin","2110-DR-R1":"0.302545554","2110-DR-R2":"0.341223849","2110-DR-R3":"0.397157461","2110-C-R1":"0.28140037","2110-C-R2":"0.279073941","2110-C-R3":"0.322487989","2110-ET-R1":"0.33073237","2110-ET-R2":"0.373278138","2110-ET-R3":"0.374565362","4710-DR-R1":"0.457151139","4710-DR-R2":"0.4877743","4710-DR-R3":"0.469688038","4710-C-R1":"0.355659124","4710-C-R2":"0.430570775","4710-C-R3":"0.421702034","4710-ET-R1":"0.397503399","4710-ET-R2":"0.488594931","4710-ET-R3":"0.392711033"},{"Metabolite":"alpha-Tocopherol","2110-DR-R1":"0.288045219","2110-DR-R2":"0.376772749","2110-DR-R3":"0.384092268","2110-C-R1":"0.420251917","2110-C-R2":"0.305766418","2110-C-R3":"0.421331242","2110-ET-R1":"0.348471234","2110-ET-R2":"0.309625913","2110-ET-R3":"0.339162503","4710-DR-R1":"0.461175041","4710-DR-R2":"0.418348932","4710-DR-R3":"0.442541742","4710-C-R1":"0.337127438","4710-C-R2":"0.465698708","4710-C-R3":"0.351710782","4710-ET-R1":"0.461242208","4710-ET-R2":"0.363439335","4710-ET-R3":"0.334355364"},{"Metabolite":"Aminoadipic acid","2110-DR-R1":"0.030403362","2110-DR-R2":"0.050352518","2110-DR-R3":"0.024138034","2110-C-R1":"0.01994679","2110-C-R2":"0.009238537","2110-C-R3":"0.019601742","2110-ET-R1":"0.016141896","2110-ET-R2":"0.015475149","2110-ET-R3":"0.020032775","4710-DR-R1":"0.120758638","4710-DR-R2":"0.055697829","4710-DR-R3":"0.048090544","4710-C-R1":"0.019895038","4710-C-R2":"0.019819025","4710-C-R3":"0.020547535","4710-ET-R1":"0.011951946","4710-ET-R2":"0.020505158","4710-ET-R3":"0.017904767"},{"Metabolite":"Arabinose","2110-DR-R1":"0.165542818","2110-DR-R2":"0.159797975","2110-DR-R3":"0.124448585","2110-C-R1":"0.12811657","2110-C-R2":"0.120537195","2110-C-R3":"0.118403089","2110-ET-R1":"0.123424039","2110-ET-R2":"0.108266123","2110-ET-R3":"0.101924295","4710-DR-R1":"0.105143167","4710-DR-R2":"0.132734281","4710-DR-R3":"0.11529773","4710-C-R1":"0.117286919","4710-C-R2":"0.103971472","4710-C-R3":"0.107020395","4710-ET-R1":"0.12603958","4710-ET-R2":"0.106416138","4710-ET-R3":"0.10795607"},{"Metabolite":"Arabitol","2110-DR-R1":"0.158521259","2110-DR-R2":"0.095683838","2110-DR-R3":"0.047332486","2110-C-R1":"0.099363097","2110-C-R2":"0.176401718","2110-C-R3":"0.183172842","2110-ET-R1":"0.050143427","2110-ET-R2":"0.15167223","2110-ET-R3":"0.082237471","4710-DR-R1":"0.117370534","4710-DR-R2":"0.25575616","4710-DR-R3":"0.172188581","4710-C-R1":"0.164649067","4710-C-R2":"0.41304937","4710-C-R3":"0.578130613","4710-ET-R1":"0.19462863","4710-ET-R2":"0.62621975","4710-ET-R3":"0.381197164"},{"Metabolite":"Arginine","2110-DR-R1":"1.401496462","2110-DR-R2":"1.555819582","2110-DR-R3":"1.552367977","2110-C-R1":"1.78980361","2110-C-R2":"1.445037135","2110-C-R3":"2.703698572","2110-ET-R1":"1.198395378","2110-ET-R2":"1.436619871","2110-ET-R3":"1.543398046","4710-DR-R1":"5.105194745","4710-DR-R2":"5.793514803","4710-DR-R3":"5.13711578","4710-C-R1":"1.325494105","4710-C-R2":"4.864602026","4710-C-R3":"4.419952531","4710-ET-R1":"2.25672192","4710-ET-R2":"3.508172795","4710-ET-R3":"2.764534142"},{"Metabolite":"Asparagine","2110-DR-R1":"21.16680243","2110-DR-R2":"22.62891164","2110-DR-R3":"24.91556327","2110-C-R1":"22.50392762","2110-C-R2":"16.41233043","2110-C-R3":"26.44016453","2110-ET-R1":"17.1083856","2110-ET-R2":"20.58188685","2110-ET-R3":"23.81504678","4710-DR-R1":"49.40874597","4710-DR-R2":"43.178753","4710-DR-R3":"45.58361628","4710-C-R1":"19.92487665","4710-C-R2":"34.92581636","4710-C-R3":"34.24406921","4710-ET-R1":"26.86104052","4710-ET-R2":"32.0865625","4710-ET-R3":"26.92464919"},{"Metabolite":"Aspartic acid","2110-DR-R1":"1.704730519","2110-DR-R2":"1.905276038","2110-DR-R3":"1.968114904","2110-C-R1":"2.158292554","2110-C-R2":"1.634610957","2110-C-R3":"1.410506231","2110-ET-R1":"2.199804123","2110-ET-R2":"1.899841685","2110-ET-R3":"1.794368944","4710-DR-R1":"2.140543429","4710-DR-R2":"1.890897279","4710-DR-R3":"1.546708875","4710-C-R1":"1.580131126","4710-C-R2":"2.017364169","4710-C-R3":"1.151393843","4710-ET-R1":"2.232908966","4710-ET-R2":"1.675645635","4710-ET-R3":"1.458366601"},{"Metabolite":"beta-Alanine","2110-DR-R1":"0.062426744","2110-DR-R2":"0.044653898","2110-DR-R3":"0.049087209","2110-C-R1":"0.036770937","2110-C-R2":"0.043972403","2110-C-R3":"0.031254878","2110-ET-R1":"0.035747054","2110-ET-R2":"0.050599566","2110-ET-R3":"0.065385018","4710-DR-R1":"0.13411544","4710-DR-R2":"0.063481504","4710-DR-R3":"0.077023366","4710-C-R1":"0.060001356","4710-C-R2":"0.074988532","4710-C-R3":"0.058729854","4710-ET-R1":"0.068251347","4710-ET-R2":"0.074940066","4710-ET-R3":"0.052633805"},{"Metabolite":"Campesterol","2110-DR-R1":"0.716140616","2110-DR-R2":"0.975502804","2110-DR-R3":"1.088566836","2110-C-R1":"1.25927928","2110-C-R2":"0.924478216","2110-C-R3":"1.17666346","2110-ET-R1":"0.997738436","2110-ET-R2":"0.85340281","2110-ET-R3":"0.901980147","4710-DR-R1":"0.826451314","4710-DR-R2":"0.838054111","4710-DR-R3":"0.820111187","4710-C-R1":"0.750164767","4710-C-R2":"0.927794574","4710-C-R3":"0.791832976","4710-ET-R1":"0.89753802","4710-ET-R2":"0.712636934","4710-ET-R3":"0.720448138"},{"Metabolite":"Catechin","2110-DR-R1":"0.002136206","2110-DR-R2":"0.002832293","2110-DR-R3":"4.52E-06","2110-C-R1":"4.52E-06","2110-C-R2":"0.00127205","2110-C-R3":"0.001349957","2110-ET-R1":"0.001097326","2110-ET-R2":"4.52E-06","2110-ET-R3":"4.52E-06","4710-DR-R1":"0.003176212","4710-DR-R2":"0.00180716","4710-DR-R3":"0.001442326","4710-C-R1":"4.52E-06","4710-C-R2":"0.001433006","4710-C-R3":"0.002038622","4710-ET-R1":"0.000743952","4710-ET-R2":"0.001271281","4710-ET-R3":"0.000600662"},{"Metabolite":"Citric acid","2110-DR-R1":"4.167778039","2110-DR-R2":"6.370229625","2110-DR-R3":"5.768773738","2110-C-R1":"8.917531427","2110-C-R2":"5.251534524","2110-C-R3":"7.771907841","2110-ET-R1":"7.702482045","2110-ET-R2":"5.899777618","2110-ET-R3":"7.316780582","4710-DR-R1":"6.094110358","4710-DR-R2":"8.587969889","4710-DR-R3":"5.945875347","4710-C-R1":"5.164839736","4710-C-R2":"8.796631465","4710-C-R3":"6.808615248","4710-ET-R1":"7.35897255","4710-ET-R2":"6.650479498","4710-ET-R3":"5.990908145"},{"Metabolite":"Cysteine","2110-DR-R1":"1.386511679","2110-DR-R2":"1.251523098","2110-DR-R3":"0.987950377","2110-C-R1":"0.845063813","2110-C-R2":"0.671192177","2110-C-R3":"1.024587975","2110-ET-R1":"0.771257324","2110-ET-R2":"0.89028806","2110-ET-R3":"0.911204244","4710-DR-R1":"1.645654579","4710-DR-R2":"1.179328763","4710-DR-R3":"1.22764835","4710-C-R1":"0.759914094","4710-C-R2":"0.895104798","4710-C-R3":"0.96097233","4710-ET-R1":"0.739753857","4710-ET-R2":"0.740278966","4710-ET-R3":"0.774802668"},{"Metabolite":"D-Malic acid","2110-DR-R1":"5.355444675","2110-DR-R2":"8.239050264","2110-DR-R3":"5.089691557","2110-C-R1":"5.010728125","2110-C-R2":"3.496320846","2110-C-R3":"4.016035056","2110-ET-R1":"4.317889453","2110-ET-R2":"4.459651839","2110-ET-R3":"3.827379599","4710-DR-R1":"10.86107734","4710-DR-R2":"9.020237294","4710-DR-R3":"7.756639697","4710-C-R1":"4.052319806","4710-C-R2":"4.325457305","4710-C-R3":"4.551510517","4710-ET-R1":"5.693209733","4710-ET-R2":"4.295417989","4710-ET-R3":"4.562364838"},{"Metabolite":"Erythritol","2110-DR-R1":"0.087156547","2110-DR-R2":"0.043008804","2110-DR-R3":"0.046512457","2110-C-R1":"0.072510349","2110-C-R2":"0.073491536","2110-C-R3":"0.069813891","2110-ET-R1":"0.050878558","2110-ET-R2":"0.138717642","2110-ET-R3":"0.029820826","4710-DR-R1":"0.088025646","4710-DR-R2":"0.162401374","4710-DR-R3":"0.055795599","4710-C-R1":"0.084314825","4710-C-R2":"0.247490386","4710-C-R3":"0.287325026","4710-ET-R1":"0.116041507","4710-ET-R2":"0.212962758","4710-ET-R3":"0.183044334"},{"Metabolite":"Erythronic acid","2110-DR-R1":"0.003746961","2110-DR-R2":"0.004527781","2110-DR-R3":"0.004063311","2110-C-R1":"0.003337225","2110-C-R2":"0.002597067","2110-C-R3":"0.00466826","2110-ET-R1":"0.002570993","2110-ET-R2":"0.003119833","2110-ET-R3":"0.003737885","4710-DR-R1":"0.004142554","4710-DR-R2":"0.003354863","4710-DR-R3":"0.003018526","4710-C-R1":"0.001514264","4710-C-R2":"0.001164268","4710-C-R3":"0.001567069","4710-ET-R1":"0.001672575","4710-ET-R2":"0.001578869","4710-ET-R3":"0.001807073"},{"Metabolite":"Ethanolamine","2110-DR-R1":"0.269855122","2110-DR-R2":"0.272160014","2110-DR-R3":"0.528489323","2110-C-R1":"0.279076276","2110-C-R2":"0.376857816","2110-C-R3":"0.306851279","2110-ET-R1":"0.453313898","2110-ET-R2":"0.340471781","2110-ET-R3":"0.502242744","4710-DR-R1":"0.404314836","4710-DR-R2":"0.453528074","4710-DR-R3":"0.286587754","4710-C-R1":"0.509273966","4710-C-R2":"0.470088271","4710-C-R3":"0.273768553","4710-ET-R1":"0.267089148","4710-ET-R2":"0.377696524","4710-ET-R3":"0.303176286"},{"Metabolite":"Fructose","2110-DR-R1":"0.789126496","2110-DR-R2":"1.013311652","2110-DR-R3":"0.55565176","2110-C-R1":"0.544136777","2110-C-R2":"0.546977057","2110-C-R3":"0.728544323","2110-ET-R1":"0.496056045","2110-ET-R2":"0.413778121","2110-ET-R3":"0.519646858","4710-DR-R1":"0.811257544","4710-DR-R2":"0.636274614","4710-DR-R3":"0.875018648","4710-C-R1":"0.411010013","4710-C-R2":"0.574306693","4710-C-R3":"0.726839517","4710-ET-R1":"0.490790664","4710-ET-R2":"0.588656447","4710-ET-R3":"0.5299003"},{"Metabolite":"Fumaric acid","2110-DR-R1":"0.151430917","2110-DR-R2":"0.233972922","2110-DR-R3":"0.200881944","2110-C-R1":"0.111627299","2110-C-R2":"0.063543759","2110-C-R3":"0.06890337","2110-ET-R1":"0.08498132","2110-ET-R2":"0.197572614","2110-ET-R3":"0.078229508","4710-DR-R1":"0.264703956","4710-DR-R2":"0.20895674","4710-DR-R3":"0.221146445","4710-C-R1":"0.069102323","4710-C-R2":"0.089916909","4710-C-R3":"0.087123012","4710-ET-R1":"0.082088291","4710-ET-R2":"0.103128609","4710-ET-R3":"0.161622755"},{"Metabolite":"Galactinol","2110-DR-R1":"6.754558406","2110-DR-R2":"11.79392598","2110-DR-R3":"10.88596914","2110-C-R1":"8.062693281","2110-C-R2":"7.987484052","2110-C-R3":"11.20711292","2110-ET-R1":"11.72024641","2110-ET-R2":"8.610415823","2110-ET-R3":"14.24262734","4710-DR-R1":"7.566642913","4710-DR-R2":"9.508484323","4710-DR-R3":"7.055264683","4710-C-R1":"9.454691231","4710-C-R2":"8.938971957","4710-C-R3":"4.742182928","4710-ET-R1":"13.97740883","4710-ET-R2":"8.057228913","4710-ET-R3":"7.118664578"},{"Metabolite":"Galactonic acid","2110-DR-R1":"0.119757634","2110-DR-R2":"0.117628178","2110-DR-R3":"0.154386276","2110-C-R1":"0.260516987","2110-C-R2":"0.174066399","2110-C-R3":"0.352376503","2110-ET-R1":"0.208307839","2110-ET-R2":"0.281560194","2110-ET-R3":"0.310147654","4710-DR-R1":"0.29371552","4710-DR-R2":"0.212557346","4710-DR-R3":"0.24160658","4710-C-R1":"0.207614061","4710-C-R2":"0.357598656","4710-C-R3":"0.566316242","4710-ET-R1":"0.303210551","4710-ET-R2":"0.202677848","4710-ET-R3":"0.286753115"},{"Metabolite":"Galactose","2110-DR-R1":"0.468094751","2110-DR-R2":"0.545196962","2110-DR-R3":"0.29136594","2110-C-R1":"0.44424999","2110-C-R2":"0.410068706","2110-C-R3":"0.499829685","2110-ET-R1":"0.46694299","2110-ET-R2":"0.335640532","2110-ET-R3":"0.374544698","4710-DR-R1":"0.563576707","4710-DR-R2":"0.624128444","4710-DR-R3":"0.445140628","4710-C-R1":"0.507164408","4710-C-R2":"0.640269696","4710-C-R3":"0.784412736","4710-ET-R1":"0.505593743","4710-ET-R2":"0.574899364","4710-ET-R3":"1.092852854"},{"Metabolite":"Galactosylglycerol","2110-DR-R1":"1.256958463","2110-DR-R2":"1.426610993","2110-DR-R3":"1.75730956","2110-C-R1":"2.342048349","2110-C-R2":"1.47103579","2110-C-R3":"1.806127279","2110-ET-R1":"1.859862573","2110-ET-R2":"1.609731806","2110-ET-R3":"1.656564857","4710-DR-R1":"1.782532612","4710-DR-R2":"1.886463905","4710-DR-R3":"1.965027013","4710-C-R1":"1.752283472","4710-C-R2":"2.21542974","4710-C-R3":"1.780006147","4710-ET-R1":"2.086726531","4710-ET-R2":"1.930757561","4710-ET-R3":"1.855838754"},{"Metabolite":"gamma-Aminobutyric acid","2110-DR-R1":"0.270160204","2110-DR-R2":"0.32275306","2110-DR-R3":"0.248720376","2110-C-R1":"0.230625207","2110-C-R2":"0.224027021","2110-C-R3":"0.324093169","2110-ET-R1":"0.205190769","2110-ET-R2":"0.238042318","2110-ET-R3":"0.256972693","4710-DR-R1":"0.579455358","4710-DR-R2":"0.363499319","4710-DR-R3":"0.390955767","4710-C-R1":"0.17653957","4710-C-R2":"0.464086041","4710-C-R3":"0.692700539","4710-ET-R1":"0.183136743","4710-ET-R2":"0.284455137","4710-ET-R3":"0.3277429"},{"Metabolite":"gamma-Tocopherol","2110-DR-R1":"0.029474243","2110-DR-R2":"0.039168782","2110-DR-R3":"0.048160959","2110-C-R1":"0.070036497","2110-C-R2":"0.048379996","2110-C-R3":"0.074012039","2110-ET-R1":"0.05014161","2110-ET-R2":"0.044187447","2110-ET-R3":"0.051536492","4710-DR-R1":"0.034536403","4710-DR-R2":"0.039666093","4710-DR-R3":"0.023174203","4710-C-R1":"0.055270062","4710-C-R2":"0.060237211","4710-C-R3":"0.043109287","4710-ET-R1":"0.05665728","4710-ET-R2":"0.039726781","4710-ET-R3":"0.042578148"},{"Metabolite":"Gluconic acid","2110-DR-R1":"0.531539511","2110-DR-R2":"0.556659428","2110-DR-R3":"0.733675828","2110-C-R1":"1.144624798","2110-C-R2":"0.798454963","2110-C-R3":"1.592558134","2110-ET-R1":"0.952197372","2110-ET-R2":"1.293838065","2110-ET-R3":"1.409599535","4710-DR-R1":"1.31075099","4710-DR-R2":"1.009254906","4710-DR-R3":"1.1314416","4710-C-R1":"0.952493162","4710-C-R2":"1.625590088","4710-C-R3":"2.558910922","4710-ET-R1":"1.334473403","4710-ET-R2":"0.896514598","4710-ET-R3":"1.2787453"},{"Metabolite":"Glucose","2110-DR-R1":"1.693177854","2110-DR-R2":"1.952067466","2110-DR-R3":"1.234964971","2110-C-R1":"1.294227645","2110-C-R2":"1.175901223","2110-C-R3":"1.439727568","2110-ET-R1":"1.150139583","2110-ET-R2":"0.899206255","2110-ET-R3":"1.052872784","4710-DR-R1":"1.303657695","4710-DR-R2":"1.421457472","4710-DR-R3":"1.365537978","4710-C-R1":"0.865780163","4710-C-R2":"1.280691281","4710-C-R3":"1.431680325","4710-ET-R1":"1.113560959","4710-ET-R2":"1.183129047","4710-ET-R3":"1.396171572"},{"Metabolite":"Glucose 6-phosphate","2110-DR-R1":"4.52E-06","2110-DR-R2":"4.52E-06","2110-DR-R3":"4.52E-06","2110-C-R1":"4.52E-06","2110-C-R2":"4.52E-06","2110-C-R3":"4.52E-06","2110-ET-R1":"4.52E-06","2110-ET-R2":"4.52E-06","2110-ET-R3":"0.075645045","4710-DR-R1":"0.121455333","4710-DR-R2":"0.158517787","4710-DR-R3":"4.52E-06","4710-C-R1":"4.52E-06","4710-C-R2":"4.52E-06","4710-C-R3":"0.081372916","4710-ET-R1":"0.124525143","4710-ET-R2":"0.153690105","4710-ET-R3":"0.28987972"},{"Metabolite":"Glutamic acid","2110-DR-R1":"4.420151432","2110-DR-R2":"4.946581096","2110-DR-R3":"5.592516372","2110-C-R1":"7.095139787","2110-C-R2":"5.16329427","2110-C-R3":"6.033258377","2110-ET-R1":"4.854812388","2110-ET-R2":"4.760134125","2110-ET-R3":"5.177068383","4710-DR-R1":"8.056206248","4710-DR-R2":"7.658046167","4710-DR-R3":"8.477579597","4710-C-R1":"5.592658681","4710-C-R2":"9.435380428","4710-C-R3":"7.797565259","4710-ET-R1":"6.286624568","4710-ET-R2":"7.273285774","4710-ET-R3":"6.718310862"},{"Metabolite":"Glutamine","2110-DR-R1":"2.885378274","2110-DR-R2":"3.432277889","2110-DR-R3":"1.933267545","2110-C-R1":"0.846465716","2110-C-R2":"1.1661857","2110-C-R3":"1.449056392","2110-ET-R1":"0.75152406","2110-ET-R2":"1.186598612","2110-ET-R3":"1.003580035","4710-DR-R1":"5.842629022","4710-DR-R2":"4.209300689","4710-DR-R3":"5.152629863","4710-C-R1":"1.357580205","4710-C-R2":"3.662394271","4710-C-R3":"4.729647435","4710-ET-R1":"1.19206503","4710-ET-R2":"2.818075819","4710-ET-R3":"1.921206614"},{"Metabolite":"Glyceric acid","2110-DR-R1":"0.042378104","2110-DR-R2":"0.059841082","2110-DR-R3":"0.04670907","2110-C-R1":"0.026957125","2110-C-R2":"0.025508432","2110-C-R3":"0.037626852","2110-ET-R1":"0.025428024","2110-ET-R2":"0.03885179","2110-ET-R3":"0.042459344","4710-DR-R1":"0.075115417","4710-DR-R2":"0.06216092","4710-DR-R3":"0.06370821","4710-C-R1":"0.020508383","4710-C-R2":"0.023166636","4710-C-R3":"0.037127771","4710-ET-R1":"0.024189775","4710-ET-R2":"0.02319148","4710-ET-R3":"0.029007377"},{"Metabolite":"Glycine","2110-DR-R1":"0.391302983","2110-DR-R2":"0.418475702","2110-DR-R3":"0.4672779","2110-C-R1":"0.659026039","2110-C-R2":"0.445122881","2110-C-R3":"0.647395933","2110-ET-R1":"0.484475902","2110-ET-R2":"0.508378867","2110-ET-R3":"0.597937889","4710-DR-R1":"0.764987265","4710-DR-R2":"0.5489617","4710-DR-R3":"0.516401304","4710-C-R1":"0.517800481","4710-C-R2":"0.639138376","4710-C-R3":"0.631722837","4710-ET-R1":"0.609373039","4710-ET-R2":"0.541837996","4710-ET-R3":"0.506555363"},{"Metabolite":"Glycolic acid","2110-DR-R1":"0.037120026","2110-DR-R2":"0.054513372","2110-DR-R3":"0.037678732","2110-C-R1":"0.09209789","2110-C-R2":"0.03822787","2110-C-R3":"0.069899948","2110-ET-R1":"0.055144637","2110-ET-R2":"0.054269574","2110-ET-R3":"0.043315836","4710-DR-R1":"0.0998327","4710-DR-R2":"0.07988179","4710-DR-R3":"0.12055288","4710-C-R1":"0.049341607","4710-C-R2":"0.070987686","4710-C-R3":"0.078045399","4710-ET-R1":"0.079404404","4710-ET-R2":"0.05949262","4710-ET-R3":"0.055904776"},{"Metabolite":"Histidine","2110-DR-R1":"0.597247652","2110-DR-R2":"0.744912656","2110-DR-R3":"0.590358967","2110-C-R1":"0.352297632","2110-C-R2":"0.370853075","2110-C-R3":"1.178178656","2110-ET-R1":"0.28421422","2110-ET-R2":"0.492105327","2110-ET-R3":"0.481909123","4710-DR-R1":"2.273462504","4710-DR-R2":"2.054487893","4710-DR-R3":"1.549176038","4710-C-R1":"0.551701907","4710-C-R2":"2.449160746","4710-C-R3":"1.691480097","4710-ET-R1":"0.468550968","4710-ET-R2":"0.848258942","4710-ET-R3":"0.509437426"},{"Metabolite":"Homoserine","2110-DR-R1":"0.017714498","2110-DR-R2":"0.017130332","2110-DR-R3":"0.019186669","2110-C-R1":"0.005860778","2110-C-R2":"0.009413564","2110-C-R3":"0.022400499","2110-ET-R1":"0.00541349","2110-ET-R2":"0.014503725","2110-ET-R3":"0.018442805","4710-DR-R1":"0.057771827","4710-DR-R2":"0.039360143","4710-DR-R3":"0.052258845","4710-C-R1":"0.005102892","4710-C-R2":"0.019281915","4710-C-R3":"0.036043742","4710-ET-R1":"0.006579054","4710-ET-R2":"0.043220392","4710-ET-R3":"0.016630958"},{"Metabolite":"Inositol-Phosphate","2110-DR-R1":"0.007708489","2110-DR-R2":"0.009323369","2110-DR-R3":"0.012225455","2110-C-R1":"0.012777145","2110-C-R2":"0.007435893","2110-C-R3":"0.012437076","2110-ET-R1":"0.008731336","2110-ET-R2":"0.007631362","2110-ET-R3":"0.009056576","4710-DR-R1":"0.016208611","4710-DR-R2":"0.020266434","4710-DR-R3":"0.017688952","4710-C-R1":"0.009493447","4710-C-R2":"0.014940323","4710-C-R3":"0.014853207","4710-ET-R1":"0.012281632","4710-ET-R2":"0.010151741","4710-ET-R3":"0.011414346"},{"Metabolite":"Isoleucine","2110-DR-R1":"0.282496323","2110-DR-R2":"0.34318133","2110-DR-R3":"0.299222063","2110-C-R1":"0.186768446","2110-C-R2":"0.179044654","2110-C-R3":"0.197614541","2110-ET-R1":"0.170460507","2110-ET-R2":"0.222034149","2110-ET-R3":"0.167622527","4710-DR-R1":"0.560288101","4710-DR-R2":"0.320863616","4710-DR-R3":"0.354582294","4710-C-R1":"0.177955846","4710-C-R2":"0.220082489","4710-C-R3":"0.220564603","4710-ET-R1":"0.183365895","4710-ET-R2":"0.242681331","4710-ET-R3":"0.256758649"},{"Metabolite":"Isothiocyanoethylphosphate","2110-DR-R1":"0.002199248","2110-DR-R2":"0.001273715","2110-DR-R3":"0.003503167","2110-C-R1":"0.002264574","2110-C-R2":"0.002162064","2110-C-R3":"0.001337322","2110-ET-R1":"0.003276189","2110-ET-R2":"0.002292455","2110-ET-R3":"0.002272557","4710-DR-R1":"0.00159453","4710-DR-R2":"0.002345459","4710-DR-R3":"0.002102799","4710-C-R1":"0.002767415","4710-C-R2":"0.002240923","4710-C-R3":"0.002082044","4710-ET-R1":"0.001061023","4710-ET-R2":"0.002277421","4710-ET-R3":"0.001392033"},{"Metabolite":"L-Dehydroascorbic acid","2110-DR-R1":"4.52E-06","2110-DR-R2":"6.09405E-05","2110-DR-R3":"7.76202E-05","2110-C-R1":"0.00020018","2110-C-R2":"1.52615E-05","2110-C-R3":"7.0568E-05","2110-ET-R1":"0.000134859","2110-ET-R2":"5.2585E-05","2110-ET-R3":"6.85341E-05","4710-DR-R1":"3.32048E-05","4710-DR-R2":"6.70112E-05","4710-DR-R3":"6.19895E-05","4710-C-R1":"2.81028E-05","4710-C-R2":"3.17855E-05","4710-C-R3":"4.40968E-05","4710-ET-R1":"4.52E-06","4710-ET-R2":"7.59062E-06","4710-ET-R3":"4.52E-06"},{"Metabolite":"Leucine","2110-DR-R1":"0.280574942","2110-DR-R2":"0.334227487","2110-DR-R3":"0.275923498","2110-C-R1":"0.182675919","2110-C-R2":"0.172565608","2110-C-R3":"0.174485887","2110-ET-R1":"0.168859425","2110-ET-R2":"0.251391742","2110-ET-R3":"0.157706293","4710-DR-R1":"0.44770579","4710-DR-R2":"0.225037125","4710-DR-R3":"0.236297844","4710-C-R1":"0.175388304","4710-C-R2":"0.188046149","4710-C-R3":"0.157996172","4710-ET-R1":"0.168094846","4710-ET-R2":"0.170421336","4710-ET-R3":"0.1751583"},{"Metabolite":"Linoleic acid","2110-DR-R1":"0.03553385","2110-DR-R2":"0.046398155","2110-DR-R3":"0.04247529","2110-C-R1":"0.067605407","2110-C-R2":"0.039038553","2110-C-R3":"0.043455051","2110-ET-R1":"0.041293215","2110-ET-R2":"0.036699496","2110-ET-R3":"0.040393067","4710-DR-R1":"0.036527583","4710-DR-R2":"0.02991451","4710-DR-R3":"0.039252682","4710-C-R1":"0.034491456","4710-C-R2":"0.045605677","4710-C-R3":"0.033443697","4710-ET-R1":"0.039681066","4710-ET-R2":"0.091760194","4710-ET-R3":"0.043370829"},{"Metabolite":"Lysine","2110-DR-R1":"0.112485876","2110-DR-R2":"0.187476202","2110-DR-R3":"0.173754755","2110-C-R1":"0.129115787","2110-C-R2":"0.109879209","2110-C-R3":"0.221485922","2110-ET-R1":"0.125022274","2110-ET-R2":"0.160887066","2110-ET-R3":"0.178581522","4710-DR-R1":"0.481076851","4710-DR-R2":"0.469925391","4710-DR-R3":"0.331042158","4710-C-R1":"0.131325259","4710-C-R2":"0.326875402","4710-C-R3":"0.248667301","4710-ET-R1":"0.168660292","4710-ET-R2":"0.211341329","4710-ET-R3":"0.151522335"},{"Metabolite":"Malonic acid","2110-DR-R1":"0.124441614","2110-DR-R2":"0.124301275","2110-DR-R3":"0.09590582","2110-C-R1":"0.083227629","2110-C-R2":"0.053201267","2110-C-R3":"0.106456476","2110-ET-R1":"0.070421685","2110-ET-R2":"0.113512257","2110-ET-R3":"0.111994583","4710-DR-R1":"0.125482817","4710-DR-R2":"0.100401725","4710-DR-R3":"0.133316412","4710-C-R1":"0.069480579","4710-C-R2":"0.074190925","4710-C-R3":"0.086966448","4710-ET-R1":"0.079571554","4710-ET-R2":"0.081160028","4710-ET-R3":"0.066886446"},{"Metabolite":"Maltose","2110-DR-R1":"1.014449887","2110-DR-R2":"1.706429415","2110-DR-R3":"0.059761923","2110-C-R1":"0.144592672","2110-C-R2":"0.656738415","2110-C-R3":"0.306676014","2110-ET-R1":"0.211530002","2110-ET-R2":"0.294179974","2110-ET-R3":"0.184713245","4710-DR-R1":"0.855192395","4710-DR-R2":"0.470509889","4710-DR-R3":"0.29148985","4710-C-R1":"0.581895816","4710-C-R2":"0.340774881","4710-C-R3":"0.511190047","4710-ET-R1":"0.510026102","4710-ET-R2":"0.501156995","4710-ET-R3":"1.112269754"},{"Metabolite":"Mannitol","2110-DR-R1":"0.068409526","2110-DR-R2":"0.128770926","2110-DR-R3":"0.02953216","2110-C-R1":"0.090407736","2110-C-R2":"0.179397658","2110-C-R3":"0.18121601","2110-ET-R1":"0.047712722","2110-ET-R2":"0.179132783","2110-ET-R3":"0.059864647","4710-DR-R1":"0.124621425","4710-DR-R2":"0.161710619","4710-DR-R3":"0.134187707","4710-C-R1":"0.116611748","4710-C-R2":"0.42207146","4710-C-R3":"0.375422376","4710-ET-R1":"0.144891633","4710-ET-R2":"0.313600159","4710-ET-R3":"0.289101677"},{"Metabolite":"Mannose","2110-DR-R1":"0.279369534","2110-DR-R2":"0.352260908","2110-DR-R3":"0.411870866","2110-C-R1":"0.341329308","2110-C-R2":"0.344808116","2110-C-R3":"0.357312816","2110-ET-R1":"0.331746412","2110-ET-R2":"0.388384861","2110-ET-R3":"0.41978768","4710-DR-R1":"0.478638352","4710-DR-R2":"0.450049453","4710-DR-R3":"0.473974861","4710-C-R1":"0.385039669","4710-C-R2":"0.507599558","4710-C-R3":"0.434033226","4710-ET-R1":"0.447274349","4710-ET-R2":"0.587048359","4710-ET-R3":"0.456780459"},{"Metabolite":"Methanolphosphate","2110-DR-R1":"0.000801124","2110-DR-R2":"0.000426655","2110-DR-R3":"0.001348013","2110-C-R1":"0.000946097","2110-C-R2":"0.000482705","2110-C-R3":"0.000701056","2110-ET-R1":"0.001105649","2110-ET-R2":"0.000800353","2110-ET-R3":"0.000604759","4710-DR-R1":"0.000701337","4710-DR-R2":"0.00073327","4710-DR-R3":"0.000948499","4710-C-R1":"0.000813555","4710-C-R2":"0.000665848","4710-C-R3":"0.000956622","4710-ET-R1":"0.000489757","4710-ET-R2":"0.000851329","4710-ET-R3":"0.000778735"},{"Metabolite":"Methionine","2110-DR-R1":"0.039641826","2110-DR-R2":"0.046585405","2110-DR-R3":"0.042921773","2110-C-R1":"0.009538908","2110-C-R2":"0.020466283","2110-C-R3":"0.038455537","2110-ET-R1":"4.52E-06","2110-ET-R2":"0.010247747","2110-ET-R3":"0.024870879","4710-DR-R1":"0.127593143","4710-DR-R2":"0.049019887","4710-DR-R3":"0.046206331","4710-C-R1":"0.009039098","4710-C-R2":"0.03383022","4710-C-R3":"0.030306434","4710-ET-R1":"0.011110105","4710-ET-R2":"0.062651661","4710-ET-R3":"0.014047732"},{"Metabolite":"MG 16:0","2110-DR-R1":"0.017530555","2110-DR-R2":"0.019212647","2110-DR-R3":"0.018070618","2110-C-R1":"0.020048588","2110-C-R2":"0.023876636","2110-C-R3":"0.018662244","2110-ET-R1":"0.018385029","2110-ET-R2":"0.032171151","2110-ET-R3":"0.017810602","4710-DR-R1":"0.011134384","4710-DR-R2":"0.006970235","4710-DR-R3":"0.006998944","4710-C-R1":"0.017511608","4710-C-R2":"0.017347181","4710-C-R3":"0.007484035","4710-ET-R1":"0.009214421","4710-ET-R2":"0.017727449","4710-ET-R3":"0.008387723"},{"Metabolite":"MG 18:0","2110-DR-R1":"0.016356824","2110-DR-R2":"0.019024664","2110-DR-R3":"0.018746793","2110-C-R1":"0.017796957","2110-C-R2":"0.021019182","2110-C-R3":"0.01792995","2110-ET-R1":"0.019629391","2110-ET-R2":"0.021039918","2110-ET-R3":"0.018442715","4710-DR-R1":"0.000530729","4710-DR-R2":"0.000707134","4710-DR-R3":"4.52E-06","4710-C-R1":"0.018940342","4710-C-R2":"0.016981592","4710-C-R3":"0.000504497","4710-ET-R1":"0.000553687","4710-ET-R2":"0.003835936","4710-ET-R3":"0.000319983"},{"Metabolite":"MG 18:2","2110-DR-R1":"0.001582023","2110-DR-R2":"0.001827655","2110-DR-R3":"0.000683296","2110-C-R1":"0.000978574","2110-C-R2":"0.00145189","2110-C-R3":"0.000845013","2110-ET-R1":"0.000688072","2110-ET-R2":"0.001279738","2110-ET-R3":"0.000541422","4710-DR-R1":"0.001041336","4710-DR-R2":"4.52E-06","4710-DR-R3":"0.001156508","4710-C-R1":"0.000764173","4710-C-R2":"0.000864871","4710-C-R3":"0.00124642","4710-ET-R1":"0.00079663","4710-ET-R2":"0.0026917","4710-ET-R3":"0.001895427"},{"Metabolite":"Myo-inositol","2110-DR-R1":"2.463614696","2110-DR-R2":"3.286003217","2110-DR-R3":"3.031574146","2110-C-R1":"3.450639779","2110-C-R2":"3.127943446","2110-C-R3":"4.105819096","2110-ET-R1":"3.577065809","2110-ET-R2":"2.753342131","2110-ET-R3":"3.803097825","4710-DR-R1":"2.375420147","4710-DR-R2":"2.213802337","4710-DR-R3":"2.153102783","4710-C-R1":"2.669228186","4710-C-R2":"2.856943201","4710-C-R3":"2.503033638","4710-ET-R1":"2.160891334","4710-ET-R2":"2.376862345","4710-ET-R3":"2.063550377"},{"Metabolite":"Nicotinic acid","2110-DR-R1":"0.005544781","2110-DR-R2":"0.004955118","2110-DR-R3":"0.005721638","2110-C-R1":"0.005172668","2110-C-R2":"0.006835047","2110-C-R3":"0.008663148","2110-ET-R1":"0.005407224","2110-ET-R2":"0.005450425","2110-ET-R3":"0.0067597","4710-DR-R1":"0.007666711","4710-DR-R2":"0.007921543","4710-DR-R3":"0.008698526","4710-C-R1":"0.007228997","4710-C-R2":"0.009726548","4710-C-R3":"0.009233638","4710-ET-R1":"0.007988219","4710-ET-R2":"0.007740365","4710-ET-R3":"0.007595308"},{"Metabolite":"Octadecatrienoic acid","2110-DR-R1":"0.001778003","2110-DR-R2":"0.001669422","2110-DR-R3":"0.002747818","2110-C-R1":"0.003726207","2110-C-R2":"0.001971514","2110-C-R3":"0.002559654","2110-ET-R1":"0.001711073","2110-ET-R2":"0.0019802","2110-ET-R3":"0.002281529","4710-DR-R1":"0.002511939","4710-DR-R2":"0.002061448","4710-DR-R3":"0.002818199","4710-C-R1":"0.002714786","4710-C-R2":"0.003888933","4710-C-R3":"0.003216597","4710-ET-R1":"0.002995182","4710-ET-R2":"0.005357525","4710-ET-R3":"0.003212667"},{"Metabolite":"Oxoglutaric acid","2110-DR-R1":"0.183867938","2110-DR-R2":"0.22778185","2110-DR-R3":"0.120724351","2110-C-R1":"0.210909496","2110-C-R2":"0.154520285","2110-C-R3":"0.151046978","2110-ET-R1":"0.192967788","2110-ET-R2":"0.136247684","2110-ET-R3":"0.099369052","4710-DR-R1":"0.423410643","4710-DR-R2":"0.213214783","4710-DR-R3":"0.290314647","4710-C-R1":"0.160692127","4710-C-R2":"0.214618755","4710-C-R3":"0.218609641","4710-ET-R1":"0.285188254","4710-ET-R2":"0.308308844","4710-ET-R3":"0.283785415"},{"Metabolite":"Pentonic acid","2110-DR-R1":"0.001186492","2110-DR-R2":"0.00173573","2110-DR-R3":"0.000495189","2110-C-R1":"0.001199416","2110-C-R2":"0.000893492","2110-C-R3":"4.52E-06","2110-ET-R1":"0.000517129","2110-ET-R2":"4.52E-06","2110-ET-R3":"0.000225609","4710-DR-R1":"0.001958613","4710-DR-R2":"0.002103026","4710-DR-R3":"0.001426696","4710-C-R1":"0.000863564","4710-C-R2":"4.52E-06","4710-C-R3":"4.52E-06","4710-ET-R1":"0.000596222","4710-ET-R2":"0.000868381","4710-ET-R3":"0.001153198"},{"Metabolite":"Pentonic acid-4","2110-DR-R1":"0.001189539","2110-DR-R2":"0.001357053","2110-DR-R3":"0.000794822","2110-C-R1":"0.001278788","2110-C-R2":"0.000769867","2110-C-R3":"0.001167332","2110-ET-R1":"0.000845112","2110-ET-R2":"0.001022191","2110-ET-R3":"0.001183767","4710-DR-R1":"0.001925159","4710-DR-R2":"0.001688108","4710-DR-R3":"0.001602267","4710-C-R1":"0.001552206","4710-C-R2":"0.001031861","4710-C-R3":"0.001405024","4710-ET-R1":"0.001246767","4710-ET-R2":"0.001025519","4710-ET-R3":"0.001050774"},{"Metabolite":"Phenylalanine","2110-DR-R1":"0.675592727","2110-DR-R2":"0.568352135","2110-DR-R3":"0.473971717","2110-C-R1":"0.3827259","2110-C-R2":"0.354295906","2110-C-R3":"0.701521305","2110-ET-R1":"0.289032845","2110-ET-R2":"0.442778487","2110-ET-R3":"0.376729839","4710-DR-R1":"0.613487373","4710-DR-R2":"0.333176112","4710-DR-R3":"0.513130282","4710-C-R1":"0.236120976","4710-C-R2":"0.236294541","4710-C-R3":"0.39222671","4710-ET-R1":"0.240088625","4710-ET-R2":"0.205544307","4710-ET-R3":"0.225036087"},{"Metabolite":"Phosphoric acid","2110-DR-R1":"27.30732854","2110-DR-R2":"32.68094227","2110-DR-R3":"32.19102593","2110-C-R1":"40.2983932","2110-C-R2":"32.70260899","2110-C-R3":"39.11729798","2110-ET-R1":"33.29941477","2110-ET-R2":"30.33772349","2110-ET-R3":"32.04113355","4710-DR-R1":"50.24834209","4710-DR-R2":"51.7862461","4710-DR-R3":"50.89641151","4710-C-R1":"33.65456879","4710-C-R2":"52.28240821","4710-C-R3":"59.95665289","4710-ET-R1":"45.10661845","4710-ET-R2":"40.77824994","4710-ET-R3":"47.80414278"},{"Metabolite":"Pipecolic acid","2110-DR-R1":"3.041350483","2110-DR-R2":"3.090029486","2110-DR-R3":"3.287384144","2110-C-R1":"2.911545031","2110-C-R2":"0.796346069","2110-C-R3":"1.375445406","2110-ET-R1":"1.014205056","2110-ET-R2":"1.016711567","2110-ET-R3":"1.277890862","4710-DR-R1":"8.632092637","4710-DR-R2":"4.688907262","4710-DR-R3":"3.352098021","4710-C-R1":"3.505488509","4710-C-R2":"2.960407707","4710-C-R3":"0.887777276","4710-ET-R1":"0.772259715","4710-ET-R2":"1.109195338","4710-ET-R3":"1.649261669"},{"Metabolite":"Porphyrin-ring","2110-DR-R1":"0.001141315","2110-DR-R2":"0.001993745","2110-DR-R3":"0.001421842","2110-C-R1":"0.000851411","2110-C-R2":"0.002007833","2110-C-R3":"0.001778808","2110-ET-R1":"0.002143346","2110-ET-R2":"0.000884599","2110-ET-R3":"0.00152217","4710-DR-R1":"0.000960915","4710-DR-R2":"0.001824006","4710-DR-R3":"0.0007277","4710-C-R1":"0.002481561","4710-C-R2":"0.001830659","4710-C-R3":"0.000763033","4710-ET-R1":"0.001369405","4710-ET-R2":"0.00090503","4710-ET-R3":"0.000778452"},{"Metabolite":"Proline","2110-DR-R1":"1.767831958","2110-DR-R2":"1.32331292","2110-DR-R3":"2.567011951","2110-C-R1":"2.499793361","2110-C-R2":"1.461415981","2110-C-R3":"2.089724847","2110-ET-R1":"0.839323122","2110-ET-R2":"0.72756355","2110-ET-R3":"0.853133369","4710-DR-R1":"5.920986793","4710-DR-R2":"5.28661661","4710-DR-R3":"6.80352064","4710-C-R1":"3.240657353","4710-C-R2":"11.55095616","4710-C-R3":"9.089930629","4710-ET-R1":"3.445590388","4710-ET-R2":"8.243191483","4710-ET-R3":"5.415741039"},{"Metabolite":"Putrescine","2110-DR-R1":"0.038373503","2110-DR-R2":"0.060945956","2110-DR-R3":"0.13681744","2110-C-R1":"0.129708676","2110-C-R2":"0.076854351","2110-C-R3":"0.085213872","2110-ET-R1":"0.098132943","2110-ET-R2":"0.107331553","2110-ET-R3":"0.094101553","4710-DR-R1":"0.230498067","4710-DR-R2":"0.137254189","4710-DR-R3":"0.128267822","4710-C-R1":"0.076812446","4710-C-R2":"0.148982861","4710-C-R3":"0.111923031","4710-ET-R1":"0.098480459","4710-ET-R2":"0.194309921","4710-ET-R3":"0.133008082"},{"Metabolite":"Quinic acid","2110-DR-R1":"4.52E-06","2110-DR-R2":"4.52E-06","2110-DR-R3":"0.000729212","2110-C-R1":"0.000463119","2110-C-R2":"9.35552E-05","2110-C-R3":"4.52E-06","2110-ET-R1":"0.000414272","2110-ET-R2":"0.00041062","2110-ET-R3":"4.52E-06","4710-DR-R1":"0.002325844","4710-DR-R2":"0.002455895","4710-DR-R3":"0.002131719","4710-C-R1":"4.52E-06","4710-C-R2":"0.000370998","4710-C-R3":"0.000528003","4710-ET-R1":"0.000247186","4710-ET-R2":"0.000723985","4710-ET-R3":"0.000321938"},{"Metabolite":"Raffinose","2110-DR-R1":"157.1708178","2110-DR-R2":"171.0432762","2110-DR-R3":"194.2191452","2110-C-R1":"247.3980527","2110-C-R2":"152.7487403","2110-C-R3":"208.6524465","2110-ET-R1":"218.2701729","2110-ET-R2":"176.8053165","2110-ET-R3":"192.6478458","4710-DR-R1":"192.2642595","4710-DR-R2":"184.9068475","4710-DR-R3":"185.9654334","4710-C-R1":"171.5464362","4710-C-R2":"176.5927655","4710-C-R3":"143.8725426","4710-ET-R1":"192.8783664","4710-ET-R2":"140.8061789","4710-ET-R3":"135.175916"},{"Metabolite":"Ribonic acid","2110-DR-R1":"0.005669265","2110-DR-R2":"0.007146589","2110-DR-R3":"0.006068458","2110-C-R1":"0.004519062","2110-C-R2":"0.003638848","2110-C-R3":"0.003854597","2110-ET-R1":"0.003720321","2110-ET-R2":"0.003476653","2110-ET-R3":"0.003452756","4710-DR-R1":"0.007216463","4710-DR-R2":"0.00642484","4710-DR-R3":"0.006385736","4710-C-R1":"0.003654742","4710-C-R2":"0.004129237","4710-C-R3":"0.003431099","4710-ET-R1":"0.003493271","4710-ET-R2":"0.00399955","4710-ET-R3":"0.003687992"},{"Metabolite":"Ribose","2110-DR-R1":"0.037248579","2110-DR-R2":"0.032826691","2110-DR-R3":"0.034550913","2110-C-R1":"0.056312441","2110-C-R2":"0.041754782","2110-C-R3":"0.040700022","2110-ET-R1":"0.04792565","2110-ET-R2":"0.04267831","2110-ET-R3":"0.037532824","4710-DR-R1":"0.067302397","4710-DR-R2":"0.073220058","4710-DR-R3":"0.050223495","4710-C-R1":"0.089192696","4710-C-R2":"0.117156906","4710-C-R3":"0.095954849","4710-ET-R1":"0.06129979","4710-ET-R2":"0.179131904","4710-ET-R3":"0.167648207"},{"Metabolite":"Scyllo-inositol","2110-DR-R1":"0.015940906","2110-DR-R2":"0.021946462","2110-DR-R3":"0.024785937","2110-C-R1":"0.017142952","2110-C-R2":"0.017407116","2110-C-R3":"0.024781971","2110-ET-R1":"0.02140577","2110-ET-R2":"0.022062278","2110-ET-R3":"0.030255104","4710-DR-R1":"0.037553591","4710-DR-R2":"0.048164737","4710-DR-R3":"0.038050424","4710-C-R1":"0.020411135","4710-C-R2":"0.029543081","4710-C-R3":"0.027837658","4710-ET-R1":"0.032442836","4710-ET-R2":"0.027740205","4710-ET-R3":"0.02896683"},{"Metabolite":"Serine","2110-DR-R1":"0.237166304","2110-DR-R2":"0.313927014","2110-DR-R3":"0.174750626","2110-C-R1":"0.121120042","2110-C-R2":"0.112282078","2110-C-R3":"0.156587595","2110-ET-R1":"0.100076907","2110-ET-R2":"0.227926119","2110-ET-R3":"0.145628792","4710-DR-R1":"0.849908077","4710-DR-R2":"0.338423831","4710-DR-R3":"0.2427424","4710-C-R1":"0.147831197","4710-C-R2":"0.190299939","4710-C-R3":"0.169271557","4710-ET-R1":"0.145596538","4710-ET-R2":"0.204939312","4710-ET-R3":"0.192580449"},{"Metabolite":"Sitosterol","2110-DR-R1":"2.475597036","2110-DR-R2":"3.299173104","2110-DR-R3":"3.745640124","2110-C-R1":"4.177656631","2110-C-R2":"2.95502559","2110-C-R3":"3.800027598","2110-ET-R1":"3.008246789","2110-ET-R2":"2.777287413","2110-ET-R3":"2.856873178","4710-DR-R1":"3.825954002","4710-DR-R2":"4.07277776","4710-DR-R3":"3.846016943","4710-C-R1":"2.614067222","4710-C-R2":"3.873733965","4710-C-R3":"3.385667973","4710-ET-R1":"3.526193179","4710-ET-R2":"2.835867417","4710-ET-R3":"3.127108008"},{"Metabolite":"sn-Glycero-2-phosphate","2110-DR-R1":"0.001315021","2110-DR-R2":"0.001329384","2110-DR-R3":"0.001527442","2110-C-R1":"0.001250496","2110-C-R2":"0.001237177","2110-C-R3":"0.001502932","2110-ET-R1":"0.001055038","2110-ET-R2":"0.001260534","2110-ET-R3":"4.52E-06","4710-DR-R1":"0.001983192","4710-DR-R2":"0.001864662","4710-DR-R3":"0.002251421","4710-C-R1":"0.001484686","4710-C-R2":"0.002382499","4710-C-R3":"0.001859775","4710-ET-R1":"0.001742809","4710-ET-R2":"0.0022939","4710-ET-R3":"0.002105199"},{"Metabolite":"sn-Glycero-3-phosphate","2110-DR-R1":"0.221417396","2110-DR-R2":"0.228754398","2110-DR-R3":"0.261210956","2110-C-R1":"0.2568859","2110-C-R2":"0.205275977","2110-C-R3":"0.212440299","2110-ET-R1":"0.180900288","2110-ET-R2":"0.178962648","2110-ET-R3":"0.188280767","4710-DR-R1":"0.340790092","4710-DR-R2":"0.304800773","4710-DR-R3":"0.3730534","4710-C-R1":"0.241583033","4710-C-R2":"0.393325556","4710-C-R3":"0.335244094","4710-ET-R1":"0.297595775","4710-ET-R2":"0.367504203","4710-ET-R3":"0.33448958"},{"Metabolite":"Sorbitol","2110-DR-R1":"0.424727044","2110-DR-R2":"0.289710623","2110-DR-R3":"0.422087308","2110-C-R1":"0.698325074","2110-C-R2":"0.517215056","2110-C-R3":"0.907475786","2110-ET-R1":"0.523912573","2110-ET-R2":"0.508305616","2110-ET-R3":"0.729812761","4710-DR-R1":"0.447482821","4710-DR-R2":"0.409909055","4710-DR-R3":"0.380741454","4710-C-R1":"0.52850729","4710-C-R2":"0.983614527","4710-C-R3":"1.960565318","4710-ET-R1":"0.713656548","4710-ET-R2":"0.590759425","4710-ET-R3":"0.740599336"},{"Metabolite":"Stachyose","2110-DR-R1":"6.62120542","2110-DR-R2":"7.718198098","2110-DR-R3":"8.874322732","2110-C-R1":"10.26371767","2110-C-R2":"6.889070041","2110-C-R3":"9.946114571","2110-ET-R1":"10.13117271","2110-ET-R2":"8.146111212","2110-ET-R3":"9.41760133","4710-DR-R1":"7.627174077","4710-DR-R2":"8.102027842","4710-DR-R3":"8.381408422","4710-C-R1":"9.726340286","4710-C-R2":"9.925921109","4710-C-R3":"6.687464669","4710-ET-R1":"9.959142857","4710-ET-R2":"7.507714902","4710-ET-R3":"6.695032077"},{"Metabolite":"Stigmasterol","2110-DR-R1":"0.177789671","2110-DR-R2":"0.26117003","2110-DR-R3":"0.232165802","2110-C-R1":"0.187899163","2110-C-R2":"0.215990886","2110-C-R3":"0.260985279","2110-ET-R1":"0.19326716","2110-ET-R2":"0.202171467","2110-ET-R3":"0.233912766","4710-DR-R1":"0.362116495","4710-DR-R2":"0.392428288","4710-DR-R3":"0.346706806","4710-C-R1":"0.181962594","4710-C-R2":"0.306183791","4710-C-R3":"0.279295743","4710-ET-R1":"0.274820364","4710-ET-R2":"0.273779213","4710-ET-R3":"0.27831547"},{"Metabolite":"Succinic acid","2110-DR-R1":"0.161396107","2110-DR-R2":"0.193142161","2110-DR-R3":"0.221470843","2110-C-R1":"0.275559522","2110-C-R2":"0.167004122","2110-C-R3":"0.28526845","2110-ET-R1":"0.158939258","2110-ET-R2":"0.18668675","2110-ET-R3":"0.206912259","4710-DR-R1":"0.261643754","4710-DR-R2":"0.234306666","4710-DR-R3":"0.2341912","4710-C-R1":"0.160097299","4710-C-R2":"0.258651202","4710-C-R3":"0.396970676","4710-ET-R1":"0.196277854","4710-ET-R2":"0.163302676","4710-ET-R3":"0.270031421"},{"Metabolite":"Sucrose","2110-DR-R1":"289.8108551","2110-DR-R2":"256.1879939","2110-DR-R3":"409.6397432","2110-C-R1":"429.5711248","2110-C-R2":"313.6594658","2110-C-R3":"374.7914275","2110-ET-R1":"344.581711","2110-ET-R2":"301.2277824","2110-ET-R3":"350.7975043","4710-DR-R1":"433.8898341","4710-DR-R2":"375.6923125","4710-DR-R3":"446.2633921","4710-C-R1":"343.3194199","4710-C-R2":"505.8936898","4710-C-R3":"412.2682599","4710-ET-R1":"446.3104968","4710-ET-R2":"484.5964919","4710-ET-R3":"431.0037932"},{"Metabolite":"Sucrose 6-phosphate","2110-DR-R1":"0.054172067","2110-DR-R2":"0.068724876","2110-DR-R3":"0.109095604","2110-C-R1":"0.072788783","2110-C-R2":"0.071154865","2110-C-R3":"0.09175933","2110-ET-R1":"0.116270574","2110-ET-R2":"0.074412607","2110-ET-R3":"0.086239113","4710-DR-R1":"0.110583425","4710-DR-R2":"0.114449851","4710-DR-R3":"0.095319985","4710-C-R1":"0.058701647","4710-C-R2":"0.170146479","4710-C-R3":"0.14171725","4710-ET-R1":"0.118056316","4710-ET-R2":"0.061667177","4710-ET-R3":"0.07474851"},{"Metabolite":"Threitol","2110-DR-R1":"0.000437502","2110-DR-R2":"0.000655112","2110-DR-R3":"0.000639266","2110-C-R1":"0.00038645","2110-C-R2":"0.000783664","2110-C-R3":"0.000922627","2110-ET-R1":"0.000383366","2110-ET-R2":"0.000769408","2110-ET-R3":"0.000587087","4710-DR-R1":"0.001110721","4710-DR-R2":"0.001727412","4710-DR-R3":"0.000776384","4710-C-R1":"0.000812342","4710-C-R2":"0.001288624","4710-C-R3":"0.001949908","4710-ET-R1":"0.000598336","4710-ET-R2":"0.000992559","4710-ET-R3":"0.001143983"},{"Metabolite":"Threonic acid","2110-DR-R1":"0.00866886","2110-DR-R2":"0.010024376","2110-DR-R3":"0.012492666","2110-C-R1":"0.008135649","2110-C-R2":"0.006342624","2110-C-R3":"0.00650184","2110-ET-R1":"0.007548735","2110-ET-R2":"0.006476944","2110-ET-R3":"0.006960143","4710-DR-R1":"0.01141059","4710-DR-R2":"0.011760944","4710-DR-R3":"0.012105522","4710-C-R1":"0.006829103","4710-C-R2":"0.00801293","4710-C-R3":"0.005479776","4710-ET-R1":"0.007388632","4710-ET-R2":"0.007106748","4710-ET-R3":"0.007031801"},{"Metabolite":"Threonine","2110-DR-R1":"0.504922781","2110-DR-R2":"0.510976638","2110-DR-R3":"0.502717324","2110-C-R1":"0.441470969","2110-C-R2":"0.386865863","2110-C-R3":"0.436017996","2110-ET-R1":"0.512940481","2110-ET-R2":"0.459461574","2110-ET-R3":"0.434841383","4710-DR-R1":"1.048056107","4710-DR-R2":"0.719740372","4710-DR-R3":"0.675716189","4710-C-R1":"0.623038838","4710-C-R2":"0.537209654","4710-C-R3":"0.590710824","4710-ET-R1":"0.573334235","4710-ET-R2":"0.783002276","4710-ET-R3":"0.565243206"},{"Metabolite":"trans-Aconitic acid","2110-DR-R1":"0.109076485","2110-DR-R2":"0.138956677","2110-DR-R3":"0.128634815","2110-C-R1":"0.201363759","2110-C-R2":"0.106599089","2110-C-R3":"0.138808212","2110-ET-R1":"0.126313856","2110-ET-R2":"0.109202312","2110-ET-R3":"0.13444127","4710-DR-R1":"0.179305679","4710-DR-R2":"0.207708389","4710-DR-R3":"0.179590758","4710-C-R1":"0.148576607","4710-C-R2":"0.226686784","4710-C-R3":"0.17921332","4710-ET-R1":"0.173645998","4710-ET-R2":"0.259377545","4710-ET-R3":"0.251143104"},{"Metabolite":"Trehalose","2110-DR-R1":"4.52E-06","2110-DR-R2":"4.52E-06","2110-DR-R3":"4.52E-06","2110-C-R1":"0.055128146","2110-C-R2":"0.068961778","2110-C-R3":"0.070874262","2110-ET-R1":"4.52E-06","2110-ET-R2":"0.110488281","2110-ET-R3":"4.52E-06","4710-DR-R1":"4.52E-06","4710-DR-R2":"4.52E-06","4710-DR-R3":"4.52E-06","4710-C-R1":"0.050441005","4710-C-R2":"0.208491513","4710-C-R3":"0.162134308","4710-ET-R1":"0.05855621","4710-ET-R2":"0.096585455","4710-ET-R3":"0.024749512"},{"Metabolite":"Tryptophan","2110-DR-R1":"0.811253467","2110-DR-R2":"0.911616882","2110-DR-R3":"0.952546835","2110-C-R1":"1.475188082","2110-C-R2":"1.137656422","2110-C-R3":"1.697769438","2110-ET-R1":"1.275678299","2110-ET-R2":"1.488006636","2110-ET-R3":"1.478435857","4710-DR-R1":"1.234224966","4710-DR-R2":"2.096339012","4710-DR-R3":"1.165521189","4710-C-R1":"3.096640692","4710-C-R2":"1.583763934","4710-C-R3":"2.47846143","4710-ET-R1":"3.947330397","4710-ET-R2":"1.699989463","4710-ET-R3":"2.441192529"},{"Metabolite":"Tyramine","2110-DR-R1":"0.000457257","2110-DR-R2":"0.001048627","2110-DR-R3":"0.000753389","2110-C-R1":"0.000240829","2110-C-R2":"0.000401262","2110-C-R3":"4.52E-06","2110-ET-R1":"0.000288788","2110-ET-R2":"0.000488451","2110-ET-R3":"0.000436584","4710-DR-R1":"4.52E-06","4710-DR-R2":"4.52E-06","4710-DR-R3":"4.52E-06","4710-C-R1":"4.52E-06","4710-C-R2":"4.52E-06","4710-C-R3":"4.52E-06","4710-ET-R1":"4.52E-06","4710-ET-R2":"4.52E-06","4710-ET-R3":"4.52E-06"},{"Metabolite":"Tyrosine","2110-DR-R1":"0.176924564","2110-DR-R2":"0.171020665","2110-DR-R3":"0.18058581","2110-C-R1":"0.182093365","2110-C-R2":"0.155441919","2110-C-R3":"0.186924412","2110-ET-R1":"0.168035406","2110-ET-R2":"0.211470692","2110-ET-R3":"0.170061547","4710-DR-R1":"0.208707514","4710-DR-R2":"0.158287939","4710-DR-R3":"0.162913321","4710-C-R1":"0.147983715","4710-C-R2":"0.155043993","4710-C-R3":"0.169274861","4710-ET-R1":"0.158781392","4710-ET-R2":"0.142049898","4710-ET-R3":"0.138812876"},{"Metabolite":"U0970.7/184","2110-DR-R1":"0.000808518","2110-DR-R2":"4.52E-06","2110-DR-R3":"4.52E-06","2110-C-R1":"4.52E-06","2110-C-R2":"4.52E-06","2110-C-R3":"4.52E-06","2110-ET-R1":"4.52E-06","2110-ET-R2":"4.52E-06","2110-ET-R3":"4.52E-06","4710-DR-R1":"0.007671693","4710-DR-R2":"0.009068443","4710-DR-R3":"0.01516635","4710-C-R1":"0.000472884","4710-C-R2":"4.52E-06","4710-C-R3":"0.006113117","4710-ET-R1":"0.003708241","4710-ET-R2":"0.003974104","4710-ET-R3":"0.004696781"},{"Metabolite":"U1070.1/131","2110-DR-R1":"0.00117448","2110-DR-R2":"0.001054931","2110-DR-R3":"0.001592543","2110-C-R1":"0.001234588","2110-C-R2":"0.001170109","2110-C-R3":"0.001354825","2110-ET-R1":"0.001460522","2110-ET-R2":"0.000815305","2110-ET-R3":"0.000824035","4710-DR-R1":"0.001229212","4710-DR-R2":"0.001335442","4710-DR-R3":"0.001851509","4710-C-R1":"0.000863457","4710-C-R2":"0.000242213","4710-C-R3":"4.52E-06","4710-ET-R1":"0.000839656","4710-ET-R2":"0.000710335","4710-ET-R3":"0.000739389"},{"Metabolite":"U1093.6/147","2110-DR-R1":"0.000138511","2110-DR-R2":"0.000142245","2110-DR-R3":"0.000193027","2110-C-R1":"0.000173192","2110-C-R2":"4.52E-06","2110-C-R3":"4.52E-06","2110-ET-R1":"4.52E-06","2110-ET-R2":"0.00021565","2110-ET-R3":"9.92714E-05","4710-DR-R1":"0.000122453","4710-DR-R2":"4.52E-06","4710-DR-R3":"0.000182665","4710-C-R1":"0.000123542","4710-C-R2":"4.52E-06","4710-C-R3":"0.00015772","4710-ET-R1":"4.52E-06","4710-ET-R2":"4.52E-06","4710-ET-R3":"0.000158805"},{"Metabolite":"U1121.3/332","2110-DR-R1":"0.000768418","2110-DR-R2":"0.000521284","2110-DR-R3":"0.000743597","2110-C-R1":"0.000398701","2110-C-R2":"0.000493762","2110-C-R3":"0.000651561","2110-ET-R1":"0.000459186","2110-ET-R2":"0.000365191","2110-ET-R3":"0.000607545","4710-DR-R1":"0.00103295","4710-DR-R2":"0.000964726","4710-DR-R3":"0.001227961","4710-C-R1":"0.000584636","4710-C-R2":"0.000889632","4710-C-R3":"0.000774647","4710-ET-R1":"0.000691166","4710-ET-R2":"0.000507194","4710-ET-R3":"0.000588005"},{"Metabolite":"U1124.3/140","2110-DR-R1":"0.000440033","2110-DR-R2":"4.52E-06","2110-DR-R3":"4.52E-06","2110-C-R1":"0.000332378","2110-C-R2":"4.52E-06","2110-C-R3":"4.52E-06","2110-ET-R1":"4.52E-06","2110-ET-R2":"0.001745623","2110-ET-R3":"4.52E-06","4710-DR-R1":"0.000863984","4710-DR-R2":"3.9188E-05","4710-DR-R3":"0.000861476","4710-C-R1":"4.52E-06","4710-C-R2":"4.52E-06","4710-C-R3":"0.000290666","4710-ET-R1":"4.52E-06","4710-ET-R2":"4.52E-06","4710-ET-R3":"9.05761E-05"},{"Metabolite":"U1127.5/140","2110-DR-R1":"0.001999399","2110-DR-R2":"0.001159849","2110-DR-R3":"4.52E-06","2110-C-R1":"0.00169722","2110-C-R2":"0.001423081","2110-C-R3":"4.52E-06","2110-ET-R1":"0.001422855","2110-ET-R2":"4.52E-06","2110-ET-R3":"0.001698443","4710-DR-R1":"0.00174798","4710-DR-R2":"0.001756924","4710-DR-R3":"0.00283277","4710-C-R1":"4.52E-06","4710-C-R2":"0.001551234","4710-C-R3":"4.52E-06","4710-ET-R1":"4.52E-06","4710-ET-R2":"0.001627876","4710-ET-R3":"4.52E-06"},{"Metabolite":"U1137/184","2110-DR-R1":"0.000779347","2110-DR-R2":"0.0014427","2110-DR-R3":"4.52E-06","2110-C-R1":"4.52E-06","2110-C-R2":"0.001883342","2110-C-R3":"0.001195243","2110-ET-R1":"0.001274334","2110-ET-R2":"4.52E-06","2110-ET-R3":"0.000594053","4710-DR-R1":"0.00237938","4710-DR-R2":"0.000514319","4710-DR-R3":"0.001469629","4710-C-R1":"0.000357515","4710-C-R2":"0.000314193","4710-C-R3":"4.52E-06","4710-ET-R1":"0.000279526","4710-ET-R2":"0.002515951","4710-ET-R3":"4.52E-06"},{"Metabolite":"U1169.9/198(mstfaTHERMO)","2110-DR-R1":"0.007785482","2110-DR-R2":"0.007161443","2110-DR-R3":"0.006225772","2110-C-R1":"0.008116075","2110-C-R2":"0.005679152","2110-C-R3":"0.007154244","2110-ET-R1":"0.005359321","2110-ET-R2":"0.007037783","2110-ET-R3":"0.004835693","4710-DR-R1":"0.008360227","4710-DR-R2":"0.007296045","4710-DR-R3":"0.010384446","4710-C-R1":"0.00739864","4710-C-R2":"0.004557686","4710-C-R3":"0.008989627","4710-ET-R1":"0.007646074","4710-ET-R2":"0.006459205","4710-ET-R3":"0.008351533"},{"Metabolite":"U1205.8/198","2110-DR-R1":"0.002249106","2110-DR-R2":"4.52E-06","2110-DR-R3":"0.000526727","2110-C-R1":"0.002119639","2110-C-R2":"0.001899317","2110-C-R3":"0.000441641","2110-ET-R1":"0.001880756","2110-ET-R2":"0.001625981","2110-ET-R3":"0.001105659","4710-DR-R1":"0.001970838","4710-DR-R2":"0.00245615","4710-DR-R3":"0.00195177","4710-C-R1":"0.001964173","4710-C-R2":"0.002110257","4710-C-R3":"0.002318405","4710-ET-R1":"0.002189571","4710-ET-R2":"0.001655348","4710-ET-R3":"0.001142474"},{"Metabolite":"U1240.7/286","2110-DR-R1":"0.000693782","2110-DR-R2":"0.000827664","2110-DR-R3":"0.000403729","2110-C-R1":"0.000238179","2110-C-R2":"0.000681053","2110-C-R3":"0.001410141","2110-ET-R1":"0.000771547","2110-ET-R2":"0.000519096","2110-ET-R3":"0.000899732","4710-DR-R1":"0.000459255","4710-DR-R2":"0.000786132","4710-DR-R3":"0.000385563","4710-C-R1":"0.000972685","4710-C-R2":"0.00075002","4710-C-R3":"0.000767474","4710-ET-R1":"0.001072194","4710-ET-R2":"0.000277431","4710-ET-R3":"0.000704295"},{"Metabolite":"U1252.8/157","2110-DR-R1":"4.52E-06","2110-DR-R2":"0.000318064","2110-DR-R3":"0.000422218","2110-C-R1":"0.000420072","2110-C-R2":"0.000264408","2110-C-R3":"0.000424708","2110-ET-R1":"0.000454233","2110-ET-R2":"0.000197541","2110-ET-R3":"0.000314966","4710-DR-R1":"4.52E-06","4710-DR-R2":"4.52E-06","4710-DR-R3":"4.52E-06","4710-C-R1":"0.000328545","4710-C-R2":"0.000211077","4710-C-R3":"4.52E-06","4710-ET-R1":"0.000175882","4710-ET-R2":"4.52E-06","4710-ET-R3":"4.52E-06"},{"Metabolite":"U1290/198","2110-DR-R1":"0.014776361","2110-DR-R2":"0.013915605","2110-DR-R3":"0.014879933","2110-C-R1":"0.017743232","2110-C-R2":"0.010347323","2110-C-R3":"0.013081368","2110-ET-R1":"0.011829889","2110-ET-R2":"0.014217311","2110-ET-R3":"0.012659079","4710-DR-R1":"0.023419657","4710-DR-R2":"0.021632114","4710-DR-R3":"0.028667943","4710-C-R1":"0.0145552","4710-C-R2":"0.016518363","4710-C-R3":"0.027438053","4710-ET-R1":"0.018217446","4710-ET-R2":"0.012593956","4710-ET-R3":"0.018932213"},{"Metabolite":"U1317.1/199","2110-DR-R1":"0.001757862","2110-DR-R2":"9.2703E-05","2110-DR-R3":"0.000902042","2110-C-R1":"4.52E-06","2110-C-R2":"0.001834446","2110-C-R3":"4.52E-06","2110-ET-R1":"0.001669099","2110-ET-R2":"0.002130367","2110-ET-R3":"4.52E-06","4710-DR-R1":"0.00229942","4710-DR-R2":"0.002640214","4710-DR-R3":"0.001145813","4710-C-R1":"0.00145266","4710-C-R2":"4.52E-06","4710-C-R3":"4.52E-06","4710-ET-R1":"0.001028869","4710-ET-R2":"0.001283926","4710-ET-R3":"4.52E-06"},{"Metabolite":"U1347/183","2110-DR-R1":"0.019373025","2110-DR-R2":"0.015183417","2110-DR-R3":"0.013848116","2110-C-R1":"0.015151213","2110-C-R2":"0.012469124","2110-C-R3":"0.015646219","2110-ET-R1":"0.009820333","2110-ET-R2":"0.012429822","2110-ET-R3":"0.011286236","4710-DR-R1":"0.025068598","4710-DR-R2":"0.020883497","4710-DR-R3":"0.028727285","4710-C-R1":"0.016987973","4710-C-R2":"0.014956255","4710-C-R3":"0.027868183","4710-ET-R1":"0.019468373","4710-ET-R2":"0.013629525","4710-ET-R3":"0.02327672"},{"Metabolite":"U1415.0/255","2110-DR-R1":"0.000332116","2110-DR-R2":"4.52E-06","2110-DR-R3":"4.52E-06","2110-C-R1":"0.000176481","2110-C-R2":"4.52E-06","2110-C-R3":"0.000348346","2110-ET-R1":"4.52E-06","2110-ET-R2":"4.52E-06","2110-ET-R3":"0.000140086","4710-DR-R1":"0.000439883","4710-DR-R2":"0.000804696","4710-DR-R3":"0.000387275","4710-C-R1":"4.52E-06","4710-C-R2":"4.52E-06","4710-C-R3":"0.000246842","4710-ET-R1":"4.52E-06","4710-ET-R2":"4.52E-06","4710-ET-R3":"4.52E-06"},{"Metabolite":"U1434.1/255","2110-DR-R1":"0.04922796","2110-DR-R2":"0.042179319","2110-DR-R3":"0.044395501","2110-C-R1":"0.04887984","2110-C-R2":"0.029960096","2110-C-R3":"0.044217455","2110-ET-R1":"0.033867244","2110-ET-R2":"0.029899755","2110-ET-R3":"0.031494928","4710-DR-R1":"0.079538526","4710-DR-R2":"0.072066003","4710-DR-R3":"0.087212245","4710-C-R1":"0.049607294","4710-C-R2":"0.052891804","4710-C-R3":"0.08673993","4710-ET-R1":"0.055929894","4710-ET-R2":"0.03861454","4710-ET-R3":"0.05728598"},{"Metabolite":"U1488.1/200","2110-DR-R1":"0.00104193","2110-DR-R2":"0.000721663","2110-DR-R3":"4.52E-06","2110-C-R1":"4.52E-06","2110-C-R2":"0.000959878","2110-C-R3":"0.000883167","2110-ET-R1":"0.000689691","2110-ET-R2":"0.000710126","2110-ET-R3":"0.000559512","4710-DR-R1":"0.001051679","4710-DR-R2":"0.001095015","4710-DR-R3":"0.001488711","4710-C-R1":"0.001026231","4710-C-R2":"0.00095306","4710-C-R3":"0.001596322","4710-ET-R1":"0.001317197","4710-ET-R2":"0.001255685","4710-ET-R3":"0.001603567"},{"Metabolite":"U1530.2/314","2110-DR-R1":"0.037789678","2110-DR-R2":"0.046597348","2110-DR-R3":"0.049187231","2110-C-R1":"0.023319187","2110-C-R2":"0.033214253","2110-C-R3":"0.041191496","2110-ET-R1":"0.028695506","2110-ET-R2":"0.022707618","2110-ET-R3":"0.043000843","4710-DR-R1":"0.054701539","4710-DR-R2":"0.084869596","4710-DR-R3":"0.048465839","4710-C-R1":"0.061010631","4710-C-R2":"0.045464447","4710-C-R3":"0.041728056","4710-ET-R1":"0.061890406","4710-ET-R2":"0.034280065","4710-ET-R3":"0.035607205"},{"Metabolite":"U1574.4/369","2110-DR-R1":"0.003124655","2110-DR-R2":"4.52E-06","2110-DR-R3":"0.002992813","2110-C-R1":"0.004537342","2110-C-R2":"0.000869077","2110-C-R3":"4.52E-06","2110-ET-R1":"0.001195727","2110-ET-R2":"0.002248284","2110-ET-R3":"0.001916019","4710-DR-R1":"0.00143983","4710-DR-R2":"0.000814547","4710-DR-R3":"0.005646116","4710-C-R1":"0.001697015","4710-C-R2":"0.000721825","4710-C-R3":"4.52E-06","4710-ET-R1":"4.52E-06","4710-ET-R2":"0.001357153","4710-ET-R3":"0.001678319"},{"Metabolite":"U1578.3/174","2110-DR-R1":"0.013838114","2110-DR-R2":"0.01151312","2110-DR-R3":"0.010737595","2110-C-R1":"0.01179763","2110-C-R2":"0.007824863","2110-C-R3":"0.010930727","2110-ET-R1":"0.00791379","2110-ET-R2":"0.007236599","2110-ET-R3":"0.007606929","4710-DR-R1":"0.021913524","4710-DR-R2":"0.020152468","4710-DR-R3":"0.023974647","4710-C-R1":"0.013896206","4710-C-R2":"0.013716568","4710-C-R3":"0.023707234","4710-ET-R1":"0.015964551","4710-ET-R2":"0.009732806","4710-ET-R3":"0.015439019"},{"Metabolite":"U1602.7/244","2110-DR-R1":"0.001364128","2110-DR-R2":"0.000771839","2110-DR-R3":"0.000892095","2110-C-R1":"0.001574649","2110-C-R2":"0.001118971","2110-C-R3":"0.001299477","2110-ET-R1":"4.52E-06","2110-ET-R2":"0.000773687","2110-ET-R3":"0.000796717","4710-DR-R1":"0.00161444","4710-DR-R2":"0.001509177","4710-DR-R3":"0.001250205","4710-C-R1":"0.000970403","4710-C-R2":"0.001129054","4710-C-R3":"0.001116642","4710-ET-R1":"0.000865657","4710-ET-R2":"0.001024374","4710-ET-R3":"0.001128356"},{"Metabolite":"U1647.2/403","2110-DR-R1":"0.064489121","2110-DR-R2":"0.064781314","2110-DR-R3":"0.07120399","2110-C-R1":"0.054292079","2110-C-R2":"0.047891029","2110-C-R3":"0.057715253","2110-ET-R1":"0.047846131","2110-ET-R2":"0.05854869","2110-ET-R3":"0.059312052","4710-DR-R1":"0.116776333","4710-DR-R2":"0.099195316","4710-DR-R3":"0.131063206","4710-C-R1":"0.057835161","4710-C-R2":"0.085110881","4710-C-R3":"0.094498283","4710-ET-R1":"0.072231667","4710-ET-R2":"0.093058134","4710-ET-R3":"0.080045049"},{"Metabolite":"U1761.4/217","2110-DR-R1":"0.006223727","2110-DR-R2":"0.005290294","2110-DR-R3":"4.52E-06","2110-C-R1":"0.011932922","2110-C-R2":"4.52E-06","2110-C-R3":"0.004027647","2110-ET-R1":"0.0029202","2110-ET-R2":"0.002822507","2110-ET-R3":"0.002607297","4710-DR-R1":"0.003792337","4710-DR-R2":"0.006106759","4710-DR-R3":"0.005192291","4710-C-R1":"4.52E-06","4710-C-R2":"0.008036087","4710-C-R3":"0.004244331","4710-ET-R1":"4.52E-06","4710-ET-R2":"4.52E-06","4710-ET-R3":"0.004796336"},{"Metabolite":"U1767.3/243","2110-DR-R1":"0.021156484","2110-DR-R2":"0.023191967","2110-DR-R3":"0.029554861","2110-C-R1":"0.037256524","2110-C-R2":"0.025324217","2110-C-R3":"0.029014199","2110-ET-R1":"0.026963105","2110-ET-R2":"0.033070969","2110-ET-R3":"0.034081988","4710-DR-R1":"0.025746702","4710-DR-R2":"0.029391939","4710-DR-R3":"0.03526794","4710-C-R1":"0.027390728","4710-C-R2":"0.037826216","4710-C-R3":"0.034219629","4710-ET-R1":"0.030437999","4710-ET-R2":"0.048070314","4710-ET-R3":"0.040121804"},{"Metabolite":"U1791.1/223","2110-DR-R1":"0.003852965","2110-DR-R2":"0.00425991","2110-DR-R3":"0.000514842","2110-C-R1":"0.001572153","2110-C-R2":"0.001748978","2110-C-R3":"0.001592653","2110-ET-R1":"0.003181291","2110-ET-R2":"0.001598935","2110-ET-R3":"4.52E-06","4710-DR-R1":"4.52E-06","4710-DR-R2":"0.002868802","4710-DR-R3":"0.004990667","4710-C-R1":"0.006382402","4710-C-R2":"0.002472667","4710-C-R3":"0.002345774","4710-ET-R1":"0.001444368","4710-ET-R2":"4.52E-06","4710-ET-R3":"4.52E-06"},{"Metabolite":"U1849.2/285","2110-DR-R1":"0.000314623","2110-DR-R2":"0.001518597","2110-DR-R3":"0.001567855","2110-C-R1":"0.003998266","2110-C-R2":"0.001070906","2110-C-R3":"0.001420039","2110-ET-R1":"0.000266272","2110-ET-R2":"0.01124616","2110-ET-R3":"0.001350233","4710-DR-R1":"0.00071368","4710-DR-R2":"0.000675781","4710-DR-R3":"0.000662422","4710-C-R1":"0.001714484","4710-C-R2":"0.000642731","4710-C-R3":"4.52E-06","4710-ET-R1":"4.52E-06","4710-ET-R2":"0.008693279","4710-ET-R3":"4.52E-06"},{"Metabolite":"U1874.5/275","2110-DR-R1":"0.000876919","2110-DR-R2":"0.001153342","2110-DR-R3":"0.001373854","2110-C-R1":"4.52E-06","2110-C-R2":"4.52E-06","2110-C-R3":"4.52E-06","2110-ET-R1":"4.52E-06","2110-ET-R2":"4.52E-06","2110-ET-R3":"4.52E-06","4710-DR-R1":"0.001538443","4710-DR-R2":"0.00106553","4710-DR-R3":"0.000840478","4710-C-R1":"4.52E-06","4710-C-R2":"4.52E-06","4710-C-R3":"4.52E-06","4710-ET-R1":"4.52E-06","4710-ET-R2":"4.52E-06","4710-ET-R3":"4.52E-06"},{"Metabolite":"U1939.4/308(polyol)","2110-DR-R1":"0.00055243","2110-DR-R2":"0.001021363","2110-DR-R3":"0.000693475","2110-C-R1":"4.52E-06","2110-C-R2":"0.000724116","2110-C-R3":"0.000869874","2110-ET-R1":"0.000700162","2110-ET-R2":"4.52E-06","2110-ET-R3":"0.001197351","4710-DR-R1":"0.000990535","4710-DR-R2":"0.000814607","4710-DR-R3":"0.000874284","4710-C-R1":"4.52E-06","4710-C-R2":"0.001925665","4710-C-R3":"4.52E-06","4710-ET-R1":"0.001295637","4710-ET-R2":"0.000832892","4710-ET-R3":"0.000787365"},{"Metabolite":"U1944.8/232","2110-DR-R1":"0.002370971","2110-DR-R2":"0.0041378","2110-DR-R3":"0.003731582","2110-C-R1":"0.0029258","2110-C-R2":"0.003130323","2110-C-R3":"0.005125637","2110-ET-R1":"0.002398464","2110-ET-R2":"4.52E-06","2110-ET-R3":"0.004042865","4710-DR-R1":"0.004609028","4710-DR-R2":"0.008246918","4710-DR-R3":"0.00412644","4710-C-R1":"0.004533138","4710-C-R2":"0.007133535","4710-C-R3":"0.004877045","4710-ET-R1":"0.003779999","4710-ET-R2":"0.006472789","4710-ET-R3":"0.002734269"},{"Metabolite":"U1966.1/217","2110-DR-R1":"0.002368595","2110-DR-R2":"0.000619007","2110-DR-R3":"0.001554387","2110-C-R1":"0.007881342","2110-C-R2":"0.000496304","2110-C-R3":"0.000697981","2110-ET-R1":"0.001694886","2110-ET-R2":"0.001699178","2110-ET-R3":"0.000464737","4710-DR-R1":"0.00166104","4710-DR-R2":"0.000617096","4710-DR-R3":"0.004909705","4710-C-R1":"4.52E-06","4710-C-R2":"4.52E-06","4710-C-R3":"0.003804314","4710-ET-R1":"4.52E-06","4710-ET-R2":"0.000817125","4710-ET-R3":"0.00343256"},{"Metabolite":"U2003.8/293","2110-DR-R1":"0.00011652","2110-DR-R2":"0.000561967","2110-DR-R3":"0.000206925","2110-C-R1":"4.52E-06","2110-C-R2":"4.52E-06","2110-C-R3":"4.52E-06","2110-ET-R1":"0.000715937","2110-ET-R2":"4.52E-06","2110-ET-R3":"4.52E-06","4710-DR-R1":"0.000924326","4710-DR-R2":"4.52E-06","4710-DR-R3":"0.002927738","4710-C-R1":"4.52E-06","4710-C-R2":"0.000782105","4710-C-R3":"0.001230242","4710-ET-R1":"4.52E-06","4710-ET-R2":"4.52E-06","4710-ET-R3":"4.52E-06"},{"Metabolite":"U2010.1/361","2110-DR-R1":"4.52E-06","2110-DR-R2":"4.52E-06","2110-DR-R3":"4.52E-06","2110-C-R1":"4.52E-06","2110-C-R2":"4.52E-06","2110-C-R3":"4.52E-06","2110-ET-R1":"4.52E-06","2110-ET-R2":"4.52E-06","2110-ET-R3":"4.52E-06","4710-DR-R1":"0.000848061","4710-DR-R2":"0.001236688","4710-DR-R3":"0.000807689","4710-C-R1":"4.52E-06","4710-C-R2":"0.000208099","4710-C-R3":"0.000273346","4710-ET-R1":"4.52E-06","4710-ET-R2":"4.52E-06","4710-ET-R3":"4.52E-06"},{"Metabolite":"U2015/292","2110-DR-R1":"4.52E-06","2110-DR-R2":"0.002237516","2110-DR-R3":"4.52E-06","2110-C-R1":"4.52E-06","2110-C-R2":"4.52E-06","2110-C-R3":"4.52E-06","2110-ET-R1":"4.52E-06","2110-ET-R2":"4.52E-06","2110-ET-R3":"4.52E-06","4710-DR-R1":"0.002662795","4710-DR-R2":"0.00398456","4710-DR-R3":"0.00284283","4710-C-R1":"0.001863391","4710-C-R2":"0.002451422","4710-C-R3":"0.002306387","4710-ET-R1":"0.001676598","4710-ET-R2":"0.002726744","4710-ET-R3":"0.002067265"},{"Metabolite":"U2058.0/289","2110-DR-R1":"4.52E-06","2110-DR-R2":"4.52E-06","2110-DR-R3":"4.52E-06","2110-C-R1":"4.52E-06","2110-C-R2":"4.52E-06","2110-C-R3":"4.52E-06","2110-ET-R1":"4.52E-06","2110-ET-R2":"4.52E-06","2110-ET-R3":"4.52E-06","4710-DR-R1":"0.000860196","4710-DR-R2":"0.000798654","4710-DR-R3":"0.000622069","4710-C-R1":"4.52E-06","4710-C-R2":"0.000397738","4710-C-R3":"0.000355713","4710-ET-R1":"4.52E-06","4710-ET-R2":"0.000229465","4710-ET-R3":"4.52E-06"},{"Metabolite":"U2067.8/259","2110-DR-R1":"0.00575808","2110-DR-R2":"0.006830265","2110-DR-R3":"0.008783664","2110-C-R1":"0.009281457","2110-C-R2":"0.006459269","2110-C-R3":"0.008084705","2110-ET-R1":"0.006852566","2110-ET-R2":"0.009260871","2110-ET-R3":"0.008657648","4710-DR-R1":"0.011728826","4710-DR-R2":"0.010310369","4710-DR-R3":"0.011562108","4710-C-R1":"0.00841758","4710-C-R2":"0.019995799","4710-C-R3":"0.01119813","4710-ET-R1":"0.00796482","4710-ET-R2":"0.012521799","4710-ET-R3":"0.01206915"},{"Metabolite":"U2106/245","2110-DR-R1":"0.000194298","2110-DR-R2":"0.000241173","2110-DR-R3":"0.000707625","2110-C-R1":"0.000626227","2110-C-R2":"0.000359937","2110-C-R3":"0.000579051","2110-ET-R1":"0.000518559","2110-ET-R2":"0.000563643","2110-ET-R3":"0.000424093","4710-DR-R1":"4.52E-06","4710-DR-R2":"0.000753357","4710-DR-R3":"0.000682028","4710-C-R1":"0.000479172","4710-C-R2":"0.001075426","4710-C-R3":"0.000485491","4710-ET-R1":"0.000736244","4710-ET-R2":"0.000821813","4710-ET-R3":"0.000388806"},{"Metabolite":"U2184.1/299","2110-DR-R1":"0.002082331","2110-DR-R2":"0.001745389","2110-DR-R3":"0.002559629","2110-C-R1":"0.002201731","2110-C-R2":"0.001441589","2110-C-R3":"0.001424954","2110-ET-R1":"0.00150416","2110-ET-R2":"0.001024086","2110-ET-R3":"0.001367794","4710-DR-R1":"0.003393072","4710-DR-R2":"0.002942114","4710-DR-R3":"0.004614522","4710-C-R1":"0.002173089","4710-C-R2":"0.004567806","4710-C-R3":"0.004402699","4710-ET-R1":"0.003906825","4710-ET-R2":"0.004901172","4710-ET-R3":"0.003303984"},{"Metabolite":"U2197.2/494","2110-DR-R1":"4.52E-06","2110-DR-R2":"0.000130992","2110-DR-R3":"4.52E-06","2110-C-R1":"4.52E-06","2110-C-R2":"4.52E-06","2110-C-R3":"4.52E-06","2110-ET-R1":"4.52E-06","2110-ET-R2":"4.52E-06","2110-ET-R3":"4.52E-06","4710-DR-R1":"0.000303465","4710-DR-R2":"0.000400243","4710-DR-R3":"0.000382586","4710-C-R1":"0.000217914","4710-C-R2":"0.000276338","4710-C-R3":"0.00017449","4710-ET-R1":"0.000195346","4710-ET-R2":"4.52E-06","4710-ET-R3":"0.000147726"},{"Metabolite":"U2206.2/299","2110-DR-R1":"0.097528462","2110-DR-R2":"0.109064751","2110-DR-R3":"0.144643785","2110-C-R1":"0.182310823","2110-C-R2":"0.106140502","2110-C-R3":"0.158529826","2110-ET-R1":"0.127547832","2110-ET-R2":"0.107708453","2110-ET-R3":"0.122401946","4710-DR-R1":"0.183410694","4710-DR-R2":"0.22225077","4710-DR-R3":"0.194399313","4710-C-R1":"0.124619554","4710-C-R2":"0.219205502","4710-C-R3":"0.136642102","4710-ET-R1":"0.183587618","4710-ET-R2":"0.160294699","4710-ET-R3":"0.12457798"},{"Metabolite":"U2229.8/204","2110-DR-R1":"4.52E-06","2110-DR-R2":"4.52E-06","2110-DR-R3":"4.52E-06","2110-C-R1":"4.52E-06","2110-C-R2":"4.52E-06","2110-C-R3":"4.52E-06","2110-ET-R1":"4.52E-06","2110-ET-R2":"4.52E-06","2110-ET-R3":"4.52E-06","4710-DR-R1":"0.000273898","4710-DR-R2":"0.000289628","4710-DR-R3":"0.000357123","4710-C-R1":"4.52E-06","4710-C-R2":"4.52E-06","4710-C-R3":"4.52E-06","4710-ET-R1":"4.52E-06","4710-ET-R2":"4.52E-06","4710-ET-R3":"4.52E-06"},{"Metabolite":"U2279.8/290","2110-DR-R1":"0.00053401","2110-DR-R2":"0.000820761","2110-DR-R3":"0.000498203","2110-C-R1":"4.52E-06","2110-C-R2":"0.00026131","2110-C-R3":"0.000432512","2110-ET-R1":"0.000197425","2110-ET-R2":"0.000225538","2110-ET-R3":"0.000201787","4710-DR-R1":"0.00105236","4710-DR-R2":"0.00114673","4710-DR-R3":"0.001439857","4710-C-R1":"0.000591158","4710-C-R2":"0.000578439","4710-C-R3":"0.000506613","4710-ET-R1":"0.000510954","4710-ET-R2":"0.000484277","4710-ET-R3":"0.000371396"},{"Metabolite":"U2302.4/292","2110-DR-R1":"0.002339724","2110-DR-R2":"0.003699316","2110-DR-R3":"0.002724789","2110-C-R1":"0.002074197","2110-C-R2":"0.001727966","2110-C-R3":"0.003178127","2110-ET-R1":"0.001072112","2110-ET-R2":"0.000888954","2110-ET-R3":"0.002054672","4710-DR-R1":"0.004165832","4710-DR-R2":"0.004371325","4710-DR-R3":"0.0046905","4710-C-R1":"0.003100912","4710-C-R2":"0.004041746","4710-C-R3":"0.003697983","4710-ET-R1":"0.003196523","4710-ET-R2":"0.002189328","4710-ET-R3":"0.002759047"},{"Metabolite":"U2315.2/245","2110-DR-R1":"0.000512448","2110-DR-R2":"0.000471151","2110-DR-R3":"0.00046666","2110-C-R1":"0.000353142","2110-C-R2":"0.00045908","2110-C-R3":"0.000382442","2110-ET-R1":"0.00031458","2110-ET-R2":"0.000333041","2110-ET-R3":"0.000519428","4710-DR-R1":"0.000922191","4710-DR-R2":"0.000917613","4710-DR-R3":"0.00094568","4710-C-R1":"0.000253228","4710-C-R2":"0.001337616","4710-C-R3":"0.000903169","4710-ET-R1":"0.000353344","4710-ET-R2":"0.000550373","4710-ET-R3":"0.00057632"},{"Metabolite":"U2373.5/292","2110-DR-R1":"0.039737482","2110-DR-R2":"0.050186872","2110-DR-R3":"0.03910223","2110-C-R1":"0.042067468","2110-C-R2":"0.038209363","2110-C-R3":"0.042212371","2110-ET-R1":"0.034403679","2110-ET-R2":"0.03231149","2110-ET-R3":"0.035185096","4710-DR-R1":"0.062070497","4710-DR-R2":"0.069996395","4710-DR-R3":"0.069708286","4710-C-R1":"0.05246877","4710-C-R2":"0.072844211","4710-C-R3":"0.053984886","4710-ET-R1":"0.055330851","4710-ET-R2":"0.05672436","4710-ET-R3":"0.052650715"},{"Metabolite":"U2400.1/179","2110-DR-R1":"0.001514563","2110-DR-R2":"0.000173627","2110-DR-R3":"4.52E-06","2110-C-R1":"0.000260879","2110-C-R2":"4.52E-06","2110-C-R3":"4.52E-06","2110-ET-R1":"0.000956634","2110-ET-R2":"0.002438051","2110-ET-R3":"0.00111033","4710-DR-R1":"4.52E-06","4710-DR-R2":"4.52E-06","4710-DR-R3":"4.52E-06","4710-C-R1":"4.52E-06","4710-C-R2":"4.52E-06","4710-C-R3":"0.000774941","4710-ET-R1":"0.000423148","4710-ET-R2":"0.000242584","4710-ET-R3":"0.000143378"},{"Metabolite":"U2473.7/259","2110-DR-R1":"0.001350907","2110-DR-R2":"0.001130723","2110-DR-R3":"0.002043667","2110-C-R1":"0.000666991","2110-C-R2":"0.000880325","2110-C-R3":"0.001203893","2110-ET-R1":"0.001242054","2110-ET-R2":"0.001438171","2110-ET-R3":"0.001798402","4710-DR-R1":"0.00357795","4710-DR-R2":"0.003559308","4710-DR-R3":"0.0041581","4710-C-R1":"0.001118432","4710-C-R2":"0.002094444","4710-C-R3":"0.002564534","4710-ET-R1":"0.001930963","4710-ET-R2":"0.00137284","4710-ET-R3":"0.00261153"},{"Metabolite":"U2493.7/204","2110-DR-R1":"0.008442156","2110-DR-R2":"0.008172598","2110-DR-R3":"0.012572441","2110-C-R1":"0.011369323","2110-C-R2":"0.006998586","2110-C-R3":"0.007600381","2110-ET-R1":"0.008919776","2110-ET-R2":"0.007886249","2110-ET-R3":"0.007705919","4710-DR-R1":"0.008717162","4710-DR-R2":"0.010547667","4710-DR-R3":"0.010622223","4710-C-R1":"0.008068441","4710-C-R2":"0.010491759","4710-C-R3":"0.00902348","4710-ET-R1":"0.008548639","4710-ET-R2":"0.010547539","4710-ET-R3":"0.009466969"},{"Metabolite":"U2499.5/363","2110-DR-R1":"0.000890502","2110-DR-R2":"0.001103465","2110-DR-R3":"0.000894492","2110-C-R1":"0.000297134","2110-C-R2":"0.001376983","2110-C-R3":"0.000848248","2110-ET-R1":"0.000490319","2110-ET-R2":"0.001422941","2110-ET-R3":"0.001195097","4710-DR-R1":"0.002396666","4710-DR-R2":"0.002079208","4710-DR-R3":"0.002083481","4710-C-R1":"0.000755791","4710-C-R2":"0.000968756","4710-C-R3":"0.000753702","4710-ET-R1":"0.00184929","4710-ET-R2":"0.00173696","4710-ET-R3":"0.00136457"},{"Metabolite":"U2501.4/321","2110-DR-R1":"0.004974166","2110-DR-R2":"0.005495568","2110-DR-R3":"0.004168288","2110-C-R1":"0.005474024","2110-C-R2":"0.004601747","2110-C-R3":"0.004241437","2110-ET-R1":"0.004470191","2110-ET-R2":"0.004180757","2110-ET-R3":"0.004283926","4710-DR-R1":"0.013255964","4710-DR-R2":"0.01334862","4710-DR-R3":"0.013281496","4710-C-R1":"0.007232508","4710-C-R2":"0.009349759","4710-C-R3":"0.00923389","4710-ET-R1":"0.009092515","4710-ET-R2":"0.007219744","4710-ET-R3":"0.008251682"},{"Metabolite":"U2507.8/321","2110-DR-R1":"0.002724224","2110-DR-R2":"4.52E-06","2110-DR-R3":"0.005420087","2110-C-R1":"0.002886343","2110-C-R2":"4.52E-06","2110-C-R3":"4.52E-06","2110-ET-R1":"4.52E-06","2110-ET-R2":"4.52E-06","2110-ET-R3":"4.52E-06","4710-DR-R1":"0.00370823","4710-DR-R2":"0.007314101","4710-DR-R3":"0.004562621","4710-C-R1":"0.004409249","4710-C-R2":"0.004832782","4710-C-R3":"0.003730439","4710-ET-R1":"4.52E-06","4710-ET-R2":"0.00372216","4710-ET-R3":"0.003466374"},{"Metabolite":"U2522.9/437","2110-DR-R1":"0.005806766","2110-DR-R2":"0.005444385","2110-DR-R3":"0.00590377","2110-C-R1":"0.015255465","2110-C-R2":"0.004882379","2110-C-R3":"0.008159819","2110-ET-R1":"0.006306289","2110-ET-R2":"0.004519802","2110-ET-R3":"0.006894424","4710-DR-R1":"0.001754553","4710-DR-R2":"0.008358295","4710-DR-R3":"0.010357136","4710-C-R1":"0.005443343","4710-C-R2":"0.004554752","4710-C-R3":"0.011744488","4710-ET-R1":"0.007928497","4710-ET-R2":"0.006675638","4710-ET-R3":"0.009809189"},{"Metabolite":"U2541.2/437","2110-DR-R1":"0.001752276","2110-DR-R2":"0.000749593","2110-DR-R3":"0.002112176","2110-C-R1":"0.001899035","2110-C-R2":"0.001267769","2110-C-R3":"0.00185176","2110-ET-R1":"0.001028322","2110-ET-R2":"0.002795265","2110-ET-R3":"0.001230516","4710-DR-R1":"0.002346078","4710-DR-R2":"0.001923377","4710-DR-R3":"0.001481475","4710-C-R1":"0.000407962","4710-C-R2":"0.000689519","4710-C-R3":"0.001988752","4710-ET-R1":"0.001779192","4710-ET-R2":"0.00165029","4710-ET-R3":"0.000674619"},{"Metabolite":"U2550.4/219(sug)","2110-DR-R1":"7.76381E-05","2110-DR-R2":"3.33333E-05","2110-DR-R3":"4.52322E-06","2110-C-R1":"4.52E-06","2110-C-R2":"9.20423E-06","2110-C-R3":"2.38875E-05","2110-ET-R1":"1.82689E-05","2110-ET-R2":"3.31058E-05","2110-ET-R3":"5.10369E-05","4710-DR-R1":"1.55295E-05","4710-DR-R2":"3.65854E-05","4710-DR-R3":"6.86755E-05","4710-C-R1":"3.99389E-05","4710-C-R2":"5.71697E-05","4710-C-R3":"0.00010243","4710-ET-R1":"6.45976E-05","4710-ET-R2":"4.52E-06","4710-ET-R3":"4.84258E-05"},{"Metabolite":"U2593.5/289","2110-DR-R1":"0.029424568","2110-DR-R2":"0.032816675","2110-DR-R3":"0.042680509","2110-C-R1":"0.077970732","2110-C-R2":"0.034737162","2110-C-R3":"0.051031144","2110-ET-R1":"0.041364921","2110-ET-R2":"0.027118524","2110-ET-R3":"0.039648489","4710-DR-R1":"0.046930806","4710-DR-R2":"0.049384735","4710-DR-R3":"0.047881377","4710-C-R1":"0.030901508","4710-C-R2":"0.031237155","4710-C-R3":"0.061640958","4710-ET-R1":"0.055610131","4710-ET-R2":"0.046247348","4710-ET-R3":"0.053191104"},{"Metabolite":"U2659.3/204","2110-DR-R1":"4.52E-06","2110-DR-R2":"4.52E-06","2110-DR-R3":"4.52E-06","2110-C-R1":"4.52E-06","2110-C-R2":"4.52E-06","2110-C-R3":"4.52E-06","2110-ET-R1":"4.52E-06","2110-ET-R2":"0.001393418","2110-ET-R3":"4.52E-06","4710-DR-R1":"0.001834102","4710-DR-R2":"0.002299313","4710-DR-R3":"0.001992863","4710-C-R1":"0.001388663","4710-C-R2":"0.002247275","4710-C-R3":"4.52E-06","4710-ET-R1":"0.001601464","4710-ET-R2":"0.003108991","4710-ET-R3":"4.52E-06"},{"Metabolite":"U2701/361","2110-DR-R1":"0.000238318","2110-DR-R2":"0.000976297","2110-DR-R3":"0.001767429","2110-C-R1":"0.000407587","2110-C-R2":"0.000258685","2110-C-R3":"0.00165144","2110-ET-R1":"0.000396068","2110-ET-R2":"0.000584664","2110-ET-R3":"0.000930576","4710-DR-R1":"0.001815803","4710-DR-R2":"0.002153164","4710-DR-R3":"0.002675467","4710-C-R1":"0.000988471","4710-C-R2":"0.001895107","4710-C-R3":"0.00260862","4710-ET-R1":"0.001617546","4710-ET-R2":"0.001986088","4710-ET-R3":"0.0022358"},{"Metabolite":"U2723/361","2110-DR-R1":"0.000486964","2110-DR-R2":"0.000477172","2110-DR-R3":"0.000944018","2110-C-R1":"0.001494859","2110-C-R2":"0.000944859","2110-C-R3":"0.0013371","2110-ET-R1":"0.000701586","2110-ET-R2":"0.000981384","2110-ET-R3":"0.000623994","4710-DR-R1":"0.002143534","4710-DR-R2":"0.0017347","4710-DR-R3":"0.002183487","4710-C-R1":"0.001022583","4710-C-R2":"0.001961332","4710-C-R3":"0.001835805","4710-ET-R1":"0.001659823","4710-ET-R2":"0.001755386","4710-ET-R3":"0.001946803"},{"Metabolite":"U2729.1/553","2110-DR-R1":"0.002532302","2110-DR-R2":"0.003597967","2110-DR-R3":"0.002964585","2110-C-R1":"0.00373332","2110-C-R2":"0.002248455","2110-C-R3":"0.003018019","2110-ET-R1":"0.00290885","2110-ET-R2":"0.00262904","2110-ET-R3":"0.002851634","4710-DR-R1":"0.003149272","4710-DR-R2":"4.52E-06","4710-DR-R3":"4.52E-06","4710-C-R1":"0.002188063","4710-C-R2":"4.52E-06","4710-C-R3":"0.002145281","4710-ET-R1":"0.002981183","4710-ET-R2":"0.003449391","4710-ET-R3":"0.005748977"},{"Metabolite":"U2803.7/204(479)","2110-DR-R1":"0.100196734","2110-DR-R2":"0.076550929","2110-DR-R3":"0.081488747","2110-C-R1":"0.177095632","2110-C-R2":"0.058052057","2110-C-R3":"0.070034317","2110-ET-R1":"0.103344337","2110-ET-R2":"0.120716087","2110-ET-R3":"0.078748003","4710-DR-R1":"0.082237966","4710-DR-R2":"0.051546362","4710-DR-R3":"0.126471209","4710-C-R1":"0.039660548","4710-C-R2":"0.052512578","4710-C-R3":"0.069235637","4710-ET-R1":"0.071771947","4710-ET-R2":"0.08434132","4710-ET-R3":"0.121129949"},{"Metabolite":"U2805.3/191","2110-DR-R1":"0.002520727","2110-DR-R2":"0.004706759","2110-DR-R3":"0.004783637","2110-C-R1":"0.002281015","2110-C-R2":"0.00320776","2110-C-R3":"0.004890968","2110-ET-R1":"0.003852397","2110-ET-R2":"0.004287568","2110-ET-R3":"0.004868209","4710-DR-R1":"0.003194676","4710-DR-R2":"0.004500521","4710-DR-R3":"0.003620356","4710-C-R1":"0.003627163","4710-C-R2":"0.004069333","4710-C-R3":"0.002022686","4710-ET-R1":"0.00665099","4710-ET-R2":"0.00468042","4710-ET-R3":"0.002878956"},{"Metabolite":"U2829.4/479","2110-DR-R1":"0.041146057","2110-DR-R2":"0.049741625","2110-DR-R3":"0.044970896","2110-C-R1":"0.055182929","2110-C-R2":"0.030159033","2110-C-R3":"0.045092914","2110-ET-R1":"0.055218285","2110-ET-R2":"0.039610147","2110-ET-R3":"0.049684692","4710-DR-R1":"0.03452721","4710-DR-R2":"0.034535032","4710-DR-R3":"0.045345404","4710-C-R1":"0.030313978","4710-C-R2":"0.033122492","4710-C-R3":"0.027719122","4710-ET-R1":"0.055886378","4710-ET-R2":"0.037279212","4710-ET-R3":"0.041004934"},{"Metabolite":"U2834.5/204","2110-DR-R1":"0.029198554","2110-DR-R2":"0.029355033","2110-DR-R3":"0.029319527","2110-C-R1":"0.033794202","2110-C-R2":"0.0180868","2110-C-R3":"0.025300709","2110-ET-R1":"0.026962365","2110-ET-R2":"0.025821219","2110-ET-R3":"0.029149266","4710-DR-R1":"0.02946451","4710-DR-R2":"0.020928522","4710-DR-R3":"0.041549737","4710-C-R1":"0.016535021","4710-C-R2":"0.01134797","4710-C-R3":"0.019028511","4710-ET-R1":"0.025247217","4710-ET-R2":"0.019258107","4710-ET-R3":"0.030881792"},{"Metabolite":"U2841.2/361","2110-DR-R1":"4.52E-06","2110-DR-R2":"4.52E-06","2110-DR-R3":"4.52E-06","2110-C-R1":"4.52E-06","2110-C-R2":"4.52E-06","2110-C-R3":"0.005525011","2110-ET-R1":"4.52E-06","2110-ET-R2":"4.52E-06","2110-ET-R3":"4.52E-06","4710-DR-R1":"4.52E-06","4710-DR-R2":"0.012131012","4710-DR-R3":"0.013061178","4710-C-R1":"0.005876144","4710-C-R2":"0.011489546","4710-C-R3":"0.009778427","4710-ET-R1":"0.003116922","4710-ET-R2":"0.010196649","4710-ET-R3":"0.008841319"},{"Metabolite":"U2872.3/361","2110-DR-R1":"0.008324717","2110-DR-R2":"0.008700037","2110-DR-R3":"0.004128974","2110-C-R1":"0.003128091","2110-C-R2":"0.00211472","2110-C-R3":"0.004202204","2110-ET-R1":"0.003179168","2110-ET-R2":"0.0036294","2110-ET-R3":"0.003216833","4710-DR-R1":"0.012162524","4710-DR-R2":"0.011992532","4710-DR-R3":"0.011481426","4710-C-R1":"0.00289273","4710-C-R2":"0.004424266","4710-C-R3":"0.004805834","4710-ET-R1":"0.007893815","4710-ET-R2":"0.009332861","4710-ET-R3":"0.004671889"},{"Metabolite":"U2910.9/433","2110-DR-R1":"0.071811236","2110-DR-R2":"0.10312585","2110-DR-R3":"0.105922372","2110-C-R1":"0.106429015","2110-C-R2":"0.085503526","2110-C-R3":"0.113720352","2110-ET-R1":"0.140094723","2110-ET-R2":"0.111478859","2110-ET-R3":"0.139454649","4710-DR-R1":"0.066568229","4710-DR-R2":"0.072591281","4710-DR-R3":"0.064926739","4710-C-R1":"0.078975218","4710-C-R2":"0.097069303","4710-C-R3":"0.056536908","4710-ET-R1":"0.135175397","4710-ET-R2":"0.105030577","4710-ET-R3":"0.088963423"},{"Metabolite":"U2922.1/251","2110-DR-R1":"4.52E-06","2110-DR-R2":"0.00013081","2110-DR-R3":"0.000621247","2110-C-R1":"4.52E-06","2110-C-R2":"0.000403629","2110-C-R3":"0.000679607","2110-ET-R1":"0.000182187","2110-ET-R2":"0.000283576","2110-ET-R3":"0.001306541","4710-DR-R1":"0.0006905","4710-DR-R2":"0.000180334","4710-DR-R3":"0.000321368","4710-C-R1":"0.000785384","4710-C-R2":"0.000846431","4710-C-R3":"0.000605584","4710-ET-R1":"0.000694711","4710-ET-R2":"0.000546359","4710-ET-R3":"0.00011796"},{"Metabolite":"U2932.3/204(479)","2110-DR-R1":"0.081344269","2110-DR-R2":"0.077410293","2110-DR-R3":"0.085494989","2110-C-R1":"0.123546115","2110-C-R2":"0.057256075","2110-C-R3":"0.06986191","2110-ET-R1":"0.100328852","2110-ET-R2":"0.099281718","2110-ET-R3":"0.088204376","4710-DR-R1":"0.074675919","4710-DR-R2":"0.053786737","4710-DR-R3":"0.096278044","4710-C-R1":"0.046231357","4710-C-R2":"0.058765655","4710-C-R3":"0.055801688","4710-ET-R1":"0.077918769","4710-ET-R2":"0.075465431","4710-ET-R3":"0.089545151"},{"Metabolite":"U3005.1/204","2110-DR-R1":"0.002202854","2110-DR-R2":"0.004603895","2110-DR-R3":"0.002429241","2110-C-R1":"0.00113562","2110-C-R2":"0.001979492","2110-C-R3":"0.002235037","2110-ET-R1":"0.002502701","2110-ET-R2":"0.00168563","2110-ET-R3":"0.002193325","4710-DR-R1":"0.003565374","4710-DR-R2":"0.005561509","4710-DR-R3":"0.003351608","4710-C-R1":"0.002326687","4710-C-R2":"0.002883182","4710-C-R3":"0.001279948","4710-ET-R1":"0.002934534","4710-ET-R2":"0.002840264","4710-ET-R3":"0.001840453"},{"Metabolite":"U3032.5/204","2110-DR-R1":"0.003126445","2110-DR-R2":"4.52E-06","2110-DR-R3":"0.006939141","2110-C-R1":"0.005507704","2110-C-R2":"0.002926371","2110-C-R3":"4.52E-06","2110-ET-R1":"0.003910874","2110-ET-R2":"0.003767002","2110-ET-R3":"4.52E-06","4710-DR-R1":"0.008294095","4710-DR-R2":"0.005949688","4710-DR-R3":"0.006625833","4710-C-R1":"0.003766133","4710-C-R2":"4.52E-06","4710-C-R3":"0.005694247","4710-ET-R1":"0.005285776","4710-ET-R2":"0.005660421","4710-ET-R3":"0.004593529"},{"Metabolite":"U3054.3/204","2110-DR-R1":"0.003933962","2110-DR-R2":"0.003389626","2110-DR-R3":"0.006176622","2110-C-R1":"0.010382148","2110-C-R2":"0.01340136","2110-C-R3":"0.007710315","2110-ET-R1":"0.004189876","2110-ET-R2":"0.003608507","2110-ET-R3":"0.006269759","4710-DR-R1":"0.013755071","4710-DR-R2":"0.011076426","4710-DR-R3":"0.013945268","4710-C-R1":"0.008255127","4710-C-R2":"0.027844708","4710-C-R3":"0.021199709","4710-ET-R1":"0.007427408","4710-ET-R2":"0.007612182","4710-ET-R3":"0.009724814"},{"Metabolite":"U3110.1/433","2110-DR-R1":"0.001082424","2110-DR-R2":"0.001802893","2110-DR-R3":"0.001261509","2110-C-R1":"0.003163723","2110-C-R2":"0.000820364","2110-C-R3":"0.001829337","2110-ET-R1":"0.002058937","2110-ET-R2":"0.00122389","2110-ET-R3":"0.001871151","4710-DR-R1":"0.004438513","4710-DR-R2":"0.006900023","4710-DR-R3":"0.004169221","4710-C-R1":"0.002036932","4710-C-R2":"0.003263163","4710-C-R3":"0.002704787","4710-ET-R1":"0.003971638","4710-ET-R2":"0.003348405","4710-ET-R3":"0.003337429"},{"Metabolite":"U3272.7/361(trisaccharide)","2110-DR-R1":"0.187809543","2110-DR-R2":"0.209437129","2110-DR-R3":"0.26781191","2110-C-R1":"0.243579771","2110-C-R2":"0.201336528","2110-C-R3":"0.267971351","2110-ET-R1":"0.210078023","2110-ET-R2":"0.198360282","2110-ET-R3":"0.194574513","4710-DR-R1":"0.237397777","4710-DR-R2":"0.263342648","4710-DR-R3":"0.264833549","4710-C-R1":"0.186625239","4710-C-R2":"0.193629469","4710-C-R3":"0.210224224","4710-ET-R1":"0.244770777","4710-ET-R2":"0.193891753","4710-ET-R3":"0.16883113"},{"Metabolite":"U3442.3/361","2110-DR-R1":"0.001722084","2110-DR-R2":"0.002316598","2110-DR-R3":"0.00281879","2110-C-R1":"0.003693597","2110-C-R2":"0.002658772","2110-C-R3":"0.005172827","2110-ET-R1":"0.004594913","2110-ET-R2":"0.00403324","2110-ET-R3":"0.004270657","4710-DR-R1":"0.005511841","4710-DR-R2":"0.003671386","4710-DR-R3":"0.003521446","4710-C-R1":"0.002196934","4710-C-R2":"0.007693324","4710-C-R3":"0.007573464","4710-ET-R1":"0.005493977","4710-ET-R2":"0.004017913","4710-ET-R3":"0.004869552"},{"Metabolite":"U3471.6/361","2110-DR-R1":"4.52E-06","2110-DR-R2":"0.000170928","2110-DR-R3":"0.000167677","2110-C-R1":"0.000503255","2110-C-R2":"0.000169943","2110-C-R3":"0.001129338","2110-ET-R1":"7.40831E-05","2110-ET-R2":"0.000158237","2110-ET-R3":"0.00025545","4710-DR-R1":"0.000973236","4710-DR-R2":"0.000615899","4710-DR-R3":"0.000921352","4710-C-R1":"0.000383719","4710-C-R2":"0.003295808","4710-C-R3":"0.000947173","4710-ET-R1":"0.001110299","4710-ET-R2":"0.000807283","4710-ET-R3":"0.000706201"},{"Metabolite":"U3477.2/361","2110-DR-R1":"7.52241E-05","2110-DR-R2":"0.000398282","2110-DR-R3":"0.000391936","2110-C-R1":"0.000790829","2110-C-R2":"0.000346394","2110-C-R3":"0.000834407","2110-ET-R1":"0.000927145","2110-ET-R2":"0.000140832","2110-ET-R3":"0.001652616","4710-DR-R1":"0.001574572","4710-DR-R2":"0.001421406","4710-DR-R3":"0.002185464","4710-C-R1":"0.0002651","4710-C-R2":"0.000900311","4710-C-R3":"0.000561641","4710-ET-R1":"0.001565974","4710-ET-R2":"0.000877072","4710-ET-R3":"0.000614012"},{"Metabolite":"U3701/368","2110-DR-R1":"0.000346387","2110-DR-R2":"0.000537839","2110-DR-R3":"4.52E-06","2110-C-R1":"4.52E-06","2110-C-R2":"4.52E-06","2110-C-R3":"0.000668818","2110-ET-R1":"4.52E-06","2110-ET-R2":"4.52E-06","2110-ET-R3":"8.13518E-05","4710-DR-R1":"0.000738939","4710-DR-R2":"0.001107922","4710-DR-R3":"0.00059133","4710-C-R1":"0.000880378","4710-C-R2":"0.002172607","4710-C-R3":"0.002050754","4710-ET-R1":"0.000651393","4710-ET-R2":"0.000381878","4710-ET-R3":"0.000426069"},{"Metabolite":"Uridine","2110-DR-R1":"0.004202669","2110-DR-R2":"0.006097103","2110-DR-R3":"0.006756687","2110-C-R1":"0.009254484","2110-C-R2":"0.009654193","2110-C-R3":"0.008614378","2110-ET-R1":"0.009468806","2110-ET-R2":"0.007560641","2110-ET-R3":"0.012450432","4710-DR-R1":"0.011434944","4710-DR-R2":"0.007960042","4710-DR-R3":"0.009014794","4710-C-R1":"0.012688533","4710-C-R2":"0.013743174","4710-C-R3":"0.008510205","4710-ET-R1":"0.015438436","4710-ET-R2":"0.010593026","4710-ET-R3":"0.012292498"},{"Metabolite":"Valine","2110-DR-R1":"1.186782185","2110-DR-R2":"1.078834586","2110-DR-R3":"1.11429152","2110-C-R1":"0.809118434","2110-C-R2":"0.6905705","2110-C-R3":"0.898800235","2110-ET-R1":"0.720773805","2110-ET-R2":"0.781121343","2110-ET-R3":"0.740631227","4710-DR-R1":"1.910952319","4710-DR-R2":"1.092249683","4710-DR-R3":"1.188072141","4710-C-R1":"0.740336085","4710-C-R2":"0.878054369","4710-C-R3":"0.98502497","4710-ET-R1":"0.757934416","4710-ET-R2":"0.768464558","4710-ET-R3":"0.804584192"},{"Metabolite":"Xylitol","2110-DR-R1":"0.073936489","2110-DR-R2":"0.085177572","2110-DR-R3":"0.091528108","2110-C-R1":"0.141416035","2110-C-R2":"0.170530685","2110-C-R3":"0.205168752","2110-ET-R1":"0.123011161","2110-ET-R2":"0.125178797","2110-ET-R3":"0.123643616","4710-DR-R1":"0.098661846","4710-DR-R2":"0.088924187","4710-DR-R3":"0.057625681","4710-C-R1":"0.126729543","4710-C-R2":"0.15635417","4710-C-R3":"0.312763147","4710-ET-R1":"0.133036483","4710-ET-R2":"0.096636786","4710-ET-R3":"0.166094384"},{"Metabolite":"Xylose","2110-DR-R1":"0.045091756","2110-DR-R2":"0.048315083","2110-DR-R3":"0.037640856","2110-C-R1":"0.043785394","2110-C-R2":"0.040158236","2110-C-R3":"0.040398243","2110-ET-R1":"0.0373715","2110-ET-R2":"0.025022421","2110-ET-R3":"0.029790768","4710-DR-R1":"0.045209578","4710-DR-R2":"0.060941598","4710-DR-R3":"0.045729435","4710-C-R1":"0.038508497","4710-C-R2":"0.05444445","4710-C-R3":"0.037800882","4710-ET-R1":"0.049711543","4710-ET-R2":"0.027516346","4710-ET-R3":"0.046956092"}],

"Metabolites":[{"Metabolite":"2,4-Dihydroxybutanoic acid","unit":"arbitrary/mg DW","metabolite_fullname":"2-4-dihydroxybutanoate!1416.5/219_OA","RI":"1416.5","characteristic_m/z":"219","PubChem_CID":"192742","Software":"AMDIS","Mode":"Splitless"},{"Metabolite":"2-Aminobutyric acid","unit":"arbitrary/mg DW","metabolite_fullname":"alphaaminobutyrate!1173.1/130_AA","RI":"1173.1","characteristic_m/z":"130","PubChem_CID":"6657","Software":"AMDIS","Mode":"Splitless"},{"Metabolite":"3-Aminoisobutanoic acid","unit":"nmoles/mg DW","metabolite_fullname":"b-aminoisobutyrate$sum!sum_AA","RI":"sum","characteristic_m/z":"","PubChem_CID":"64956","Software":"TargetLynx","Mode":"Splitless"},{"Metabolite":"3-indoleacetonitrile","unit":"arbitrary/mg DW","metabolite_fullname":"beta-indole-3-acetonitrile!1875.1/228_OTHER","RI":"1875.1","characteristic_m/z":"228","PubChem_CID":"351795","Software":"TargetLynx","Mode":"Splitless"},{"Metabolite":"Adenine","unit":"nmoles/mg DW","metabolite_fullname":"Adenine-1!1867.7/264_OTHER","RI":"1867.7","characteristic_m/z":"264","PubChem_CID":"190","Software":"TargetLynx","Mode":"Splitless"},{"Metabolite":"Agmatine","unit":"nmoles/mg DW","metabolite_fullname":"Agmatine(-NH3)!1743.7/174_OTHER","RI":"1743.7","characteristic_m/z":"174","PubChem_CID":"199","Software":"TargetLynx","Mode":"Splitless"},{"Metabolite":"Alanine","unit":"nmoles/mg DW","metabolite_fullname":"Alanine$2tms!1079.5/116_AA","RI":"1079.5","characteristic_m/z":"116","PubChem_CID":"5950","Software":"TargetLynx","Mode":"Split30"},{"Metabolite":"Allantoin","unit":"arbitrary/mg DW","metabolite_fullname":"Allantoin$sum!1963.3/331_OTHER","RI":"1963.3","characteristic_m/z":"331","PubChem_CID":"439714","Software":"AMDIS","Mode":"Splitless"},{"Metabolite":"alpha-Tocopherol","unit":"nmoles/mg DW","metabolite_fullname":"alpha-Tocopherol!3146.6/502.4_APO","RI":"3146.6","characteristic_m/z":"502.4","PubChem_CID":"14985","Software":"TargetLynx","Mode":"Splitless"},{"Metabolite":"Aminoadipic acid","unit":"nmoles/mg DW","metabolite_fullname":"a-Aminoadipate!1719.2/260_AA","RI":"1719.2","characteristic_m/z":"260","PubChem_CID":"469","Software":"TargetLynx","Mode":"Splitless"},{"Metabolite":"Arabinose","unit":"nmoles/mg DW","metabolite_fullname":"Arabinose!1662.9/307_SUG","RI":"1662.9","characteristic_m/z":"307","PubChem_CID":"66308","Software":"TargetLynx","Mode":"Splitless"},{"Metabolite":"Arabitol","unit":"nmoles/mg DW","metabolite_fullname":"Arabitol!1726.8/319_OTHER","RI":"1726.8","characteristic_m/z":"319","PubChem_CID":"94154","Software":"TargetLynx","Mode":"Splitless"},{"Metabolite":"Arginine","unit":"nmoles/mg DW","metabolite_fullname":"Arg$sum!sum_AA","RI":"sum","characteristic_m/z":"","PubChem_CID":"6322","Software":"TargetLynx","Mode":"Splitless"},{"Metabolite":"Asparagine","unit":"nmoles/mg DW","metabolite_fullname":"Asn$sum!sum_AA","RI":"sum","characteristic_m/z":"","PubChem_CID":"6267","Software":"TargetLynx","Mode":"Splitless"},{"Metabolite":"Aspartic acid","unit":"nmoles/mg DW","metabolite_fullname":"Aspartate$3tms!1515.6/232_AA","RI":"1515.6","characteristic_m/z":"232","PubChem_CID":"5960","Software":"TargetLynx","Mode":"Splitless"},{"Metabolite":"beta-Alanine","unit":"nmoles/mg DW","metabolite_fullname":"beta-Alanine$sum!sum_AA","RI":"sum","characteristic_m/z":"","PubChem_CID":"239","Software":"TargetLynx","Mode":"Splitless"},{"Metabolite":"Campesterol","unit":"nmoles/mg DW","metabolite_fullname":"Campesterol!3262.1/382_APO","RI":"3262.1","characteristic_m/z":"382","PubChem_CID":"173183","Software":"TargetLynx","Mode":"Splitless"},{"Metabolite":"Catechin","unit":"arbitrary/mg DW","metabolite_fullname":"Catechin!2871.3/368_FLAVO","RI":"2871.3","characteristic_m/z":"368","PubChem_CID":"9064","Software":"AMDIS","Mode":"Splitless"},{"Metabolite":"Citric acid","unit":"nmoles/mg DW","metabolite_fullname":"Citrate!1819.8/273_OA","RI":"1819.8","characteristic_m/z":"273","PubChem_CID":"311","Software":"TargetLynx","Mode":"Splitless"},{"Metabolite":"Cysteine","unit":"nmoles/mg DW","metabolite_fullname":"Cystein$1!1556.7/220_AA","RI":"1556.7","characteristic_m/z":"220","PubChem_CID":"5862","Software":"TargetLynx","Mode":"Splitless"},{"Metabolite":"D-Malic acid","unit":"nmoles/mg DW","metabolite_fullname":"Malate!1483.7/133_OA","RI":"1483.7","characteristic_m/z":"133","PubChem_CID":"92824","Software":"TargetLynx","Mode":"Splitless"},{"Metabolite":"Erythritol","unit":"nmoles/mg DW","metabolite_fullname":"Erythritol!1500/205_OTHER","RI":"1500","characteristic_m/z":"205","PubChem_CID":"222285","Software":"TargetLynx","Mode":"Splitless"},{"Metabolite":"Erythronic acid","unit":"arbitrary/mg DW","metabolite_fullname":"Erythronate!1538.6/292_OA","RI":"1538.6","characteristic_m/z":"292","PubChem_CID":"2781043","Software":"TargetLynx","Mode":"Splitless"},{"Metabolite":"Ethanolamine","unit":"nmoles/mg DW","metabolite_fullname":"Ethanolamine$3tms!1269.8/174_OTHER","RI":"1269.8","characteristic_m/z":"174","PubChem_CID":"700","Software":"TargetLynx","Mode":"Splitless"},{"Metabolite":"Fructose","unit":"nmoles/mg DW","metabolite_fullname":"Fructose$meox1!1870.2/307_SUG","RI":"1870.2","characteristic_m/z":"307","PubChem_CID":"5984","Software":"TargetLynx","Mode":"Splitless"},{"Metabolite":"Fumaric acid","unit":"nmoles/mg DW","metabolite_fullname":"Fumarate!1358.8/143_OA","RI":"1358.8","characteristic_m/z":"143","PubChem_CID":"444972","Software":"TargetLynx","Mode":"Splitless"},{"Metabolite":"Galactinol","unit":"nmoles/mg DW","metabolite_fullname":"Galactinol$1!2992.0/433_SUG","RI":"2992","characteristic_m/z":"433","PubChem_CID":"11727586","Software":"TargetLynx","Mode":"Splitless"},{"Metabolite":"Galactonic acid","unit":"nmoles/mg DW","metabolite_fullname":"Galactonate!1996.4/292_OA","RI":"1996.4","characteristic_m/z":"292","PubChem_CID":"128869","Software":"TargetLynx","Mode":"Splitless"},{"Metabolite":"Galactose","unit":"nmoles/mg DW","metabolite_fullname":"Galactose$meox1!1880.7/319_SUG","RI":"1880.7","characteristic_m/z":"319","PubChem_CID":"6036","Software":"TargetLynx","Mode":"Splitless"},{"Metabolite":"Galactosylglycerol","unit":"arbitrary/mg DW","metabolite_fullname":"Digalactosylglycerol!3112.8/204_SUG","RI":"3112.8","characteristic_m/z":"204","PubChem_CID":"656504","Software":"TargetLynx","Mode":"Splitless"},{"Metabolite":"gamma-Aminobutyric acid","unit":"nmoles/mg DW","metabolite_fullname":"GABA$sum!sum_AA","RI":"sum","characteristic_m/z":"","PubChem_CID":"119","Software":"TargetLynx","Mode":"Splitless"},{"Metabolite":"gamma-Tocopherol","unit":"nmoles/mg DW","metabolite_fullname":"gamma-Tocopherol!3005.8/488_APO","RI":"3005.8","characteristic_m/z":"488","PubChem_CID":"92729","Software":"TargetLynx","Mode":"Splitless"},{"Metabolite":"Gluconic acid","unit":"nmoles/mg DW","metabolite_fullname":"Gluconate!2001.0/333_OA","RI":"2001","characteristic_m/z":"333","PubChem_CID":"10690","Software":"TargetLynx","Mode":"Splitless"},{"Metabolite":"Glucose","unit":"nmoles/mg DW","metabolite_fullname":"Glucose$meox1!1888.1/160_SUG","RI":"1888.1","characteristic_m/z":"160","PubChem_CID":"5793","Software":"TargetLynx","Mode":"Splitless"},{"Metabolite":"Glucose 6-phosphate","unit":"nmoles/mg DW","metabolite_fullname":"Glucose-6-P$meox1!2315.5/299_PHOSPHO","RI":"2315.5","characteristic_m/z":"299","PubChem_CID":"5958","Software":"TargetLynx","Mode":"Splitless"},{"Metabolite":"Glutamic acid","unit":"nmoles/mg DW","metabolite_fullname":"Glutamate$3tms!1622.2/246_AA","RI":"1622.2","characteristic_m/z":"246","PubChem_CID":"33032","Software":"TargetLynx","Mode":"Splitless"},{"Metabolite":"Glutamine","unit":"nmoles/mg DW","metabolite_fullname":"Gln$sum!sum_AA","RI":"sum","characteristic_m/z":"","PubChem_CID":"5961","Software":"TargetLynx","Mode":"Splitless"},{"Metabolite":"Glyceric acid","unit":"nmoles/mg DW","metabolite_fullname":"Glycerate!1337.5/292_OA","RI":"1337.5","characteristic_m/z":"292","PubChem_CID":"439194","Software":"TargetLynx","Mode":"Splitless"},{"Metabolite":"Glycine","unit":"nmoles/mg DW","metabolite_fullname":"Glycine$sum!sum_AA","RI":"sum","characteristic_m/z":"","PubChem_CID":"750","Software":"TargetLynx","Mode":"Splitless"},{"Metabolite":"Glycolic acid","unit":"nmoles/mg DW","metabolite_fullname":"Glycolate!1084.9/147_OA","RI":"1084.9","characteristic_m/z":"147","PubChem_CID":"757","Software":"AMDIS","Mode":"Splitless"},{"Metabolite":"Histidine","unit":"nmoles/mg DW","metabolite_fullname":"Histidine$sum!sum_AA","RI":"sum","characteristic_m/z":"","PubChem_CID":"6274","Software":"TargetLynx","Mode":"Splitless"},{"Metabolite":"Homoserine","unit":"arbitrary/mg DW","metabolite_fullname":"Homoserine!1451.4/218_AA","RI":"1451.4","characteristic_m/z":"218","PubChem_CID":"12647","Software":"TargetLynx","Mode":"Splitless"},{"Metabolite":"Inositol-Phosphate","unit":"arbitrary/mg DW","metabolite_fullname":"myo-Inositol-1-P!2427.7/299_PHOSPHO","RI":"2427.7","characteristic_m/z":"299","PubChem_CID":"440194","Software":"AMDIS","Mode":"Splitless"},{"Metabolite":"Isoleucine","unit":"nmoles/mg DW","metabolite_fullname":"Isoleucine$2tms!1300.3/158_AA","RI":"1300.3","characteristic_m/z":"158","PubChem_CID":"6306","Software":"TargetLynx","Mode":"Splitless"},{"Metabolite":"Isothiocyanoethylphosphate","unit":"arbitrary/mg DW","metabolite_fullname":"Isothiocyanoethylphosphate!1243.9/211_PHOSPHO","RI":"1243.9","characteristic_m/z":"211","PubChem_CID":"#N/A","Software":"AMDIS","Mode":"Splitless"},{"Metabolite":"L-Dehydroascorbic acid","unit":"arbitrary/mg DW","metabolite_fullname":"Dehydroascorbate$sum!sum_OA","RI":"sum","characteristic_m/z":"","PubChem_CID":"440667","Software":"TargetLynx","Mode":"Splitless"},{"Metabolite":"Leucine","unit":"nmoles/mg DW","metabolite_fullname":"Leucine$2tms!1278.9/158_AA","RI":"1278.9","characteristic_m/z":"158","PubChem_CID":"6106","Software":"TargetLynx","Mode":"Splitless"},{"Metabolite":"Linoleic acid","unit":"arbitrary/mg DW","metabolite_fullname":"Linoleic acid!2208.9/337_FA","RI":"2208.9","characteristic_m/z":"337","PubChem_CID":"5280450","Software":"TargetLynx","Mode":"Splitless"},{"Metabolite":"Lysine","unit":"nmoles/mg DW","metabolite_fullname":"Lys$sum!sum_AA","RI":"sum","characteristic_m/z":"","PubChem_CID":"5962","Software":"TargetLynx","Mode":"Splitless"},{"Metabolite":"Malonic acid","unit":"nmoles/mg DW","metabolite_fullname":"Malonate!1201.8/233_OA","RI":"1201.8","characteristic_m/z":"233","PubChem_CID":"867","Software":"TargetLynx","Mode":"Splitless"},{"Metabolite":"Maltose","unit":"nmoles/mg DW","metabolite_fullname":"Maltose$meox1!2731.2/160_SUG","RI":"2731.2","characteristic_m/z":"160","PubChem_CID":"439186","Software":"TargetLynx","Mode":"Splitless"},{"Metabolite":"Mannitol","unit":"nmoles/mg DW","metabolite_fullname":"Mannitol!1930.6/307_OTHER","RI":"1930.6","characteristic_m/z":"307","PubChem_CID":"6251","Software":"TargetLynx","Mode":"Splitless"},{"Metabolite":"Mannose","unit":"nmoles/mg DW","metabolite_fullname":"Mannose$meox1!1878.1/319_SUG","RI":"1878.1","characteristic_m/z":"319","PubChem_CID":"18950","Software":"TargetLynx","Mode":"Splitless"},{"Metabolite":"Methanolphosphate","unit":"arbitrary/mg DW","metabolite_fullname":"Monomethylphosphate!1176.5/241_PHOSPHO","RI":"1176.5","characteristic_m/z":"241","PubChem_CID":"13130","Software":"AMDIS","Mode":"Splitless"},{"Metabolite":"Methionine","unit":"nmoles/mg DW","metabolite_fullname":"Methionine$2tms!1515.7/176_AA","RI":"1515.7","characteristic_m/z":"176","PubChem_CID":"6137","Software":"TargetLynx","Mode":"Split30"},{"Metabolite":"MG 16:0","unit":"arbitrary/mg DW","metabolite_fullname":"Monopalmitine!2593.3/371_APO","RI":"2593.3","characteristic_m/z":"371","PubChem_CID":"14900","Software":"TargetLynx","Mode":"Splitless"},{"Metabolite":"MG 18:0","unit":"arbitrary/mg DW","metabolite_fullname":"Monostearin!2774/399_APO","RI":"2774","characteristic_m/z":"399","PubChem_CID":"24699","Software":"TargetLynx","Mode":"Splitless"},{"Metabolite":"MG 18:2","unit":"arbitrary/mg DW","metabolite_fullname":"Monolinolein!2751.1/395_APO","RI":"2751.1","characteristic_m/z":"395","PubChem_CID":"5283469","Software":"AMDIS","Mode":"Splitless"},{"Metabolite":"Myo-inositol","unit":"nmoles/mg DW","metabolite_fullname":"myo-Inositol!2086.7/318_OTHER","RI":"2086.7","characteristic_m/z":"318","PubChem_CID":"892","Software":"TargetLynx","Mode":"Splitless"},{"Metabolite":"Nicotinic acid","unit":"arbitrary/mg DW","metabolite_fullname":"Nicotinate!1302.4/180_OA","RI":"1302.4","characteristic_m/z":"180","PubChem_CID":"938","Software":"TargetLynx","Mode":"Splitless"},{"Metabolite":"Octadecatrienoic acid","unit":"arbitrary/mg DW","metabolite_fullname":"Linolenic acid!2214.4/335_FA","RI":"2214.4","characteristic_m/z":"335","PubChem_CID":"5280934","Software":"TargetLynx","Mode":"Splitless"},{"Metabolite":"Oxoglutaric acid","unit":"nmoles/mg DW","metabolite_fullname":"2-Oxoglutarate!1573.6/198_OA","RI":"1573.6","characteristic_m/z":"198","PubChem_CID":"51","Software":"TargetLynx","Mode":"Splitless"},{"Metabolite":"Pentonic acid","unit":"arbitrary/mg DW","metabolite_fullname":"Lyxonate!1759.1/292_OA","RI":"1759.1","characteristic_m/z":"292","PubChem_CID":"10264","Software":"AMDIS","Mode":"Splitless"},{"Metabolite":"Pentonic acid-4","unit":"arbitrary/mg DW","metabolite_fullname":"Pentonate-4!1782.9/292_OA","RI":"1782.9","characteristic_m/z":"292","PubChem_CID":"10264","Software":"AMDIS","Mode":"Splitless"},{"Metabolite":"Phenylalanine","unit":"nmoles/mg DW","metabolite_fullname":"Phenylalanine$sum!sum_AA","RI":"sum","characteristic_m/z":"","PubChem_CID":"6140","Software":"TargetLynx","Mode":"Splitless"},{"Metabolite":"Phosphoric acid","unit":"nmoles/mg DW","metabolite_fullname":"Phosphate!1274.7/299_PHOSPHO","RI":"1274.7","characteristic_m/z":"299","PubChem_CID":"1004","Software":"TargetLynx","Mode":"Splitless"},{"Metabolite":"Pipecolic acid","unit":"nmoles/mg DW","metabolite_fullname":"Pipecolate!1371.2/156_OA","RI":"1371.2","characteristic_m/z":"156","PubChem_CID":"439227","Software":"TargetLynx","Mode":"Splitless"},{"Metabolite":"Porphyrin-ring","unit":"arbitrary/mg DW","metabolite_fullname":"Porphine!1339/184_OTHER","RI":"1339","characteristic_m/z":"184","PubChem_CID":"5481287","Software":"AMDIS","Mode":"Splitless"},{"Metabolite":"Proline","unit":"nmoles/mg DW","metabolite_fullname":"Proline$2tms!1303.1/142_AA","RI":"1303.1","characteristic_m/z":"142","PubChem_CID":"145742","Software":"TargetLynx","Mode":"Splitless"},{"Metabolite":"Putrescine","unit":"nmoles/mg DW","metabolite_fullname":"Putrescine$sum!sum_OTHER","RI":"sum","characteristic_m/z":"","PubChem_CID":"1045","Software":"TargetLynx","Mode":"Splitless"},{"Metabolite":"Quinic acid","unit":"arbitrary/mg DW","metabolite_fullname":"Quinate!1857.9/345_OA","RI":"1857.9","characteristic_m/z":"345","PubChem_CID":"6508","Software":"AMDIS","Mode":"Splitless"},{"Metabolite":"Raffinose","unit":"nmoles/mg DW","metabolite_fullname":"Raffinose!3356.6/217_SUG","RI":"3356.6","characteristic_m/z":"217","PubChem_CID":"439242","Software":"TargetLynx","Mode":"Split30"},{"Metabolite":"Ribonic acid","unit":"arbitrary/mg DW","metabolite_fullname":"Ribonate$2!1759.4/333_OA","RI":"1759.4","characteristic_m/z":"333","PubChem_CID":"5460677","Software":"TargetLynx","Mode":"Splitless"},{"Metabolite":"Ribose","unit":"nmoles/mg DW","metabolite_fullname":"Ribose!1679.1/307_SUG","RI":"1679.1","characteristic_m/z":"307","PubChem_CID":"5779","Software":"TargetLynx","Mode":"Splitless"},{"Metabolite":"Scyllo-inositol","unit":"nmoles/mg DW","metabolite_fullname":"Inositol-scyllo!2029/318_OTHER","RI":"2029","characteristic_m/z":"318","PubChem_CID":"892","Software":"TargetLynx","Mode":"Splitless"},{"Metabolite":"Serine","unit":"nmoles/mg DW","metabolite_fullname":"Serine$3tms!1365.3/218_AA","RI":"1365.3","characteristic_m/z":"218","PubChem_CID":"5951","Software":"TargetLynx","Mode":"Splitless"},{"Metabolite":"Sitosterol","unit":"nmoles/mg DW","metabolite_fullname":"beta-Sitosterol!3344.6/396_APO","RI":"3344.6","characteristic_m/z":"396","PubChem_CID":"222284","Software":"TargetLynx","Mode":"Splitless"},{"Metabolite":"sn-Glycero-2-phosphate","unit":"arbitrary/mg DW","metabolite_fullname":"Glycerol-2-P!1727.9/299_PHOSPHO","RI":"1727.9","characteristic_m/z":"299","PubChem_CID":"2526","Software":"AMDIS","Mode":"Splitless"},{"Metabolite":"sn-Glycero-3-phosphate","unit":"arbitrary/mg DW","metabolite_fullname":"Glycerol-3-P!1762.7/299_PHOSPHO","RI":"1762.7","characteristic_m/z":"299","PubChem_CID":"439162","Software":"TargetLynx","Mode":"Splitless"},{"Metabolite":"Sorbitol","unit":"nmoles/mg DW","metabolite_fullname":"Sorbitol!1938.2/307_OTHER","RI":"1938.2","characteristic_m/z":"307","PubChem_CID":"5780","Software":"TargetLynx","Mode":"Splitless"},{"Metabolite":"Stachyose","unit":"nmoles/mg DW","metabolite_fullname":"Stachyose!4405/361_SUG","RI":"4405","characteristic_m/z":"361","PubChem_CID":"439531","Software":"TargetLynx","Mode":"Splitless"},{"Metabolite":"Stigmasterol","unit":"nmoles/mg DW","metabolite_fullname":"Stigmasterol!3302/484_APO","RI":"3302","characteristic_m/z":"484","PubChem_CID":"5280794","Software":"TargetLynx","Mode":"Splitless"},{"Metabolite":"Succinic acid","unit":"nmoles/mg DW","metabolite_fullname":"Succinate!1320.9/247_OA","RI":"1320.9","characteristic_m/z":"247","PubChem_CID":"1110","Software":"TargetLynx","Mode":"Splitless"},{"Metabolite":"Sucrose","unit":"nmoles/mg DW","metabolite_fullname":"Sucrose!2641.2/451_SUG","RI":"2641.2","characteristic_m/z":"451","PubChem_CID":"5988","Software":"TargetLynx","Mode":"Split30"},{"Metabolite":"Sucrose 6-phosphate","unit":"nmoles/mg DW","metabolite_fullname":"Sucrose-6-P!3012.2/315_PHOSPHO","RI":"3012.2","characteristic_m/z":"315","PubChem_CID":"644101","Software":"TargetLynx","Mode":"Splitless"},{"Metabolite":"Threitol","unit":"arbitrary/mg DW","metabolite_fullname":"Threitol!1493.0/205_OTHER","RI":"1493","characteristic_m/z":"205","PubChem_CID":"169019","Software":"TargetLynx","Mode":"Splitless"},{"Metabolite":"Threonic acid","unit":"arbitrary/mg DW","metabolite_fullname":"Threonate!1560.0/292_OA","RI":"1560","characteristic_m/z":"292","PubChem_CID":"5460407","Software":"TargetLynx","Mode":"Splitless"},{"Metabolite":"Threonine","unit":"nmoles/mg DW","metabolite_fullname":"Threonine$3tms!1389.9/218_AA","RI":"1389.9","characteristic_m/z":"218","PubChem_CID":"6288","Software":"TargetLynx","Mode":"Splitless"},{"Metabolite":"trans-Aconitic acid","unit":"nmoles/mg DW","metabolite_fullname":"Aconitate!1748.1/375_OA","RI":"1748.1","characteristic_m/z":"375","PubChem_CID":"444212","Software":"TargetLynx","Mode":"Splitless"},{"Metabolite":"Trehalose","unit":"nmoles/mg DW","metabolite_fullname":"Trehalose!2748.2/191_SUG","RI":"2748.2","characteristic_m/z":"191","PubChem_CID":"7427","Software":"AMDIS","Mode":"Splitless"},{"Metabolite":"Tryptophan","unit":"nmoles/mg DW","metabolite_fullname":"Tryptophan$sum!sum_AA","RI":"sum","characteristic_m/z":"","PubChem_CID":"6305","Software":"AMDIS","Mode":"Splitless"},{"Metabolite":"Tyramine","unit":"arbitrary/mg DW","metabolite_fullname":"Tyramine!1909.5/174_OTHER","RI":"1909.5","characteristic_m/z":"174","PubChem_CID":"5610","Software":"AMDIS","Mode":"Splitless"},{"Metabolite":"Tyrosine","unit":"nmoles/mg DW","metabolite_fullname":"Tyrosine$sum!sum_AA","RI":"sum","characteristic_m/z":"","PubChem_CID":"6057","Software":"TargetLynx","Mode":"Splitless"},{"Metabolite":"U0970.7/184","unit":"arbitrary/mg DW","metabolite_fullname":"U0970.7/184!0970.7/1848_U","RI":"970.7","characteristic_m/z":"1848","PubChem_CID":"","Software":"AMDIS","Mode":"Splitless"},{"Metabolite":"U1070.1/131","unit":"arbitrary/mg DW","metabolite_fullname":"U1070.1/131!1070.1/131_U","RI":"1070.1","characteristic_m/z":"131","PubChem_CID":"","Software":"AMDIS","Mode":"Splitless"},{"Metabolite":"U1093.6/147","unit":"arbitrary/mg DW","metabolite_fullname":"U1093.6/147!1093.6/147_U","RI":"1093.6","characteristic_m/z":"147","PubChem_CID":"","Software":"AMDIS","Mode":"Splitless"},{"Metabolite":"U1121.3/332","unit":"arbitrary/mg DW","metabolite_fullname":"U1121.3/332!1121.3/332_U","RI":"1121.3","characteristic_m/z":"332","PubChem_CID":"","Software":"AMDIS","Mode":"Splitless"},{"Metabolite":"U1124.3/140","unit":"arbitrary/mg DW","metabolite_fullname":"U1124.3/140!1124.3/140_U","RI":"1124.3","characteristic_m/z":"140","PubChem_CID":"","Software":"AMDIS","Mode":"Splitless"},{"Metabolite":"U1127.5/140","unit":"arbitrary/mg DW","metabolite_fullname":"U1127.5/140!1127.5/140_U","RI":"1127.5","characteristic_m/z":"140","PubChem_CID":"","Software":"AMDIS","Mode":"Splitless"},{"Metabolite":"U1137/184","unit":"arbitrary/mg DW","metabolite_fullname":"U1137/184!1137/184_U","RI":"1137","characteristic_m/z":"184","PubChem_CID":"","Software":"AMDIS","Mode":"Splitless"},{"Metabolite":"U1169.9/198(mstfaTHERMO)","unit":"arbitrary/mg DW","metabolite_fullname":"U1169.9/198(mstfaTHERMO)!1169.9/198_U","RI":"1169.9","characteristic_m/z":"198","PubChem_CID":"","Software":"AMDIS","Mode":"Splitless"},{"Metabolite":"U1205.8/198","unit":"arbitrary/mg DW","metabolite_fullname":"U1205.8/198!1205.8/198_U","RI":"1205.8","characteristic_m/z":"198","PubChem_CID":"","Software":"AMDIS","Mode":"Splitless"},{"Metabolite":"U1240.7/286","unit":"arbitrary/mg DW","metabolite_fullname":"U1240.7/286!1240.7/286_U","RI":"1240.7","characteristic_m/z":"286","PubChem_CID":"","Software":"AMDIS","Mode":"Splitless"},{"Metabolite":"U1252.8/157","unit":"arbitrary/mg DW","metabolite_fullname":"U1252.8/157!1252.8/157_U","RI":"1252.8","characteristic_m/z":"157","PubChem_CID":"","Software":"AMDIS","Mode":"Splitless"},{"Metabolite":"U1290/198","unit":"arbitrary/mg DW","metabolite_fullname":"U1290/198!1290/198_U","RI":"1290","characteristic_m/z":"198","PubChem_CID":"","Software":"AMDIS","Mode":"Splitless"},{"Metabolite":"U1317.1/199","unit":"arbitrary/mg DW","metabolite_fullname":"U1317.1/199!1317.1/199_U","RI":"1317.1","characteristic_m/z":"199","PubChem_CID":"","Software":"AMDIS","Mode":"Splitless"},{"Metabolite":"U1347/183","unit":"arbitrary/mg DW","metabolite_fullname":"U1347/183!1347/183_U","RI":"1347","characteristic_m/z":"183","PubChem_CID":"","Software":"AMDIS","Mode":"Splitless"},{"Metabolite":"U1415.0/255","unit":"arbitrary/mg DW","metabolite_fullname":"U1415.0/255!1415.0/255_U","RI":"1415","characteristic_m/z":"255","PubChem_CID":"","Software":"AMDIS","Mode":"Splitless"},{"Metabolite":"U1434.1/255","unit":"arbitrary/mg DW","metabolite_fullname":"U1434.1/255!1434.1/255_U","RI":"1434.1","characteristic_m/z":"255","PubChem_CID":"","Software":"AMDIS","Mode":"Splitless"},{"Metabolite":"U1488.1/200","unit":"arbitrary/mg DW","metabolite_fullname":"U1488.1/200!1488.1/200_U","RI":"1488.1","characteristic_m/z":"200","PubChem_CID":"","Software":"AMDIS","Mode":"Splitless"},{"Metabolite":"U1530.2/314","unit":"arbitrary/mg DW","metabolite_fullname":"U1530.2/314!1530.2/314_U","RI":"1530.2","characteristic_m/z":"314","PubChem_CID":"","Software":"AMDIS","Mode":"Splitless"},{"Metabolite":"U1574.4/369","unit":"arbitrary/mg DW","metabolite_fullname":"U1574.4/369!1574.1/369_U","RI":"1574.1","characteristic_m/z":"369","PubChem_CID":"","Software":"AMDIS","Mode":"Splitless"},{"Metabolite":"U1578.3/174","unit":"arbitrary/mg DW","metabolite_fullname":"U1578.3/174!1578.3/174_U","RI":"1578.3","characteristic_m/z":"174","PubChem_CID":"","Software":"AMDIS","Mode":"Splitless"},{"Metabolite":"U1602.7/244","unit":"arbitrary/mg DW","metabolite_fullname":"U1602.7/244!1602.7/244_U","RI":"1602.7","characteristic_m/z":"244","PubChem_CID":"","Software":"AMDIS","Mode":"Splitless"},{"Metabolite":"U1647.2/403","unit":"arbitrary/mg DW","metabolite_fullname":"U1647.2/403!1647.2/403_U","RI":"1647.2","characteristic_m/z":"403","PubChem_CID":"","Software":"AMDIS","Mode":"Splitless"},{"Metabolite":"U1761.4/217","unit":"arbitrary/mg DW","metabolite_fullname":"U1761.4/217!1761.4/217_U","RI":"1761.4","characteristic_m/z":"217","PubChem_CID":"","Software":"AMDIS","Mode":"Splitless"},{"Metabolite":"U1767.3/243","unit":"arbitrary/mg DW","metabolite_fullname":"U1767.3/243!1767.3/243_U","RI":"1767.3","characteristic_m/z":"243","PubChem_CID":"","Software":"AMDIS","Mode":"Splitless"},{"Metabolite":"U1791.1/223","unit":"arbitrary/mg DW","metabolite_fullname":"U1791.1/223!1791.1/223_U","RI":"1791.1","characteristic_m/z":"223","PubChem_CID":"","Software":"AMDIS","Mode":"Splitless"},{"Metabolite":"U1849.2/285","unit":"arbitrary/mg DW","metabolite_fullname":"U1849.2/285!1849.2/285_U","RI":"1849.2","characteristic_m/z":"285","PubChem_CID":"","Software":"AMDIS","Mode":"Splitless"},{"Metabolite":"U1874.5/275","unit":"arbitrary/mg DW","metabolite_fullname":"U1874.5/275!1874.5/275_U","RI":"1874.5","characteristic_m/z":"275","PubChem_CID":"","Software":"AMDIS","Mode":"Splitless"},{"Metabolite":"U1939.4/308(polyol)","unit":"arbitrary/mg DW","metabolite_fullname":"U1939.4/308(polyol)!1939.4/308_U","RI":"1939.4","characteristic_m/z":"308","PubChem_CID":"","Software":"AMDIS","Mode":"Splitless"},{"Metabolite":"U1944.8/232","unit":"arbitrary/mg DW","metabolite_fullname":"U1944.8/232!1944.8/232_U","RI":"1944.8","characteristic_m/z":"232","PubChem_CID":"","Software":"AMDIS","Mode":"Splitless"},{"Metabolite":"U1966.1/217","unit":"arbitrary/mg DW","metabolite_fullname":"U1966.1/217!1966.1/217_U","RI":"1966.1","characteristic_m/z":"217","PubChem_CID":"","Software":"AMDIS","Mode":"Splitless"},{"Metabolite":"U2003.8/293","unit":"arbitrary/mg DW","metabolite_fullname":"U2003.8/293!2003.8/293_U","RI":"2003.8","characteristic_m/z":"293","PubChem_CID":"","Software":"AMDIS","Mode":"Splitless"},{"Metabolite":"U2010.1/361","unit":"arbitrary/mg DW","metabolite_fullname":"U2010.1/361!2010.1/361_U","RI":"2010.1","characteristic_m/z":"361","PubChem_CID":"","Software":"AMDIS","Mode":"Splitless"},{"Metabolite":"U2015/292","unit":"arbitrary/mg DW","metabolite_fullname":"U2015/292!2015/292_OA","RI":"2015","characteristic_m/z":"292","PubChem_CID":"","Software":"AMDIS","Mode":"Splitless"},{"Metabolite":"U2058.0/289","unit":"arbitrary/mg DW","metabolite_fullname":"U2058.0/289!2058.0/289_U","RI":"2058","characteristic_m/z":"289","PubChem_CID":"","Software":"AMDIS","Mode":"Splitless"},{"Metabolite":"U2067.8/259","unit":"arbitrary/mg DW","metabolite_fullname":"U2067.8/259!2067.8/259_U","RI":"2067.8","characteristic_m/z":"259","PubChem_CID":"","Software":"AMDIS","Mode":"Splitless"},{"Metabolite":"U2106/245","unit":"arbitrary/mg DW","metabolite_fullname":"U2106/245!2106/245_U","RI":"2106","characteristic_m/z":"245","PubChem_CID":"","Software":"AMDIS","Mode":"Splitless"},{"Metabolite":"U2184.1/299","unit":"arbitrary/mg DW","metabolite_fullname":"U2184.1/299!2184.1/299_U","RI":"2184.1","characteristic_m/z":"299","PubChem_CID":"","Software":"AMDIS","Mode":"Splitless"},{"Metabolite":"U2197.2/494","unit":"arbitrary/mg DW","metabolite_fullname":"U2197.2/494!2197.2/494_U","RI":"2197.2","characteristic_m/z":"494","PubChem_CID":"","Software":"AMDIS","Mode":"Splitless"},{"Metabolite":"U2206.2/299","unit":"arbitrary/mg DW","metabolite_fullname":"U2206.2/299!2206.2/299_PHOSPHO","RI":"2206.2","characteristic_m/z":"299","PubChem_CID":"","Software":"AMDIS","Mode":"Splitless"},{"Metabolite":"U2229.8/204","unit":"arbitrary/mg DW","metabolite_fullname":"U2229.8/204!2229.8/204_U","RI":"2229.8","characteristic_m/z":"204","PubChem_CID":"","Software":"AMDIS","Mode":"Splitless"},{"Metabolite":"U2279.8/290","unit":"arbitrary/mg DW","metabolite_fullname":"U2279.8/290!2279.8/290_U","RI":"2279.8","characteristic_m/z":"290","PubChem_CID":"","Software":"AMDIS","Mode":"Splitless"},{"Metabolite":"U2302.4/292","unit":"arbitrary/mg DW","metabolite_fullname":"U2302.4/292!2302.4/292_U","RI":"2302.4","characteristic_m/z":"292","PubChem_CID":"","Software":"AMDIS","Mode":"Splitless"},{"Metabolite":"U2315.2/245","unit":"arbitrary/mg DW","metabolite_fullname":"U2315.2/245!2315.2/245_U","RI":"2315.2","characteristic_m/z":"245","PubChem_CID":"","Software":"AMDIS","Mode":"Splitless"},{"Metabolite":"U2373.5/292","unit":"arbitrary/mg DW","metabolite_fullname":"U2373.5/292!2373.5/292_U","RI":"2373.5","characteristic_m/z":"292","PubChem_CID":"","Software":"AMDIS","Mode":"Splitless"},{"Metabolite":"U2400.1/179","unit":"arbitrary/mg DW","metabolite_fullname":"U2400.1/179!2400.1/179_U","RI":"2400.1","characteristic_m/z":"179","PubChem_CID":"","Software":"TargetLynx","Mode":"Split30"},{"Metabolite":"U2473.7/259","unit":"arbitrary/mg DW","metabolite_fullname":"U2473.7/259!2473.7/259_U","RI":"2473.7","characteristic_m/z":"259","PubChem_CID":"","Software":"AMDIS","Mode":"Splitless"},{"Metabolite":"U2493.7/204","unit":"arbitrary/mg DW","metabolite_fullname":"U2493.7/204!2493.7/204_U","RI":"2493.7","characteristic_m/z":"204","PubChem_CID":"","Software":"AMDIS","Mode":"Splitless"},{"Metabolite":"U2499.5/363","unit":"arbitrary/mg DW","metabolite_fullname":"U2499.5/363!2499.5/363_U","RI":"2499.5","characteristic_m/z":"363","PubChem_CID":"","Software":"AMDIS","Mode":"Splitless"},{"Metabolite":"U2501.4/321","unit":"arbitrary/mg DW","metabolite_fullname":"U2501.4/321!2501.4/321_U","RI":"2501.4","characteristic_m/z":"321","PubChem_CID":"","Software":"AMDIS","Mode":"Splitless"},{"Metabolite":"U2507.8/321","unit":"arbitrary/mg DW","metabolite_fullname":"U2507.8/321!2507.8/321_U","RI":"2507.8","characteristic_m/z":"321","PubChem_CID":"","Software":"AMDIS","Mode":"Split30"},{"Metabolite":"U2522.9/437","unit":"arbitrary/mg DW","metabolite_fullname":"U2522.9/437!2522.9/437_U","RI":"2522.9","characteristic_m/z":"437","PubChem_CID":"","Software":"AMDIS","Mode":"Splitless"},{"Metabolite":"U2541.2/437","unit":"arbitrary/mg DW","metabolite_fullname":"U2541.2/437!2541.2/437_U","RI":"2541.2","characteristic_m/z":"437","PubChem_CID":"","Software":"AMDIS","Mode":"Splitless"},{"Metabolite":"U2550.4/219(sug)","unit":"arbitrary/mg DW","metabolite_fullname":"U2550.4/219(sug)!2550.4/219_U","RI":"2550.4","characteristic_m/z":"219","PubChem_CID":"","Software":"TargetLynx","Mode":"Splitless"},{"Metabolite":"U2593.5/289","unit":"arbitrary/mg DW","metabolite_fullname":"U2593.5/289!2593.5/289_U","RI":"2593.5","characteristic_m/z":"289","PubChem_CID":"","Software":"AMDIS","Mode":"Splitless"},{"Metabolite":"U2659.3/204","unit":"arbitrary/mg DW","metabolite_fullname":"U2659.3/204!2659.3/204_U","RI":"2659.3","characteristic_m/z":"204","PubChem_CID":"","Software":"AMDIS","Mode":"Splitless"},{"Metabolite":"U2701/361","unit":"arbitrary/mg DW","metabolite_fullname":"U2701/361!2701/361_U","RI":"2701","characteristic_m/z":"361","PubChem_CID":"","Software":"AMDIS","Mode":"Splitless"},{"Metabolite":"U2723/361","unit":"arbitrary/mg DW","metabolite_fullname":"U2723/361!2723/361_U","RI":"2723","characteristic_m/z":"361","PubChem_CID":"","Software":"AMDIS","Mode":"Splitless"},{"Metabolite":"U2729.1/553","unit":"arbitrary/mg DW","metabolite_fullname":"U2729.1/553!2729.1/553_U","RI":"2729.1","characteristic_m/z":"553","PubChem_CID":"","Software":"AMDIS","Mode":"Splitless"},{"Metabolite":"U2803.7/204(479)","unit":"arbitrary/mg DW","metabolite_fullname":"U2803.7/204(479)!2803.7/204(479)_U","RI":"2803.7","characteristic_m/z":"204(479)","PubChem_CID":"","Software":"AMDIS","Mode":"Splitless"},{"Metabolite":"U2805.3/191","unit":"arbitrary/mg DW","metabolite_fullname":"U2805.3/191!2805.3/191_U","RI":"2805.3","characteristic_m/z":"191","PubChem_CID":"","Software":"AMDIS","Mode":"Splitless"},{"Metabolite":"U2829.4/479","unit":"arbitrary/mg DW","metabolite_fullname":"U2829.4/479!2829.4/479_U","RI":"2829.4","characteristic_m/z":"479","PubChem_CID":"","Software":"AMDIS","Mode":"Splitless"},{"Metabolite":"U2834.5/204","unit":"arbitrary/mg DW","metabolite_fullname":"U2834.5/204!2834.5/204_U","RI":"2834.5","characteristic_m/z":"204","PubChem_CID":"","Software":"AMDIS","Mode":"Splitless"},{"Metabolite":"U2841.2/361","unit":"arbitrary/mg DW","metabolite_fullname":"U2841.2/361!2841.2/361_U","RI":"2841.2","characteristic_m/z":"361","PubChem_CID":"","Software":"AMDIS","Mode":"Splitless"},{"Metabolite":"U2872.3/361","unit":"arbitrary/mg DW","metabolite_fullname":"U2872.3/361!2872.3/361_U","RI":"2872.3","characteristic_m/z":"361","PubChem_CID":"","Software":"AMDIS","Mode":"Splitless"},{"Metabolite":"U2910.9/433","unit":"arbitrary/mg DW","metabolite_fullname":"U2910.9/433!2910.9/433_U","RI":"2910.9","characteristic_m/z":"433","PubChem_CID":"","Software":"AMDIS","Mode":"Splitless"},{"Metabolite":"U2922.1/251","unit":"arbitrary/mg DW","metabolite_fullname":"U2922.1/251!2922.1/251_U","RI":"2922.1","characteristic_m/z":"251","PubChem_CID":"","Software":"AMDIS","Mode":"Splitless"},{"Metabolite":"U2932.3/204(479)","unit":"arbitrary/mg DW","metabolite_fullname":"U2932.3/204(479)!2932.3/204(479)_U","RI":"2932.3","characteristic_m/z":"204(479)","PubChem_CID":"","Software":"AMDIS","Mode":"Splitless"},{"Metabolite":"U3005.1/204","unit":"arbitrary/mg DW","metabolite_fullname":"U3005.1/204!3005.1/204_U","RI":"3005.1","characteristic_m/z":"204","PubChem_CID":"","Software":"AMDIS","Mode":"Splitless"},{"Metabolite":"U3032.5/204","unit":"arbitrary/mg DW","metabolite_fullname":"U3032.5/204!3032.5/204_U","RI":"3032.5","characteristic_m/z":"204","PubChem_CID":"","Software":"AMDIS","Mode":"Splitless"},{"Metabolite":"U3054.3/204","unit":"arbitrary/mg DW","metabolite_fullname":"U3054.3/204!3054.3/204_U","RI":"3054.3","characteristic_m/z":"204","PubChem_CID":"","Software":"AMDIS","Mode":"Splitless"},{"Metabolite":"U3110.1/433","unit":"arbitrary/mg DW","metabolite_fullname":"U3110.1/433!3110.1/433_U","RI":"3110.1","characteristic_m/z":"433","PubChem_CID":"","Software":"AMDIS","Mode":"Splitless"},{"Metabolite":"U3272.7/361(trisaccharide)","unit":"arbitrary/mg DW","metabolite_fullname":"U3272.7/361(trisaccharide)!3272.7/361_SUG","RI":"3272.7","characteristic_m/z":"361","PubChem_CID":"","Software":"AMDIS","Mode":"Splitless"},{"Metabolite":"U3442.3/361","unit":"arbitrary/mg DW","metabolite_fullname":"U3442.3/361!3442.3/361_U","RI":"3442.3","characteristic_m/z":"361","PubChem_CID":"","Software":"AMDIS","Mode":"Splitless"},{"Metabolite":"U3471.6/361","unit":"arbitrary/mg DW","metabolite_fullname":"U3471.6/361!3471.6/361_U","RI":"3471.6","characteristic_m/z":"361","PubChem_CID":"","Software":"AMDIS","Mode":"Splitless"},{"Metabolite":"U3477.2/361","unit":"arbitrary/mg DW","metabolite_fullname":"U3477.2/361!3477.2/361_U","RI":"3477.2","characteristic_m/z":"361","PubChem_CID":"","Software":"AMDIS","Mode":"Splitless"},{"Metabolite":"U3701/368","unit":"arbitrary/mg DW","metabolite_fullname":"U3701/368!3701/368_U","RI":"3701","characteristic_m/z":"368","PubChem_CID":"","Software":"AMDIS","Mode":"Splitless"},{"Metabolite":"Uridine","unit":"arbitrary/mg DW","metabolite_fullname":"Uridine$1!2454/224_OTHER","RI":"2454","characteristic_m/z":"224","PubChem_CID":"6029","Software":"AMDIS","Mode":"Splitless"},{"Metabolite":"Valine","unit":"nmoles/mg DW","metabolite_fullname":"Valine$2tms!1213.6/218_AA","RI":"1213.6","characteristic_m/z":"218","PubChem_CID":"6287","Software":"TargetLynx","Mode":"Splitless"},{"Metabolite":"Xylitol","unit":"nmoles/mg DW","metabolite_fullname":"Xylitol!1713.2/319_OTHER","RI":"1713.2","characteristic_m/z":"319","PubChem_CID":"6912","Software":"TargetLynx","Mode":"Splitless"},{"Metabolite":"Xylose","unit":"nmoles/mg DW","metabolite_fullname":"Xylose$meox2!1656.7/307_SUG","RI":"1656.7","characteristic_m/z":"307","PubChem_CID":"135191","Software":"TargetLynx","Mode":"Splitless"}]
}

}