{
"METABOLOMICS WORKBENCH":{"STUDY_ID":"ST000117","ANALYSIS_ID":"AN000198","VERSION":"1","CREATED_ON":"2016-09-17"},

"PROJECT":{"PROJECT_TITLE":"Metabolomics analysis of multiple metabolic functions in the YjgF/YER057c/UK114 protein family","PROJECT_SUMMARY":"-","INSTITUTE":"University of California, Davis","DEPARTMENT":"Genome Center","LABORATORY":"Fiehn Laboratory","LAST_NAME":"Fiehn","FIRST_NAME":"Oliver","ADDRESS":"451 Health Sciences Drive, Davis, California 95616, USA","EMAIL":"ofiehn@ucdavis.edu","PHONE":"-","FUNDING_SOURCE":"U.S. National Science Foundation award MCB-1153413"},

"STUDY":{"STUDY_TITLE":"Metabolomics analysis of multiple metabolic functions in the YjgF/YER057c/UK114 protein family GC-MS (Part 1)","STUDY_TYPE":"wildtype vs knock-out","STUDY_SUMMARY":"Metabolomics analysis of wild-type S. enterica, single RidA knock-out and Rid (ridA Rid2 Rid7) knock-out S.enterica cells","INSTITUTE":"University of California, Davis","DEPARTMENT":"Genome Center","LABORATORY":"Fiehn Laboratory","LAST_NAME":"ElBadawi-Sidhu","FIRST_NAME":"Mona","ADDRESS":"451 Health Sciences Drive, Davis, California 95616, USA","EMAIL":"mmelbadawi@ucdavis.edu","PHONE":"-","NUM_GROUPS":"3","TOTAL_SUBJECTS":"6"},

"SUBJECT":{"SUBJECT_TYPE":"Bacterial cells","SUBJECT_SPECIES":"Salmonella enterica;Escherichia coli","GENOTYPE_STRAIN":"DM3480|DM14100|Salmonella enterica subsp.enterica serovar Typhimurium |yjeF::kan","SPECIES_GROUP":"Microorganism"},
"SUBJECT_SAMPLE_FACTORS":[
{
"Subject ID":"-",
"Sample ID":"140826bmssa03_1",
"Factors":{"genotype":"single RidA knockout"}
},
{
"Subject ID":"-",
"Sample ID":"140826bmssa06_1",
"Factors":{"genotype":"single RidA knockout"}
},
{
"Subject ID":"-",
"Sample ID":"140826bmssa07_1",
"Factors":{"genotype":"single RidA knockout"}
},
{
"Subject ID":"-",
"Sample ID":"140826bmssa09_1",
"Factors":{"genotype":"single RidA knockout"}
},
{
"Subject ID":"-",
"Sample ID":"140826bmssa10_1",
"Factors":{"genotype":"single RidA knockout"}
},
{
"Subject ID":"-",
"Sample ID":"140826bmssa16_1",
"Factors":{"genotype":"single RidA knockout"}
},
{
"Subject ID":"-",
"Sample ID":"140826bmssa01_1",
"Factors":{"genotype":"triple RidA knockout"}
},
{
"Subject ID":"-",
"Sample ID":"140826bmssa04_1",
"Factors":{"genotype":"triple RidA knockout"}
},
{
"Subject ID":"-",
"Sample ID":"140826bmssa05_1",
"Factors":{"genotype":"triple RidA knockout"}
},
{
"Subject ID":"-",
"Sample ID":"140826bmssa15_1",
"Factors":{"genotype":"triple RidA knockout"}
},
{
"Subject ID":"-",
"Sample ID":"140826bmssa17_1",
"Factors":{"genotype":"triple RidA knockout"}
},
{
"Subject ID":"-",
"Sample ID":"140826bmssa18_1",
"Factors":{"genotype":"triple RidA knockout"}
},
{
"Subject ID":"-",
"Sample ID":"140826bmssa02_1",
"Factors":{"genotype":"Wild Type"}
},
{
"Subject ID":"-",
"Sample ID":"140826bmssa08_1",
"Factors":{"genotype":"Wild Type"}
},
{
"Subject ID":"-",
"Sample ID":"140826bmssa11_1",
"Factors":{"genotype":"Wild Type"}
},
{
"Subject ID":"-",
"Sample ID":"140826bmssa12_1",
"Factors":{"genotype":"Wild Type"}
},
{
"Subject ID":"-",
"Sample ID":"140826bmssa13_1",
"Factors":{"genotype":"Wild Type"}
},
{
"Subject ID":"-",
"Sample ID":"140826bmssa14_1",
"Factors":{"genotype":"Wild Type"}
}
],
"COLLECTION":{"COLLECTION_SUMMARY":"-","SAMPLE_TYPE":"Bacterial Cells","COLLECTION_METHOD":"6 independent colonies of each cell line were grown in M9 minimal medium at 37C OD600 reached 1.5-2.0. An equivalent of 1 mL at OD 2.0 was placed into a 1.5 mL tube and spun for 15 sec. After removal of a 0.5 mL medium aliquot, remaining was removed and cell pellet was frozen in liquid nitrogen.","COLLECTION_LOCATION":"University of Florida, Gainesville","COLLECTION_VIALS":"1.5 mL eppendorf tube","STORAGE_VIALS":"1.5 mL eppendorf tube"},

"TREATMENT":{"TREATMENT_SUMMARY":"-"},

"SAMPLEPREP":{"SAMPLEPREP_SUMMARY":"-","EXTRACTION_METHOD":"1 mL of cold, degassed extraction solvent (3:3:2 acetonitrile:isopropanol:water was added to each sample, vortexed for 10 seconds, then shaken at 4C for 4 min. were spun down using a centrifuge at 14 rcf for 2 min. Aliquots (450 uL) were to 1.5 mL eppendorf tubes and dried down using a Labconco centrivap evaporator.","EXTRACT_STORAGE":"-80C","SAMPLE_DERIVATIZATION":"10 uL of 40 mg/mL methoxyamine hydrochloride in pyridine was added to room samples and shaken for 90 min at 30C. 91 uL of silyating agent (MSTFA) a set of 13 C8 - C30 fatty acid methyl ester internal standards was added and were shaken for 30 min at 37C. Derivatized samples were transferred to glass with inserts for analysis.","SAMPLE_SPIKING":"Set of 13 C8 - C30 fatty acid methyl esters (FAMES)"},

"CHROMATOGRAPHY":{"CHROMATOGRAPHY_SUMMARY":"Untargeted GC MS","CHROMATOGRAPHY_TYPE":"GC","INSTRUMENT_NAME":"Agilent 6890N","COLUMN_NAME":"Restek corporation Rtx-5Sil MS","METHODS_FILENAME":"Data_Dictionary_Fiehn_laboratory_GCTOF_MS_primary_metabolism_09-27-2013_general.pdf","COLUMN_TEMPERATURE":"50-330oC","FLOW_RATE":"1ml/min","INTERNAL_STANDARD":"fatty acid methyl esters","SAMPLE_INJECTION":"0.5uL","OVEN_TEMPERATURE":"50C for 1 min, then ramped at 20C min-1 to 330C, held constant for 5 min","TRANSFERLINE_TEMPERATURE":"280C","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":"Fiehn Laboratory","ACQUISITION_DATE":"07/2014 and 08/2014","ACQUISITION_PARAMETERS_FILE":"Data_Dictionary_Fiehn_laboratory_GCTOF_MS_primary_metabolism_09-27-2013_general.pdf","SOFTWARE_VERSION":"ChromaTOF","PROCESSING_PARAMETERS_FILE":"Data_Dictionary_Fiehn_laboratory_GCTOF_MS_primary_metabolism_09-27-2013_general.pdf","DETECTOR_TYPE":"TOF","DATA_FORMAT":".peg, .txt, .cdf"},

"MS":{"INSTRUMENT_NAME":"Leco Pegasus III GC TOF","INSTRUMENT_TYPE":"GC-TOF","MS_TYPE":"EI","ION_MODE":"POSITIVE","ION_SOURCE_TEMPERATURE":"250°C","IONIZATION":"Electron Ionization (EI)","IONIZATION_ENERGY":"-70eV","MASS_ACCURACY":"Nominal","SCANNING_RANGE":"85-500 Da","MS_COMMENTS":"GCMS"},

"MS_METABOLITE_DATA":{
"Units":"Peak area",

"Data":[{"Metabolite":"2_5-dihydroxypyrazine NIST","140826bmssa03_1":"3129.6597","140826bmssa06_1":"10025.2888","140826bmssa07_1":"11194.3064","140826bmssa09_1":"10790.2459","140826bmssa10_1":"11018.3879","140826bmssa16_1":"11686.7095","140826bmssa01_1":"4337.2937","140826bmssa04_1":"5266.0649","140826bmssa05_1":"6300.0512","140826bmssa15_1":"7988.8374","140826bmssa17_1":"7774.6226","140826bmssa18_1":"4788.6260","140826bmssa02_1":"7990.0746","140826bmssa08_1":"11338.0308","140826bmssa11_1":"6073.8634","140826bmssa12_1":"7971.9646","140826bmssa13_1":"12043.0479","140826bmssa14_1":"10956.3583"},{"Metabolite":"2^-deoxyguanosine","140826bmssa03_1":"129.4092","140826bmssa06_1":"248.1351","140826bmssa07_1":"225.3449","140826bmssa09_1":"149.6819","140826bmssa10_1":"275.3278","140826bmssa16_1":"171.3398","140826bmssa01_1":"148.4951","140826bmssa04_1":"155.6281","140826bmssa05_1":"151.4766","140826bmssa15_1":"280.3518","140826bmssa17_1":"223.2308","140826bmssa18_1":"199.4891","140826bmssa02_1":"199.0237","140826bmssa08_1":"224.5486","140826bmssa11_1":"159.2463","140826bmssa12_1":"162.0200","140826bmssa13_1":"121.3222","140826bmssa14_1":"141.3590"},{"Metabolite":"2-hydroxyglutaric acid","140826bmssa03_1":"629.3374","140826bmssa06_1":"3749.3634","140826bmssa07_1":"5887.2711","140826bmssa09_1":"3912.9686","140826bmssa10_1":"5762.8964","140826bmssa16_1":"11110.3847","140826bmssa01_1":"3827.8731","140826bmssa04_1":"2673.8848","140826bmssa05_1":"1167.5505","140826bmssa15_1":"4855.0749","140826bmssa17_1":"2122.5686","140826bmssa18_1":"3182.0734","140826bmssa02_1":"1159.1919","140826bmssa08_1":"1237.8104","140826bmssa11_1":"771.9986","140826bmssa12_1":"617.0341","140826bmssa13_1":"1028.6468","140826bmssa14_1":"1738.9230"},{"Metabolite":"2-hydroxyhexanoic acid","140826bmssa03_1":"273.1216","140826bmssa06_1":"382.7168","140826bmssa07_1":"643.3760","140826bmssa09_1":"555.2390","140826bmssa10_1":"515.8441","140826bmssa16_1":"287.0498","140826bmssa01_1":"377.4250","140826bmssa04_1":"301.5294","140826bmssa05_1":"286.2318","140826bmssa15_1":"305.2983","140826bmssa17_1":"354.5431","140826bmssa18_1":"328.9354","140826bmssa02_1":"89.3180","140826bmssa08_1":"140.7618","140826bmssa11_1":"83.0851","140826bmssa12_1":"118.3619","140826bmssa13_1":"92.2879","140826bmssa14_1":"104.9798"},{"Metabolite":"2-isopropylmalic acid","140826bmssa03_1":"267.6727","140826bmssa06_1":"1084.0139","140826bmssa07_1":"1171.3579","140826bmssa09_1":"1108.4553","140826bmssa10_1":"1125.5740","140826bmssa16_1":"1401.8711","140826bmssa01_1":"994.0920","140826bmssa04_1":"828.7195","140826bmssa05_1":"450.4955","140826bmssa15_1":"932.5260","140826bmssa17_1":"565.5806","140826bmssa18_1":"637.4786","140826bmssa02_1":"300.9627","140826bmssa08_1":"421.1684","140826bmssa11_1":"278.6811","140826bmssa12_1":"258.0677","140826bmssa13_1":"391.9642","140826bmssa14_1":"349.2398"},{"Metabolite":"3-phosphoglycerate","140826bmssa03_1":"5138.9080","140826bmssa06_1":"17344.2228","140826bmssa07_1":"12211.0799","140826bmssa09_1":"11612.4851","140826bmssa10_1":"14307.5534","140826bmssa16_1":"14390.3180","140826bmssa01_1":"18792.8769","140826bmssa04_1":"16923.5801","140826bmssa05_1":"23503.4697","140826bmssa15_1":"23977.2037","140826bmssa17_1":"18805.7888","140826bmssa18_1":"16864.3685","140826bmssa02_1":"7742.5085","140826bmssa08_1":"11861.9777","140826bmssa11_1":"7345.2378","140826bmssa12_1":"8197.0462","140826bmssa13_1":"9850.9519","140826bmssa14_1":"10104.0469"},{"Metabolite":"adenine","140826bmssa03_1":"570.7627","140826bmssa06_1":"2792.5713","140826bmssa07_1":"3543.4666","140826bmssa09_1":"2818.6724","140826bmssa10_1":"3356.6788","140826bmssa16_1":"2409.8832","140826bmssa01_1":"2309.9234","140826bmssa04_1":"1362.7183","140826bmssa05_1":"1220.6657","140826bmssa15_1":"2848.6591","140826bmssa17_1":"1793.3500","140826bmssa18_1":"1884.0641","140826bmssa02_1":"2205.7654","140826bmssa08_1":"2941.4755","140826bmssa11_1":"1017.7919","140826bmssa12_1":"1725.9493","140826bmssa13_1":"2012.7050","140826bmssa14_1":"1716.0561"},{"Metabolite":"adenosine","140826bmssa03_1":"399.8064","140826bmssa06_1":"1419.4169","140826bmssa07_1":"2001.9770","140826bmssa09_1":"1866.9785","140826bmssa10_1":"1689.9433","140826bmssa16_1":"1143.7488","140826bmssa01_1":"1424.1090","140826bmssa04_1":"553.4523","140826bmssa05_1":"668.8579","140826bmssa15_1":"1850.7968","140826bmssa17_1":"983.9039","140826bmssa18_1":"980.5999","140826bmssa02_1":"1071.8156","140826bmssa08_1":"1124.9775","140826bmssa11_1":"773.7295","140826bmssa12_1":"974.0602","140826bmssa13_1":"892.8073","140826bmssa14_1":"966.6458"},{"Metabolite":"adenosine-5-monophosphate","140826bmssa03_1":"9782.6555","140826bmssa06_1":"27710.1716","140826bmssa07_1":"25762.2543","140826bmssa09_1":"22694.0040","140826bmssa10_1":"25821.7424","140826bmssa16_1":"28832.9280","140826bmssa01_1":"23039.4236","140826bmssa04_1":"23855.8380","140826bmssa05_1":"24074.9497","140826bmssa15_1":"39493.9613","140826bmssa17_1":"22929.9312","140826bmssa18_1":"17047.0119","140826bmssa02_1":"19570.3432","140826bmssa08_1":"29523.1196","140826bmssa11_1":"18089.1734","140826bmssa12_1":"21902.7714","140826bmssa13_1":"23177.7343","140826bmssa14_1":"27516.1438"},{"Metabolite":"alanine","140826bmssa03_1":"138788.6583","140826bmssa06_1":"298723.1149","140826bmssa07_1":"321789.2254","140826bmssa09_1":"271600.8770","140826bmssa10_1":"289822.1063","140826bmssa16_1":"326451.2728","140826bmssa01_1":"355673.5504","140826bmssa04_1":"292512.6873","140826bmssa05_1":"289235.7927","140826bmssa15_1":"436565.9110","140826bmssa17_1":"270250.9099","140826bmssa18_1":"238158.1140","140826bmssa02_1":"322566.0111","140826bmssa08_1":"437188.3913","140826bmssa11_1":"333648.7921","140826bmssa12_1":"309855.9150","140826bmssa13_1":"365729.5494","140826bmssa14_1":"447333.5249"},{"Metabolite":"alanine-alanine","140826bmssa03_1":"992.3643","140826bmssa06_1":"14078.5125","140826bmssa07_1":"18039.5654","140826bmssa09_1":"16825.0568","140826bmssa10_1":"18228.6016","140826bmssa16_1":"1006.8995","140826bmssa01_1":"5934.6470","140826bmssa04_1":"1667.1657","140826bmssa05_1":"16464.7239","140826bmssa15_1":"11452.8449","140826bmssa17_1":"1130.2232","140826bmssa18_1":"4952.6504","140826bmssa02_1":"3248.4556","140826bmssa08_1":"23196.6570","140826bmssa11_1":"556.4967","140826bmssa12_1":"2772.7729","140826bmssa13_1":"2535.3239","140826bmssa14_1":"881.4146"},{"Metabolite":"alpha-ketoglutarate","140826bmssa03_1":"55.8503","140826bmssa06_1":"285.9862","140826bmssa07_1":"144.7868","140826bmssa09_1":"165.8637","140826bmssa10_1":"231.0222","140826bmssa16_1":"100.1336","140826bmssa01_1":"400.1117","140826bmssa04_1":"216.9066","140826bmssa05_1":"291.1499","140826bmssa15_1":"471.6087","140826bmssa17_1":"157.5747","140826bmssa18_1":"487.6401","140826bmssa02_1":"99.0264","140826bmssa08_1":"111.7157","140826bmssa11_1":"101.2599","140826bmssa12_1":"116.4215","140826bmssa13_1":"131.6917","140826bmssa14_1":"93.5464"},{"Metabolite":"aspartic acid","140826bmssa03_1":"7906.9030","140826bmssa06_1":"33539.2435","140826bmssa07_1":"8879.8947","140826bmssa09_1":"19808.5816","140826bmssa10_1":"17591.4444","140826bmssa16_1":"3024.0362","140826bmssa01_1":"7430.9411","140826bmssa04_1":"3573.6096","140826bmssa05_1":"8390.2321","140826bmssa15_1":"10171.0671","140826bmssa17_1":"2708.7839","140826bmssa18_1":"2119.0180","140826bmssa02_1":"11993.8496","140826bmssa08_1":"20831.6347","140826bmssa11_1":"7072.6149","140826bmssa12_1":"9929.7867","140826bmssa13_1":"10988.4776","140826bmssa14_1":"9124.9283"},{"Metabolite":"benzoic acid","140826bmssa03_1":"854.1008","140826bmssa06_1":"1251.1897","140826bmssa07_1":"1624.2249","140826bmssa09_1":"1216.6713","140826bmssa10_1":"1277.4790","140826bmssa16_1":"1455.2757","140826bmssa01_1":"1400.3911","140826bmssa04_1":"1299.4944","140826bmssa05_1":"1180.3375","140826bmssa15_1":"1527.6795","140826bmssa17_1":"553.3873","140826bmssa18_1":"1161.4701","140826bmssa02_1":"1477.6298","140826bmssa08_1":"1350.6433","140826bmssa11_1":"1542.2663","140826bmssa12_1":"1185.5593","140826bmssa13_1":"1380.1702","140826bmssa14_1":"1277.4276"},{"Metabolite":"beta-alanine","140826bmssa03_1":"192.0705","140826bmssa06_1":"353.2771","140826bmssa07_1":"391.9041","140826bmssa09_1":"265.9888","140826bmssa10_1":"342.8412","140826bmssa16_1":"378.2827","140826bmssa01_1":"288.7404","140826bmssa04_1":"268.4584","140826bmssa05_1":"343.2815","140826bmssa15_1":"508.4346","140826bmssa17_1":"337.6600","140826bmssa18_1":"274.8517","140826bmssa02_1":"117.4725","140826bmssa08_1":"170.9251","140826bmssa11_1":"175.6903","140826bmssa12_1":"121.2724","140826bmssa13_1":"201.1668","140826bmssa14_1":"222.4325"},{"Metabolite":"cholesterol","140826bmssa03_1":"154.6100","140826bmssa06_1":"255.4950","140826bmssa07_1":"434.3604","140826bmssa09_1":"267.0002","140826bmssa10_1":"383.9821","140826bmssa16_1":"168.0020","140826bmssa01_1":"319.6769","140826bmssa04_1":"352.1085","140826bmssa05_1":"246.8873","140826bmssa15_1":"608.2208","140826bmssa17_1":"474.6000","140826bmssa18_1":"384.7924","140826bmssa02_1":"267.9539","140826bmssa08_1":"225.6658","140826bmssa11_1":"168.7665","140826bmssa12_1":"203.7377","140826bmssa13_1":"298.6394","140826bmssa14_1":"249.4570"},{"Metabolite":"citric acid","140826bmssa03_1":"200.9248","140826bmssa06_1":"686.5772","140826bmssa07_1":"522.5389","140826bmssa09_1":"538.0458","140826bmssa10_1":"577.0281","140826bmssa16_1":"639.7428","140826bmssa01_1":"560.9814","140826bmssa04_1":"457.1575","140826bmssa05_1":"369.8391","140826bmssa15_1":"620.1001","140826bmssa17_1":"328.2806","140826bmssa18_1":"752.7390","140826bmssa02_1":"1158.2210","140826bmssa08_1":"1298.1369","140826bmssa11_1":"919.1284","140826bmssa12_1":"1266.0842","140826bmssa13_1":"1336.6186","140826bmssa14_1":"1174.5266"},{"Metabolite":"cysteine","140826bmssa03_1":"69.4723","140826bmssa06_1":"329.0944","140826bmssa07_1":"242.7628","140826bmssa09_1":"332.7389","140826bmssa10_1":"415.6290","140826bmssa16_1":"182.4658","140826bmssa01_1":"854.8779","140826bmssa04_1":"1036.8720","140826bmssa05_1":"3023.6311","140826bmssa15_1":"934.9019","140826bmssa17_1":"397.6885","140826bmssa18_1":"481.4338","140826bmssa02_1":"87.3763","140826bmssa08_1":"263.6492","140826bmssa11_1":"54.5246","140826bmssa12_1":"93.1372","140826bmssa13_1":"103.6942","140826bmssa14_1":"129.9255"},{"Metabolite":"cysteine-glycine","140826bmssa03_1":"647.7272","140826bmssa06_1":"4639.9160","140826bmssa07_1":"4578.7467","140826bmssa09_1":"4236.6051","140826bmssa10_1":"5046.6221","140826bmssa16_1":"3439.0346","140826bmssa01_1":"6948.3321","140826bmssa04_1":"4104.6904","140826bmssa05_1":"5736.4401","140826bmssa15_1":"20373.0204","140826bmssa17_1":"4278.9032","140826bmssa18_1":"7066.3486","140826bmssa02_1":"2940.6970","140826bmssa08_1":"5633.8250","140826bmssa11_1":"1992.3103","140826bmssa12_1":"3412.1211","140826bmssa13_1":"2859.8869","140826bmssa14_1":"2909.2920"},{"Metabolite":"cytidine-5-monophosphate","140826bmssa03_1":"196.8382","140826bmssa06_1":"529.9156","140826bmssa07_1":"534.5137","140826bmssa09_1":"499.6140","140826bmssa10_1":"551.7106","140826bmssa16_1":"786.6054","140826bmssa01_1":"621.8231","140826bmssa04_1":"506.7639","140826bmssa05_1":"487.8728","140826bmssa15_1":"1069.1381","140826bmssa17_1":"675.3201","140826bmssa18_1":"452.1754","140826bmssa02_1":"512.6075","140826bmssa08_1":"539.5870","140826bmssa11_1":"611.8868","140826bmssa12_1":"861.5194","140826bmssa13_1":"880.3640","140826bmssa14_1":"743.1739"},{"Metabolite":"cytosin","140826bmssa03_1":"156.6533","140826bmssa06_1":"342.7629","140826bmssa07_1":"141.5209","140826bmssa09_1":"236.6593","140826bmssa10_1":"34.8116","140826bmssa16_1":"226.9696","140826bmssa01_1":"217.5865","140826bmssa04_1":"193.5624","140826bmssa05_1":"293.1171","140826bmssa15_1":"157.9949","140826bmssa17_1":"252.3071","140826bmssa18_1":"179.9835","140826bmssa02_1":"232.0325","140826bmssa08_1":"197.7369","140826bmssa11_1":"433.6001","140826bmssa12_1":"402.6245","140826bmssa13_1":"345.3018","140826bmssa14_1":"328.4517"},{"Metabolite":"fructose","140826bmssa03_1":"155.9722","140826bmssa06_1":"124.0675","140826bmssa07_1":"174.1796","140826bmssa09_1":"224.5229","140826bmssa10_1":"228.9124","140826bmssa16_1":"364.9315","140826bmssa01_1":"241.3045","140826bmssa04_1":"206.2072","140826bmssa05_1":"147.5422","140826bmssa15_1":"345.6880","140826bmssa17_1":"184.7751","140826bmssa18_1":"428.2367","140826bmssa02_1":"271.8373","140826bmssa08_1":"277.0550","140826bmssa11_1":"445.7167","140826bmssa12_1":"284.2626","140826bmssa13_1":"155.5413","140826bmssa14_1":"373.1461"},{"Metabolite":"fructose-1_6-bisphosphate","140826bmssa03_1":"512.8692","140826bmssa06_1":"1272.2181","140826bmssa07_1":"2136.9662","140826bmssa09_1":"1765.8421","140826bmssa10_1":"1564.4107","140826bmssa16_1":"1507.5677","140826bmssa01_1":"1977.8719","140826bmssa04_1":"2923.8624","140826bmssa05_1":"2426.5771","140826bmssa15_1":"1225.9450","140826bmssa17_1":"1890.8963","140826bmssa18_1":"1536.5097","140826bmssa02_1":"3786.3051","140826bmssa08_1":"4165.8801","140826bmssa11_1":"1260.9887","140826bmssa12_1":"2192.6056","140826bmssa13_1":"1750.3586","140826bmssa14_1":"1914.5823"},{"Metabolite":"fructose-1-phosphate","140826bmssa03_1":"133.4958","140826bmssa06_1":"322.7859","140826bmssa07_1":"550.8430","140826bmssa09_1":"475.3412","140826bmssa10_1":"404.0251","140826bmssa16_1":"399.4220","140826bmssa01_1":"512.5143","140826bmssa04_1":"536.9168","140826bmssa05_1":"446.5610","140826bmssa15_1":"509.6225","140826bmssa17_1":"434.2683","140826bmssa18_1":"454.8352","140826bmssa02_1":"656.2929","140826bmssa08_1":"860.2112","140826bmssa11_1":"629.1962","140826bmssa12_1":"581.1375","140826bmssa13_1":"563.0597","140826bmssa14_1":"657.9428"},{"Metabolite":"fructose-6-phosphate","140826bmssa03_1":"232.2555","140826bmssa06_1":"871.6271","140826bmssa07_1":"1165.9148","140826bmssa09_1":"960.7961","140826bmssa10_1":"894.5517","140826bmssa16_1":"1290.6115","140826bmssa01_1":"1289.0198","140826bmssa04_1":"1501.8109","140826bmssa05_1":"1617.0623","140826bmssa15_1":"1463.5313","140826bmssa17_1":"1238.0868","140826bmssa18_1":"1423.0225","140826bmssa02_1":"1838.7851","140826bmssa08_1":"2283.4698","140826bmssa11_1":"1967.2117","140826bmssa12_1":"2114.9912","140826bmssa13_1":"1903.8261","140826bmssa14_1":"2273.1767"},{"Metabolite":"fumaric acid","140826bmssa03_1":"4191.4964","140826bmssa06_1":"6377.9131","140826bmssa07_1":"6430.4938","140826bmssa09_1":"7506.3460","140826bmssa10_1":"6430.6456","140826bmssa16_1":"4597.2471","140826bmssa01_1":"5660.3436","140826bmssa04_1":"8128.6487","140826bmssa05_1":"4738.0713","140826bmssa15_1":"5352.8181","140826bmssa17_1":"4520.8929","140826bmssa18_1":"4236.2627","140826bmssa02_1":"5788.1926","140826bmssa08_1":"5686.3314","140826bmssa11_1":"1640.9298","140826bmssa12_1":"3427.6440","140826bmssa13_1":"5865.9826","140826bmssa14_1":"6745.7324"},{"Metabolite":"glucose","140826bmssa03_1":"288.1058","140826bmssa06_1":"341.7115","140826bmssa07_1":"2069.4716","140826bmssa09_1":"783.8073","140826bmssa10_1":"750.0310","140826bmssa16_1":"6981.5405","140826bmssa01_1":"4628.0965","140826bmssa04_1":"19713.2133","140826bmssa05_1":"7177.4354","140826bmssa15_1":"5408.6508","140826bmssa17_1":"10553.7524","140826bmssa18_1":"20114.7116","140826bmssa02_1":"21596.5018","140826bmssa08_1":"18083.4274","140826bmssa11_1":"15806.0654","140826bmssa12_1":"6405.1248","140826bmssa13_1":"21372.4178","140826bmssa14_1":"41134.4159"},{"Metabolite":"glucose-1-phosphate","140826bmssa03_1":"303.0900","140826bmssa06_1":"709.7084","140826bmssa07_1":"897.0250","140826bmssa09_1":"735.2619","140826bmssa10_1":"890.3322","140826bmssa16_1":"1030.2640","140826bmssa01_1":"1201.3664","140826bmssa04_1":"1106.9047","140826bmssa05_1":"943.2864","140826bmssa15_1":"1379.1881","140826bmssa17_1":"953.8896","140826bmssa18_1":"997.4457","140826bmssa02_1":"982.4976","140826bmssa08_1":"792.0646","140826bmssa11_1":"807.4828","140826bmssa12_1":"1001.2252","140826bmssa13_1":"1338.6925","140826bmssa14_1":"1017.5766"},{"Metabolite":"glucose-6-phosphate","140826bmssa03_1":"681.1011","140826bmssa06_1":"2235.3187","140826bmssa07_1":"2637.7326","140826bmssa09_1":"2143.0810","140826bmssa10_1":"2243.7636","140826bmssa16_1":"3664.8916","140826bmssa01_1":"3212.2372","140826bmssa04_1":"3702.9754","140826bmssa05_1":"3753.4731","140826bmssa15_1":"3658.8282","140826bmssa17_1":"3148.6800","140826bmssa18_1":"3631.5890","140826bmssa02_1":"4691.1349","140826bmssa08_1":"5605.8960","140826bmssa11_1":"4802.4890","140826bmssa12_1":"5399.0487","140826bmssa13_1":"4893.3307","140826bmssa14_1":"5753.1015"},{"Metabolite":"glutamic acid","140826bmssa03_1":"68033.8296","140826bmssa06_1":"193980.6640","140826bmssa07_1":"232722.4773","140826bmssa09_1":"207754.4588","140826bmssa10_1":"182779.7070","140826bmssa16_1":"193205.6510","140826bmssa01_1":"312946.1546","140826bmssa04_1":"265332.2446","140826bmssa05_1":"293544.0244","140826bmssa15_1":"361030.1165","140826bmssa17_1":"207674.0613","140826bmssa18_1":"251937.0505","140826bmssa02_1":"301152.0286","140826bmssa08_1":"416983.4819","140826bmssa11_1":"168293.9629","140826bmssa12_1":"253073.2517","140826bmssa13_1":"289821.2252","140826bmssa14_1":"272715.7206"},{"Metabolite":"glutamine","140826bmssa03_1":"711.7507","140826bmssa06_1":"4365.4954","140826bmssa07_1":"2535.4021","140826bmssa09_1":"2697.3086","140826bmssa10_1":"4181.6074","140826bmssa16_1":"826.6589","140826bmssa01_1":"1060.0899","140826bmssa04_1":"865.6811","140826bmssa05_1":"1633.7838","140826bmssa15_1":"2455.4538","140826bmssa17_1":"423.9510","140826bmssa18_1":"890.1649","140826bmssa02_1":"2282.4624","140826bmssa08_1":"7589.9676","140826bmssa11_1":"727.8597","140826bmssa12_1":"1183.6189","140826bmssa13_1":"1565.7829","140826bmssa14_1":"858.5478"},{"Metabolite":"glutathione","140826bmssa03_1":"343.9561","140826bmssa06_1":"279.6777","140826bmssa07_1":"192.6862","140826bmssa09_1":"140.5796","140826bmssa10_1":"179.3323","140826bmssa16_1":"359.3685","140826bmssa01_1":"1626.2273","140826bmssa04_1":"284.0212","140826bmssa05_1":"263.6087","140826bmssa15_1":"308.8621","140826bmssa17_1":"331.0944","140826bmssa18_1":"274.8517","140826bmssa02_1":"1335.8861","140826bmssa08_1":"186.5653","140826bmssa11_1":"261.3717","140826bmssa12_1":"2078.1244","140826bmssa13_1":"2700.1977","140826bmssa14_1":"319.0970"},{"Metabolite":"glyceric acid","140826bmssa03_1":"1891.4178","140826bmssa06_1":"5421.1210","140826bmssa07_1":"4070.3600","140826bmssa09_1":"3844.1958","140826bmssa10_1":"4656.3106","140826bmssa16_1":"3949.7162","140826bmssa01_1":"6430.6618","140826bmssa04_1":"3362.5390","140826bmssa05_1":"5882.0150","140826bmssa15_1":"7714.4253","140826bmssa17_1":"4547.1553","140826bmssa18_1":"3405.5013","140826bmssa02_1":"1765.0007","140826bmssa08_1":"2637.6087","140826bmssa11_1":"1411.5804","140826bmssa12_1":"1970.4345","140826bmssa13_1":"1708.8809","140826bmssa14_1":"1836.6270"},{"Metabolite":"glycerol-alpha-phosphate","140826bmssa03_1":"1486.1627","140826bmssa06_1":"3552.7479","140826bmssa07_1":"3682.8103","140826bmssa09_1":"3811.8321","140826bmssa10_1":"4616.2246","140826bmssa16_1":"6851.3668","140826bmssa01_1":"4114.5511","140826bmssa04_1":"3756.4726","140826bmssa05_1":"3632.4885","140826bmssa15_1":"7754.8150","140826bmssa17_1":"5474.7825","140826bmssa18_1":"3414.3674","140826bmssa02_1":"3857.1770","140826bmssa08_1":"3688.8539","140826bmssa11_1":"4994.6232","140826bmssa12_1":"5698.8341","140826bmssa13_1":"7126.9044","140826bmssa14_1":"5833.1356"},{"Metabolite":"glycine","140826bmssa03_1":"2652.2078","140826bmssa06_1":"5875.3344","140826bmssa07_1":"7386.3045","140826bmssa09_1":"6960.2093","140826bmssa10_1":"5711.2065","140826bmssa16_1":"7243.0006","140826bmssa01_1":"19915.8709","140826bmssa04_1":"14182.5807","140826bmssa05_1":"13451.9126","140826bmssa15_1":"15206.7075","140826bmssa17_1":"13215.6391","140826bmssa18_1":"11134.1538","140826bmssa02_1":"7480.3797","140826bmssa08_1":"5019.3884","140826bmssa11_1":"4381.8710","140826bmssa12_1":"4757.7601","140826bmssa13_1":"5977.9724","140826bmssa14_1":"5500.5263"},{"Metabolite":"glycolic acid","140826bmssa03_1":"567.3572","140826bmssa06_1":"484.7046","140826bmssa07_1":"853.4801","140826bmssa09_1":"1366.3532","140826bmssa10_1":"1086.5428","140826bmssa16_1":"1730.0869","140826bmssa01_1":"841.4721","140826bmssa04_1":"739.2333","140826bmssa05_1":"671.8087","140826bmssa15_1":"786.4105","140826bmssa17_1":"1030.8011","140826bmssa18_1":"1396.4240","140826bmssa02_1":"1375.6909","140826bmssa08_1":"1111.5716","140826bmssa11_1":"1111.2626","140826bmssa12_1":"807.1893","140826bmssa13_1":"1029.6837","140826bmssa14_1":"1177.6448"},{"Metabolite":"guanine","140826bmssa03_1":"892.9236","140826bmssa06_1":"2886.1476","140826bmssa07_1":"2194.6632","140826bmssa09_1":"2078.3537","140826bmssa10_1":"2491.6642","140826bmssa16_1":"3319.9868","140826bmssa01_1":"2002.6211","140826bmssa04_1":"1829.6025","140826bmssa05_1":"1856.0807","140826bmssa15_1":"3826.3265","140826bmssa17_1":"1874.0133","140826bmssa18_1":"1813.1346","140826bmssa02_1":"2131.9810","140826bmssa08_1":"3363.7610","140826bmssa11_1":"1553.5174","140826bmssa12_1":"2394.4029","140826bmssa13_1":"3008.1696","140826bmssa14_1":"2656.7168"},{"Metabolite":"guanosine","140826bmssa03_1":"406.6174","140826bmssa06_1":"1139.7392","140826bmssa07_1":"1010.2418","140826bmssa09_1":"1098.3417","140826bmssa10_1":"1053.8410","140826bmssa16_1":"1088.1190","140826bmssa01_1":"1136.3998","140826bmssa04_1":"833.5829","140826bmssa05_1":"780.9900","140826bmssa15_1":"1831.7899","140826bmssa17_1":"929.5031","140826bmssa18_1":"804.1629","140826bmssa02_1":"760.1736","140826bmssa08_1":"1181.9526","140826bmssa11_1":"832.5814","140826bmssa12_1":"872.1913","140826bmssa13_1":"888.6596","140826bmssa14_1":"1079.9408"},{"Metabolite":"heptadecanoic acid","140826bmssa03_1":"553.0541","140826bmssa06_1":"1052.4713","140826bmssa07_1":"1070.1160","140826bmssa09_1":"1040.6939","140826bmssa10_1":"1101.3113","140826bmssa16_1":"1048.0655","140826bmssa01_1":"839.4097","140826bmssa04_1":"806.3479","140826bmssa05_1":"1099.6811","140826bmssa15_1":"1417.2019","140826bmssa17_1":"1391.9098","140826bmssa18_1":"1219.1003","140826bmssa02_1":"1652.3824","140826bmssa08_1":"1634.4013","140826bmssa11_1":"1120.7827","140826bmssa12_1":"2104.3192","140826bmssa13_1":"2324.8246","140826bmssa14_1":"1087.2167"},{"Metabolite":"hexose-6-phosphate","140826bmssa03_1":"156.6533","140826bmssa06_1":"433.1850","140826bmssa07_1":"509.4754","140826bmssa09_1":"454.1026","140826bmssa10_1":"445.1661","140826bmssa16_1":"682.0214","140826bmssa01_1":"622.8543","140826bmssa04_1":"771.3316","140826bmssa05_1":"763.2849","140826bmssa15_1":"785.2225","140826bmssa17_1":"793.5011","140826bmssa18_1":"797.9566","140826bmssa02_1":"999.9729","140826bmssa08_1":"1196.4756","140826bmssa11_1":"1156.2670","140826bmssa12_1":"1033.2411","140826bmssa13_1":"1071.1614","140826bmssa14_1":"1219.2210"},{"Metabolite":"hexose NIST","140826bmssa03_1":"154.6100","140826bmssa06_1":"211.3354","140826bmssa07_1":"421.2970","140826bmssa09_1":"302.3979","140826bmssa10_1":"381.8723","140826bmssa16_1":"561.8610","140826bmssa01_1":"990.9984","140826bmssa04_1":"3075.5998","140826bmssa05_1":"1439.0281","140826bmssa15_1":"1022.8088","140826bmssa17_1":"805.6944","140826bmssa18_1":"3338.1183","140826bmssa02_1":"3159.1376","140826bmssa08_1":"929.4750","140826bmssa11_1":"2337.6325","140826bmssa12_1":"1886.0289","140826bmssa13_1":"2878.5518","140826bmssa14_1":"4485.0285"},{"Metabolite":"hydroxylamine","140826bmssa03_1":"1443.2533","140826bmssa06_1":"2990.2382","140826bmssa07_1":"2721.5565","140826bmssa09_1":"2810.5814","140826bmssa10_1":"2885.1404","140826bmssa16_1":"3161.9981","140826bmssa01_1":"1571.5729","140826bmssa04_1":"2347.0659","140826bmssa05_1":"2409.8556","140826bmssa15_1":"3778.8092","140826bmssa17_1":"3567.9412","140826bmssa18_1":"3237.0438","140826bmssa02_1":"2008.6834","140826bmssa08_1":"2400.7713","140826bmssa11_1":"1747.3825","140826bmssa12_1":"3271.4451","140826bmssa13_1":"3584.7095","140826bmssa14_1":"2656.7168"},{"Metabolite":"hypoxanthine","140826bmssa03_1":"2821.1209","140826bmssa06_1":"7754.2218","140826bmssa07_1":"7022.7045","140826bmssa09_1":"6465.6521","140826bmssa10_1":"7848.4257","140826bmssa16_1":"8139.7531","140826bmssa01_1":"8250.7577","140826bmssa04_1":"5384.7313","140826bmssa05_1":"6102.3447","140826bmssa15_1":"11593.0208","140826bmssa17_1":"5754.2900","140826bmssa18_1":"4863.1019","140826bmssa02_1":"6033.8170","140826bmssa08_1":"7766.4785","140826bmssa11_1":"5075.9773","140826bmssa12_1":"6155.7887","140826bmssa13_1":"5434.6146","140826bmssa14_1":"7718.6146"},{"Metabolite":"inosine","140826bmssa03_1":"625.9319","140826bmssa06_1":"1188.1045","140826bmssa07_1":"1347.7148","140826bmssa09_1":"1305.6713","140826bmssa10_1":"1143.5072","140826bmssa16_1":"1159.3251","140826bmssa01_1":"1665.4135","140826bmssa04_1":"950.3039","140826bmssa05_1":"1036.7297","140826bmssa15_1":"2619.3883","140826bmssa17_1":"1331.8813","140826bmssa18_1":"910.5571","140826bmssa02_1":"899.9756","140826bmssa08_1":"1190.8898","140826bmssa11_1":"1474.7596","140826bmssa12_1":"979.8813","140826bmssa13_1":"863.7729","140826bmssa14_1":"1472.8356"},{"Metabolite":"inosine-5^-monophosphate","140826bmssa03_1":"1139.4822","140826bmssa06_1":"2328.8951","140826bmssa07_1":"4219.5013","140826bmssa09_1":"3816.8889","140826bmssa10_1":"2881.9757","140826bmssa16_1":"3750.5615","140826bmssa01_1":"4074.3337","140826bmssa04_1":"4981.0710","140826bmssa05_1":"4801.0226","140826bmssa15_1":"4453.5541","140826bmssa17_1":"4924.2090","140826bmssa18_1":"3940.1322","140826bmssa02_1":"1529.0848","140826bmssa08_1":"1580.7778","140826bmssa11_1":"1069.7200","140826bmssa12_1":"1374.7443","140826bmssa13_1":"1281.6607","140826bmssa14_1":"1713.9773"},{"Metabolite":"isoleucine","140826bmssa03_1":"5229.4945","140826bmssa06_1":"11566.6704","140826bmssa07_1":"13965.9396","140826bmssa09_1":"11664.0647","140826bmssa10_1":"10935.0511","140826bmssa16_1":"13887.4245","140826bmssa01_1":"12732.4216","140826bmssa04_1":"12782.9007","140826bmssa05_1":"13307.3212","140826bmssa15_1":"15216.2110","140826bmssa17_1":"11111.8294","140826bmssa18_1":"10341.5170","140826bmssa02_1":"6526.0366","140826bmssa08_1":"9141.6993","140826bmssa11_1":"4595.6419","140826bmssa12_1":"6413.8564","140826bmssa13_1":"7968.9016","140826bmssa14_1":"8004.4507"},{"Metabolite":"lactic acid","140826bmssa03_1":"4490.4997","140826bmssa06_1":"11602.4186","140826bmssa07_1":"19554.9281","140826bmssa09_1":"15234.1808","140826bmssa10_1":"18386.8360","140826bmssa16_1":"11898.1027","140826bmssa01_1":"14325.6500","140826bmssa04_1":"4364.3947","140826bmssa05_1":"11113.8608","140826bmssa15_1":"13420.0590","140826bmssa17_1":"4803.2142","140826bmssa18_1":"10143.8011","140826bmssa02_1":"9620.1275","140826bmssa08_1":"6364.4459","140826bmssa11_1":"2865.5688","140826bmssa12_1":"7839.0500","140826bmssa13_1":"7320.8126","140826bmssa14_1":"5120.1044"},{"Metabolite":"lauric acid","140826bmssa03_1":"421.6016","140826bmssa06_1":"890.5527","140826bmssa07_1":"999.3556","140826bmssa09_1":"763.5801","140826bmssa10_1":"1171.9894","140826bmssa16_1":"1360.7050","140826bmssa01_1":"1148.7744","140826bmssa04_1":"748.9601","140826bmssa05_1":"830.1707","140826bmssa15_1":"1868.6158","140826bmssa17_1":"1234.3351","140826bmssa18_1":"1623.3983","140826bmssa02_1":"1130.0664","140826bmssa08_1":"1257.9193","140826bmssa11_1":"1138.0921","140826bmssa12_1":"1790.9513","140826bmssa13_1":"1396.7613","140826bmssa14_1":"1555.9879"},{"Metabolite":"levoglucosan","140826bmssa03_1":"183.2162","140826bmssa06_1":"264.9578","140826bmssa07_1":"395.1700","140826bmssa09_1":"296.3297","140826bmssa10_1":"639.2669","140826bmssa16_1":"411.6606","140826bmssa01_1":"444.4540","140826bmssa04_1":"359.8899","140826bmssa05_1":"372.7899","140826bmssa15_1":"402.7087","140826bmssa17_1":"233.5482","140826bmssa18_1":"360.8537","140826bmssa02_1":"322.3214","140826bmssa08_1":"264.7663","140826bmssa11_1":"311.5689","140826bmssa12_1":"456.9545","140826bmssa13_1":"547.5055","140826bmssa14_1":"374.1855"},{"Metabolite":"lysine","140826bmssa03_1":"534.6644","140826bmssa06_1":"2628.5498","140826bmssa07_1":"2864.1661","140826bmssa09_1":"2687.1950","140826bmssa10_1":"2486.3897","140826bmssa16_1":"1839.1214","140826bmssa01_1":"2752.3150","140826bmssa04_1":"2535.7649","140826bmssa05_1":"3208.5507","140826bmssa15_1":"3202.6626","140826bmssa17_1":"1792.4121","140826bmssa18_1":"2792.8479","140826bmssa02_1":"2931.9593","140826bmssa08_1":"3676.5651","140826bmssa11_1":"780.6533","140826bmssa12_1":"1318.4739","140826bmssa13_1":"2056.2566","140826bmssa14_1":"1586.1306"},{"Metabolite":"malic acid","140826bmssa03_1":"4658.7317","140826bmssa06_1":"14386.5786","140826bmssa07_1":"14779.1407","140826bmssa09_1":"15644.7947","140826bmssa10_1":"15453.1704","140826bmssa16_1":"15232.5532","140826bmssa01_1":"18422.6704","140826bmssa04_1":"19697.6505","140826bmssa05_1":"16647.6763","140826bmssa15_1":"18338.0942","140826bmssa17_1":"15045.5690","140826bmssa18_1":"14137.1303","140826bmssa02_1":"12814.2157","140826bmssa08_1":"11596.0942","140826bmssa11_1":"10962.0339","140826bmssa12_1":"8343.5433","140826bmssa13_1":"13334.0410","140826bmssa14_1":"14565.1692"},{"Metabolite":"mannose-6-phosphate NIST","140826bmssa03_1":"1270.9347","140826bmssa06_1":"2012.4177","140826bmssa07_1":"7872.9188","140826bmssa09_1":"4766.5600","140826bmssa10_1":"3915.7737","140826bmssa16_1":"13791.7413","140826bmssa01_1":"11342.3427","140826bmssa04_1":"16627.8868","140826bmssa05_1":"9644.3407","140826bmssa15_1":"12013.5484","140826bmssa17_1":"18388.4035","140826bmssa18_1":"18479.7872","140826bmssa02_1":"17748.0625","140826bmssa08_1":"18421.9261","140826bmssa11_1":"23655.0063","140826bmssa12_1":"17736.8208","140826bmssa13_1":"21135.9949","140826bmssa14_1":"27972.4422"},{"Metabolite":"methionine","140826bmssa03_1":"401.8497","140826bmssa06_1":"1085.0653","140826bmssa07_1":"1242.1184","140826bmssa09_1":"1482.6601","140826bmssa10_1":"1109.7505","140826bmssa16_1":"639.7428","140826bmssa01_1":"1119.9004","140826bmssa04_1":"1417.1881","140826bmssa05_1":"1889.5235","140826bmssa15_1":"1209.3140","140826bmssa17_1":"942.6343","140826bmssa18_1":"898.1444","140826bmssa02_1":"425.2312","140826bmssa08_1":"1208.7643","140826bmssa11_1":"205.1162","140826bmssa12_1":"373.5191","140826bmssa13_1":"490.4737","140826bmssa14_1":"610.1302"},{"Metabolite":"myristic acid","140826bmssa03_1":"2432.2121","140826bmssa06_1":"4524.2599","140826bmssa07_1":"4804.0916","140826bmssa09_1":"4286.1620","140826bmssa10_1":"4578.2483","140826bmssa16_1":"3940.8154","140826bmssa01_1":"4841.5582","140826bmssa04_1":"3473.4240","140826bmssa05_1":"4324.9532","140826bmssa15_1":"5868.3802","140826bmssa17_1":"4626.8806","140826bmssa18_1":"3966.7307","140826bmssa02_1":"5034.8149","140826bmssa08_1":"6037.1188","140826bmssa11_1":"3665.2624","140826bmssa12_1":"5683.3113","140826bmssa13_1":"5969.6768","140826bmssa14_1":"3806.2977"},{"Metabolite":"N-acetylgalactosamine","140826bmssa03_1":"83.0943","140826bmssa06_1":"127.2218","140826bmssa07_1":"277.5988","140826bmssa09_1":"197.2160","140826bmssa10_1":"177.2225","140826bmssa16_1":"263.6853","140826bmssa01_1":"112.4025","140826bmssa04_1":"165.3548","140826bmssa05_1":"111.1484","140826bmssa15_1":"193.6328","140826bmssa17_1":"124.7466","140826bmssa18_1":"231.4074","140826bmssa02_1":"256.3037","140826bmssa08_1":"187.6824","140826bmssa11_1":"284.7394","140826bmssa12_1":"230.9027","140826bmssa13_1":"148.2827","140826bmssa14_1":"459.4166"},{"Metabolite":"N-acetyl-L-ornithine","140826bmssa03_1":"176.4052","140826bmssa06_1":"544.6355","140826bmssa07_1":"971.0514","140826bmssa09_1":"1150.9326","140826bmssa10_1":"1069.6645","140826bmssa16_1":"354.9182","140826bmssa01_1":"1040.4967","140826bmssa04_1":"294.7207","140826bmssa05_1":"553.7750","140826bmssa15_1":"911.1432","140826bmssa17_1":"238.2379","140826bmssa18_1":"626.8392","140826bmssa02_1":"1827.1349","140826bmssa08_1":"1498.1081","140826bmssa11_1":"387.7302","140826bmssa12_1":"1739.5318","140826bmssa13_1":"2078.0324","140826bmssa14_1":"472.9289"},{"Metabolite":"nicotinamide","140826bmssa03_1":"369.1568","140826bmssa06_1":"1163.9218","140826bmssa07_1":"1298.7268","140826bmssa09_1":"1137.7849","140826bmssa10_1":"1195.1971","140826bmssa16_1":"482.8667","140826bmssa01_1":"895.0953","140826bmssa04_1":"796.6212","140826bmssa05_1":"983.6145","140826bmssa15_1":"1133.2864","140826bmssa17_1":"363.9225","140826bmssa18_1":"398.9783","140826bmssa02_1":"567.9458","140826bmssa08_1":"1232.2247","140826bmssa11_1":"190.4032","140826bmssa12_1":"439.4913","140826bmssa13_1":"413.7400","140826bmssa14_1":"405.3676"},{"Metabolite":"nicotinic acid","140826bmssa03_1":"363.0269","140826bmssa06_1":"1252.2411","140826bmssa07_1":"1214.9028","140826bmssa09_1":"1194.4213","140826bmssa10_1":"1277.4790","140826bmssa16_1":"1586.5620","140826bmssa01_1":"1563.3232","140826bmssa04_1":"1217.7897","140826bmssa05_1":"1004.2705","140826bmssa15_1":"1822.2865","140826bmssa17_1":"1108.6505","140826bmssa18_1":"913.2169","140826bmssa02_1":"1114.5329","140826bmssa08_1":"1026.6677","140826bmssa11_1":"920.8593","140826bmssa12_1":"1351.4600","140826bmssa13_1":"1415.4262","140826bmssa14_1":"1549.7515"},{"Metabolite":"N-methylalanine","140826bmssa03_1":"493.1172","140826bmssa06_1":"977.8205","140826bmssa07_1":"1882.2285","140826bmssa09_1":"1042.7166","140826bmssa10_1":"868.1793","140826bmssa16_1":"1159.3251","140826bmssa01_1":"1376.6731","140826bmssa04_1":"1067.9976","140826bmssa05_1":"1205.9114","140826bmssa15_1":"1174.8640","140826bmssa17_1":"878.8541","140826bmssa18_1":"833.4213","140826bmssa02_1":"689.3017","140826bmssa08_1":"949.5838","140826bmssa11_1":"675.9315","140826bmssa12_1":"633.5272","140826bmssa13_1":"665.7170","140826bmssa14_1":"784.7501"},{"Metabolite":"O-acetylserine","140826bmssa03_1":"256.0940","140826bmssa06_1":"198.7184","140826bmssa07_1":"763.1245","140826bmssa09_1":"1001.2507","140826bmssa10_1":"438.8367","140826bmssa16_1":"397.1968","140826bmssa01_1":"896.1265","140826bmssa04_1":"1796.5316","140826bmssa05_1":"1608.2098","140826bmssa15_1":"109.2897","140826bmssa17_1":"805.6944","140826bmssa18_1":"1088.7674","140826bmssa02_1":"112.6183","140826bmssa08_1":"230.1344","140826bmssa11_1":"118.5693","140826bmssa12_1":"61.1213","140826bmssa13_1":"118.2114","140826bmssa14_1":"148.6348"},{"Metabolite":"oleic acid","140826bmssa03_1":"132.1336","140826bmssa06_1":"376.4083","140826bmssa07_1":"263.4467","140826bmssa09_1":"450.0571","140826bmssa10_1":"139.2463","140826bmssa16_1":"400.5346","140826bmssa01_1":"79.4036","140826bmssa04_1":"373.5074","140826bmssa05_1":"338.3634","140826bmssa15_1":"299.3587","140826bmssa17_1":"48.7731","140826bmssa18_1":"333.3685","140826bmssa02_1":"461.1525","140826bmssa08_1":"550.7586","140826bmssa11_1":"431.8692","140826bmssa12_1":"582.1077","140826bmssa13_1":"182.5018","140826bmssa14_1":"607.0120"},{"Metabolite":"ornithine 4tms","140826bmssa03_1":"550.3297","140826bmssa06_1":"2091.2742","140826bmssa07_1":"2576.7697","140826bmssa09_1":"2563.8086","140826bmssa10_1":"2756.4431","140826bmssa16_1":"1786.8293","140826bmssa01_1":"2694.5669","140826bmssa04_1":"1779.0234","140826bmssa05_1":"2010.5081","140826bmssa15_1":"2769.0677","140826bmssa17_1":"1376.9026","140826bmssa18_1":"1836.1867","140826bmssa02_1":"2450.4190","140826bmssa08_1":"3668.7450","140826bmssa11_1":"949.4198","140826bmssa12_1":"1519.3010","140826bmssa13_1":"1865.4592","140826bmssa14_1":"1610.0369"},{"Metabolite":"orotic acid","140826bmssa03_1":"121.9171","140826bmssa06_1":"251.2894","140826bmssa07_1":"372.3089","140826bmssa09_1":"594.6822","140826bmssa10_1":"527.4480","140826bmssa16_1":"324.8781","140826bmssa01_1":"1111.6506","140826bmssa04_1":"202.3165","140826bmssa05_1":"365.9046","140826bmssa15_1":"553.5759","140826bmssa17_1":"173.5197","140826bmssa18_1":"580.7350","140826bmssa02_1":"1405.7871","140826bmssa08_1":"449.0973","140826bmssa11_1":"507.1650","140826bmssa12_1":"713.0819","140826bmssa13_1":"535.0622","140826bmssa14_1":"556.0812"},{"Metabolite":"oxoproline","140826bmssa03_1":"43194.0714","140826bmssa06_1":"117852.6057","140826bmssa07_1":"119421.9012","140826bmssa09_1":"112399.9965","140826bmssa10_1":"116872.9744","140826bmssa16_1":"125988.1575","140826bmssa01_1":"117385.3578","140826bmssa04_1":"93300.0016","140826bmssa05_1":"102615.5879","140826bmssa15_1":"207541.0874","140826bmssa17_1":"119689.2320","140826bmssa18_1":"117504.4227","140826bmssa02_1":"122303.4799","140826bmssa08_1":"145620.3547","140826bmssa11_1":"101324.8157","140826bmssa12_1":"154497.1978","140826bmssa13_1":"174488.3548","140826bmssa14_1":"134342.9755"},{"Metabolite":"palmitic acid","140826bmssa03_1":"5845.2099","140826bmssa06_1":"12920.8992","140826bmssa07_1":"12292.7266","140826bmssa09_1":"11221.0871","140826bmssa10_1":"12597.5671","140826bmssa16_1":"7958.3999","140826bmssa01_1":"9432.5310","140826bmssa04_1":"7158.8913","140826bmssa05_1":"11499.4377","140826bmssa15_1":"13447.3814","140826bmssa17_1":"9957.2197","140826bmssa18_1":"9618.0364","140826bmssa02_1":"15631.6150","140826bmssa08_1":"17433.2418","140826bmssa11_1":"5804.7024","140826bmssa12_1":"13509.7489","140826bmssa13_1":"18203.5221","140826bmssa14_1":"7144.8635"},{"Metabolite":"palmitoleic acid","140826bmssa03_1":"457.7000","140826bmssa06_1":"1040.9057","140826bmssa07_1":"1061.4071","140826bmssa09_1":"1235.8872","140826bmssa10_1":"1217.3499","140826bmssa16_1":"1188.2526","140826bmssa01_1":"1050.8089","140826bmssa04_1":"1191.5274","140826bmssa05_1":"901.9745","140826bmssa15_1":"1433.8330","140826bmssa17_1":"1103.9608","140826bmssa18_1":"1070.1484","140826bmssa02_1":"1098.0285","140826bmssa08_1":"1177.4839","140826bmssa11_1":"926.9176","140826bmssa12_1":"1086.6010","140826bmssa13_1":"1124.0455","140826bmssa14_1":"1349.1465"},{"Metabolite":"pelargonic acid","140826bmssa03_1":"2526.2041","140826bmssa06_1":"3628.4501","140826bmssa07_1":"6116.9705","140826bmssa09_1":"2970.3770","140826bmssa10_1":"4907.3758","140826bmssa16_1":"4008.6838","140826bmssa01_1":"3145.2082","140826bmssa04_1":"3201.0749","140826bmssa05_1":"2418.7082","140826bmssa15_1":"6950.5856","140826bmssa17_1":"2760.3709","140826bmssa18_1":"2963.9653","140826bmssa02_1":"4139.6936","140826bmssa08_1":"4445.1694","140826bmssa11_1":"4620.7405","140826bmssa12_1":"7398.5885","140826bmssa13_1":"3548.4166","140826bmssa14_1":"6094.0260"},{"Metabolite":"pentadecanoic acid","140826bmssa03_1":"375.2867","140826bmssa06_1":"804.3362","140826bmssa07_1":"879.6071","140826bmssa09_1":"540.0685","140826bmssa10_1":"588.6319","140826bmssa16_1":"587.4507","140826bmssa01_1":"574.3872","140826bmssa04_1":"771.3316","140826bmssa05_1":"793.7769","140826bmssa15_1":"761.4639","140826bmssa17_1":"860.0952","140826bmssa18_1":"908.7839","140826bmssa02_1":"1192.2007","140826bmssa08_1":"1092.5800","140826bmssa11_1":"630.9271","140826bmssa12_1":"781.9646","140826bmssa13_1":"992.3538","140826bmssa14_1":"1102.8077"},{"Metabolite":"phenylalanine","140826bmssa03_1":"682.4633","140826bmssa06_1":"1791.6195","140826bmssa07_1":"1674.3016","140826bmssa09_1":"1443.2169","140826bmssa10_1":"1530.6540","140826bmssa16_1":"2323.1007","140826bmssa01_1":"1891.2498","140826bmssa04_1":"1516.4010","140826bmssa05_1":"1573.7833","140826bmssa15_1":"2580.1866","140826bmssa17_1":"1761.4599","140826bmssa18_1":"1427.4556","140826bmssa02_1":"1606.7525","140826bmssa08_1":"1758.4058","140826bmssa11_1":"1645.2571","140826bmssa12_1":"1534.8239","140826bmssa13_1":"1785.6146","140826bmssa14_1":"1862.6121"},{"Metabolite":"phosphate","140826bmssa03_1":"92683.5606","140826bmssa06_1":"191793.7106","140826bmssa07_1":"217957.4888","140826bmssa09_1":"198459.0093","140826bmssa10_1":"212811.5391","140826bmssa16_1":"217824.0650","140826bmssa01_1":"205367.6592","140826bmssa04_1":"200532.6063","140826bmssa05_1":"189800.2307","140826bmssa15_1":"228685.0752","140826bmssa17_1":"175998.7349","140826bmssa18_1":"16083.2577","140826bmssa02_1":"191505.4870","140826bmssa08_1":"224735.2101","140826bmssa11_1":"167483.0182","140826bmssa12_1":"195341.7529","140826bmssa13_1":"208180.6840","140826bmssa14_1":"225203.5214"},{"Metabolite":"phosphoenolpyruvate","140826bmssa03_1":"1148.3365","140826bmssa06_1":"4062.6865","140826bmssa07_1":"2401.5015","140826bmssa09_1":"2457.6153","140826bmssa10_1":"2990.6299","140826bmssa16_1":"3170.8989","140826bmssa01_1":"3562.8506","140826bmssa04_1":"3407.2821","140826bmssa05_1":"4135.1156","140826bmssa15_1":"5228.0853","140826bmssa17_1":"3904.6633","140826bmssa18_1":"2915.2013","140826bmssa02_1":"1301.9064","140826bmssa08_1":"1853.3642","140826bmssa11_1":"941.6306","140826bmssa12_1":"1322.3546","140826bmssa13_1":"1551.2657","140826bmssa14_1":"1502.9783"},{"Metabolite":"phosphoethanolamine","140826bmssa03_1":"384.1410","140826bmssa06_1":"2608.5728","140826bmssa07_1":"2924.0404","140826bmssa09_1":"3414.3659","140826bmssa10_1":"3985.3968","140826bmssa16_1":"5740.9959","140826bmssa01_1":"1012.6539","140826bmssa04_1":"1935.6241","140826bmssa05_1":"1679.0300","140826bmssa15_1":"5004.7542","140826bmssa17_1":"4266.7099","140826bmssa18_1":"2525.0892","140826bmssa02_1":"2098.9722","140826bmssa08_1":"2750.4416","140826bmssa11_1":"1843.4496","140826bmssa12_1":"3658.5467","140826bmssa13_1":"5729.1062","140826bmssa14_1":"4692.9094"},{"Metabolite":"proline","140826bmssa03_1":"9471.3923","140826bmssa06_1":"20235.6275","140826bmssa07_1":"21439.3338","140826bmssa09_1":"16410.3975","140826bmssa10_1":"20427.0047","140826bmssa16_1":"20684.2741","140826bmssa01_1":"15278.4934","140826bmssa04_1":"14586.2410","140826bmssa05_1":"20291.9682","140826bmssa15_1":"24101.9365","140826bmssa17_1":"10587.5184","140826bmssa18_1":"11783.1585","140826bmssa02_1":"19794.6089","140826bmssa08_1":"40752.7861","140826bmssa11_1":"15118.8828","140826bmssa12_1":"16843.2856","140826bmssa13_1":"22092.0557","140826bmssa14_1":"19868.2087"},{"Metabolite":"propane-1_3-diol NIST","140826bmssa03_1":"811.8725","140826bmssa06_1":"1320.5834","140826bmssa07_1":"1278.0430","140826bmssa09_1":"1111.4894","140826bmssa10_1":"1369.2549","140826bmssa16_1":"1032.4892","140826bmssa01_1":"1142.5871","140826bmssa04_1":"906.5335","140826bmssa05_1":"1128.2059","140826bmssa15_1":"1301.9726","140826bmssa17_1":"1163.0513","140826bmssa18_1":"1034.6837","140826bmssa02_1":"1205.7925","140826bmssa08_1":"1272.4423","140826bmssa11_1":"993.5587","140826bmssa12_1":"1219.5156","140826bmssa13_1":"1147.8951","140826bmssa14_1":"1156.8567"},{"Metabolite":"putrescine","140826bmssa03_1":"92437.0020","140826bmssa06_1":"219288.3411","140826bmssa07_1":"230266.5447","140826bmssa09_1":"181439.7705","140826bmssa10_1":"238873.7978","140826bmssa16_1":"396496.9857","140826bmssa01_1":"179140.7476","140826bmssa04_1":"260697.4461","140826bmssa05_1":"160848.5200","140826bmssa15_1":"259350.3317","140826bmssa17_1":"199310.4095","140826bmssa18_1":"218568.2805","140826bmssa02_1":"261989.0128","140826bmssa08_1":"329608.3644","140826bmssa11_1":"172656.7935","140826bmssa12_1":"271552.2598","140826bmssa13_1":"275956.2697","140826bmssa14_1":"345034.3373"},{"Metabolite":"pyrophosphate","140826bmssa03_1":"28005.5162","140826bmssa06_1":"82566.9537","140826bmssa07_1":"86233.0634","140826bmssa09_1":"83979.6477","140826bmssa10_1":"81315.5974","140826bmssa16_1":"96598.9314","140826bmssa01_1":"65641.0110","140826bmssa04_1":"68978.2520","140826bmssa05_1":"73585.1881","140826bmssa15_1":"123454.5640","140826bmssa17_1":"84225.5474","140826bmssa18_1":"76435.3720","140826bmssa02_1":"66820.5183","140826bmssa08_1":"91305.2773","140826bmssa11_1":"74831.0701","140826bmssa12_1":"87920.5729","140826bmssa13_1":"107510.1777","140826bmssa14_1":"102368.8276"},{"Metabolite":"ribose","140826bmssa03_1":"956.2660","140826bmssa06_1":"2578.0816","140826bmssa07_1":"3900.5348","140826bmssa09_1":"2842.9451","140826bmssa10_1":"2408.3274","140826bmssa16_1":"3251.0058","140826bmssa01_1":"3755.6880","140826bmssa04_1":"3296.3971","140826bmssa05_1":"2642.9723","140826bmssa15_1":"4548.5886","140826bmssa17_1":"3505.0989","140826bmssa18_1":"2980.8110","140826bmssa02_1":"352.4176","140826bmssa08_1":"2543.7675","140826bmssa11_1":"2465.7220","140826bmssa12_1":"2607.8424","140826bmssa13_1":"1875.8286","140826bmssa14_1":"2862.5188"},{"Metabolite":"ribose-5-phosphate","140826bmssa03_1":"78.3266","140826bmssa06_1":"212.3868","140826bmssa07_1":"92.5329","140826bmssa09_1":"245.7615","140826bmssa10_1":"332.2922","140826bmssa16_1":"371.6071","140826bmssa01_1":"325.8642","140826bmssa04_1":"413.3871","140826bmssa05_1":"354.1012","140826bmssa15_1":"286.2914","140826bmssa17_1":"362.0466","140826bmssa18_1":"418.4839","140826bmssa02_1":"199.0237","140826bmssa08_1":"119.5358","140826bmssa11_1":"265.6991","140826bmssa12_1":"239.6343","140826bmssa13_1":"266.4942","140826bmssa14_1":"357.5550"},{"Metabolite":"serine","140826bmssa03_1":"1358.1157","140826bmssa06_1":"3268.8645","140826bmssa07_1":"3597.8978","140826bmssa09_1":"3983.7641","140826bmssa10_1":"3666.8182","140826bmssa16_1":"3453.4983","140826bmssa01_1":"3949.5565","140826bmssa04_1":"3793.4342","140826bmssa05_1":"4516.7580","140826bmssa15_1":"4543.8369","140826bmssa17_1":"4039.7273","140826bmssa18_1":"3820.4387","140826bmssa02_1":"3455.2461","140826bmssa08_1":"1817.6151","140826bmssa11_1":"1074.9128","140826bmssa12_1":"1882.1481","140826bmssa13_1":"2108.1037","140826bmssa14_1":"1592.3670"},{"Metabolite":"spermidine","140826bmssa03_1":"299.0034","140826bmssa06_1":"717.0684","140826bmssa07_1":"690.1867","140826bmssa09_1":"551.1936","140826bmssa10_1":"753.1957","140826bmssa16_1":"1111.4835","140826bmssa01_1":"607.3861","140826bmssa04_1":"933.7684","140826bmssa05_1":"623.6116","140826bmssa15_1":"3379.6643","140826bmssa17_1":"783.1837","140826bmssa18_1":"848.4938","140826bmssa02_1":"838.8122","140826bmssa08_1":"1359.5806","140826bmssa11_1":"513.2233","140826bmssa12_1":"3573.1709","140826bmssa13_1":"741.4137","140826bmssa14_1":"1324.2008"},{"Metabolite":"stearic acid","140826bmssa03_1":"34330.9024","140826bmssa06_1":"79941.5582","140826bmssa07_1":"76729.3880","140826bmssa09_1":"70425.3431","140826bmssa10_1":"83090.9873","140826bmssa16_1":"38511.4015","140826bmssa01_1":"53584.0358","140826bmssa04_1":"31721.8644","140826bmssa05_1":"74063.2247","140826bmssa15_1":"79678.1107","140826bmssa17_1":"59965.6108","140826bmssa18_1":"56999.8101","140826bmssa02_1":"104506.8751","140826bmssa08_1":"132533.9725","140826bmssa11_1":"25854.1637","140826bmssa12_1":"98887.4815","140826bmssa13_1":"146593.5700","140826bmssa14_1":"31293.3382"},{"Metabolite":"succinic acid","140826bmssa03_1":"5068.0735","140826bmssa06_1":"16077.2618","140826bmssa07_1":"14334.9826","140826bmssa09_1":"14507.0098","140826bmssa10_1":"14998.5102","140826bmssa16_1":"15481.7748","140826bmssa01_1":"16459.2355","140826bmssa04_1":"13095.1295","140826bmssa05_1":"13864.0471","140826bmssa15_1":"17946.0769","140826bmssa17_1":"14109.5003","140826bmssa18_1":"11611.1545","140826bmssa02_1":"12106.4679","140826bmssa08_1":"14537.5697","140826bmssa11_1":"9524.4894","140826bmssa12_1":"11315.2030","140826bmssa13_1":"12232.8083","140826bmssa14_1":"13338.6724"},{"Metabolite":"threonine","140826bmssa03_1":"3529.4661","140826bmssa06_1":"9493.2703","140826bmssa07_1":"10087.1772","140826bmssa09_1":"9375.3473","140826bmssa10_1":"8269.3292","140826bmssa16_1":"10638.6439","140826bmssa01_1":"11062.8832","140826bmssa04_1":"8888.3082","140826bmssa05_1":"8453.1834","140826bmssa15_1":"14459.4988","140826bmssa17_1":"8980.8194","140826bmssa18_1":"8679.9941","140826bmssa02_1":"7492.0299","140826bmssa08_1":"9137.2307","140826bmssa11_1":"5455.9183","140826bmssa12_1":"7068.7275","140826bmssa13_1":"8898.0019","140826bmssa14_1":"8156.2037"},{"Metabolite":"thymidine","140826bmssa03_1":"200.9248","140826bmssa06_1":"520.4529","140826bmssa07_1":"458.3101","140826bmssa09_1":"398.4775","140826bmssa10_1":"240.5163","140826bmssa16_1":"521.8076","140826bmssa01_1":"505.2957","140826bmssa04_1":"347.2451","140826bmssa05_1":"364.9210","140826bmssa15_1":"574.9587","140826bmssa17_1":"453.9652","140826bmssa18_1":"472.5676","140826bmssa02_1":"222.3241","140826bmssa08_1":"403.2938","140826bmssa11_1":"373.0173","140826bmssa12_1":"479.2687","140826bmssa13_1":"398.1858","140826bmssa14_1":"520.7414"},{"Metabolite":"thymidine-5-phosphate","140826bmssa03_1":"243.8342","140826bmssa06_1":"574.0753","140826bmssa07_1":"621.6035","140826bmssa09_1":"526.9208","140826bmssa10_1":"603.4005","140826bmssa16_1":"1267.2470","140826bmssa01_1":"1011.6227","140826bmssa04_1":"583.6053","140826bmssa05_1":"520.3321","140826bmssa15_1":"1515.8002","140826bmssa17_1":"768.1766","140826bmssa18_1":"540.8372","140826bmssa02_1":"684.4475","140826bmssa08_1":"566.3988","140826bmssa11_1":"1086.1639","140826bmssa12_1":"1522.2116","140826bmssa13_1":"1470.3842","140826bmssa14_1":"1171.4084"},{"Metabolite":"thymine","140826bmssa03_1":"1251.8639","140826bmssa06_1":"2788.3656","140826bmssa07_1":"3001.3326","140826bmssa09_1":"2395.9221","140826bmssa10_1":"2531.7502","140826bmssa16_1":"5250.3410","140826bmssa01_1":"5037.4892","140826bmssa04_1":"2620.3877","140826bmssa05_1":"2539.6928","140826bmssa15_1":"6690.4286","140826bmssa17_1":"3729.2677","140826bmssa18_1":"2690.8868","140826bmssa02_1":"3329.0359","140826bmssa08_1":"2623.0857","140826bmssa11_1":"4893.3633","140826bmssa12_1":"5687.1920","140826bmssa13_1":"5544.5305","140826bmssa14_1":"4691.8700"},{"Metabolite":"tryptophan","140826bmssa03_1":"1026.4194","140826bmssa06_1":"3519.1024","140826bmssa07_1":"3860.2558","140826bmssa09_1":"3320.3091","140826bmssa10_1":"3509.6387","140826bmssa16_1":"3130.8454","140826bmssa01_1":"3541.1951","140826bmssa04_1":"3313.9052","140826bmssa05_1":"3810.5228","140826bmssa15_1":"5489.4302","140826bmssa17_1":"3236.8467","140826bmssa18_1":"3106.7109","140826bmssa02_1":"1045.6027","140826bmssa08_1":"2561.6420","140826bmssa11_1":"809.2138","140826bmssa12_1":"1091.4519","140826bmssa13_1":"1564.7459","140826bmssa14_1":"1598.6035"},{"Metabolite":"tyrosine","140826bmssa03_1":"2238.7794","140826bmssa06_1":"8203.1781","140826bmssa07_1":"7593.1428","140826bmssa09_1":"7078.5389","140826bmssa10_1":"7156.4140","140826bmssa16_1":"6611.0460","140826bmssa01_1":"6367.7576","140826bmssa04_1":"6416.7399","140826bmssa05_1":"6527.2662","140826bmssa15_1":"8424.8082","140826bmssa17_1":"4972.0442","140826bmssa18_1":"5536.0453","140826bmssa02_1":"6434.7770","140826bmssa08_1":"10806.2639","140826bmssa11_1":"4486.5927","140826bmssa12_1":"4638.4280","140826bmssa13_1":"5368.2503","140826bmssa14_1":"6607.4916"},{"Metabolite":"UDP-glucuronic acid","140826bmssa03_1":"313.3065","140826bmssa06_1":"1074.5511","140826bmssa07_1":"918.7975","140826bmssa09_1":"968.8870","140826bmssa10_1":"972.6140","140826bmssa16_1":"1240.5447","140826bmssa01_1":"719.7886","140826bmssa04_1":"806.3479","140826bmssa05_1":"760.3340","140826bmssa15_1":"1249.7036","140826bmssa17_1":"903.2406","140826bmssa18_1":"681.8095","140826bmssa02_1":"851.4332","140826bmssa08_1":"1099.2829","140826bmssa11_1":"824.7922","140826bmssa12_1":"890.6247","140826bmssa13_1":"1059.7550","140826bmssa14_1":"1089.2955"},{"Metabolite":"UDP-N-acetylglucosamine","140826bmssa03_1":"155.9722","140826bmssa06_1":"260.7521","140826bmssa07_1":"272.1557","140826bmssa09_1":"260.9320","140826bmssa10_1":"198.3204","140826bmssa16_1":"318.2025","140826bmssa01_1":"176.3379","140826bmssa04_1":"152.7100","140826bmssa05_1":"141.6405","140826bmssa15_1":"363.5070","140826bmssa17_1":"232.6103","140826bmssa18_1":"187.0765","140826bmssa02_1":"302.9044","140826bmssa08_1":"334.0301","140826bmssa11_1":"163.5737","140826bmssa12_1":"352.1751","140826bmssa13_1":"377.4470","140826bmssa14_1":"354.4368"},{"Metabolite":"uracil","140826bmssa03_1":"6565.8149","140826bmssa06_1":"14737.7528","140826bmssa07_1":"14873.8508","140826bmssa09_1":"12019.0536","140826bmssa10_1":"11775.8032","140826bmssa16_1":"15961.3037","140826bmssa01_1":"16580.9190","140826bmssa04_1":"11900.6841","140826bmssa05_1":"14753.2346","140826bmssa15_1":"23114.7657","140826bmssa17_1":"14352.4280","140826bmssa18_1":"10916.9323","140826bmssa02_1":"13015.1811","140826bmssa08_1":"15977.5857","140826bmssa11_1":"10671.2362","140826bmssa12_1":"11487.8949","140826bmssa13_1":"11961.1294","140826bmssa14_1":"16449.6087"},{"Metabolite":"urea","140826bmssa03_1":"1330.8716","140826bmssa06_1":"3243.6304","140826bmssa07_1":"3271.3110","140826bmssa09_1":"2781.2519","140826bmssa10_1":"712.0547","140826bmssa16_1":"146.8627","140826bmssa01_1":"2414.0762","140826bmssa04_1":"3356.7030","140826bmssa05_1":"2494.4465","140826bmssa15_1":"2953.1970","140826bmssa17_1":"2690.0251","140826bmssa18_1":"2520.6561","140826bmssa02_1":"83.4929","140826bmssa08_1":"2350.4992","140826bmssa11_1":"45.0044","140826bmssa12_1":"1543.5555","140826bmssa13_1":"89.1770","140826bmssa14_1":"81.0735"},{"Metabolite":"uridine-5^-monophosphate","140826bmssa03_1":"3387.7970","140826bmssa06_1":"14777.7068","140826bmssa07_1":"15495.4543","140826bmssa09_1":"14155.0550","140826bmssa10_1":"13384.5195","140826bmssa16_1":"11828.0092","140826bmssa01_1":"11384.6225","140826bmssa04_1":"11754.7828","140826bmssa05_1":"13589.6186","140826bmssa15_1":"17006.4233","140826bmssa17_1":"10041.6347","140826bmssa18_1":"8042.5155","140826bmssa02_1":"10314.2834","140826bmssa08_1":"17019.8936","140826bmssa11_1":"9901.8340","140826bmssa12_1":"8307.6467","140826bmssa13_1":"8038.3767","140826bmssa14_1":"12151.6729"},{"Metabolite":"valine","140826bmssa03_1":"228872.4558","140826bmssa06_1":"487104.9679","140826bmssa07_1":"529304.6460","140826bmssa09_1":"417944.2828","140826bmssa10_1":"488176.2967","140826bmssa16_1":"535367.8934","140826bmssa01_1":"397401.6980","140826bmssa04_1":"277491.6603","140826bmssa05_1":"319926.5339","140826bmssa15_1":"540502.7651","140826bmssa17_1":"260807.6838","140826bmssa18_1":"226293.3866","140826bmssa02_1":"390893.2846","140826bmssa08_1":"554406.1353","140826bmssa11_1":"362481.9011","140826bmssa12_1":"413715.5662","140826bmssa13_1":"463401.2186","140826bmssa14_1":"462815.4485"},{"Metabolite":"xylulose NIST","140826bmssa03_1":"73.5589","140826bmssa06_1":"343.8143","140826bmssa07_1":"420.2083","140826bmssa09_1":"379.2616","140826bmssa10_1":"98.1053","140826bmssa16_1":"488.4297","140826bmssa01_1":"370.2065","140826bmssa04_1":"305.4201","140826bmssa05_1":"309.8386","140826bmssa15_1":"491.8035","140826bmssa17_1":"329.2185","140826bmssa18_1":"282.8313","140826bmssa02_1":"237.8576","140826bmssa08_1":"479.2605","140826bmssa11_1":"298.5869","140826bmssa12_1":"322.0996","140826bmssa13_1":"328.7107","140826bmssa14_1":"406.4070"},{"Metabolite":"uridine-5-monophosphate","140826bmssa03_1":"3388","140826bmssa06_1":"14778","140826bmssa07_1":"15495","140826bmssa09_1":"14155","140826bmssa10_1":"13385","140826bmssa16_1":"11828","140826bmssa01_1":"11385","140826bmssa04_1":"11755","140826bmssa05_1":"13590","140826bmssa15_1":"17006","140826bmssa17_1":"10042","140826bmssa18_1":"8043","140826bmssa02_1":"10314","140826bmssa08_1":"17020","140826bmssa11_1":"9902","140826bmssa12_1":"8308","140826bmssa13_1":"8038","140826bmssa14_1":"12152"},{"Metabolite":"propane-1,3-diol NIST","140826bmssa03_1":"812","140826bmssa06_1":"1321","140826bmssa07_1":"1278","140826bmssa09_1":"1111","140826bmssa10_1":"1369","140826bmssa16_1":"1032","140826bmssa01_1":"1143","140826bmssa04_1":"907","140826bmssa05_1":"1128","140826bmssa15_1":"1302","140826bmssa17_1":"1163","140826bmssa18_1":"1035","140826bmssa02_1":"1206","140826bmssa08_1":"1272","140826bmssa11_1":"994","140826bmssa12_1":"1220","140826bmssa13_1":"1148","140826bmssa14_1":"1157"},{"Metabolite":"ornithine","140826bmssa03_1":"550","140826bmssa06_1":"2091","140826bmssa07_1":"2577","140826bmssa09_1":"2564","140826bmssa10_1":"2756","140826bmssa16_1":"1787","140826bmssa01_1":"2695","140826bmssa04_1":"1779","140826bmssa05_1":"2011","140826bmssa15_1":"2769","140826bmssa17_1":"1377","140826bmssa18_1":"1836","140826bmssa02_1":"2450","140826bmssa08_1":"3669","140826bmssa11_1":"949","140826bmssa12_1":"1519","140826bmssa13_1":"1865","140826bmssa14_1":"1610"},{"Metabolite":"inosine-5-monophosphate","140826bmssa03_1":"1139","140826bmssa06_1":"2329","140826bmssa07_1":"4220","140826bmssa09_1":"3817","140826bmssa10_1":"2882","140826bmssa16_1":"3751","140826bmssa01_1":"4074","140826bmssa04_1":"4981","140826bmssa05_1":"4801","140826bmssa15_1":"4454","140826bmssa17_1":"4924","140826bmssa18_1":"3940","140826bmssa02_1":"1529","140826bmssa08_1":"1581","140826bmssa11_1":"1070","140826bmssa12_1":"1375","140826bmssa13_1":"1282","140826bmssa14_1":"1714"},{"Metabolite":"fructose-1,6-bisphosphate","140826bmssa03_1":"513","140826bmssa06_1":"1272","140826bmssa07_1":"2137","140826bmssa09_1":"1766","140826bmssa10_1":"1564","140826bmssa16_1":"1508","140826bmssa01_1":"1978","140826bmssa04_1":"2924","140826bmssa05_1":"2427","140826bmssa15_1":"1226","140826bmssa17_1":"1891","140826bmssa18_1":"1537","140826bmssa02_1":"3786","140826bmssa08_1":"4166","140826bmssa11_1":"1261","140826bmssa12_1":"2193","140826bmssa13_1":"1750","140826bmssa14_1":"1915"},{"Metabolite":"2-deoxyguanosine","140826bmssa03_1":"129","140826bmssa06_1":"248","140826bmssa07_1":"225","140826bmssa09_1":"150","140826bmssa10_1":"275","140826bmssa16_1":"171","140826bmssa01_1":"148","140826bmssa04_1":"156","140826bmssa05_1":"151","140826bmssa15_1":"280","140826bmssa17_1":"223","140826bmssa18_1":"199","140826bmssa02_1":"199","140826bmssa08_1":"225","140826bmssa11_1":"159","140826bmssa12_1":"162","140826bmssa13_1":"121","140826bmssa14_1":"141"},{"Metabolite":"2,5-dihydroxypyrazine NIST","140826bmssa03_1":"3130","140826bmssa06_1":"10025","140826bmssa07_1":"11194","140826bmssa09_1":"10790","140826bmssa10_1":"11018","140826bmssa16_1":"11687","140826bmssa01_1":"4337","140826bmssa04_1":"5266","140826bmssa05_1":"6300","140826bmssa15_1":"7989","140826bmssa17_1":"7775","140826bmssa18_1":"4789","140826bmssa02_1":"7990","140826bmssa08_1":"11338","140826bmssa11_1":"6074","140826bmssa12_1":"7972","140826bmssa13_1":"12043","140826bmssa14_1":"10956"}],

"Metabolites":[{"Metabolite":"2,5-dihydroxypyrazine NIST","moverz_quant":"241","ri":"397526","ri_type":"Fiehn","pubchem_id":"23368901","inchi_key":"USHRADXTTYICIJ-UHFFFAOYSA-N","kegg_id":"","other_id":"2254","other_id_type":"BinBase"},{"Metabolite":"2'-deoxyguanosine","moverz_quant":"295","ri":"962182","ri_type":"Fiehn","pubchem_id":"187790","inchi_key":"","kegg_id":"C00330","other_id":"66347","other_id_type":"BinBase"},{"Metabolite":"2-hydroxyglutaric acid","moverz_quant":"247","ri":"506306","ri_type":"Fiehn","pubchem_id":"43","inchi_key":"HWXBTNAVRSUOJR-UHFFFAOYSA-N","kegg_id":"C02630","other_id":"2000","other_id_type":"BinBase"},{"Metabolite":"2-hydroxyhexanoic acid","moverz_quant":"159","ri":"323093","ri_type":"Fiehn","pubchem_id":"","inchi_key":"","kegg_id":"","other_id":"106285","other_id_type":"BinBase"},{"Metabolite":"2-isopropylmalic acid","moverz_quant":"275","ri":"508690","ri_type":"Fiehn","pubchem_id":"5280523","inchi_key":"","kegg_id":"C02504","other_id":"17246","other_id_type":"BinBase"},{"Metabolite":"3-phosphoglycerate","moverz_quant":"227","ri":"610734","ri_type":"Fiehn","pubchem_id":"724","inchi_key":"OSJPPGNTCRNQQC-UHFFFAOYSA-N","kegg_id":"C00597","other_id":"1667","other_id_type":"BinBase"},{"Metabolite":"adenine","moverz_quant":"264","ri":"646534","ri_type":"Fiehn","pubchem_id":"190","inchi_key":"GFFGJBXGBJISGV-UHFFFAOYSA-N","kegg_id":"C00147","other_id":"1764","other_id_type":"BinBase"},{"Metabolite":"adenosine","moverz_quant":"236","ri":"918039","ri_type":"Fiehn","pubchem_id":"60961","inchi_key":"OIRDTQYFTABQOQ-KQYNXXCUSA-N","kegg_id":"C00212","other_id":"290","other_id_type":"BinBase"},{"Metabolite":"adenosine-5-monophosphate","moverz_quant":"169","ri":"1038688","ri_type":"Fiehn","pubchem_id":"6083","inchi_key":"UDMBCSSLTHHNCD-KQYNXXCUSA-N","kegg_id":"C00020","other_id":"1726","other_id_type":"BinBase"},{"Metabolite":"alanine","moverz_quant":"116","ri":"244189","ri_type":"Fiehn","pubchem_id":"5950","inchi_key":"","kegg_id":"C00041","other_id":"2","other_id_type":"BinBase"},{"Metabolite":"alanine-alanine","moverz_quant":"116","ri":"522546","ri_type":"Fiehn","pubchem_id":"5484352","inchi_key":"","kegg_id":"C00993","other_id":"84119","other_id_type":"BinBase"},{"Metabolite":"alpha-ketoglutarate","moverz_quant":"198","ri":"507392","ri_type":"Fiehn","pubchem_id":"51","inchi_key":"KPGXRSRHYNQIFN-UHFFFAOYSA-N","kegg_id":"C00026","other_id":"294","other_id_type":"BinBase"},{"Metabolite":"aspartic acid","moverz_quant":"232","ri":"480387","ri_type":"Fiehn","pubchem_id":"5960","inchi_key":"CKLJMWTZIZZHCS-REOHCLBHSA-N","kegg_id":"C00049","other_id":"79","other_id_type":"BinBase"},{"Metabolite":"benzoic acid","moverz_quant":"179","ri":"339067","ri_type":"Fiehn","pubchem_id":"243","inchi_key":"WPYMKLBDIGXBTP-UHFFFAOYSA-N","kegg_id":"C00180","other_id":"36","other_id_type":"BinBase"},{"Metabolite":"beta-alanine","moverz_quant":"248","ri":"435564","ri_type":"Fiehn","pubchem_id":"239","inchi_key":"UCMIRNVEIXFBKS-UHFFFAOYSA-N","kegg_id":"C00099","other_id":"148","other_id_type":"BinBase"},{"Metabolite":"cholesterol","moverz_quant":"129","ri":"1076014","ri_type":"Fiehn","pubchem_id":"5997","inchi_key":"","kegg_id":"C00187","other_id":"87943","other_id_type":"BinBase"},{"Metabolite":"citric acid","moverz_quant":"273","ri":"620091","ri_type":"Fiehn","pubchem_id":"311","inchi_key":"","kegg_id":"C00158","other_id":"37754","other_id_type":"BinBase"},{"Metabolite":"cysteine","moverz_quant":"220","ri":"500158","ri_type":"Fiehn","pubchem_id":"5862","inchi_key":"XUJNEKJLAYXESH-REOHCLBHSA-N","kegg_id":"C00097","other_id":"65","other_id_type":"BinBase"},{"Metabolite":"cysteine-glycine","moverz_quant":"220","ri":"715335","ri_type":"Fiehn","pubchem_id":"439498","inchi_key":"ZUKPVRWZDMRIEO-VKHMYHEASA-N","kegg_id":"C01419","other_id":"2787","other_id_type":"BinBase"},{"Metabolite":"cytidine-5-monophosphate","moverz_quant":"243","ri":"700635","ri_type":"Fiehn","pubchem_id":"","inchi_key":"","kegg_id":"","other_id":"2246","other_id_type":"BinBase"},{"Metabolite":"cytosin","moverz_quant":"254","ri":"486724","ri_type":"Fiehn","pubchem_id":"597","inchi_key":"OPTASPLRGRRNAP-UHFFFAOYSA-N","kegg_id":"C00380","other_id":"2186","other_id_type":"BinBase"},{"Metabolite":"fructose","moverz_quant":"307","ri":"639442","ri_type":"Fiehn","pubchem_id":"439709","inchi_key":"RFSUNEUAIZKAJO-ARQDHWQXSA-N","kegg_id":"C02336","other_id":"21","other_id_type":"BinBase"},{"Metabolite":"fructose-1,6-bisphosphate","moverz_quant":"315","ri":"939046","ri_type":"Fiehn","pubchem_id":"","inchi_key":"","kegg_id":"","other_id":"110203","other_id_type":"BinBase"},{"Metabolite":"fructose-1-phosphate","moverz_quant":"387","ri":"803180","ri_type":"Fiehn","pubchem_id":"481","inchi_key":"","kegg_id":"C01094","other_id":"87944","other_id_type":"BinBase"},{"Metabolite":"fructose-6-phosphate","moverz_quant":"315","ri":"804279","ri_type":"Fiehn","pubchem_id":"440641","inchi_key":"","kegg_id":"C05345","other_id":"6431","other_id_type":"BinBase"},{"Metabolite":"fumaric acid","moverz_quant":"245","ri":"392338","ri_type":"Fiehn","pubchem_id":"444972","inchi_key":"","kegg_id":"C00122","other_id":"64523","other_id_type":"BinBase"},{"Metabolite":"glucose","moverz_quant":"117","ri":"714386","ri_type":"Fiehn","pubchem_id":"64689","inchi_key":"WQZGKKKJIJFFOK-VFUOTHLCSA-N","kegg_id":"C00221","other_id":"5","other_id_type":"BinBase"},{"Metabolite":"glucose-1-phosphate","moverz_quant":"217","ri":"597071","ri_type":"Fiehn","pubchem_id":"65533","inchi_key":"","kegg_id":"C00103","other_id":"62291","other_id_type":"BinBase"},{"Metabolite":"glucose-6-phosphate","moverz_quant":"387","ri":"818275","ri_type":"Fiehn","pubchem_id":"5958","inchi_key":"","kegg_id":"C00092","other_id":"308","other_id_type":"BinBase"},{"Metabolite":"glutamic acid","moverz_quant":"246","ri":"529100","ri_type":"Fiehn","pubchem_id":"33032","inchi_key":"","kegg_id":"C00025","other_id":"28","other_id_type":"BinBase"},{"Metabolite":"glutamine","moverz_quant":"156","ri":"600315","ri_type":"Fiehn","pubchem_id":"5961","inchi_key":"ZDXPYRJPNDTMRX-VKHMYHEASA-N","kegg_id":"C00064","other_id":"18","other_id_type":"BinBase"},{"Metabolite":"glutathione","moverz_quant":"213","ri":"761296","ri_type":"Fiehn","pubchem_id":"124886","inchi_key":"","kegg_id":"C00051","other_id":"84386","other_id_type":"BinBase"},{"Metabolite":"glyceric acid","moverz_quant":"189","ri":"377495","ri_type":"Fiehn","pubchem_id":"439194","inchi_key":"","kegg_id":"C00258","other_id":"48","other_id_type":"BinBase"},{"Metabolite":"glycerol-alpha-phosphate","moverz_quant":"357","ri":"593299","ri_type":"Fiehn","pubchem_id":"754","inchi_key":"","kegg_id":"C03189","other_id":"62254","other_id_type":"BinBase"},{"Metabolite":"glycine","moverz_quant":"248","ri":"368707","ri_type":"Fiehn","pubchem_id":"750","inchi_key":"DHMQDGOQFOQNFH-UHFFFAOYSA-N","kegg_id":"C00037","other_id":"6","other_id_type":"BinBase"},{"Metabolite":"glycolic acid","moverz_quant":"177","ri":"227636","ri_type":"Fiehn","pubchem_id":"757","inchi_key":"AEMRFAOFKBGASW-UHFFFAOYSA-N","kegg_id":"C00160","other_id":"1971","other_id_type":"BinBase"},{"Metabolite":"guanine","moverz_quant":"352","ri":"744307","ri_type":"Fiehn","pubchem_id":"764","inchi_key":"","kegg_id":"C00242","other_id":"2519","other_id_type":"BinBase"},{"Metabolite":"guanosine","moverz_quant":"324","ri":"957445","ri_type":"Fiehn","pubchem_id":"6802","inchi_key":"","kegg_id":"C00387","other_id":"64568","other_id_type":"BinBase"},{"Metabolite":"heptadecanoic acid","moverz_quant":"117","ri":"751309","ri_type":"Fiehn","pubchem_id":"10465","inchi_key":"KEMQGTRYUADPNZ-UHFFFAOYSA-N","kegg_id":"","other_id":"727","other_id_type":"BinBase"},{"Metabolite":"hexose-6-phosphate","moverz_quant":"387","ri":"806282","ri_type":"Fiehn","pubchem_id":"208","inchi_key":"","kegg_id":"C02965","other_id":"18607","other_id_type":"BinBase"},{"Metabolite":"hexose NIST","moverz_quant":"204","ri":"682268","ri_type":"Fiehn","pubchem_id":"206","inchi_key":"","kegg_id":"","other_id":"62272","other_id_type":"BinBase"},{"Metabolite":"hydroxylamine","moverz_quant":"146","ri":"255241","ri_type":"Fiehn","pubchem_id":"787","inchi_key":"","kegg_id":"C00192","other_id":"139","other_id_type":"BinBase"},{"Metabolite":"hypoxanthine","moverz_quant":"265","ri":"619128","ri_type":"Fiehn","pubchem_id":"790","inchi_key":"","kegg_id":"C00262","other_id":"1663","other_id_type":"BinBase"},{"Metabolite":"inosine","moverz_quant":"230","ri":"897434","ri_type":"Fiehn","pubchem_id":"6021","inchi_key":"","kegg_id":"C00294","other_id":"84524","other_id_type":"BinBase"},{"Metabolite":"inosine-5'-monophosphate","moverz_quant":"169","ri":"1018687","ri_type":"Fiehn","pubchem_id":"8582","inchi_key":"","kegg_id":"C00130","other_id":"68093","other_id_type":"BinBase"},{"Metabolite":"isoleucine","moverz_quant":"158","ri":"359251","ri_type":"Fiehn","pubchem_id":"6306","inchi_key":"AGPKZVBTJJNPAG-WHFBIAKZSA-N","kegg_id":"C00407","other_id":"15","other_id_type":"BinBase"},{"Metabolite":"lactic acid","moverz_quant":"191","ri":"217657","ri_type":"Fiehn","pubchem_id":"612","inchi_key":"JVTAAEKCZFNVCJ-UHFFFAOYSA-N","kegg_id":"C01432","other_id":"80","other_id_type":"BinBase"},{"Metabolite":"lauric acid","moverz_quant":"117","ri":"547906","ri_type":"Fiehn","pubchem_id":"3893","inchi_key":"POULHZVOKOAJMA-UHFFFAOYSA-N","kegg_id":"C02679","other_id":"49","other_id_type":"BinBase"},{"Metabolite":"levoglucosan","moverz_quant":"204","ri":"569637","ri_type":"Fiehn","pubchem_id":"2724705","inchi_key":"","kegg_id":"0","other_id":"3169","other_id_type":"BinBase"},{"Metabolite":"lysine","moverz_quant":"156","ri":"663483","ri_type":"Fiehn","pubchem_id":"5962","inchi_key":"KDXKERNSBIXSRK-YFKPBYRVSA-N","kegg_id":"C00047","other_id":"12","other_id_type":"BinBase"},{"Metabolite":"malic acid","moverz_quant":"233","ri":"463180","ri_type":"Fiehn","pubchem_id":"525","inchi_key":"BJEPYKJPYRNKOW-UHFFFAOYSA-N","kegg_id":"C00711","other_id":"1391","other_id_type":"BinBase"},{"Metabolite":"mannose-6-phosphate NIST","moverz_quant":"387","ri":"822643","ri_type":"Fiehn","pubchem_id":"65127","inchi_key":"","kegg_id":"C00275","other_id":"87363","other_id_type":"BinBase"},{"Metabolite":"methionine","moverz_quant":"176","ri":"483560","ri_type":"Fiehn","pubchem_id":"6137","inchi_key":"FFEARJCKVFRZRR-BYPYZUCNSA-N","kegg_id":"C00073","other_id":"45","other_id_type":"BinBase"},{"Metabolite":"myristic acid","moverz_quant":"117","ri":"634414","ri_type":"Fiehn","pubchem_id":"11005","inchi_key":"TUNFSRHWOTWDNC-UHFFFAOYSA-N","kegg_id":"C06424","other_id":"127","other_id_type":"BinBase"},{"Metabolite":"N-acetylgalactosamine","moverz_quant":"202","ri":"725570","ri_type":"Fiehn","pubchem_id":"440552","inchi_key":"","kegg_id":"C05021","other_id":"62259","other_id_type":"BinBase"},{"Metabolite":"N-acetyl-L-ornithine","moverz_quant":"174","ri":"694651","ri_type":"Fiehn","pubchem_id":"439232","inchi_key":"","kegg_id":"C00437","other_id":"19188","other_id_type":"BinBase"},{"Metabolite":"nicotinamide","moverz_quant":"179","ri":"469827","ri_type":"Fiehn","pubchem_id":"936","inchi_key":"","kegg_id":"C00153","other_id":"1749","other_id_type":"BinBase"},{"Metabolite":"nicotinic acid","moverz_quant":"180","ri":"366992","ri_type":"Fiehn","pubchem_id":"938","inchi_key":"","kegg_id":"C00253","other_id":"285","other_id_type":"BinBase"},{"Metabolite":"N-methylalanine","moverz_quant":"130","ri":"286855","ri_type":"Fiehn","pubchem_id":"5288725","inchi_key":"","kegg_id":"C02721","other_id":"35","other_id_type":"BinBase"},{"Metabolite":"O-acetylserine","moverz_quant":"174","ri":"414914","ri_type":"Fiehn","pubchem_id":"99478","inchi_key":"","kegg_id":"C00979","other_id":"3943","other_id_type":"BinBase"},{"Metabolite":"oleic acid","moverz_quant":"339","ri":"779120","ri_type":"Fiehn","pubchem_id":"445639","inchi_key":"","kegg_id":"C00712","other_id":"43","other_id_type":"BinBase"},{"Metabolite":"ornithine 4tms","moverz_quant":"142","ri":"619548","ri_type":"Fiehn","pubchem_id":"6262","inchi_key":"AHLPHDHHMVZTML-BYPYZUCNSA-N","kegg_id":"C00077","other_id":"1964","other_id_type":"BinBase"},{"Metabolite":"orotic acid","moverz_quant":"254","ri":"586317","ri_type":"Fiehn","pubchem_id":"967","inchi_key":"PXQPEWDEAKTCGB-UHFFFAOYSA-N","kegg_id":"C00295","other_id":"18492","other_id_type":"BinBase"},{"Metabolite":"oxoproline","moverz_quant":"156","ri":"485935","ri_type":"Fiehn","pubchem_id":"7405","inchi_key":"","kegg_id":"C01879","other_id":"10","other_id_type":"BinBase"},{"Metabolite":"palmitic acid","moverz_quant":"313","ri":"713809","ri_type":"Fiehn","pubchem_id":"985","inchi_key":"IPCSVZSSVZVIGE-UHFFFAOYSA-N","kegg_id":"C00249","other_id":"11","other_id_type":"BinBase"},{"Metabolite":"palmitoleic acid","moverz_quant":"117","ri":"706508","ri_type":"Fiehn","pubchem_id":"445638","inchi_key":"SECPZKHBENQXJG-FPLPWBNLSA-N","kegg_id":"C08362","other_id":"96","other_id_type":"BinBase"},{"Metabolite":"pelargonic acid","moverz_quant":"117","ri":"399229","ri_type":"Fiehn","pubchem_id":"8158","inchi_key":"FBUKVWPVBMHYJY-UHFFFAOYSA-N","kegg_id":"C01601","other_id":"50","other_id_type":"BinBase"},{"Metabolite":"pentadecanoic acid","moverz_quant":"117","ri":"674647","ri_type":"Fiehn","pubchem_id":"13849","inchi_key":"","kegg_id":"C16537","other_id":"1680","other_id_type":"BinBase"},{"Metabolite":"phenylalanine","moverz_quant":"218","ri":"537804","ri_type":"Fiehn","pubchem_id":"6140","inchi_key":"COLNVLDHVKWLRT-QMMMGPOBSA-N","kegg_id":"C00079","other_id":"33","other_id_type":"BinBase"},{"Metabolite":"phosphate","moverz_quant":"314","ri":"345365","ri_type":"Fiehn","pubchem_id":"1004","inchi_key":"","kegg_id":"C00009","other_id":"4","other_id_type":"BinBase"},{"Metabolite":"phosphoenolpyruvate","moverz_quant":"211","ri":"518184","ri_type":"Fiehn","pubchem_id":"","inchi_key":"","kegg_id":"","other_id":"1685","other_id_type":"BinBase"},{"Metabolite":"phosphoethanolamine","moverz_quant":"299","ri":"604335","ri_type":"Fiehn","pubchem_id":"1015","inchi_key":"","kegg_id":"C00346","other_id":"41988","other_id_type":"BinBase"},{"Metabolite":"proline","moverz_quant":"142","ri":"364716","ri_type":"Fiehn","pubchem_id":"145742","inchi_key":"ONIBWKKTOPOVIA-BYPYZUCNSA-N","kegg_id":"C00148","other_id":"8","other_id_type":"BinBase"},{"Metabolite":"propane-1,3-diol NIST","moverz_quant":"177","ri":"214380","ri_type":"Fiehn","pubchem_id":"10442","inchi_key":"YPFDHNVEDLHUCE-UHFFFAOYSA-N","kegg_id":"C02457","other_id":"282","other_id_type":"BinBase"},{"Metabolite":"putrescine","moverz_quant":"174","ri":"588119","ri_type":"Fiehn","pubchem_id":"1049","inchi_key":"","kegg_id":"C00138","other_id":"21703","other_id_type":"BinBase"},{"Metabolite":"pyrophosphate","moverz_quant":"110","ri":"327517","ri_type":"Fiehn","pubchem_id":"1023","inchi_key":"","kegg_id":"C00013","other_id":"88181","other_id_type":"BinBase"},{"Metabolite":"ribose","moverz_quant":"217","ri":"553135","ri_type":"Fiehn","pubchem_id":"5779","inchi_key":"HMFHBZSHGGEWLO-SOOFDHNKSA-N","kegg_id":"C00121","other_id":"1662","other_id_type":"BinBase"},{"Metabolite":"ribose-5-phosphate","moverz_quant":"315","ri":"733959","ri_type":"Fiehn","pubchem_id":"439167","inchi_key":"","kegg_id":"C00117","other_id":"13110","other_id_type":"BinBase"},{"Metabolite":"serine","moverz_quant":"218","ri":"395020","ri_type":"Fiehn","pubchem_id":"5951","inchi_key":"MTCFGRXMJLQNBG-REOHCLBHSA-N","kegg_id":"C00065","other_id":"25","other_id_type":"BinBase"},{"Metabolite":"spermidine","moverz_quant":"144","ri":"792924","ri_type":"Fiehn","pubchem_id":"1102","inchi_key":"","kegg_id":"C00315","other_id":"1714","other_id_type":"BinBase"},{"Metabolite":"stearic acid","moverz_quant":"100","ri":"329250","ri_type":"Fiehn","pubchem_id":"5281","inchi_key":"QIQXTHQIDYTFRH-UHFFFAOYSA-N","kegg_id":"C01530","other_id":"13","other_id_type":"BinBase"},{"Metabolite":"succinic acid","moverz_quant":"247","ri":"370608","ri_type":"Fiehn","pubchem_id":"1110","inchi_key":"KDYFGRWQOYBRFD-UHFFFAOYSA-N","kegg_id":"C00042","other_id":"161","other_id_type":"BinBase"},{"Metabolite":"threonine","moverz_quant":"218","ri":"409568","ri_type":"Fiehn","pubchem_id":"6288","inchi_key":"AYFVYJQAPQTCCC-GBXIJSLDSA-N","kegg_id":"C00188","other_id":"26","other_id_type":"BinBase"},{"Metabolite":"thymidine","moverz_quant":"170","ri":"349402","ri_type":"Fiehn","pubchem_id":"5789","inchi_key":"IQFYYKKMVGJFEH-XLPZGREQSA-N","kegg_id":"C00214","other_id":"87703","other_id_type":"BinBase"},{"Metabolite":"thymidine-5-phosphate","moverz_quant":"170","ri":"608111","ri_type":"Fiehn","pubchem_id":"9700","inchi_key":"","kegg_id":"C00364","other_id":"1810","other_id_type":"BinBase"},{"Metabolite":"thymine","moverz_quant":"255","ri":"420133","ri_type":"Fiehn","pubchem_id":"1135","inchi_key":"","kegg_id":"C00178","other_id":"1692","other_id_type":"BinBase"},{"Metabolite":"tryptophan","moverz_quant":"202","ri":"780482","ri_type":"Fiehn","pubchem_id":"6305","inchi_key":"QIVBCDIJIAJPQS-VIFPVBQESA-N","kegg_id":"C00078","other_id":"14","other_id_type":"BinBase"},{"Metabolite":"tyrosine","moverz_quant":"218","ri":"671252","ri_type":"Fiehn","pubchem_id":"6057","inchi_key":"OUYCCCASQSFEME-QMMMGPOBSA-N","kegg_id":"C00082","other_id":"16","other_id_type":"BinBase"},{"Metabolite":"UDP-glucuronic acid","moverz_quant":"217","ri":"587601","ri_type":"Fiehn","pubchem_id":"17473","inchi_key":"","kegg_id":"C00167","other_id":"7831","other_id_type":"BinBase"},{"Metabolite":"UDP-N-acetylglucosamine","moverz_quant":"226","ri":"625003","ri_type":"Fiehn","pubchem_id":"445675","inchi_key":"","kegg_id":"C00043","other_id":"62293","other_id_type":"BinBase"},{"Metabolite":"uracil","moverz_quant":"241","ri":"385735","ri_type":"Fiehn","pubchem_id":"1174","inchi_key":"","kegg_id":"C00106","other_id":"1664","other_id_type":"BinBase"},{"Metabolite":"urea","moverz_quant":"189","ri":"332913","ri_type":"Fiehn","pubchem_id":"1176","inchi_key":"","kegg_id":"C00086","other_id":"22329","other_id_type":"BinBase"},{"Metabolite":"uridine-5'-monophosphate","moverz_quant":"169","ri":"980179","ri_type":"Fiehn","pubchem_id":"","inchi_key":"","kegg_id":"","other_id":"110201","other_id_type":"BinBase"},{"Metabolite":"valine","moverz_quant":"144","ri":"313502","ri_type":"Fiehn","pubchem_id":"6287","inchi_key":"","kegg_id":"C00183","other_id":"3","other_id_type":"BinBase"},{"Metabolite":"xylulose NIST","moverz_quant":"173","ri":"553450","ri_type":"Fiehn","pubchem_id":"22253","inchi_key":"","kegg_id":"C00312","other_id":"31632","other_id_type":"BinBase"},{"Metabolite":"uridine-5-monophosphate","moverz_quant":"169","ri":"980179","ri_type":"","pubchem_id":"","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"ornithine","moverz_quant":"142","ri":"619548","ri_type":"6262","pubchem_id":"","inchi_key":"C00077","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"inosine-5-monophosphate","moverz_quant":"169","ri":"1018687","ri_type":"8582","pubchem_id":"","inchi_key":"C00130","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"2-deoxyguanosine","moverz_quant":"295","ri":"962182","ri_type":"187790","pubchem_id":"","inchi_key":"C00330","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"2,5-dihydroxypyrazine NIST","moverz_quant":"241","ri":"397526","ri_type":"23368901","pubchem_id":"","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""}]
}

}