{
"METABOLOMICS WORKBENCH":{"STUDY_ID":"ST000395","ANALYSIS_ID":"AN000632","VERSION":"1","CREATED_ON":"May 10, 2016, 12:37 pm"},

"PROJECT":{"PROJECT_TITLE":"The circadian oscillator in Synechococcus elongatus controls metabolite partitioning during diurnal growth","PROJECT_SUMMARY":"Cyanobacteria are increasingly being considered for use in large-scale outdoor production of fuels and industrial chemicals. Cyanobacteria can anticipate daily changes in light availability using an internal circadian clock and rapidly alter their metabolic processes in response to changes light availability. Understanding how signals from the internal circadian clock and external light availability are integrated to control metabolic shifts will be important for engineering cyanobacteria for production in natural outdoor environments. This study has assessed how “knowing” the correct time of day, via the circadian clock, affects metabolic changes when a cyanobacterium goes through a dark-to-light transition. Our data show that the circadian clock plays an important role in inhibiting activation of the oxidative pentose phosphate pathway in the morning. Synechococcus elongatus PCC 7942 is a genetically tractable model cyanobacterium that has been engineered to produce industrially relevant biomolecules and is the best-studied model for a prokaryotic circadian clock. However, the organism is commonly grown in continuous light in the laboratory, and data on metabolic processes under diurnal conditions are lacking. Moreover, the influence of the circadian clock on diurnal metabolism has been investigated only briefly. Here, we demonstrate that the circadian oscillator influences rhythms of metabolism during diurnal growth, even though light–dark cycles can drive metabolic rhythms independently. Moreover, the phenotype associated with loss of the core oscillator protein, KaiC, is distinct from that caused by absence of the circadian output transcriptional regulator, RpaA (regulator of phycobilisome-associated A). Although RpaA activity is important for carbon degradation at night, KaiC is dispensable for those processes. Untargeted metabolomics analysis and glycogen kinetics suggest that functional KaiC is important for metabolite partitioning in the morning. Additionally, output from the oscillator functions to inhibit RpaA activity in the morning, and kaiC-null strains expressing a mutant KaiC phosphomimetic, KaiC-pST, in which the oscillator is locked in the most active output state, phenocopies a ΔrpaA strain. Inhibition of RpaA by the oscillator in the morning suppresses metabolic processes that normally are active at night, and kaiC-null strains show indications of oxidative pentose phosphate pathway activation as well as increased abundance of primary metabolites. Inhibitory clock output may serve to allow secondary metabolite biosynthesis in the morning, and some metabolites resulting from these processes may feed back to reinforce clock timing.","INSTITUTE":"UC Davis","DEPARTMENT":"Genome and Biomedical Sciences Facility","LABORATORY":"WCMC Metabolomics Core","LAST_NAME":"Fiehn","FIRST_NAME":"Oliver","ADDRESS":"Health Sciences Drive, Davis, California, 95616, USA","EMAIL":"ofiehn@ucdavis.edu","PHONE":"(530) 754-8258","FUNDING_SOURCE":"NIH U24DK097154","PUBLICATIONS":"doi: 10.1073/pnas.1504576112"},

"STUDY":{"STUDY_TITLE":"The circadian oscillator in Synechococcus elongatus controls metabolite partitioning during diurnal growth (part II)","STUDY_SUMMARY":"Cyanobacteria are increasingly being considered for use in large-scale outdoor production of fuels and industrial chemicals. Cyanobacteria can anticipate daily changes in light availability using an internal circadian clock and rapidly alter their metabolic processes in response to changes light availability. Understanding how signals from the internal circadian clock and external light availability are integrated to control metabolic shifts will be important for engineering cyanobacteria for production in natural outdoor environments. This study has assessed how “knowing” the correct time of day, via the circadian clock, affects metabolic changes when a cyanobacterium goes through a dark-to-light transition. Our data show that the circadian clock plays an important role in inhibiting activation of the oxidative pentose phosphate pathway in the morning. Synechococcus elongatus PCC 7942 is a genetically tractable model cyanobacterium that has been engineered to produce industrially relevant biomolecules and is the best-studied model for a prokaryotic circadian clock. However, the organism is commonly grown in continuous light in the laboratory, and data on metabolic processes under diurnal conditions are lacking. Moreover, the influence of the circadian clock on diurnal metabolism has been investigated only briefly. Here, we demonstrate that the circadian oscillator influences rhythms of metabolism during diurnal growth, even though light–dark cycles can drive metabolic rhythms independently. Moreover, the phenotype associated with loss of the core oscillator protein, KaiC, is distinct from that caused by absence of the circadian output transcriptional regulator, RpaA (regulator of phycobilisome-associated A). Although RpaA activity is important for carbon degradation at night, KaiC is dispensable for those processes. Untargeted metabolomics analysis and glycogen kinetics suggest that functional KaiC is important for metabolite partitioning in the morning. Additionally, output from the oscillator functions to inhibit RpaA activity in the morning, and kaiC-null strains expressing a mutant KaiC phosphomimetic, KaiC-pST, in which the oscillator is locked in the most active output state, phenocopies a ΔrpaA strain. Inhibition of RpaA by the oscillator in the morning suppresses metabolic processes that normally are active at night, and kaiC-null strains show indications of oxidative pentose phosphate pathway activation as well as increased abundance of primary metabolites. Inhibitory clock output may serve to allow secondary metabolite biosynthesis in the morning, and some metabolites resulting from these processes may feed back to reinforce clock timing.","INSTITUTE":"UC Davis","DEPARTMENT":"Genome and Biomedical Sciences Facility","LABORATORY":"WCMC Metabolomics Core","LAST_NAME":"Fiehn","FIRST_NAME":"Oliver","ADDRESS":"Health Sciences Drive, Davis, California, 95616, USA","EMAIL":"ofiehn@ucdavis.edu","PHONE":"(530) 754-8258","STUDY_COMMENTS":"The first 4 samples were a test run to see how efficient the analysis was and were run on a lipidomics platform. The next 12 samples were the used in the paper and were the same as the original 4 samples, but they were split into 3 biological replicates and run on the GC platform.","PUBLICATIONS":"doi: 10.1073/pnas.1504576112"},

"SUBJECT":{"SUBJECT_TYPE":"Cells","SUBJECT_SPECIES":"Synechococcus elongatus PCC 7942","TAXONOMY_ID":"1140"},
"SUBJECT_SAMPLE_FACTORS":[
{
"Subject ID":"WT_C_T0_005",
"Sample ID":"140619dlvsa11_1",
"Factors":{"Genotype":"WT","Time Point":"-"}
},
{
"Subject ID":"WT_B_T4_004",
"Sample ID":"140619dlvsa12_2",
"Factors":{"Genotype":"WT","Time Point":"4"}
},
{
"Subject ID":"WT_B_T0_003",
"Sample ID":"140619dlvsa03_1",
"Factors":{"Genotype":"WT","Time Point":"-"}
},
{
"Subject ID":"WT_C_T4_006",
"Sample ID":"140619dlvsa02_1",
"Factors":{"Genotype":"WT","Time Point":"4"}
},
{
"Subject ID":"WT_A_T0_001",
"Sample ID":"140619dlvsa05_1",
"Factors":{"Genotype":"WT","Time Point":"-"}
},
{
"Subject ID":"WT_A_T4_002",
"Sample ID":"140619dlvsa04_1",
"Factors":{"Genotype":"WT","Time Point":"4"}
},
{
"Subject ID":"KaiC_B T0_009",
"Sample ID":"140619dlvsa01_1",
"Factors":{"Genotype":"KaiC mutant","Time Point":"-"}
},
{
"Subject ID":"KaiC_C T0_011",
"Sample ID":"140619dlvsa06_2",
"Factors":{"Genotype":"KaiC mutant","Time Point":"-"}
},
{
"Subject ID":"KaiC_A T0_007",
"Sample ID":"140619dlvsa07_2",
"Factors":{"Genotype":"KaiC mutant","Time Point":"-"}
},
{
"Subject ID":"KaiC_A T4_008",
"Sample ID":"140619dlvsa08_3",
"Factors":{"Genotype":"KaiC mutant","Time Point":"4"}
},
{
"Subject ID":"KaiC_B T4_010",
"Sample ID":"140619dlvsa09_2",
"Factors":{"Genotype":"KaiC mutant","Time Point":"4"}
},
{
"Subject ID":"KaiC_C T4_012",
"Sample ID":"140619dlvsa10_2",
"Factors":{"Genotype":"KaiC mutant","Time Point":"4"}
}
],
"COLLECTION":{"COLLECTION_SUMMARY":"Bacteria were grown in a turbidostat/bioreactor at equal cell density (measured by optical density at 750nm), under a 12:12h Light/Dark cycle. After collection samples were immediately placed on ice and then centrifuged at 5000RPM for 10min at ­4 degrees Celsius. After centrifugation supernatant was decanted and cell pellets were immediately frozen in liquid N2.","COLLECTION_PROTOCOL_FILENAME":"StudyDesign-SpencerDiamond-10814.pdF","COLLECTION_TIME":"Samples were collected at T0 (beginning of day) and T4 (4h into day).","VOLUMEORAMOUNT_COLLECTED":"40ml of sample was collected at each time point","STORAGE_CONDITIONS":"Samples were put into a 50mL conical tube containing ice up to the 30ml mark."},

"TREATMENT":{"TREATMENT_SUMMARY":"2: WT bacteria and KaiC mutant The phenotype associated with loss of the core oscillator protein, KaiC, is distinct from that caused by absence of the circadian output transcriptional regulator, RpaA (regulator of phycobilisome-associated A). Untargeted metabolomics analysis and glycogen kinetics suggest that functional KaiC is important for metabolite partitioning in the morning. Additionally, output from the oscillator functions to inhibit RpaA activity in the morning, and kaiC-null strains expressing a mutant KaiC phosphomimetic, KaiC-pST, in which the oscillator is locked in the most active output state, phenocopies a ΔrpaA strain. KaiC-null strains show indications of oxidative pentose phosphate pathway activation as well as increased abundance of primary metabolites. Inhibitory clock output may serve to allow secondary metabolite biosynthesis in the morning, and some metabolites resulting from these processes may feed back to reinforce clock timing.","TREATMENT_PROTOCOL_FILENAME":"StudyDesign-SpencerDiamond-10814.pdf"},

"SAMPLEPREP":{"SAMPLEPREP_SUMMARY":"1. Add 0.5mL of extraction solvent to tube, gently pipet to remove all cells, transfer cells to 2mL eppendorf tube. Repeat for a total of 1mL extraction solvent + cells in 2mL eppendorf tube. 2. Add 2 small stainless steel grinding beads to eppendorf tube 3. Use the GenoGrinder to grind for 3 minutes at 1,250 rpm. 4. Centrifuge at 14,000xg for 5 minutes. 5. Transfer supernatant to a fresh 2mL eppendorf tube. 6. Add 1mL of extraction solvent to tube containing cell pellet + beads, and repeat steps 3 and 4. 7. Collect supernatant, and combine with supernatant collected in step 5. Total volume of extracted sample will be approximately 2mL. 8. Dry down 50uL of extracted sample in 1.5mL eppendorf tube for GC-TOF analysis. 9. Store backups in -20 or -80C.","SAMPLEPREP_PROTOCOL_FILENAME":"SOP_Extraction_of_Yeast_Cells.pdf"},

"CHROMATOGRAPHY":{"CHROMATOGRAPHY_TYPE":"GC","INSTRUMENT_NAME":"Leco Pegasus III GC","COLUMN_NAME":"Restek Rtx-5Sil MS (30 x 0.25mm, 0.25um) 0.25 μm film made of 95% dimethyl/5%diphenylpolysiloxane)","FLOW_RATE":"1 ml/min","COLUMN_TEMPERATURE":"50-330C","METHODS_FILENAME":"SOP_Extraction_of_Yeast_Cells.pdf","COLUMN_PRESSURE":"7.7 PSI","INJECTION_TEMPERATURE":"50 C ramped to 250 C by 12 C/s","SAMPLE_INJECTION":"0.5 uL","OVEN_TEMPERATURE":"50°C for 1 min, then ramped at 20°C/min to 330°C, held constant for 5 min","TRANSFERLINE_TEMPERATURE":"230C","WASHING_BUFFER":"Ethyl Acetate","SAMPLE_LOOP_SIZE":"30 m length x 0.25 mm internal diameter","RANDOMIZATION_ORDER":"Excel generated"},

"ANALYSIS":{"ANALYSIS_TYPE":"MS","LABORATORY_NAME":"WCMC Metabolomics Core","DETECTOR_TYPE":"TOF","SOFTWARE_VERSION":"ChromaTOF","DATA_FORMAT":".peg, .txt, .cdf"},

"MS":{"MS_COMMENTS":"-","INSTRUMENT_NAME":"Leco Pegasus III GC TOF","INSTRUMENT_TYPE":"GC-TOF","MS_TYPE":"EI","ION_MODE":"POSITIVE","ION_SOURCE_TEMPERATURE":"250 C","IONIZATION_ENERGY":"70 eV","SOURCE_TEMPERATURE":"250 C","SCAN_RANGE_MOVERZ":"85-500 Da","SCANNING_CYCLE":"17 Hz","SCANNING_RANGE":"85-500 Da","SKIMMER_VOLTAGE":"1850 V"},

"MS_METABOLITE_DATA":{
"Units":"counts",

"Data":[{"":"xylulose NIST","140619dlvsa11_1":"600","140619dlvsa12_2":"529","140619dlvsa03_1":"610","140619dlvsa02_1":"255","140619dlvsa05_1":"436","140619dlvsa04_1":"557","140619dlvsa01_1":"248","140619dlvsa06_2":"576","140619dlvsa07_2":"789","140619dlvsa08_3":"506","140619dlvsa09_2":"518","140619dlvsa10_2":"304"},{"":"xanthosine","140619dlvsa11_1":"728","140619dlvsa12_2":"983","140619dlvsa03_1":"1090","140619dlvsa02_1":"992","140619dlvsa05_1":"723","140619dlvsa04_1":"1061","140619dlvsa01_1":"2208","140619dlvsa06_2":"1007","140619dlvsa07_2":"2048","140619dlvsa08_3":"1700","140619dlvsa09_2":"1135","140619dlvsa10_2":"1227"},{"":"valine","140619dlvsa11_1":"2702","140619dlvsa12_2":"10267","140619dlvsa03_1":"4963","140619dlvsa02_1":"12700","140619dlvsa05_1":"4824","140619dlvsa04_1":"8305","140619dlvsa01_1":"9451","140619dlvsa06_2":"4708","140619dlvsa07_2":"7627","140619dlvsa08_3":"11747","140619dlvsa09_2":"17091","140619dlvsa10_2":"18313"},{"":"uridine","140619dlvsa11_1":"14445","140619dlvsa12_2":"2383","140619dlvsa03_1":"14979","140619dlvsa02_1":"8100","140619dlvsa05_1":"8397","140619dlvsa04_1":"9238","140619dlvsa01_1":"18688","140619dlvsa06_2":"8382","140619dlvsa07_2":"8759","140619dlvsa08_3":"12112","140619dlvsa09_2":"7864","140619dlvsa10_2":"6355"},{"":"urea","140619dlvsa11_1":"831","140619dlvsa12_2":"8730","140619dlvsa03_1":"6135","140619dlvsa02_1":"18187","140619dlvsa05_1":"7405","140619dlvsa04_1":"5890","140619dlvsa01_1":"2612","140619dlvsa06_2":"1147","140619dlvsa07_2":"3953","140619dlvsa08_3":"3108","140619dlvsa09_2":"5590","140619dlvsa10_2":"4213"},{"":"uracil","140619dlvsa11_1":"3286","140619dlvsa12_2":"3239","140619dlvsa03_1":"2787","140619dlvsa02_1":"1895","140619dlvsa05_1":"3477","140619dlvsa04_1":"1943","140619dlvsa01_1":"2419","140619dlvsa06_2":"2591","140619dlvsa07_2":"2075","140619dlvsa08_3":"3743","140619dlvsa09_2":"2158","140619dlvsa10_2":"2293"},{"":"UDP-N-acetylglucosamine","140619dlvsa11_1":"183","140619dlvsa12_2":"273","140619dlvsa03_1":"357","140619dlvsa02_1":"244","140619dlvsa05_1":"292","140619dlvsa04_1":"271","140619dlvsa01_1":"209","140619dlvsa06_2":"149","140619dlvsa07_2":"214","140619dlvsa08_3":"574","140619dlvsa09_2":"392","140619dlvsa10_2":"260"},{"":"tyrosine","140619dlvsa11_1":"5302","140619dlvsa12_2":"7129","140619dlvsa03_1":"3337","140619dlvsa02_1":"9678","140619dlvsa05_1":"3702","140619dlvsa04_1":"7642","140619dlvsa01_1":"7982","140619dlvsa06_2":"6601","140619dlvsa07_2":"4697","140619dlvsa08_3":"10808","140619dlvsa09_2":"11169","140619dlvsa10_2":"11778"},{"":"tryptophan","140619dlvsa11_1":"5004","140619dlvsa12_2":"4224","140619dlvsa03_1":"1880","140619dlvsa02_1":"5589","140619dlvsa05_1":"1982","140619dlvsa04_1":"6936","140619dlvsa01_1":"17133","140619dlvsa06_2":"26374","140619dlvsa07_2":"13675","140619dlvsa08_3":"18752","140619dlvsa09_2":"20812","140619dlvsa10_2":"35579"},{"":"trans-4-hydroxy-L-proline","140619dlvsa11_1":"1087","140619dlvsa12_2":"1794","140619dlvsa03_1":"3100","140619dlvsa02_1":"1515","140619dlvsa05_1":"1936","140619dlvsa04_1":"1311","140619dlvsa01_1":"1182","140619dlvsa06_2":"1222","140619dlvsa07_2":"993","140619dlvsa08_3":"1328","140619dlvsa09_2":"927","140619dlvsa10_2":"563"},{"":"thymine","140619dlvsa11_1":"6932","140619dlvsa12_2":"6863","140619dlvsa03_1":"6637","140619dlvsa02_1":"7893","140619dlvsa05_1":"6342","140619dlvsa04_1":"5279","140619dlvsa01_1":"10041","140619dlvsa06_2":"6598","140619dlvsa07_2":"6224","140619dlvsa08_3":"8504","140619dlvsa09_2":"4977","140619dlvsa10_2":"5226"},{"":"thymidine-5-phosphate","140619dlvsa11_1":"2033","140619dlvsa12_2":"690","140619dlvsa03_1":"1121","140619dlvsa02_1":"435","140619dlvsa05_1":"711","140619dlvsa04_1":"427","140619dlvsa01_1":"2175","140619dlvsa06_2":"1496","140619dlvsa07_2":"653","140619dlvsa08_3":"1863","140619dlvsa09_2":"870","140619dlvsa10_2":"510"},{"":"thymidine","140619dlvsa11_1":"7077","140619dlvsa12_2":"3279","140619dlvsa03_1":"4823","140619dlvsa02_1":"5598","140619dlvsa05_1":"4149","140619dlvsa04_1":"3864","140619dlvsa01_1":"5080","140619dlvsa06_2":"3771","140619dlvsa07_2":"3658","140619dlvsa08_3":"4830","140619dlvsa09_2":"2745","140619dlvsa10_2":"2400"},{"":"threonine","140619dlvsa11_1":"1947","140619dlvsa12_2":"3489","140619dlvsa03_1":"2039","140619dlvsa02_1":"4239","140619dlvsa05_1":"2378","140619dlvsa04_1":"2956","140619dlvsa01_1":"4049","140619dlvsa06_2":"3035","140619dlvsa07_2":"2673","140619dlvsa08_3":"5111","140619dlvsa09_2":"5050","140619dlvsa10_2":"4875"},{"":"threitol","140619dlvsa11_1":"1530","140619dlvsa12_2":"2659","140619dlvsa03_1":"2276","140619dlvsa02_1":"2425","140619dlvsa05_1":"2878","140619dlvsa04_1":"2213","140619dlvsa01_1":"1392","140619dlvsa06_2":"1083","140619dlvsa07_2":"1703","140619dlvsa08_3":"1995","140619dlvsa09_2":"1622","140619dlvsa10_2":"1375"},{"":"sulfuric acid","140619dlvsa11_1":"10797","140619dlvsa12_2":"206","140619dlvsa03_1":"3833","140619dlvsa02_1":"167","140619dlvsa05_1":"921","140619dlvsa04_1":"1289","140619dlvsa01_1":"4268","140619dlvsa06_2":"8479","140619dlvsa07_2":"405","140619dlvsa08_3":"6753","140619dlvsa09_2":"325","140619dlvsa10_2":"279"},{"":"sucrose","140619dlvsa11_1":"560","140619dlvsa12_2":"6345","140619dlvsa03_1":"448","140619dlvsa02_1":"6104","140619dlvsa05_1":"482","140619dlvsa04_1":"8370","140619dlvsa01_1":"2578","140619dlvsa06_2":"1323","140619dlvsa07_2":"2274","140619dlvsa08_3":"52732","140619dlvsa09_2":"46288","140619dlvsa10_2":"34140"},{"":"stearic acid","140619dlvsa11_1":"269226","140619dlvsa12_2":"272593","140619dlvsa03_1":"206216","140619dlvsa02_1":"137203","140619dlvsa05_1":"287227","140619dlvsa04_1":"221562","140619dlvsa01_1":"171345","140619dlvsa06_2":"234654","140619dlvsa07_2":"225601","140619dlvsa08_3":"128578","140619dlvsa09_2":"148689","140619dlvsa10_2":"161548"},{"":"spermidine","140619dlvsa11_1":"361","140619dlvsa12_2":"323","140619dlvsa03_1":"339","140619dlvsa02_1":"448","140619dlvsa05_1":"307","140619dlvsa04_1":"644","140619dlvsa01_1":"350","140619dlvsa06_2":"635","140619dlvsa07_2":"1541","140619dlvsa08_3":"709","140619dlvsa09_2":"1282","140619dlvsa10_2":"431"},{"":"sorbitol","140619dlvsa11_1":"837","140619dlvsa12_2":"997","140619dlvsa03_1":"1147","140619dlvsa02_1":"515","140619dlvsa05_1":"619","140619dlvsa04_1":"363","140619dlvsa01_1":"777","140619dlvsa06_2":"532","140619dlvsa07_2":"666","140619dlvsa08_3":"763","140619dlvsa09_2":"1249","140619dlvsa10_2":"1569"},{"":"serine","140619dlvsa11_1":"1899","140619dlvsa12_2":"4959","140619dlvsa03_1":"2732","140619dlvsa02_1":"11261","140619dlvsa05_1":"2233","140619dlvsa04_1":"3267","140619dlvsa01_1":"18106","140619dlvsa06_2":"2650","140619dlvsa07_2":"3578","140619dlvsa08_3":"6696","140619dlvsa09_2":"6211","140619dlvsa10_2":"5869"},{"":"salicylaldehyde","140619dlvsa11_1":"1878","140619dlvsa12_2":"3241","140619dlvsa03_1":"2536","140619dlvsa02_1":"2396","140619dlvsa05_1":"1312","140619dlvsa04_1":"1755","140619dlvsa01_1":"1601","140619dlvsa06_2":"2899","140619dlvsa07_2":"2207","140619dlvsa08_3":"2177","140619dlvsa09_2":"3116","140619dlvsa10_2":"3289"},{"":"ribose-5-phosphate","140619dlvsa11_1":"1454","140619dlvsa12_2":"1675","140619dlvsa03_1":"927","140619dlvsa02_1":"1660","140619dlvsa05_1":"1096","140619dlvsa04_1":"1769","140619dlvsa01_1":"876","140619dlvsa06_2":"1102","140619dlvsa07_2":"1343","140619dlvsa08_3":"1999","140619dlvsa09_2":"2212","140619dlvsa10_2":"1586"},{"":"ribose","140619dlvsa11_1":"1527","140619dlvsa12_2":"3151","140619dlvsa03_1":"183","140619dlvsa02_1":"3212","140619dlvsa05_1":"1675","140619dlvsa04_1":"2919","140619dlvsa01_1":"2051","140619dlvsa06_2":"2280","140619dlvsa07_2":"2391","140619dlvsa08_3":"2577","140619dlvsa09_2":"1552","140619dlvsa10_2":"2957"},{"":"ribonic acid","140619dlvsa11_1":"302","140619dlvsa12_2":"267","140619dlvsa03_1":"456","140619dlvsa02_1":"266","140619dlvsa05_1":"523","140619dlvsa04_1":"371","140619dlvsa01_1":"308","140619dlvsa06_2":"211","140619dlvsa07_2":"432","140619dlvsa08_3":"349","140619dlvsa09_2":"338","140619dlvsa10_2":"192"},{"":"pyrophosphate","140619dlvsa11_1":"5172","140619dlvsa12_2":"5810","140619dlvsa03_1":"5154","140619dlvsa02_1":"3060","140619dlvsa05_1":"6758","140619dlvsa04_1":"11852","140619dlvsa01_1":"3980","140619dlvsa06_2":"2383","140619dlvsa07_2":"2219","140619dlvsa08_3":"14410","140619dlvsa09_2":"6445","140619dlvsa10_2":"3906"},{"":"putrescine","140619dlvsa11_1":"1175","140619dlvsa12_2":"1003","140619dlvsa03_1":"1669","140619dlvsa02_1":"1955","140619dlvsa05_1":"3304","140619dlvsa04_1":"1104","140619dlvsa01_1":"828","140619dlvsa06_2":"736","140619dlvsa07_2":"2492","140619dlvsa08_3":"1101","140619dlvsa09_2":"2425","140619dlvsa10_2":"1456"},{"":"propane-1,3-diol NIST","140619dlvsa11_1":"921","140619dlvsa12_2":"1648","140619dlvsa03_1":"2002","140619dlvsa02_1":"1568","140619dlvsa05_1":"1249","140619dlvsa04_1":"2045","140619dlvsa01_1":"1045","140619dlvsa06_2":"754","140619dlvsa07_2":"1562","140619dlvsa08_3":"1060","140619dlvsa09_2":"942","140619dlvsa10_2":"820"},{"":"proline","140619dlvsa11_1":"357","140619dlvsa12_2":"768","140619dlvsa03_1":"1249","140619dlvsa02_1":"1348","140619dlvsa05_1":"2002","140619dlvsa04_1":"1094","140619dlvsa01_1":"1235","140619dlvsa06_2":"644","140619dlvsa07_2":"589","140619dlvsa08_3":"508","140619dlvsa09_2":"940","140619dlvsa10_2":"645"},{"":"pimelic acid","140619dlvsa11_1":"1011","140619dlvsa12_2":"916","140619dlvsa03_1":"1064","140619dlvsa02_1":"1477","140619dlvsa05_1":"1799","140619dlvsa04_1":"1471","140619dlvsa01_1":"544","140619dlvsa06_2":"1174","140619dlvsa07_2":"982","140619dlvsa08_3":"912","140619dlvsa09_2":"708","140619dlvsa10_2":"860"},{"":"phytol","140619dlvsa11_1":"59536","140619dlvsa12_2":"38022","140619dlvsa03_1":"73314","140619dlvsa02_1":"48760","140619dlvsa05_1":"59282","140619dlvsa04_1":"37398","140619dlvsa01_1":"73959","140619dlvsa06_2":"61141","140619dlvsa07_2":"64258","140619dlvsa08_3":"55688","140619dlvsa09_2":"42874","140619dlvsa10_2":"41752"},{"":"phosphate","140619dlvsa11_1":"20719","140619dlvsa12_2":"56096","140619dlvsa03_1":"22398","140619dlvsa02_1":"52082","140619dlvsa05_1":"40430","140619dlvsa04_1":"27431","140619dlvsa01_1":"46372","140619dlvsa06_2":"70315","140619dlvsa07_2":"77209","140619dlvsa08_3":"28668","140619dlvsa09_2":"30762","140619dlvsa10_2":"22037"},{"":"phenylalanine","140619dlvsa11_1":"657","140619dlvsa12_2":"706","140619dlvsa03_1":"593","140619dlvsa02_1":"1104","140619dlvsa05_1":"1221","140619dlvsa04_1":"764","140619dlvsa01_1":"798","140619dlvsa06_2":"181","140619dlvsa07_2":"627","140619dlvsa08_3":"217","140619dlvsa09_2":"804","140619dlvsa10_2":"757"},{"":"pentadecanoic acid","140619dlvsa11_1":"2526","140619dlvsa12_2":"4094","140619dlvsa03_1":"3174","140619dlvsa02_1":"1917","140619dlvsa05_1":"3685","140619dlvsa04_1":"636","140619dlvsa01_1":"4317","140619dlvsa06_2":"3438","140619dlvsa07_2":"2667","140619dlvsa08_3":"4971","140619dlvsa09_2":"4617","140619dlvsa10_2":"4379"},{"":"pelargonic acid","140619dlvsa11_1":"11584","140619dlvsa12_2":"13503","140619dlvsa03_1":"17783","140619dlvsa02_1":"10600","140619dlvsa05_1":"19162","140619dlvsa04_1":"13311","140619dlvsa01_1":"11141","140619dlvsa06_2":"8774","140619dlvsa07_2":"11703","140619dlvsa08_3":"14504","140619dlvsa09_2":"11106","140619dlvsa10_2":"10300"},{"":"p-cresol","140619dlvsa11_1":"121793","140619dlvsa12_2":"117460","140619dlvsa03_1":"179180","140619dlvsa02_1":"103911","140619dlvsa05_1":"154086","140619dlvsa04_1":"117275","140619dlvsa01_1":"115565","140619dlvsa06_2":"76650","140619dlvsa07_2":"93378","140619dlvsa08_3":"104627","140619dlvsa09_2":"80404","140619dlvsa10_2":"65090"},{"":"parabanic acid NIST","140619dlvsa11_1":"606","140619dlvsa12_2":"2504","140619dlvsa03_1":"4158","140619dlvsa02_1":"2027","140619dlvsa05_1":"3581","140619dlvsa04_1":"2585","140619dlvsa01_1":"2449","140619dlvsa06_2":"992","140619dlvsa07_2":"2623","140619dlvsa08_3":"2107","140619dlvsa09_2":"2513","140619dlvsa10_2":"3967"},{"":"palmitoleic acid","140619dlvsa11_1":"162613","140619dlvsa12_2":"109167","140619dlvsa03_1":"212559","140619dlvsa02_1":"111336","140619dlvsa05_1":"165247","140619dlvsa04_1":"115270","140619dlvsa01_1":"134638","140619dlvsa06_2":"147522","140619dlvsa07_2":"115478","140619dlvsa08_3":"83128","140619dlvsa09_2":"95164","140619dlvsa10_2":"108998"},{"":"palmitic acid","140619dlvsa11_1":"69867","140619dlvsa12_2":"69685","140619dlvsa03_1":"88856","140619dlvsa02_1":"50660","140619dlvsa05_1":"81753","140619dlvsa04_1":"62737","140619dlvsa01_1":"54306","140619dlvsa06_2":"55043","140619dlvsa07_2":"50285","140619dlvsa08_3":"43365","140619dlvsa09_2":"47490","140619dlvsa10_2":"50949"},{"":"oxoproline","140619dlvsa11_1":"30097","140619dlvsa12_2":"224799","140619dlvsa03_1":"154997","140619dlvsa02_1":"332432","140619dlvsa05_1":"163547","140619dlvsa04_1":"180197","140619dlvsa01_1":"228608","140619dlvsa06_2":"91560","140619dlvsa07_2":"182136","140619dlvsa08_3":"249007","140619dlvsa09_2":"430621","140619dlvsa10_2":"454503"},{"":"oxalic acid","140619dlvsa11_1":"285","140619dlvsa12_2":"320","140619dlvsa03_1":"499","140619dlvsa02_1":"326","140619dlvsa05_1":"1015","140619dlvsa04_1":"510","140619dlvsa01_1":"866","140619dlvsa06_2":"1181","140619dlvsa07_2":"125","140619dlvsa08_3":"1023","140619dlvsa09_2":"734","140619dlvsa10_2":"444"},{"":"ornithine","140619dlvsa11_1":"632","140619dlvsa12_2":"1270","140619dlvsa03_1":"816","140619dlvsa02_1":"2562","140619dlvsa05_1":"1020","140619dlvsa04_1":"796","140619dlvsa01_1":"1223","140619dlvsa06_2":"1242","140619dlvsa07_2":"884","140619dlvsa08_3":"1363","140619dlvsa09_2":"791","140619dlvsa10_2":"569"},{"":"oleic acid","140619dlvsa11_1":"9704","140619dlvsa12_2":"20202","140619dlvsa03_1":"28239","140619dlvsa02_1":"8995","140619dlvsa05_1":"8877","140619dlvsa04_1":"15184","140619dlvsa01_1":"20362","140619dlvsa06_2":"23994","140619dlvsa07_2":"20160","140619dlvsa08_3":"18891","140619dlvsa09_2":"24639","140619dlvsa10_2":"17277"},{"":"oleamide NIST","140619dlvsa11_1":"854","140619dlvsa12_2":"1496","140619dlvsa03_1":"1457","140619dlvsa02_1":"464","140619dlvsa05_1":"2078","140619dlvsa04_1":"613","140619dlvsa01_1":"2665","140619dlvsa06_2":"1358","140619dlvsa07_2":"509","140619dlvsa08_3":"1976","140619dlvsa09_2":"1004","140619dlvsa10_2":"876"},{"":"octanol NIST","140619dlvsa11_1":"655","140619dlvsa12_2":"824","140619dlvsa03_1":"1027","140619dlvsa02_1":"778","140619dlvsa05_1":"1203","140619dlvsa04_1":"818","140619dlvsa01_1":"1055","140619dlvsa06_2":"585","140619dlvsa07_2":"784","140619dlvsa08_3":"430","140619dlvsa09_2":"495","140619dlvsa10_2":"499"},{"":"octadecanol","140619dlvsa11_1":"1255","140619dlvsa12_2":"643","140619dlvsa03_1":"1067","140619dlvsa02_1":"631","140619dlvsa05_1":"442","140619dlvsa04_1":"468","140619dlvsa01_1":"832","140619dlvsa06_2":"709","140619dlvsa07_2":"562","140619dlvsa08_3":"666","140619dlvsa09_2":"917","140619dlvsa10_2":"664"},{"":"nicotinic acid","140619dlvsa11_1":"1122","140619dlvsa12_2":"829","140619dlvsa03_1":"727","140619dlvsa02_1":"948","140619dlvsa05_1":"718","140619dlvsa04_1":"773","140619dlvsa01_1":"771","140619dlvsa06_2":"471","140619dlvsa07_2":"418","140619dlvsa08_3":"697","140619dlvsa09_2":"853","140619dlvsa10_2":"507"},{"":"nicotinamide","140619dlvsa11_1":"3495","140619dlvsa12_2":"4901","140619dlvsa03_1":"4840","140619dlvsa02_1":"5552","140619dlvsa05_1":"7412","140619dlvsa04_1":"4160","140619dlvsa01_1":"3172","140619dlvsa06_2":"2606","140619dlvsa07_2":"3804","140619dlvsa08_3":"2312","140619dlvsa09_2":"3438","140619dlvsa10_2":"3257"},{"":"N-acetylglutamate","140619dlvsa11_1":"5883","140619dlvsa12_2":"5189","140619dlvsa03_1":"2818","140619dlvsa02_1":"6532","140619dlvsa05_1":"4979","140619dlvsa04_1":"1875","140619dlvsa01_1":"8512","140619dlvsa06_2":"6762","140619dlvsa07_2":"2717","140619dlvsa08_3":"15681","140619dlvsa09_2":"1630","140619dlvsa10_2":"1414"},{"":"N-acetyl-D-mannosamine","140619dlvsa11_1":"319","140619dlvsa12_2":"269","140619dlvsa03_1":"334","140619dlvsa02_1":"360","140619dlvsa05_1":"254","140619dlvsa04_1":"282","140619dlvsa01_1":"230","140619dlvsa06_2":"179","140619dlvsa07_2":"334","140619dlvsa08_3":"556","140619dlvsa09_2":"394","140619dlvsa10_2":"303"},{"":"myristic acid","140619dlvsa11_1":"17265","140619dlvsa12_2":"16175","140619dlvsa03_1":"21092","140619dlvsa02_1":"13423","140619dlvsa05_1":"21443","140619dlvsa04_1":"14713","140619dlvsa01_1":"18025","140619dlvsa06_2":"18356","140619dlvsa07_2":"14456","140619dlvsa08_3":"13430","140619dlvsa09_2":"14555","140619dlvsa10_2":"15027"},{"":"methionine","140619dlvsa11_1":"548","140619dlvsa12_2":"499","140619dlvsa03_1":"653","140619dlvsa02_1":"1014","140619dlvsa05_1":"711","140619dlvsa04_1":"590","140619dlvsa01_1":"860","140619dlvsa06_2":"159","140619dlvsa07_2":"836","140619dlvsa08_3":"414","140619dlvsa09_2":"1328","140619dlvsa10_2":"1088"},{"":"mannose-6-phosphate NIST","140619dlvsa11_1":"218","140619dlvsa12_2":"85","140619dlvsa03_1":"325","140619dlvsa02_1":"143","140619dlvsa05_1":"327","140619dlvsa04_1":"481","140619dlvsa01_1":"85","140619dlvsa06_2":"163","140619dlvsa07_2":"139","140619dlvsa08_3":"258","140619dlvsa09_2":"72","140619dlvsa10_2":"199"},{"":"maltotriose","140619dlvsa11_1":"8583","140619dlvsa12_2":"3651","140619dlvsa03_1":"7638","140619dlvsa02_1":"3617","140619dlvsa05_1":"2611","140619dlvsa04_1":"3219","140619dlvsa01_1":"5444","140619dlvsa06_2":"8037","140619dlvsa07_2":"6416","140619dlvsa08_3":"3987","140619dlvsa09_2":"4517","140619dlvsa10_2":"6450"},{"":"maltotriitol","140619dlvsa11_1":"392","140619dlvsa12_2":"428","140619dlvsa03_1":"394","140619dlvsa02_1":"334","140619dlvsa05_1":"343","140619dlvsa04_1":"145","140619dlvsa01_1":"536","140619dlvsa06_2":"285","140619dlvsa07_2":"393","140619dlvsa08_3":"226","140619dlvsa09_2":"306","140619dlvsa10_2":"215"},{"":"maltose","140619dlvsa11_1":"1928","140619dlvsa12_2":"1633","140619dlvsa03_1":"2809","140619dlvsa02_1":"1201","140619dlvsa05_1":"2071","140619dlvsa04_1":"2066","140619dlvsa01_1":"1992","140619dlvsa06_2":"1138","140619dlvsa07_2":"1860","140619dlvsa08_3":"1421","140619dlvsa09_2":"1540","140619dlvsa10_2":"1831"},{"":"maltitol","140619dlvsa11_1":"371","140619dlvsa12_2":"423","140619dlvsa03_1":"197","140619dlvsa02_1":"343","140619dlvsa05_1":"551","140619dlvsa04_1":"381","140619dlvsa01_1":"542","140619dlvsa06_2":"576","140619dlvsa07_2":"777","140619dlvsa08_3":"578","140619dlvsa09_2":"314","140619dlvsa10_2":"420"},{"":"maleimide","140619dlvsa11_1":"1989","140619dlvsa12_2":"5579","140619dlvsa03_1":"9560","140619dlvsa02_1":"12183","140619dlvsa05_1":"8377","140619dlvsa04_1":"6611","140619dlvsa01_1":"12549","140619dlvsa06_2":"3696","140619dlvsa07_2":"5095","140619dlvsa08_3":"2319","140619dlvsa09_2":"3250","140619dlvsa10_2":"3858"},{"":"lyxitol","140619dlvsa11_1":"287","140619dlvsa12_2":"560","140619dlvsa03_1":"625","140619dlvsa02_1":"671","140619dlvsa05_1":"556","140619dlvsa04_1":"522","140619dlvsa01_1":"461","140619dlvsa06_2":"193","140619dlvsa07_2":"386","140619dlvsa08_3":"808","140619dlvsa09_2":"499","140619dlvsa10_2":"449"},{"":"lysopalmitoyl monogalactosylglycerol","140619dlvsa11_1":"172130","140619dlvsa12_2":"67682","140619dlvsa03_1":"140348","140619dlvsa02_1":"51913","140619dlvsa05_1":"49543","140619dlvsa04_1":"59804","140619dlvsa01_1":"71945","140619dlvsa06_2":"95024","140619dlvsa07_2":"69761","140619dlvsa08_3":"38142","140619dlvsa09_2":"43850","140619dlvsa10_2":"57936"},{"":"lysine","140619dlvsa11_1":"3101","140619dlvsa12_2":"1089","140619dlvsa03_1":"1460","140619dlvsa02_1":"2550","140619dlvsa05_1":"3728","140619dlvsa04_1":"893","140619dlvsa01_1":"11105","140619dlvsa06_2":"14012","140619dlvsa07_2":"13102","140619dlvsa08_3":"2228","140619dlvsa09_2":"1548","140619dlvsa10_2":"2243"},{"":"levoglucosan","140619dlvsa11_1":"390","140619dlvsa12_2":"706","140619dlvsa03_1":"562","140619dlvsa02_1":"981","140619dlvsa05_1":"980","140619dlvsa04_1":"779","140619dlvsa01_1":"812","140619dlvsa06_2":"404","140619dlvsa07_2":"673","140619dlvsa08_3":"951","140619dlvsa09_2":"744","140619dlvsa10_2":"653"},{"":"leucine","140619dlvsa11_1":"894","140619dlvsa12_2":"4253","140619dlvsa03_1":"1934","140619dlvsa02_1":"5628","140619dlvsa05_1":"2071","140619dlvsa04_1":"2517","140619dlvsa01_1":"3309","140619dlvsa06_2":"1208","140619dlvsa07_2":"2676","140619dlvsa08_3":"2370","140619dlvsa09_2":"5516","140619dlvsa10_2":"5858"},{"":"lauric acid","140619dlvsa11_1":"5707","140619dlvsa12_2":"7384","140619dlvsa03_1":"8491","140619dlvsa02_1":"6183","140619dlvsa05_1":"6913","140619dlvsa04_1":"6704","140619dlvsa01_1":"6093","140619dlvsa06_2":"6433","140619dlvsa07_2":"5470","140619dlvsa08_3":"6080","140619dlvsa09_2":"7339","140619dlvsa10_2":"7291"},{"":"lactic acid","140619dlvsa11_1":"4356","140619dlvsa12_2":"9183","140619dlvsa03_1":"7068","140619dlvsa02_1":"22937","140619dlvsa05_1":"5545","140619dlvsa04_1":"8312","140619dlvsa01_1":"5156","140619dlvsa06_2":"2943","140619dlvsa07_2":"3674","140619dlvsa08_3":"3331","140619dlvsa09_2":"4947","140619dlvsa10_2":"3713"},{"":"isothreonic acid","140619dlvsa11_1":"382","140619dlvsa12_2":"441","140619dlvsa03_1":"1084","140619dlvsa02_1":"657","140619dlvsa05_1":"980","140619dlvsa04_1":"895","140619dlvsa01_1":"528","140619dlvsa06_2":"594","140619dlvsa07_2":"452","140619dlvsa08_3":"590","140619dlvsa09_2":"595","140619dlvsa10_2":"690"},{"":"isoleucine","140619dlvsa11_1":"468","140619dlvsa12_2":"2627","140619dlvsa03_1":"1897","140619dlvsa02_1":"4123","140619dlvsa05_1":"1840","140619dlvsa04_1":"1881","140619dlvsa01_1":"2274","140619dlvsa06_2":"764","140619dlvsa07_2":"1937","140619dlvsa08_3":"2107","140619dlvsa09_2":"4733","140619dlvsa10_2":"5006"},{"":"inulotriose","140619dlvsa11_1":"245","140619dlvsa12_2":"296","140619dlvsa03_1":"422","140619dlvsa02_1":"411","140619dlvsa05_1":"513","140619dlvsa04_1":"408","140619dlvsa01_1":"965","140619dlvsa06_2":"1090","140619dlvsa07_2":"1376","140619dlvsa08_3":"1123","140619dlvsa09_2":"1043","140619dlvsa10_2":"979"},{"":"hydroxylamine","140619dlvsa11_1":"24462","140619dlvsa12_2":"27246","140619dlvsa03_1":"39602","140619dlvsa02_1":"24253","140619dlvsa05_1":"34690","140619dlvsa04_1":"27141","140619dlvsa01_1":"25049","140619dlvsa06_2":"17648","140619dlvsa07_2":"22509","140619dlvsa08_3":"22727","140619dlvsa09_2":"17874","140619dlvsa10_2":"14798"},{"":"homoserine","140619dlvsa11_1":"229","140619dlvsa12_2":"443","140619dlvsa03_1":"508","140619dlvsa02_1":"574","140619dlvsa05_1":"543","140619dlvsa04_1":"920","140619dlvsa01_1":"518","140619dlvsa06_2":"172","140619dlvsa07_2":"578","140619dlvsa08_3":"236","140619dlvsa09_2":"598","140619dlvsa10_2":"645"},{"":"hexose-6-phosphate","140619dlvsa11_1":"311","140619dlvsa12_2":"607","140619dlvsa03_1":"277","140619dlvsa02_1":"607","140619dlvsa05_1":"409","140619dlvsa04_1":"638","140619dlvsa01_1":"359","140619dlvsa06_2":"320","140619dlvsa07_2":"446","140619dlvsa08_3":"726","140619dlvsa09_2":"579","140619dlvsa10_2":"862"},{"":"heptadecanoic acid","140619dlvsa11_1":"3972","140619dlvsa12_2":"7165","140619dlvsa03_1":"3990","140619dlvsa02_1":"3269","140619dlvsa05_1":"5385","140619dlvsa04_1":"4732","140619dlvsa01_1":"4498","140619dlvsa06_2":"4389","140619dlvsa07_2":"4472","140619dlvsa08_3":"4328","140619dlvsa09_2":"4447","140619dlvsa10_2":"4910"},{"":"guanosine","140619dlvsa11_1":"4631","140619dlvsa12_2":"7622","140619dlvsa03_1":"4304","140619dlvsa02_1":"4886","140619dlvsa05_1":"4926","140619dlvsa04_1":"5946","140619dlvsa01_1":"12780","140619dlvsa06_2":"11398","140619dlvsa07_2":"10644","140619dlvsa08_3":"11733","140619dlvsa09_2":"9812","140619dlvsa10_2":"7871"},{"":"guanine","140619dlvsa11_1":"801","140619dlvsa12_2":"869","140619dlvsa03_1":"1041","140619dlvsa02_1":"868","140619dlvsa05_1":"1172","140619dlvsa04_1":"793","140619dlvsa01_1":"679","140619dlvsa06_2":"873","140619dlvsa07_2":"1376","140619dlvsa08_3":"662","140619dlvsa09_2":"667","140619dlvsa10_2":"905"},{"":"glycolic acid","140619dlvsa11_1":"3153","140619dlvsa12_2":"3458","140619dlvsa03_1":"6195","140619dlvsa02_1":"3595","140619dlvsa05_1":"5464","140619dlvsa04_1":"3495","140619dlvsa01_1":"3094","140619dlvsa06_2":"2750","140619dlvsa07_2":"2690","140619dlvsa08_3":"2743","140619dlvsa09_2":"2624","140619dlvsa10_2":"2991"},{"":"glycine","140619dlvsa11_1":"168","140619dlvsa12_2":"956","140619dlvsa03_1":"627","140619dlvsa02_1":"2087","140619dlvsa05_1":"736","140619dlvsa04_1":"719","140619dlvsa01_1":"1793","140619dlvsa06_2":"231","140619dlvsa07_2":"414","140619dlvsa08_3":"738","140619dlvsa09_2":"979","140619dlvsa10_2":"929"},{"":"glycerol-alpha-phosphate","140619dlvsa11_1":"74147","140619dlvsa12_2":"41016","140619dlvsa03_1":"84178","140619dlvsa02_1":"45579","140619dlvsa05_1":"65878","140619dlvsa04_1":"53711","140619dlvsa01_1":"74442","140619dlvsa06_2":"64780","140619dlvsa07_2":"50526","140619dlvsa08_3":"55358","140619dlvsa09_2":"29973","140619dlvsa10_2":"44197"},{"":"glycerol-3-galactoside","140619dlvsa11_1":"173238","140619dlvsa12_2":"72576","140619dlvsa03_1":"119191","140619dlvsa02_1":"90669","140619dlvsa05_1":"59871","140619dlvsa04_1":"67625","140619dlvsa01_1":"72265","140619dlvsa06_2":"120430","140619dlvsa07_2":"59618","140619dlvsa08_3":"33289","140619dlvsa09_2":"40307","140619dlvsa10_2":"70391"},{"":"glycerol","140619dlvsa11_1":"49916","140619dlvsa12_2":"26839","140619dlvsa03_1":"20302","140619dlvsa02_1":"79922","140619dlvsa05_1":"106729","140619dlvsa04_1":"77020","140619dlvsa01_1":"16904","140619dlvsa06_2":"54056","140619dlvsa07_2":"85860","140619dlvsa08_3":"87034","140619dlvsa09_2":"17521","140619dlvsa10_2":"59295"},{"":"glyceric acid","140619dlvsa11_1":"1418","140619dlvsa12_2":"1794","140619dlvsa03_1":"2245","140619dlvsa02_1":"1930","140619dlvsa05_1":"1941","140619dlvsa04_1":"2190","140619dlvsa01_1":"1797","140619dlvsa06_2":"1680","140619dlvsa07_2":"1518","140619dlvsa08_3":"2007","140619dlvsa09_2":"1695","140619dlvsa10_2":"2024"},{"":"glutaric acid","140619dlvsa11_1":"344","140619dlvsa12_2":"361","140619dlvsa03_1":"593","140619dlvsa02_1":"459","140619dlvsa05_1":"188","140619dlvsa04_1":"416","140619dlvsa01_1":"260","140619dlvsa06_2":"318","140619dlvsa07_2":"212","140619dlvsa08_3":"355","140619dlvsa09_2":"216","140619dlvsa10_2":"344"},{"":"glutamine","140619dlvsa11_1":"415","140619dlvsa12_2":"1362","140619dlvsa03_1":"804","140619dlvsa02_1":"934","140619dlvsa05_1":"1591","140619dlvsa04_1":"1175","140619dlvsa01_1":"1442","140619dlvsa06_2":"2258","140619dlvsa07_2":"2064","140619dlvsa08_3":"3270","140619dlvsa09_2":"2938","140619dlvsa10_2":"3108"},{"":"glutamic acid","140619dlvsa11_1":"5864","140619dlvsa12_2":"5660","140619dlvsa03_1":"10707","140619dlvsa02_1":"5947","140619dlvsa05_1":"14825","140619dlvsa04_1":"15722","140619dlvsa01_1":"6385","140619dlvsa06_2":"5224","140619dlvsa07_2":"6254","140619dlvsa08_3":"23258","140619dlvsa09_2":"12228","140619dlvsa10_2":"10720"},{"":"glucose-6-phosphate","140619dlvsa11_1":"833","140619dlvsa12_2":"1987","140619dlvsa03_1":"913","140619dlvsa02_1":"1372","140619dlvsa05_1":"637","140619dlvsa04_1":"1610","140619dlvsa01_1":"1096","140619dlvsa06_2":"1167","140619dlvsa07_2":"1130","140619dlvsa08_3":"5320","140619dlvsa09_2":"4290","140619dlvsa10_2":"4089"},{"":"glucose-1-phosphate","140619dlvsa11_1":"2681","140619dlvsa12_2":"5725","140619dlvsa03_1":"3779","140619dlvsa02_1":"4200","140619dlvsa05_1":"2444","140619dlvsa04_1":"8548","140619dlvsa01_1":"5831","140619dlvsa06_2":"5184","140619dlvsa07_2":"4237","140619dlvsa08_3":"10681","140619dlvsa09_2":"6885","140619dlvsa10_2":"3394"},{"":"glucose","140619dlvsa11_1":"63663","140619dlvsa12_2":"156855","140619dlvsa03_1":"99320","140619dlvsa02_1":"120410","140619dlvsa05_1":"71742","140619dlvsa04_1":"152854","140619dlvsa01_1":"145613","140619dlvsa06_2":"121555","140619dlvsa07_2":"131305","140619dlvsa08_3":"198026","140619dlvsa09_2":"217635","140619dlvsa10_2":"151712"},{"":"gluconic acid","140619dlvsa11_1":"384","140619dlvsa12_2":"1001","140619dlvsa03_1":"662","140619dlvsa02_1":"714","140619dlvsa05_1":"835","140619dlvsa04_1":"2066","140619dlvsa01_1":"487","140619dlvsa06_2":"957","140619dlvsa07_2":"184","140619dlvsa08_3":"545","140619dlvsa09_2":"834","140619dlvsa10_2":"714"},{"":"galactinol","140619dlvsa11_1":"279244","140619dlvsa12_2":"208492","140619dlvsa03_1":"129385","140619dlvsa02_1":"253529","140619dlvsa05_1":"148816","140619dlvsa04_1":"298446","140619dlvsa01_1":"129330","140619dlvsa06_2":"163934","140619dlvsa07_2":"117937","140619dlvsa08_3":"125726","140619dlvsa09_2":"134059","140619dlvsa10_2":"132784"},{"":"fumaric acid","140619dlvsa11_1":"699","140619dlvsa12_2":"1010","140619dlvsa03_1":"1192","140619dlvsa02_1":"367","140619dlvsa05_1":"480","140619dlvsa04_1":"307","140619dlvsa01_1":"296","140619dlvsa06_2":"459","140619dlvsa07_2":"395","140619dlvsa08_3":"586","140619dlvsa09_2":"549","140619dlvsa10_2":"538"},{"":"fucose","140619dlvsa11_1":"2434","140619dlvsa12_2":"2988","140619dlvsa03_1":"2667","140619dlvsa02_1":"3061","140619dlvsa05_1":"3687","140619dlvsa04_1":"4603","140619dlvsa01_1":"3501","140619dlvsa06_2":"2383","140619dlvsa07_2":"2942","140619dlvsa08_3":"3501","140619dlvsa09_2":"4105","140619dlvsa10_2":"2655"},{"":"fructose-6-phosphate","140619dlvsa11_1":"443","140619dlvsa12_2":"1019","140619dlvsa03_1":"388","140619dlvsa02_1":"774","140619dlvsa05_1":"675","140619dlvsa04_1":"748","140619dlvsa01_1":"878","140619dlvsa06_2":"456","140619dlvsa07_2":"503","140619dlvsa08_3":"2751","140619dlvsa09_2":"2027","140619dlvsa10_2":"2036"},{"":"fructose","140619dlvsa11_1":"1945","140619dlvsa12_2":"3223","140619dlvsa03_1":"3212","140619dlvsa02_1":"3034","140619dlvsa05_1":"1345","140619dlvsa04_1":"5011","140619dlvsa01_1":"5237","140619dlvsa06_2":"3808","140619dlvsa07_2":"2714","140619dlvsa08_3":"3387","140619dlvsa09_2":"3654","140619dlvsa10_2":"3965"},{"":"erythrose","140619dlvsa11_1":"336","140619dlvsa12_2":"482","140619dlvsa03_1":"556","140619dlvsa02_1":"440","140619dlvsa05_1":"391","140619dlvsa04_1":"938","140619dlvsa01_1":"417","140619dlvsa06_2":"473","140619dlvsa07_2":"662","140619dlvsa08_3":"666","140619dlvsa09_2":"798","140619dlvsa10_2":"414"},{"":"erythronic acid","140619dlvsa11_1":"436","140619dlvsa12_2":"1543","140619dlvsa03_1":"582","140619dlvsa02_1":"853","140619dlvsa05_1":"855","140619dlvsa04_1":"1264","140619dlvsa01_1":"900","140619dlvsa06_2":"822","140619dlvsa07_2":"1135","140619dlvsa08_3":"1162","140619dlvsa09_2":"938","140619dlvsa10_2":"691"},{"":"enolpyruvate NIST","140619dlvsa11_1":"329","140619dlvsa12_2":"847","140619dlvsa03_1":"585","140619dlvsa02_1":"380","140619dlvsa05_1":"941","140619dlvsa04_1":"375","140619dlvsa01_1":"413","140619dlvsa06_2":"251","140619dlvsa07_2":"304","140619dlvsa08_3":"570","140619dlvsa09_2":"412","140619dlvsa10_2":"392"},{"":"cytosin","140619dlvsa11_1":"191","140619dlvsa12_2":"806","140619dlvsa03_1":"545","140619dlvsa02_1":"1005","140619dlvsa05_1":"1084","140619dlvsa04_1":"891","140619dlvsa01_1":"284","140619dlvsa06_2":"218","140619dlvsa07_2":"644","140619dlvsa08_3":"385","140619dlvsa09_2":"644","140619dlvsa10_2":"737"},{"":"cytidine","140619dlvsa11_1":"772","140619dlvsa12_2":"697","140619dlvsa03_1":"559","140619dlvsa02_1":"495","140619dlvsa05_1":"713","140619dlvsa04_1":"795","140619dlvsa01_1":"1710","140619dlvsa06_2":"1756","140619dlvsa07_2":"2198","140619dlvsa08_3":"1659","140619dlvsa09_2":"1557","140619dlvsa10_2":"990"},{"":"citric acid","140619dlvsa11_1":"3965","140619dlvsa12_2":"18787","140619dlvsa03_1":"6064","140619dlvsa02_1":"8432","140619dlvsa05_1":"50809","140619dlvsa04_1":"16851","140619dlvsa01_1":"5749","140619dlvsa06_2":"5551","140619dlvsa07_2":"12676","140619dlvsa08_3":"14104","140619dlvsa09_2":"5598","140619dlvsa10_2":"3655"},{"":"capric acid","140619dlvsa11_1":"1536","140619dlvsa12_2":"2683","140619dlvsa03_1":"2661","140619dlvsa02_1":"2201","140619dlvsa05_1":"3644","140619dlvsa04_1":"1943","140619dlvsa01_1":"1716","140619dlvsa06_2":"1514","140619dlvsa07_2":"1587","140619dlvsa08_3":"2175","140619dlvsa09_2":"1712","140619dlvsa10_2":"1980"},{"":"butyrolactam NIST","140619dlvsa11_1":"531","140619dlvsa12_2":"1391","140619dlvsa03_1":"1295","140619dlvsa02_1":"1016","140619dlvsa05_1":"934","140619dlvsa04_1":"686","140619dlvsa01_1":"1132","140619dlvsa06_2":"578","140619dlvsa07_2":"698","140619dlvsa08_3":"597","140619dlvsa09_2":"494","140619dlvsa10_2":"701"},{"":"beta-glycerolphosphate","140619dlvsa11_1":"726","140619dlvsa12_2":"1261","140619dlvsa03_1":"1209","140619dlvsa02_1":"679","140619dlvsa05_1":"1472","140619dlvsa04_1":"997","140619dlvsa01_1":"963","140619dlvsa06_2":"892","140619dlvsa07_2":"575","140619dlvsa08_3":"496","140619dlvsa09_2":"417","140619dlvsa10_2":"849"},{"":"beta-alanine","140619dlvsa11_1":"250","140619dlvsa12_2":"927","140619dlvsa03_1":"194","140619dlvsa02_1":"253","140619dlvsa05_1":"457","140619dlvsa04_1":"273","140619dlvsa01_1":"173","140619dlvsa06_2":"193","140619dlvsa07_2":"359","140619dlvsa08_3":"275","140619dlvsa09_2":"229","140619dlvsa10_2":"565"},{"":"benzoic acid","140619dlvsa11_1":"17706","140619dlvsa12_2":"17741","140619dlvsa03_1":"23499","140619dlvsa02_1":"16303","140619dlvsa05_1":"24095","140619dlvsa04_1":"20354","140619dlvsa01_1":"14335","140619dlvsa06_2":"12444","140619dlvsa07_2":"14347","140619dlvsa08_3":"15105","140619dlvsa09_2":"12995","140619dlvsa10_2":"11713"},{"":"behenic acid","140619dlvsa11_1":"8632","140619dlvsa12_2":"21674","140619dlvsa03_1":"7259","140619dlvsa02_1":"18952","140619dlvsa05_1":"16244","140619dlvsa04_1":"22876","140619dlvsa01_1":"38877","140619dlvsa06_2":"19151","140619dlvsa07_2":"26415","140619dlvsa08_3":"42307","140619dlvsa09_2":"33262","140619dlvsa10_2":"27771"},{"":"azelaic acid","140619dlvsa11_1":"1015","140619dlvsa12_2":"1281","140619dlvsa03_1":"670","140619dlvsa02_1":"1051","140619dlvsa05_1":"1289","140619dlvsa04_1":"1525","140619dlvsa01_1":"1315","140619dlvsa06_2":"1459","140619dlvsa07_2":"289","140619dlvsa08_3":"2046","140619dlvsa09_2":"656","140619dlvsa10_2":"1429"},{"":"aspartic acid","140619dlvsa11_1":"1055","140619dlvsa12_2":"4356","140619dlvsa03_1":"4290","140619dlvsa02_1":"3481","140619dlvsa05_1":"5837","140619dlvsa04_1":"2070","140619dlvsa01_1":"5523","140619dlvsa06_2":"3365","140619dlvsa07_2":"4574","140619dlvsa08_3":"2565","140619dlvsa09_2":"4333","140619dlvsa10_2":"5081"},{"":"asparagine","140619dlvsa11_1":"338","140619dlvsa12_2":"213","140619dlvsa03_1":"431","140619dlvsa02_1":"262","140619dlvsa05_1":"355","140619dlvsa04_1":"85","140619dlvsa01_1":"211","140619dlvsa06_2":"152","140619dlvsa07_2":"95","140619dlvsa08_3":"203","140619dlvsa09_2":"255","140619dlvsa10_2":"204"},{"":"arachidic acid","140619dlvsa11_1":"37590","140619dlvsa12_2":"3543","140619dlvsa03_1":"4809","140619dlvsa02_1":"3241","140619dlvsa05_1":"3905","140619dlvsa04_1":"6656","140619dlvsa01_1":"7171","140619dlvsa06_2":"70912","140619dlvsa07_2":"84134","140619dlvsa08_3":"9199","140619dlvsa09_2":"6134","140619dlvsa10_2":"5833"},{"":"alpha-ketoglutarate","140619dlvsa11_1":"950","140619dlvsa12_2":"2302","140619dlvsa03_1":"1489","140619dlvsa02_1":"2588","140619dlvsa05_1":"1200","140619dlvsa04_1":"1241","140619dlvsa01_1":"987","140619dlvsa06_2":"485","140619dlvsa07_2":"707","140619dlvsa08_3":"1736","140619dlvsa09_2":"1355","140619dlvsa10_2":"1557"},{"":"alanine-alanine","140619dlvsa11_1":"248","140619dlvsa12_2":"475","140619dlvsa03_1":"382","140619dlvsa02_1":"253","140619dlvsa05_1":"398","140619dlvsa04_1":"274","140619dlvsa01_1":"191","140619dlvsa06_2":"145","140619dlvsa07_2":"362","140619dlvsa08_3":"252","140619dlvsa09_2":"258","140619dlvsa10_2":"421"},{"":"alanine","140619dlvsa11_1":"8548","140619dlvsa12_2":"11958","140619dlvsa03_1":"11768","140619dlvsa02_1":"17066","140619dlvsa05_1":"10382","140619dlvsa04_1":"10680","140619dlvsa01_1":"24151","140619dlvsa06_2":"12244","140619dlvsa07_2":"13738","140619dlvsa08_3":"27389","140619dlvsa09_2":"21028","140619dlvsa10_2":"21827"},{"":"adipic acid","140619dlvsa11_1":"2125","140619dlvsa12_2":"3189","140619dlvsa03_1":"3753","140619dlvsa02_1":"3316","140619dlvsa05_1":"3690","140619dlvsa04_1":"2894","140619dlvsa01_1":"2171","140619dlvsa06_2":"1666","140619dlvsa07_2":"2367","140619dlvsa08_3":"2739","140619dlvsa09_2":"1942","140619dlvsa10_2":"1837"},{"":"adenosine","140619dlvsa11_1":"111755","140619dlvsa12_2":"106015","140619dlvsa03_1":"36060","140619dlvsa02_1":"95007","140619dlvsa05_1":"81017","140619dlvsa04_1":"111389","140619dlvsa01_1":"189643","140619dlvsa06_2":"200223","140619dlvsa07_2":"213457","140619dlvsa08_3":"212043","140619dlvsa09_2":"164373","140619dlvsa10_2":"137716"},{"":"adenine","140619dlvsa11_1":"12060","140619dlvsa12_2":"24250","140619dlvsa03_1":"20393","140619dlvsa02_1":"25507","140619dlvsa05_1":"27785","140619dlvsa04_1":"19963","140619dlvsa01_1":"14974","140619dlvsa06_2":"14605","140619dlvsa07_2":"19351","140619dlvsa08_3":"16462","140619dlvsa09_2":"16172","140619dlvsa10_2":"14691"},{"":"acetophenone NIST","140619dlvsa11_1":"3760","140619dlvsa12_2":"2981","140619dlvsa03_1":"4589","140619dlvsa02_1":"3322","140619dlvsa05_1":"6367","140619dlvsa04_1":"3760","140619dlvsa01_1":"4862","140619dlvsa06_2":"2306","140619dlvsa07_2":"1910","140619dlvsa08_3":"2222","140619dlvsa09_2":"2147","140619dlvsa10_2":"1681"},{"":"6-deoxyglucose","140619dlvsa11_1":"4337","140619dlvsa12_2":"5322","140619dlvsa03_1":"5028","140619dlvsa02_1":"6112","140619dlvsa05_1":"6613","140619dlvsa04_1":"5391","140619dlvsa01_1":"3640","140619dlvsa06_2":"4994","140619dlvsa07_2":"3731","140619dlvsa08_3":"5656","140619dlvsa09_2":"5222","140619dlvsa10_2":"4284"},{"":"5-hydroxymethyl-2-furoic acid NIST","140619dlvsa11_1":"359","140619dlvsa12_2":"17156","140619dlvsa03_1":"16882","140619dlvsa02_1":"240","140619dlvsa05_1":"525","140619dlvsa04_1":"309","140619dlvsa01_1":"161","140619dlvsa06_2":"240","140619dlvsa07_2":"257","140619dlvsa08_3":"566","140619dlvsa09_2":"214","140619dlvsa10_2":"299"},{"":"5'-deoxy-5'-methylthioadenosine","140619dlvsa11_1":"218","140619dlvsa12_2":"461","140619dlvsa03_1":"299","140619dlvsa02_1":"350","140619dlvsa05_1":"393","140619dlvsa04_1":"253","140619dlvsa01_1":"2004","140619dlvsa06_2":"1657","140619dlvsa07_2":"1785","140619dlvsa08_3":"1868","140619dlvsa09_2":"899","140619dlvsa10_2":"501"},{"":"4-hydroxybenzoate","140619dlvsa11_1":"638","140619dlvsa12_2":"938","140619dlvsa03_1":"710","140619dlvsa02_1":"1058","140619dlvsa05_1":"1583","140619dlvsa04_1":"651","140619dlvsa01_1":"363","140619dlvsa06_2":"533","140619dlvsa07_2":"852","140619dlvsa08_3":"445","140619dlvsa09_2":"652","140619dlvsa10_2":"283"},{"":"3-phosphoglycerate","140619dlvsa11_1":"2333","140619dlvsa12_2":"3283","140619dlvsa03_1":"4318","140619dlvsa02_1":"3056","140619dlvsa05_1":"11633","140619dlvsa04_1":"6429","140619dlvsa01_1":"3718","140619dlvsa06_2":"4312","140619dlvsa07_2":"4153","140619dlvsa08_3":"9115","140619dlvsa09_2":"2984","140619dlvsa10_2":"2052"},{"":"3-hydroxypropionic acid","140619dlvsa11_1":"908","140619dlvsa12_2":"974","140619dlvsa03_1":"690","140619dlvsa02_1":"1044","140619dlvsa05_1":"708","140619dlvsa04_1":"986","140619dlvsa01_1":"532","140619dlvsa06_2":"645","140619dlvsa07_2":"698","140619dlvsa08_3":"797","140619dlvsa09_2":"361","140619dlvsa10_2":"603"},{"":"3-hydroxypalmitic acid","140619dlvsa11_1":"678","140619dlvsa12_2":"585","140619dlvsa03_1":"1124","140619dlvsa02_1":"446","140619dlvsa05_1":"421","140619dlvsa04_1":"495","140619dlvsa01_1":"1916","140619dlvsa06_2":"1905","140619dlvsa07_2":"1800","140619dlvsa08_3":"1374","140619dlvsa09_2":"1421","140619dlvsa10_2":"1504"},{"":"2-ketoadipic acid","140619dlvsa11_1":"1582","140619dlvsa12_2":"1787","140619dlvsa03_1":"2687","140619dlvsa02_1":"1864","140619dlvsa05_1":"2187","140619dlvsa04_1":"1757","140619dlvsa01_1":"1182","140619dlvsa06_2":"1021","140619dlvsa07_2":"1525","140619dlvsa08_3":"1302","140619dlvsa09_2":"1148","140619dlvsa10_2":"1092"},{"":"2-deoxytetronic acid","140619dlvsa11_1":"172","140619dlvsa12_2":"383","140619dlvsa03_1":"297","140619dlvsa02_1":"321","140619dlvsa05_1":"188","140619dlvsa04_1":"553","140619dlvsa01_1":"421","140619dlvsa06_2":"319","140619dlvsa07_2":"443","140619dlvsa08_3":"488","140619dlvsa09_2":"288","140619dlvsa10_2":"321"},{"":"2'-deoxyguanosine","140619dlvsa11_1":"1064","140619dlvsa12_2":"741","140619dlvsa03_1":"368","140619dlvsa02_1":"462","140619dlvsa05_1":"678","140619dlvsa04_1":"590","140619dlvsa01_1":"743","140619dlvsa06_2":"4546","140619dlvsa07_2":"634","140619dlvsa08_3":"679","140619dlvsa09_2":"6785","140619dlvsa10_2":"589"},{"":"2,3-dihydroxypyridine","140619dlvsa11_1":"394","140619dlvsa12_2":"614","140619dlvsa03_1":"482","140619dlvsa02_1":"422","140619dlvsa05_1":"272","140619dlvsa04_1":"597","140619dlvsa01_1":"828","140619dlvsa06_2":"486","140619dlvsa07_2":"543","140619dlvsa08_3":"324","140619dlvsa09_2":"463","140619dlvsa10_2":"349"},{"":"1-monopalmitin","140619dlvsa11_1":"871","140619dlvsa12_2":"860","140619dlvsa03_1":"779","140619dlvsa02_1":"585","140619dlvsa05_1":"500","140619dlvsa04_1":"597","140619dlvsa01_1":"636","140619dlvsa06_2":"435","140619dlvsa07_2":"470","140619dlvsa08_3":"572","140619dlvsa09_2":"317","140619dlvsa10_2":"528"},{"":"1-hexadecanol","140619dlvsa11_1":"602","140619dlvsa12_2":"446","140619dlvsa03_1":"847","140619dlvsa02_1":"627","140619dlvsa05_1":"574","140619dlvsa04_1":"448","140619dlvsa01_1":"383","140619dlvsa06_2":"342","140619dlvsa07_2":"596","140619dlvsa08_3":"478","140619dlvsa09_2":"304","140619dlvsa10_2":"325"},{"":"1,2,4-benzenetriol","140619dlvsa11_1":"254","140619dlvsa12_2":"1019","140619dlvsa03_1":"3557","140619dlvsa02_1":"1095","140619dlvsa05_1":"3636","140619dlvsa04_1":"2459","140619dlvsa01_1":"520","140619dlvsa06_2":"462","140619dlvsa07_2":"530","140619dlvsa08_3":"340","140619dlvsa09_2":"647","140619dlvsa10_2":"596"},{"":"2,5-dihydroxypyrazine NIST","140619dlvsa11_1":"724","140619dlvsa12_2":"647","140619dlvsa03_1":"727","140619dlvsa02_1":"499","140619dlvsa05_1":"990","140619dlvsa04_1":"1494","140619dlvsa01_1":"1271","140619dlvsa06_2":"1297","140619dlvsa07_2":"711","140619dlvsa08_3":"2409","140619dlvsa09_2":"494","140619dlvsa10_2":"794"}],

"Metabolites":[{"Metabolite":"xylulose NIST","retention index":"553450","quantified mz":"173","KEGG ID":"C00312","PubChem ID":"439205"},{"Metabolite":"xanthosine","retention index":"926133","quantified mz":"325","KEGG ID":"C01762","PubChem ID":"64959"},{"Metabolite":"valine","retention index":"313502","quantified mz":"144","KEGG ID":"C00183","PubChem ID":"6287"},{"Metabolite":"uridine","retention index":"861508","quantified mz":"217","KEGG ID":"C00299","PubChem ID":"6029"},{"Metabolite":"urea","retention index":"326574","quantified mz":"189","KEGG ID":"C00086","PubChem ID":"1176"},{"Metabolite":"uracil","retention index":"385816","quantified mz":"241","KEGG ID":"C00106","PubChem ID":"1174"},{"Metabolite":"UDP-N-acetylglucosamine","retention index":"623789","quantified mz":"226","KEGG ID":"C00043","PubChem ID":"445675"},{"Metabolite":"tyrosine","retention index":"671252","quantified mz":"218","KEGG ID":"C00082","PubChem ID":"6057"},{"Metabolite":"tryptophan","retention index":"780482","quantified mz":"202","KEGG ID":"C00078","PubChem ID":"6305"},{"Metabolite":"trans-4-hydroxy-L-proline","retention index":"457910","quantified mz":"158","KEGG ID":"C01157","PubChem ID":"5810"},{"Metabolite":"thymine","retention index":"420133","quantified mz":"255","KEGG ID":"C00178","PubChem ID":"1135"},{"Metabolite":"thymidine-5-phosphate","retention index":"608111","quantified mz":"170","KEGG ID":"C00364","PubChem ID":"9700"},{"Metabolite":"thymidine","retention index":"349402","quantified mz":"170","KEGG ID":"C00214","PubChem ID":"5789"},{"Metabolite":"threonine","retention index":"409568","quantified mz":"218","KEGG ID":"C00188","PubChem ID":"6288"},{"Metabolite":"threitol","retention index":"467595","quantified mz":"217","KEGG ID":"C16884","PubChem ID":"169019"},{"Metabolite":"sulfuric acid","retention index":"282411","quantified mz":"227","KEGG ID":"C00059","PubChem ID":"1118"},{"Metabolite":"sucrose","retention index":"915139","quantified mz":"271","KEGG ID":"C00089","PubChem ID":"5988"},{"Metabolite":"stearic acid","retention index":"787622","quantified mz":"117","KEGG ID":"C01530","PubChem ID":"5281"},{"Metabolite":"spermidine","retention index":"792924","quantified mz":"144","KEGG ID":"C00315","PubChem ID":"1102"},{"Metabolite":"sorbitol","retention index":"667922","quantified mz":"217","KEGG ID":"C00794","PubChem ID":"5780"},{"Metabolite":"serine","retention index":"395020","quantified mz":"218","KEGG ID":"C00065","PubChem ID":"5951"},{"Metabolite":"salicylaldehyde","retention index":"406586","quantified mz":"119","KEGG ID":"C06202","PubChem ID":"6998"},{"Metabolite":"ribose-5-phosphate","retention index":"731096","quantified mz":"315","KEGG ID":"C00117","PubChem ID":"439167"},{"Metabolite":"ribose","retention index":"553135","quantified mz":"217","KEGG ID":"C00121","PubChem ID":"5779"},{"Metabolite":"ribonic acid","retention index":"599680","quantified mz":"292","KEGG ID":"C01685","PubChem ID":"5460677"},{"Metabolite":"pyrophosphate","retention index":"326948","quantified mz":"110","KEGG ID":"C00013","PubChem ID":"1023"},{"Metabolite":"putrescine","retention index":"588119","quantified mz":"174","KEGG ID":"C00138","PubChem ID":"1049"},{"Metabolite":"propane-1,3-diol NIST","retention index":"214380","quantified mz":"177","KEGG ID":"C02457","PubChem ID":"10442"},{"Metabolite":"proline","retention index":"364716","quantified mz":"142","KEGG ID":"C00148","PubChem ID":"145742"},{"Metabolite":"pimelic acid","retention index":"523205","quantified mz":"155","KEGG ID":"C02656","PubChem ID":"385"},{"Metabolite":"phytol","retention index":"761712","quantified mz":"143","KEGG ID":"C01389","PubChem ID":"5280435"},{"Metabolite":"phosphate","retention index":"345365","quantified mz":"314","KEGG ID":"C00009","PubChem ID":"1004"},{"Metabolite":"phenylalanine","retention index":"537804","quantified mz":"218","KEGG ID":"C00079","PubChem ID":"6140"},{"Metabolite":"pentadecanoic acid","retention index":"674647","quantified mz":"117","KEGG ID":"C16537","PubChem ID":"13849"},{"Metabolite":"pelargonic acid","retention index":"399229","quantified mz":"117","KEGG ID":"C01601","PubChem ID":"8158"},{"Metabolite":"p-cresol","retention index":"280360","quantified mz":"165","KEGG ID":"C01468","PubChem ID":"2879"},{"Metabolite":"parabanic acid NIST","retention index":"464991","quantified mz":"100","KEGG ID":"C00802","PubChem ID":"67126"},{"Metabolite":"palmitoleic acid","retention index":"706508","quantified mz":"117","KEGG ID":"C08362","PubChem ID":"445638"},{"Metabolite":"palmitic acid","retention index":"713809","quantified mz":"313","KEGG ID":"C00249","PubChem ID":"985"},{"Metabolite":"oxoproline","retention index":"485935","quantified mz":"156","KEGG ID":"C01879","PubChem ID":"7405"},{"Metabolite":"oxalic acid","retention index":"260513","quantified mz":"190","KEGG ID":"C00209","PubChem ID":"971"},{"Metabolite":"ornithine","retention index":"619548","quantified mz":"142","KEGG ID":"C00077","PubChem ID":"6262"},{"Metabolite":"oleic acid","retention index":"779120","quantified mz":"339","KEGG ID":"C00712","PubChem ID":"445639"},{"Metabolite":"oleamide NIST","retention index":"849710","quantified mz":"144","KEGG ID":"C19670","PubChem ID":"5283387"},{"Metabolite":"octanol NIST","retention index":"247010","quantified mz":"187","KEGG ID":"","PubChem ID":""},{"Metabolite":"octadecanol","retention index":"755409","quantified mz":"327","KEGG ID":"","PubChem ID":"8221"},{"Metabolite":"nicotinic acid","retention index":"366992","quantified mz":"180","KEGG ID":"C00253","PubChem ID":"938"},{"Metabolite":"nicotinamide","retention index":"471602","quantified mz":"179","KEGG ID":"C00153","PubChem ID":"936"},{"Metabolite":"N-acetylglutamate","retention index":"604748","quantified mz":"216","KEGG ID":"C00624","PubChem ID":"70914"},{"Metabolite":"N-acetyl-D-mannosamine","retention index":"726375","quantified mz":"319","KEGG ID":"","PubChem ID":""},{"Metabolite":"myristic acid","retention index":"634414","quantified mz":"117","KEGG ID":"C06424","PubChem ID":"11005"},{"Metabolite":"methionine","retention index":"483560","quantified mz":"176","KEGG ID":"C00073","PubChem ID":"6137"},{"Metabolite":"mannose-6-phosphate NIST","retention index":"822643","quantified mz":"387","KEGG ID":"C00275","PubChem ID":"65127"},{"Metabolite":"maltotriose","retention index":"1179224","quantified mz":"361","KEGG ID":"C01835","PubChem ID":"439586"},{"Metabolite":"maltotriitol","retention index":"1214242","quantified mz":"361","KEGG ID":"","PubChem ID":"3625615"},{"Metabolite":"maltose","retention index":"946601","quantified mz":"204","KEGG ID":"C00208","PubChem ID":"439186"},{"Metabolite":"maltitol","retention index":"976828","quantified mz":"361","KEGG ID":"D04845","PubChem ID":"493591"},{"Metabolite":"maleimide","retention index":"245118","quantified mz":"154","KEGG ID":"C07272","PubChem ID":"10935"},{"Metabolite":"lyxitol","retention index":"573587","quantified mz":"217","KEGG ID":"C00532","PubChem ID":"439255"},{"Metabolite":"lysopalmitoyl monogalactosylglycerol","retention index":"1183271","quantified mz":"204","KEGG ID":"","PubChem ID":"53483072"},{"Metabolite":"lysine","retention index":"663483","quantified mz":"156","KEGG ID":"C00047","PubChem ID":"5962"},{"Metabolite":"levoglucosan","retention index":"569637","quantified mz":"204","KEGG ID":"","PubChem ID":"2724705"},{"Metabolite":"leucine","retention index":"346101","quantified mz":"158","KEGG ID":"C00123","PubChem ID":"6106"},{"Metabolite":"lauric acid","retention index":"547906","quantified mz":"117","KEGG ID":"C02679","PubChem ID":"3893"},{"Metabolite":"lactic acid","retention index":"217657","quantified mz":"191","KEGG ID":"C01432","PubChem ID":"612"},{"Metabolite":"isothreonic acid","retention index":"489385","quantified mz":"292","KEGG ID":"C00639","PubChem ID":"151152"},{"Metabolite":"isoleucine","retention index":"359251","quantified mz":"158","KEGG ID":"C00407","PubChem ID":"6306"},{"Metabolite":"inulotriose","retention index":"1131821","quantified mz":"361","KEGG ID":"C01355","PubChem ID":"22833608"},{"Metabolite":"hydroxylamine","retention index":"255241","quantified mz":"146","KEGG ID":"C00192","PubChem ID":"787"},{"Metabolite":"homoserine","retention index":"443878","quantified mz":"218","KEGG ID":"C00263","PubChem ID":"12647"},{"Metabolite":"hexose-6-phosphate","retention index":"806282","quantified mz":"387","KEGG ID":"C02965","PubChem ID":"208"},{"Metabolite":"heptadecanoic acid","retention index":"751309","quantified mz":"117","KEGG ID":"","PubChem ID":"10465"},{"Metabolite":"guanosine","retention index":"954962","quantified mz":"324","KEGG ID":"C00387","PubChem ID":"6802"},{"Metabolite":"guanine","retention index":"744307","quantified mz":"352","KEGG ID":"C00242","PubChem ID":"764"},{"Metabolite":"glycolic acid","retention index":"227636","quantified mz":"177","KEGG ID":"C00160","PubChem ID":"757"},{"Metabolite":"glycine","retention index":"368707","quantified mz":"248","KEGG ID":"C00037","PubChem ID":"750"},{"Metabolite":"glycerol-alpha-phosphate","retention index":"590747","quantified mz":"357","KEGG ID":"C03189","PubChem ID":"754"},{"Metabolite":"glycerol-3-galactoside","retention index":"805227","quantified mz":"204","KEGG ID":"C05401","PubChem ID":"16048618"},{"Metabolite":"glycerol","retention index":"344466","quantified mz":"205","KEGG ID":"C00116","PubChem ID":"753"},{"Metabolite":"glyceric acid","retention index":"377495","quantified mz":"189","KEGG ID":"C00258","PubChem ID":"439194"},{"Metabolite":"glutaric acid","retention index":"421596","quantified mz":"261","KEGG ID":"C00489","PubChem ID":"743"},{"Metabolite":"glutamine","retention index":"600315","quantified mz":"156","KEGG ID":"C00064","PubChem ID":"5961"},{"Metabolite":"glutamic acid","retention index":"529100","quantified mz":"246","KEGG ID":"C00025","PubChem ID":"33032"},{"Metabolite":"glucose-6-phosphate","retention index":"810287","quantified mz":"387","KEGG ID":"C01172","PubChem ID":"439427"},{"Metabolite":"glucose-1-phosphate","retention index":"594647","quantified mz":"217","KEGG ID":"C00103","PubChem ID":"65533"},{"Metabolite":"glucose","retention index":"650867","quantified mz":"319","KEGG ID":"C00221","PubChem ID":"64689"},{"Metabolite":"gluconic acid","retention index":"693148","quantified mz":"333","KEGG ID":"C00800","PubChem ID":"6857417"},{"Metabolite":"galactinol","retention index":"1048207","quantified mz":"204","KEGG ID":"C01235","PubChem ID":"11727586"},{"Metabolite":"fumaric acid","retention index":"390775","quantified mz":"245","KEGG ID":"C00122","PubChem ID":"444972"},{"Metabolite":"fucose","retention index":"578299","quantified mz":"160","KEGG ID":"C02095","PubChem ID":"439650"},{"Metabolite":"fructose-6-phosphate","retention index":"804279","quantified mz":"315","KEGG ID":"C05345","PubChem ID":"440641"},{"Metabolite":"fructose","retention index":"639442","quantified mz":"307","KEGG ID":"C02336","PubChem ID":"439709"},{"Metabolite":"erythrose","retention index":"443306","quantified mz":"205","KEGG ID":"C01796","PubChem ID":"439574"},{"Metabolite":"erythronic acid","retention index":"512029","quantified mz":"217","KEGG ID":"","PubChem ID":"2781043"},{"Metabolite":"enolpyruvate NIST","retention index":"234394","quantified mz":"217","KEGG ID":"C00074","PubChem ID":"1005"},{"Metabolite":"cytosin","retention index":"486724","quantified mz":"254","KEGG ID":"C00380","PubChem ID":"597"},{"Metabolite":"cytidine","retention index":"937026","quantified mz":"223","KEGG ID":"C00475","PubChem ID":"6175"},{"Metabolite":"citric acid","retention index":"617342","quantified mz":"273","KEGG ID":"C00158","PubChem ID":"311"},{"Metabolite":"capric acid","retention index":"452386","quantified mz":"229","KEGG ID":"C01571","PubChem ID":"2969"},{"Metabolite":"butyrolactam NIST","retention index":"277199","quantified mz":"142","KEGG ID":"","PubChem ID":"12025"},{"Metabolite":"beta-glycerolphosphate","retention index":"574470","quantified mz":"243","KEGG ID":"C02979","PubChem ID":"2526"},{"Metabolite":"beta-alanine","retention index":"435564","quantified mz":"248","KEGG ID":"C00099","PubChem ID":"239"},{"Metabolite":"benzoic acid","retention index":"339214","quantified mz":"179","KEGG ID":"C00180","PubChem ID":"243"},{"Metabolite":"behenic acid","retention index":"920648","quantified mz":"117","KEGG ID":"C08281","PubChem ID":"8215"},{"Metabolite":"azelaic acid","retention index":"610651","quantified mz":"317","KEGG ID":"C08261","PubChem ID":"2266"},{"Metabolite":"aspartic acid","retention index":"480387","quantified mz":"232","KEGG ID":"C00049","PubChem ID":"5960"},{"Metabolite":"asparagine","retention index":"553078","quantified mz":"188","KEGG ID":"C00152","PubChem ID":"6267"},{"Metabolite":"arachidic acid","retention index":"856421","quantified mz":"117","KEGG ID":"C06425","PubChem ID":"10467"},{"Metabolite":"alpha-ketoglutarate","retention index":"507392","quantified mz":"198","KEGG ID":"C00026","PubChem ID":"51"},{"Metabolite":"alanine-alanine","retention index":"636898","quantified mz":"188","KEGG ID":"C00993","PubChem ID":"5484352"},{"Metabolite":"alanine","retention index":"243971","quantified mz":"116","KEGG ID":"C00041","PubChem ID":"5950"},{"Metabolite":"adipic acid","retention index":"474435","quantified mz":"111","KEGG ID":"C06104","PubChem ID":"196"},{"Metabolite":"adenosine","retention index":"918039","quantified mz":"236","KEGG ID":"C00212","PubChem ID":"60961"},{"Metabolite":"adenine","retention index":"646534","quantified mz":"264","KEGG ID":"C00147","PubChem ID":"190"},{"Metabolite":"acetophenone NIST","retention index":"238615","quantified mz":"105","KEGG ID":"C07113","PubChem ID":"7410"},{"Metabolite":"6-deoxyglucose","retention index":"573663","quantified mz":"117","KEGG ID":"C08352","PubChem ID":"441480"},{"Metabolite":"5-hydroxymethyl-2-furoic acid NIST","retention index":"497561","quantified mz":"123","KEGG ID":"C20448","PubChem ID":"80642"},{"Metabolite":"5'-deoxy-5'-methylthioadenosine","retention index":"967036","quantified mz":"236","KEGG ID":"C00170","PubChem ID":"439176"},{"Metabolite":"4-hydroxybenzoate","retention index":"537925","quantified mz":"223","KEGG ID":"C00156","PubChem ID":"135"},{"Metabolite":"3-phosphoglycerate","retention index":"610734","quantified mz":"227","KEGG ID":"C00597","PubChem ID":"724"},{"Metabolite":"3-hydroxypropionic acid","retention index":"269265","quantified mz":"177","KEGG ID":"C01013","PubChem ID":"68152"},{"Metabolite":"3-hydroxypalmitic acid","retention index":"774930","quantified mz":"233","KEGG ID":"","PubChem ID":"15569776"},{"Metabolite":"2-ketoadipic acid","retention index":"331841","quantified mz":"100","KEGG ID":"","PubChem ID":""},{"Metabolite":"2-deoxytetronic acid","retention index":"433456","quantified mz":"189","KEGG ID":"","PubChem ID":"150929"},{"Metabolite":"2'-deoxyguanosine","retention index":"962182","quantified mz":"295","KEGG ID":"C00330","PubChem ID":"187790"},{"Metabolite":"2,3-dihydroxypyridine","retention index":"373895","quantified mz":"240","KEGG ID":"","PubChem ID":"28115"},{"Metabolite":"1-monopalmitin","retention index":"901749","quantified mz":"129","KEGG ID":"C01885","PubChem ID":"14900"},{"Metabolite":"1-hexadecanol","retention index":"679596","quantified mz":"299","KEGG ID":"C00823","PubChem ID":"2682"},{"Metabolite":"1,2,4-benzenetriol","retention index":"521803","quantified mz":"239","KEGG ID":"C02814","PubChem ID":"10787"},{"Metabolite":"2,5-dihydroxypyrazine NIST","retention index":"397526","quantified mz":"241","KEGG ID":"","PubChem ID":"23368901"}]
}

}