{ "METABOLOMICS WORKBENCH":{"STUDY_ID":"ST002815","ANALYSIS_ID":"AN004582","VERSION":"1","CREATED_ON":"August 17, 2023, 11:27 am"}, "PROJECT":{"PROJECT_TITLE":"Investigation of metabolism in hypertrophic cardiomyopathy","PROJECT_SUMMARY":"We propose the use of targeted metabolomics to define the metabolic and molecular pathways altered in 2 mouse models (R92W-TnT and R403Q-MHC) of hypertrophic cardiomyopathy (HCM) that span the spectrum of human disease (heart failure and sudden death), with the goal of identifying treatment targets. Parallel targeted metabolomics studies will be performed in heart tissue and plasma at rest and following inotrope stimulation. Since energy compromise is expected to be most marked when the heart is subject to increased workload, as is the case during high-intensity exercise or inotropic stimulation, we propose metabolomics studies in heart tissue and plasma, at rest and following inotrope stimulation. We anticipate that the results of these studies will allow us to move forward with further investigations into specific metabolites of interest as biomarkers, to be tested in HCM patients in future studies.","INSTITUTE":"University of California, San Francisco","DEPARTMENT":"Hypertrophic Cardiomyopathy Center of Excellence","LABORATORY":"UCSF Smith Cardiovascular Research Building","LAST_NAME":"Abraham","FIRST_NAME":"Maria Roselle","ADDRESS":"555 Mission Bay Boulevard South, San Francisco, CA 94158","EMAIL":"Roselle.Abraham@ucsf.edu","PHONE":"415-502-3911","CONTRIBUTORS":"Arpana Vaniya (avaniya@ucdavis.edu), Anja Karlstaedt (Anja.Karlstaedt@cshs.org)"}, "STUDY":{"STUDY_TITLE":"Investigation of metabolism in hypertrophic cardiomyopathy - HILIC","STUDY_SUMMARY":"We propose the use of targeted metabolomics to define the metabolic and molecular pathways altered in 2 mouse models (R92W-TnT and R403Q-MHC) of hypertrophic cardiomyopathy (HCM) that span the spectrum of human disease (heart failure and sudden death), with the goal of identifying treatment targets. Parallel targeted metabolomics studies will be performed in heart tissue and plasma at rest and following inotrope stimulation. Since energy compromise is expected to be most marked when the heart is subject to increased workload, as is the case during high-intensity exercise or inotropic stimulation, we propose metabolomics studies in heart tissue and plasma, at rest and following inotrope stimulation. We anticipate that the results of these studies will allow us to move forward with further investigations into specific metabolites of interest as biomarkers, to be tested in HCM patients in future studies.","INSTITUTE":"University of California, San Francisco","DEPARTMENT":"Hypertrophic Cardiomyopathy Center of Excellence","LABORATORY":"UCSF Smith Cardiovascular Research Building","LAST_NAME":"Abraham","FIRST_NAME":"Maria Roselle","ADDRESS":"555 Mission Bay Boulevard South, San Francisco, CA 94158","EMAIL":"Roselle.Abraham@ucsf.edu","NUM_GROUPS":"2 groups of 2 (i.e., mutant vs control of two mouse models of HCM (R402Q-MyHC, R92W-TnT)","TOTAL_SUBJECTS":"32","PHONE":"415-502-3911"}, "SUBJECT":{"SUBJECT_TYPE":"Mammal","SUBJECT_SPECIES":"Mus musculus","TAXONOMY_ID":"10090"}, "SUBJECT_SAMPLE_FACTORS":[ { "Subject ID":"-", "Sample ID":"M438", "Factors":{"Treatment":"Control MHC"}, "Additional sample data":{"RAW_FILE_NAME":"Abraham057_MX394162_posHILIC_M438_011.wiff"} }, { "Subject ID":"-", "Sample ID":"M440", "Factors":{"Treatment":"Control MHC"}, "Additional sample data":{"RAW_FILE_NAME":"Abraham007_MX394162_posHILIC_M440_012.wiff"} }, { "Subject ID":"-", "Sample ID":"M447", "Factors":{"Treatment":"Control MHC"}, "Additional sample data":{"RAW_FILE_NAME":"Abraham045_MX394162_posHILIC_M447_009.wiff"} }, { "Subject ID":"-", "Sample ID":"M485", "Factors":{"Treatment":"Control MHC"}, "Additional sample data":{"RAW_FILE_NAME":"Abraham020_MX394162_posHILIC_M485_013.wiff"} }, { "Subject ID":"-", "Sample ID":"M487", "Factors":{"Treatment":"Control MHC"}, "Additional sample data":{"RAW_FILE_NAME":"Abraham004_MX394162_posHILIC_M487_014.wiff"} }, { "Subject ID":"-", "Sample ID":"M492", "Factors":{"Treatment":"Control MHC"}, "Additional sample data":{"RAW_FILE_NAME":"Abraham037_MX394162_posHILIC_M492_016.wiff"} }, { "Subject ID":"-", "Sample ID":"M499", "Factors":{"Treatment":"Control MHC"}, "Additional sample data":{"RAW_FILE_NAME":"Abraham016_MX394162_posHILIC_M499_010_2.wiff"} }, { "Subject ID":"-", "Sample ID":"M503", "Factors":{"Treatment":"Control MHC"}, "Additional sample data":{"RAW_FILE_NAME":"Abraham038_MX394162_posHILIC_M503_025.wiff"} }, { "Subject ID":"-", "Sample ID":"T515", "Factors":{"Treatment":"Control TNT"}, "Additional sample data":{"RAW_FILE_NAME":"Abraham043_MX394162_posHILIC_T515_041.wiff"} }, { "Subject ID":"-", "Sample ID":"T518", "Factors":{"Treatment":"Control TNT"}, "Additional sample data":{"RAW_FILE_NAME":"Abraham022_MX394162_posHILIC_T518_042.wiff"} }, { "Subject ID":"-", "Sample ID":"T520", "Factors":{"Treatment":"Control TNT"}, "Additional sample data":{"RAW_FILE_NAME":"Abraham006_MX394162_posHILIC_T520_043.wiff"} }, { "Subject ID":"-", "Sample ID":"T522", "Factors":{"Treatment":"Control TNT"}, "Additional sample data":{"RAW_FILE_NAME":"Abraham005_MX394162_posHILIC_T522_044_2.wiff"} }, { "Subject ID":"-", "Sample ID":"T524", "Factors":{"Treatment":"Control TNT"}, "Additional sample data":{"RAW_FILE_NAME":"Abraham024_MX394162_posHILIC_T524_045.wiff"} }, { "Subject ID":"-", "Sample ID":"T544", "Factors":{"Treatment":"Control TNT"}, "Additional sample data":{"RAW_FILE_NAME":"Abraham046_MX394162_posHILIC_T544_046.wiff"} }, { "Subject ID":"-", "Sample ID":"T545", "Factors":{"Treatment":"Control TNT"}, "Additional sample data":{"RAW_FILE_NAME":"Abraham060_MX394162_posHILIC_T545_047.wiff"} }, { "Subject ID":"-", "Sample ID":"T547", "Factors":{"Treatment":"Control TNT"}, "Additional sample data":{"RAW_FILE_NAME":"Abraham054_MX394162_posHILIC_T547_048.wiff"} }, { "Subject ID":"-", "Sample ID":"M500", "Factors":{"Treatment":"MHC"}, "Additional sample data":{"RAW_FILE_NAME":"Abraham017_MX394162_posHILIC_M500_015.wiff"} }, { "Subject ID":"-", "Sample ID":"M439", "Factors":{"Treatment":"MHC"}, "Additional sample data":{"RAW_FILE_NAME":"Abraham021_MX394162_posHILIC_M439_026.wiff"} }, { "Subject ID":"-", "Sample ID":"M441", "Factors":{"Treatment":"MHC"}, "Additional sample data":{"RAW_FILE_NAME":"Abraham062_MX394162_posHILIC_M441_027.wiff"} }, { "Subject ID":"-", "Sample ID":"M504", "Factors":{"Treatment":"MHC"}, "Additional sample data":{"RAW_FILE_NAME":"Abraham039_MX394162_posHILIC_M504_028.wiff"} }, { "Subject ID":"-", "Sample ID":"M483", "Factors":{"Treatment":"MHC"}, "Additional sample data":{"RAW_FILE_NAME":"Abraham051_MX394162_posHILIC_M483_029.wiff"} }, { "Subject ID":"-", "Sample ID":"M486", "Factors":{"Treatment":"MHC"}, "Additional sample data":{"RAW_FILE_NAME":"Abraham047_MX394162_posHILIC_M486_030.wiff"} }, { "Subject ID":"-", "Sample ID":"M540", "Factors":{"Treatment":"MHC"}, "Additional sample data":{"RAW_FILE_NAME":"Abraham042_MX394162_posHILIC_M540_031.wiff"} }, { "Subject ID":"-", "Sample ID":"M498", "Factors":{"Treatment":"MHC"}, "Additional sample data":{"RAW_FILE_NAME":"Abraham011_MX394162_posHILIC_M498_032_2.wiff"} }, { "Subject ID":"-", "Sample ID":"T519", "Factors":{"Treatment":"TNT"}, "Additional sample data":{"RAW_FILE_NAME":"Abraham030_MX394162_posHILIC_T519_057.wiff"} }, { "Subject ID":"-", "Sample ID":"T521", "Factors":{"Treatment":"TNT"}, "Additional sample data":{"RAW_FILE_NAME":"Abraham061_MX394162_posHILIC_T521_058.wiff"} }, { "Subject ID":"-", "Sample ID":"T523", "Factors":{"Treatment":"TNT"}, "Additional sample data":{"RAW_FILE_NAME":"Abraham002_MX394162_posHILIC_T523_059.wiff"} }, { "Subject ID":"-", "Sample ID":"T525", "Factors":{"Treatment":"TNT"}, "Additional sample data":{"RAW_FILE_NAME":"Abraham027_MX394162_posHILIC_T525_060.wiff"} }, { "Subject ID":"-", "Sample ID":"T527", "Factors":{"Treatment":"TNT"}, "Additional sample data":{"RAW_FILE_NAME":"Abraham013_MX394162_posHILIC_T527_061.wiff"} }, { "Subject ID":"-", "Sample ID":"T540", "Factors":{"Treatment":"TNT"}, "Additional sample data":{"RAW_FILE_NAME":"Abraham055_MX394162_posHILIC_T540_062.wiff"} }, { "Subject ID":"-", "Sample ID":"T542", "Factors":{"Treatment":"TNT"}, "Additional sample data":{"RAW_FILE_NAME":"Abraham048_MX394162_posHILIC_T542_063_2.wiff"} }, { "Subject ID":"-", "Sample ID":"T546", "Factors":{"Treatment":"TNT"}, "Additional sample data":{"RAW_FILE_NAME":"Abraham032_MX394162_posHILIC_T546_064.wiff"} }, { "Subject ID":"-", "Sample ID":"Biorec001", "Factors":{"Treatment":"QC"}, "Additional sample data":{"RAW_FILE_NAME":"Biorec001_MX394162_posHILIC_preAbraham001.wiff"} }, { "Subject ID":"-", "Sample ID":"Biorec002", "Factors":{"Treatment":"QC"}, "Additional sample data":{"RAW_FILE_NAME":"Biorec002_MX394162_posHILIC_postAbraham010.wiff"} }, { "Subject ID":"-", "Sample ID":"Biorec003", "Factors":{"Treatment":"QC"}, "Additional sample data":{"RAW_FILE_NAME":"Biorec003_MX394162_posHILIC_postAbraham020.wiff"} }, { "Subject ID":"-", "Sample ID":"Biorec004", "Factors":{"Treatment":"QC"}, "Additional sample data":{"RAW_FILE_NAME":"Biorec004_MX394162_posHILIC_postAbraham030.wiff"} }, { "Subject ID":"-", "Sample ID":"Biorec005", "Factors":{"Treatment":"QC"}, "Additional sample data":{"RAW_FILE_NAME":"Biorec005_MX394162_posHILIC_postAbraham040.wiff"} }, { "Subject ID":"-", "Sample ID":"Biorec006", "Factors":{"Treatment":"QC"}, "Additional sample data":{"RAW_FILE_NAME":"Biorec006_MX394162_posHILIC_postAbraham050.wiff"} }, { "Subject ID":"-", "Sample ID":"Biorec007", "Factors":{"Treatment":"QC"}, "Additional sample data":{"RAW_FILE_NAME":"Biorec007_MX394162_posHILIC_postAbraham064.wiff"} }, { "Subject ID":"-", "Sample ID":"MtdBlank001", "Factors":{"Treatment":"Method Blank"}, "Additional sample data":{"RAW_FILE_NAME":"MtdBlank001_MX394162_posHILIC_preAbraham001.wiff"} }, { "Subject ID":"-", "Sample ID":"MtdBlank002", "Factors":{"Treatment":"Method Blank"}, "Additional sample data":{"RAW_FILE_NAME":"MtdBlank002_MX394162_posHILIC_postAbraham010.wiff"} }, { "Subject ID":"-", "Sample ID":"MtdBlank003", "Factors":{"Treatment":"Method Blank"}, "Additional sample data":{"RAW_FILE_NAME":"MtdBlank003_MX394162_posHILIC_postAbraham020.wiff"} }, { "Subject ID":"-", "Sample ID":"MtdBlank004", "Factors":{"Treatment":"Method Blank"}, "Additional sample data":{"RAW_FILE_NAME":"MtdBlank004_MX394162_posHILIC_postAbraham030.wiff"} }, { "Subject ID":"-", "Sample ID":"MtdBlank005", "Factors":{"Treatment":"Method Blank"}, "Additional sample data":{"RAW_FILE_NAME":"MtdBlank005_MX394162_posHILIC_postAbraham040.wiff"} }, { "Subject ID":"-", "Sample ID":"MtdBlank006", "Factors":{"Treatment":"Method Blank"}, "Additional sample data":{"RAW_FILE_NAME":"MtdBlank006_MX394162_posHILIC_postAbraham050.wiff"} }, { "Subject ID":"-", "Sample ID":"MtdBlank007", "Factors":{"Treatment":"Method Blank"}, "Additional sample data":{"RAW_FILE_NAME":"MtdBlank007_MX394162_posHILIC_postAbraham064.wiff"} } ], "COLLECTION":{"COLLECTION_SUMMARY":"Excision while the heart still beating and flash freeze within 15 seconds of excision","SAMPLE_TYPE":"Heart"}, "TREATMENT":{"TREATMENT_SUMMARY":"Saline IP and heparine SC injection in control & mutant group. After 10 minutes of saline injection we performed cervical dislocation, whole heart excision and flash freeze within 15 seconds of excision."}, "SAMPLEPREP":{"SAMPLEPREP_SUMMARY":"2 mg of lyophilized tissue extracted with 1 mL 3:3:2 ACN/IPA/H2O 450 uL of extract dried and resuspended in 80:20 ACN/H2O."}, "CHROMATOGRAPHY":{"CHROMATOGRAPHY_SUMMARY":"Waters Acquity UPLC BEH Amide VanGuard pre-column (1.7 μm , 5 mm × 2.1 mm;)","CHROMATOGRAPHY_TYPE":"HILIC","INSTRUMENT_NAME":"Agilent 1290","COLUMN_NAME":"Waters Acquity UPLC BEH Amide Column, 1.7 μm, 2.1 mm x 150 mm) Pre-column: Waters Acquity UPLC BEH Amide VanGuard pre-column (1.7 μm , 5 mm × 2.1 mm;)","SOLVENT_A":"Ultrapure water with 10 mM ammonium formiate + 0.125% formic acid, pH 3","SOLVENT_B":"95:5 v/v acetonitrile:ultrapure water w/ 10 mM ammonium formiate + 0.125% formic acid, pH 3","FLOW_GRADIENT":"0 min 100% (B), 0-2 min 100% (B), 2-7 min 70% (B), 7.7-9 min 40% (B), 9.5-10.25 min 30% (B), 10.25- 12.75 min 100% (B), 16.75 min 100% (B)","FLOW_RATE":"0.4 mL/min","COLUMN_TEMPERATURE":"40C"}, "ANALYSIS":{"ANALYSIS_TYPE":"MS","LABORATORY_NAME":"UC Davis West Coast Metabolomics Center"}, "MS":{"INSTRUMENT_NAME":"ABI Sciex 6600 TripleTOF","INSTRUMENT_TYPE":"Triple TOF","MS_TYPE":"ESI","ION_MODE":"POSITIVE","MS_COMMENTS":"The triple time-of-flight (TTOF) mass spectrometers are operated with electrospray ionization (ESI) performing full scan in the mass range m/z 50-1500 in positive mode. Instrument parameters are as follows: Gas Temp 500°C, Ion Source Gas 1 50, Ion Source Gas 2 50, Curtain Gas 34, Ion Spray Voltage 4000 V. Data was collected in centroid mode, cycle time 0.5 seconds for a total of 1679 cycles. Full MS-ddMS/MS was acquired."}, "MS_METABOLITE_DATA":{ "Units":"peak heights", "Data":[{"Metabolite":"1_15N2-L-Arginine iSTD","M438":"15482","M440":"16089","M447":"14164","M485":"9239","M487":"10305","M492":"6050","M499":"4271","M503":"3845","T515":"11049","T518":"6147","T520":"20015","T522":"4976","T524":"5948","T544":"13916","T545":"11407","T547":"9973","M500":"2432","M439":"12679","M441":"7173","M504":"3636","M483":"8587","M486":"11921","M540":"14420","M498":"4252","T519":"5857","T521":"11225","T523":"11772","T525":"7207","T527":"7019","T540":"16434","T542":"7501","T546":"9345","Biorec001":"10521","Biorec002":"10295","Biorec003":"6290","Biorec004":"5246","Biorec005":"11370","Biorec006":"12728","Biorec007":"7197","MtdBlank001":"14263","MtdBlank002":"13679","MtdBlank003":"5005","MtdBlank004":"9013","MtdBlank005":"18090","MtdBlank006":"16620","MtdBlank007":"9695"},{"Metabolite":"1_CUDA iSTD","M438":"52755","M440":"59793","M447":"46891","M485":"78730","M487":"84144","M492":"75783","M499":"89650","M503":"81626","T515":"33218","T518":"81685","T520":"79823","T522":"83527","T524":"89494","T544":"35455","T545":"71520","T547":"52564","M500":"82362","M439":"59621","M441":"77404","M504":"76112","M483":"47223","M486":"25102","M540":"21959","M498":"78939","T519":"91293","T521":"62380","T523":"84941","T525":"87692","T527":"87535","T540":"94724","T542":"92906","T546":"99786","Biorec001":"168872","Biorec002":"145670","Biorec003":"146302","Biorec004":"121956","Biorec005":"131006","Biorec006":"142156","Biorec007":"146323","MtdBlank001":"135329","MtdBlank002":"110569","MtdBlank003":"82244","MtdBlank004":"96791","MtdBlank005":"77396","MtdBlank006":"112241","MtdBlank007":"108770"},{"Metabolite":"1_D3-1-Methylnicotinamide iSTD","M438":"2744052","M440":"2426296","M447":"2717986","M485":"1592982","M487":"1831977","M492":"1165903","M499":"889646","M503":"960127","T515":"2462449","T518":"1244446","T520":"2838594","T522":"857892","T524":"1208374","T544":"2691206","T545":"2046336","T547":"2089926","M500":"907101","M439":"1526782","M441":"1319122","M504":"879694","M483":"2170340","M486":"2632358","M540":"2521448","M498":"761176","T519":"1024470","T521":"1913174","T523":"1997375","T525":"1286478","T527":"1311642","T540":"2204860","T542":"1035461","T546":"1045226","Biorec001":"2199590","Biorec002":"1910812","Biorec003":"1477932","Biorec004":"1000680","Biorec005":"2031221","Biorec006":"2452850","Biorec007":"1388986","MtdBlank001":"2169246","MtdBlank002":"1835704","MtdBlank003":"890025","MtdBlank004":"1214078","MtdBlank005":"2393128","MtdBlank006":"2289142","MtdBlank007":"1483031"},{"Metabolite":"1_D3-AC(2:0) iSTD","M438":"326611","M440":"305427","M447":"405888","M485":"284358","M487":"326140","M492":"189227","M499":"131053","M503":"165516","T515":"228048","T518":"186518","T520":"357751","T522":"131888","T524":"175008","T544":"368967","T545":"240003","T547":"197806","M500":"89789","M439":"251556","M441":"195809","M504":"103569","M483":"228769","M486":"303239","M540":"389526","M498":"124632","T519":"150490","T521":"262338","T523":"329513","T525":"213835","T527":"265676","T540":"385720","T542":"178612","T546":"185548","Biorec001":"689327","Biorec002":"627632","Biorec003":"430232","Biorec004":"261748","Biorec005":"666344","Biorec006":"710698","Biorec007":"405805","MtdBlank001":"615160","MtdBlank002":"549362","MtdBlank003":"208821","MtdBlank004":"344123","MtdBlank005":"769598","MtdBlank006":"733545","MtdBlank007":"411066"},{"Metabolite":"1_D3-Creatine iSTD","M438":"17664","M440":"18728","M447":"24647","M485":"19868","M487":"27213","M492":"12625","M499":"8933","M503":"12400","T515":"13345","T518":"11588","T520":"29177","T522":"11857","T524":"11857","T544":"24251","T545":"20321","T547":"12182","M500":"7650","M439":"18486","M441":"15217","M504":"9703","M483":"13916","M486":"16681","M540":"17982","M498":"11307","T519":"11438","T521":"19152","T523":"25433","T525":"19564","T527":"20644","T540":"28722","T542":"17498","T546":"17678","Biorec001":"192558","Biorec002":"175454","Biorec003":"125838","Biorec004":"82536","Biorec005":"203958","Biorec006":"222724","Biorec007":"135768","MtdBlank001":"285390","MtdBlank002":"248538","MtdBlank003":"78233","MtdBlank004":"161126","MtdBlank005":"332582","MtdBlank006":"330854","MtdBlank007":"200723"},{"Metabolite":"1_D3-Creatinine iSTD","M438":"578772","M440":"590531","M447":"664141","M485":"492922","M487":"626411","M492":"367015","M499":"259700","M503":"319649","T515":"458462","T518":"343891","T520":"747285","T522":"279239","T524":"363411","T544":"621404","T545":"581622","T547":"465240","M500":"231036","M439":"471717","M441":"407777","M504":"262164","M483":"425847","M486":"542319","M540":"445050","M498":"275803","T519":"381686","T521":"672103","T523":"791899","T525":"503551","T527":"537749","T540":"799493","T542":"415835","T546":"411787","Biorec001":"671559","Biorec002":"570436","Biorec003":"492409","Biorec004":"359056","Biorec005":"621674","Biorec006":"720171","Biorec007":"479519","MtdBlank001":"970167","MtdBlank002":"822672","MtdBlank003":"416406","MtdBlank004":"554598","MtdBlank005":"1103371","MtdBlank006":"1025427","MtdBlank007":"705891"},{"Metabolite":"1_D3-DL-Alanine iSTD","M438":"2844","M440":"2290","M447":"3097","M485":"1829","M487":"2176","M492":"871","M499":"617","M503":"871","T515":"2677","T518":"913","T520":"4147","T522":"686","T524":"644","T544":"3408","T545":"2002","T547":"1439","M500":"445","M439":"1448","M441":"1335","M504":"558","M483":"1207","M486":"1838","M540":"2800","M498":"690","T519":"931","T521":"2444","T523":"2261","T525":"1378","T527":"1709","T540":"3440","T542":"1470","T546":"1341","Biorec001":"7957","Biorec002":"7346","Biorec003":"4793","Biorec004":"3267","Biorec005":"8348","Biorec006":"10190","Biorec007":"5714","MtdBlank001":"9515","MtdBlank002":"8854","MtdBlank003":"2857","MtdBlank004":"5849","MtdBlank005":"11678","MtdBlank006":"10928","MtdBlank007":"7053"},{"Metabolite":"1_D3-DL-Aspartic acid iSTD","M438":"39170","M440":"38355","M447":"37747","M485":"18755","M487":"20525","M492":"10077","M499":"9130","M503":"8949","T515":"30650","T518":"10767","T520":"43763","T522":"9806","T524":"10453","T544":"36560","T545":"26620","T547":"22959","M500":"2971","M439":"17925","M441":"12378","M504":"6476","M483":"17651","M486":"29342","M540":"30706","M498":"7953","T519":"9119","T521":"25726","T523":"23824","T525":"11696","T527":"14465","T540":"40810","T542":"9984","T546":"18303","Biorec001":"22049","Biorec002":"21113","Biorec003":"13710","Biorec004":"8131","Biorec005":"26172","Biorec006":"29357","Biorec007":"17335","MtdBlank001":"29176","MtdBlank002":"26188","MtdBlank003":"9265","MtdBlank004":"16461","MtdBlank005":"39678","MtdBlank006":"34440","MtdBlank007":"19622"},{"Metabolite":"1_D3-DL-Glutamic acid iSTD","M438":"63258","M440":"58845","M447":"59925","M485":"28641","M487":"31406","M492":"17555","M499":"13424","M503":"13822","T515":"43640","T518":"17488","T520":"67368","T522":"16302","T524":"16759","T544":"56987","T545":"38446","T547":"34021","M500":"4974","M439":"28433","M441":"22160","M504":"9483","M483":"31314","M486":"43068","M540":"48328","M498":"13434","T519":"14323","T521":"39349","T523":"34836","T525":"19936","T527":"22654","T540":"56894","T542":"20871","T546":"27654","Biorec001":"53214","Biorec002":"48851","Biorec003":"34629","Biorec004":"17377","Biorec005":"48004","Biorec006":"55712","Biorec007":"32461","MtdBlank001":"51704","MtdBlank002":"46910","MtdBlank003":"21332","MtdBlank004":"33043","MtdBlank005":"63542","MtdBlank006":"57426","MtdBlank007":"34392"},{"Metabolite":"1_D3-Histamine, N-methyl- iSTD","M438":"18552","M440":"19713","M447":"20468","M485":"11945","M487":"12808","M492":"8652","M499":"6274","M503":"7012","T515":"17060","T518":"9052","T520":"19261","T522":"6514","T524":"9318","T544":"20141","T545":"14956","T547":"14603","M500":"5391","M439":"12063","M441":"12103","M504":"5876","M483":"16262","M486":"18013","M540":"19541","M498":"5623","T519":"7386","T521":"16028","T523":"15242","T525":"9286","T527":"10928","T540":"17150","T542":"8815","T546":"7778","Biorec001":"17999","Biorec002":"16025","Biorec003":"10951","Biorec004":"7910","Biorec005":"19210","Biorec006":"20291","Biorec007":"11346","MtdBlank001":"15018","MtdBlank002":"12664","MtdBlank003":"3072","MtdBlank004":"9901","MtdBlank005":"21074","MtdBlank006":"18510","MtdBlank007":"11622"},{"Metabolite":"1_D3-L-Carnitine iSTD","M438":"450386","M440":"441162","M447":"527153","M485":"451878","M487":"599767","M492":"268730","M499":"217115","M503":"276889","T515":"351873","T518":"266297","T520":"660975","T522":"284838","T524":"328976","T544":"609460","T545":"514524","T547":"300891","M500":"154207","M439":"446985","M441":"315114","M504":"189989","M483":"291682","M486":"324911","M540":"323205","M498":"234411","T519":"272410","T521":"461306","T523":"589108","T525":"467031","T527":"431604","T540":"565075","T542":"337607","T546":"370542","Biorec001":"555144","Biorec002":"563509","Biorec003":"447944","Biorec004":"342802","Biorec005":"456341","Biorec006":"538168","Biorec007":"446680","MtdBlank001":"1100098","MtdBlank002":"975112","MtdBlank003":"464838","MtdBlank004":"757428","MtdBlank005":"1287436","MtdBlank006":"1253694","MtdBlank007":"812066"},{"Metabolite":"1_D5-L-Glutamine iSTD","M438":"26526","M440":"28009","M447":"28729","M485":"17999","M487":"21261","M492":"10370","M499":"8082","M503":"11252","T515":"23485","T518":"11939","T520":"36165","T522":"10555","T524":"11403","T544":"27090","T545":"23095","T547":"19763","M500":"5531","M439":"16981","M441":"13410","M504":"7232","M483":"16566","M486":"21696","M540":"24921","M498":"8739","T519":"10202","T521":"20530","T523":"21806","T525":"14519","T527":"14147","T540":"167165","T542":"85160","T546":"79983","Biorec001":"33594","Biorec002":"31689","Biorec003":"26025","Biorec004":"91225","Biorec005":"171221","Biorec006":"192006","Biorec007":"131522","MtdBlank001":"292000","MtdBlank002":"242834","MtdBlank003":"28556","MtdBlank004":"156342","MtdBlank005":"341280","MtdBlank006":"302222","MtdBlank007":"197667"},{"Metabolite":"1_D9-Betaine iSTD","M438":"1294102","M440":"1163301","M447":"1279605","M485":"830297","M487":"992577","M492":"575362","M499":"408067","M503":"500036","T515":"996171","T518":"617240","T520":"1365552","T522":"429313","T524":"608779","T544":"1025242","T545":"934717","T547":"802502","M500":"301350","M439":"821632","M441":"679467","M504":"339555","M483":"766050","M486":"860616","M540":"1157094","M498":"382811","T519":"497838","T521":"819367","T523":"1041656","T525":"668597","T527":"692684","T540":"1065763","T542":"557272","T546":"479900","Biorec001":"1391805","Biorec002":"1265182","Biorec003":"973246","Biorec004":"594811","Biorec005":"1286418","Biorec006":"1478264","Biorec007":"905995","MtdBlank001":"1692833","MtdBlank002":"1499879","MtdBlank003":"675056","MtdBlank004":"922902","MtdBlank005":"1983463","MtdBlank006":"1899255","MtdBlank007":"1118326"},{"Metabolite":"1_D9-Butyrobetaine iSTD","M438":"1038640","M440":"1044878","M447":"1194205","M485":"900365","M487":"1156055","M492":"537162","M499":"423333","M503":"536528","T515":"793848","T518":"533879","T520":"1506317","T522":"530463","T524":"601463","T544":"1290611","T545":"1055460","T547":"695707","M500":"284304","M439":"857164","M441":"639157","M504":"361343","M483":"633107","M486":"755648","M540":"760396","M498":"425336","T519":"528146","T521":"988149","T523":"1146683","T525":"847609","T527":"824364","T540":"1192636","T542":"634151","T546":"702074","Biorec001":"1227205","Biorec002":"1253464","Biorec003":"929299","Biorec004":"643883","Biorec005":"984550","Biorec006":"1170505","Biorec007":"900914","MtdBlank001":"1893665","MtdBlank002":"1680168","MtdBlank003":"709636","MtdBlank004":"1264001","MtdBlank005":"2204918","MtdBlank006":"2146878","MtdBlank007":"1374038"},{"Metabolite":"1_D9-Caffeine iSTD","M438":"49218","M440":"49233","M447":"51224","M485":"49218","M487":"53990","M492":"43469","M499":"40203","M503":"42118","T515":"42837","T518":"45898","T520":"55050","T522":"42791","T524":"49351","T544":"49661","T545":"53229","T547":"49389","M500":"41018","M439":"43477","M441":"53248","M504":"43658","M483":"50652","M486":"49142","M540":"44886","M498":"40925","T519":"43264","T521":"46082","T523":"50216","T525":"47176","T527":"44880","T540":"52832","T542":"41512","T546":"45116","Biorec001":"50768","Biorec002":"47900","Biorec003":"51006","Biorec004":"48262","Biorec005":"42406","Biorec006":"51551","Biorec007":"44351","MtdBlank001":"50364","MtdBlank002":"47701","MtdBlank003":"40792","MtdBlank004":"42781","MtdBlank005":"41145","MtdBlank006":"47857","MtdBlank007":"44849"},{"Metabolite":"1_D9-Choline iSTD","M438":"587030","M440":"521355","M447":"557167","M485":"387912","M487":"485360","M492":"252919","M499":"175853","M503":"222246","T515":"399155","T518":"255078","T520":"593386","T522":"189982","T524":"251031","T544":"489856","T545":"431782","T547":"419324","M500":"174187","M439":"396488","M441":"359479","M504":"195222","M483":"385758","M486":"534654","M540":"470110","M498":"193850","T519":"238128","T521":"421705","T523":"446364","T525":"286097","T527":"283514","T540":"512933","T542":"223557","T546":"247535","Biorec001":"769986","Biorec002":"629675","Biorec003":"469428","Biorec004":"302108","Biorec005":"679063","Biorec006":"849309","Biorec007":"473747","MtdBlank001":"796244","MtdBlank002":"652350","MtdBlank003":"291726","MtdBlank004":"449005","MtdBlank005":"940570","MtdBlank006":"920106","MtdBlank007":"574980"},{"Metabolite":"1_D9-Crotonobetaine iSTD","M438":"600132","M440":"555780","M447":"669742","M485":"508930","M487":"667041","M492":"315712","M499":"248654","M503":"313206","T515":"478010","T518":"314363","T520":"822800","T522":"306137","T524":"368958","T544":"701323","T545":"631984","T547":"402220","M500":"183341","M439":"486070","M441":"363852","M504":"221534","M483":"389149","M486":"444252","M540":"439119","M498":"253492","T519":"319905","T521":"584936","T523":"665676","T525":"509765","T527":"491604","T540":"706569","T542":"383247","T546":"419071","Biorec001":"801863","Biorec002":"776069","Biorec003":"576547","Biorec004":"424610","Biorec005":"708521","Biorec006":"852997","Biorec007":"582537","MtdBlank001":"1269804","MtdBlank002":"1096408","MtdBlank003":"500967","MtdBlank004":"805641","MtdBlank005":"1458659","MtdBlank006":"1385210","MtdBlank007":"881176"},{"Metabolite":"1_D9-TMAO iSTD","M438":"115400","M440":"103453","M447":"108149","M485":"52620","M487":"64420","M492":"35858","M499":"26459","M503":"27269","T515":"99117","T518":"37513","T520":"112109","T522":"27321","T524":"38237","T544":"95459","T545":"76672","T547":"81044","M500":"21119","M439":"49277","M441":"45862","M504":"26121","M483":"76838","M486":"104957","M540":"98143","M498":"23662","T519":"30442","T521":"76199","T523":"70567","T525":"37490","T527":"45329","T540":"102714","T542":"31051","T546":"33653","Biorec001":"88681","Biorec002":"79525","Biorec003":"54673","Biorec004":"30463","Biorec005":"81849","Biorec006":"105772","Biorec007":"58039","MtdBlank001":"91524","MtdBlank002":"74084","MtdBlank003":"26677","MtdBlank004":"45702","MtdBlank005":"117195","MtdBlank006":"99275","MtdBlank007":"61665"},{"Metabolite":"1_Val-Tyr-Val iSTD","M438":"205162","M440":"200296","M447":"195198","M485":"102060","M487":"133433","M492":"81918","M499":"50861","M503":"67136","T515":"222927","T518":"83291","T520":"222664","T522":"54187","T524":"79554","T544":"185630","T545":"162453","T547":"205415","M500":"47777","M439":"109384","M441":"100413","M504":"62279","M483":"205944","M486":"189688","M540":"197144","M498":"45593","T519":"72310","T521":"150016","T523":"156976","T525":"89357","T527":"105082","T540":"282271","T542":"106213","T546":"92005","Biorec001":"171484","Biorec002":"130100","Biorec003":"113892","Biorec004":"100140","Biorec005":"251076","Biorec006":"276836","Biorec007":"186040","MtdBlank001":"295810","MtdBlank002":"222416","MtdBlank003":"56996","MtdBlank004":"121214","MtdBlank005":"366391","MtdBlank006":"281742","MtdBlank007":"185346"},{"Metabolite":"(2R)-3-Hydroxyisovaleroylcarnitine","M438":"91733","M440":"125255","M447":"111428","M485":"58171","M487":"36492","M492":"62637","M499":"55128","M503":"38397","T515":"115303","T518":"78849","T520":"98161","T522":"44565","T524":"56181","T544":"93961","T545":"59558","T547":"122698","M500":"54794","M439":"48272","M441":"60800","M504":"66252","M483":"147125","M486":"151096","M540":"176972","M498":"40316","T519":"71256","T521":"98548","T523":"66131","T525":"51798","T527":"67112","T540":"120018","T542":"66927","T546":"72880","Biorec001":"4064","Biorec002":"3618","Biorec003":"2673","Biorec004":"2044","Biorec005":"4777","Biorec006":"5182","Biorec007":"2721","MtdBlank001":"454","MtdBlank002":"461","MtdBlank003":"438","MtdBlank004":"414","MtdBlank005":"391","MtdBlank006":"436","MtdBlank007":"435"},{"Metabolite":"(3-Carboxypropyl)trimethylammonium","M438":"233084","M440":"298498","M447":"283566","M485":"158040","M487":"167635","M492":"149586","M499":"134645","M503":"129792","T515":"313468","T518":"183250","T520":"301700","T522":"152408","T524":"155145","T544":"317030","T545":"219502","T547":"355772","M500":"213599","M439":"211399","M441":"240216","M504":"268311","M483":"413890","M486":"478744","M540":"354003","M498":"158487","T519":"210809","T521":"239782","T523":"138736","T525":"110795","T527":"130341","T540":"244686","T542":"209429","T546":"201779","Biorec001":"25744","Biorec002":"25903","Biorec003":"19667","Biorec004":"12383","Biorec005":"20340","Biorec006":"23438","Biorec007":"16759","MtdBlank001":"130","MtdBlank002":"102","MtdBlank003":"120","MtdBlank004":"90","MtdBlank005":"137","MtdBlank006":"129","MtdBlank007":"111"},{"Metabolite":"(R)-Butyrylcarnitine","M438":"3689831","M440":"4186769","M447":"2348963","M485":"1160586","M487":"1322466","M492":"1214072","M499":"2002689","M503":"726384","T515":"6173185","T518":"1923332","T520":"3824048","T522":"1405206","T524":"2564227","T544":"2767126","T545":"4263546","T547":"5790007","M500":"1889619","M439":"1146296","M441":"1580596","M504":"1401836","M483":"3084566","M486":"3660776","M540":"1502655","M498":"750180","T519":"1100992","T521":"2044286","T523":"1230648","T525":"1018235","T527":"591050","T540":"1380961","T542":"922141","T546":"1058186","Biorec001":"50458","Biorec002":"40003","Biorec003":"32396","Biorec004":"17580","Biorec005":"49723","Biorec006":"51647","Biorec007":"29252","MtdBlank001":"736","MtdBlank002":"579","MtdBlank003":"630","MtdBlank004":"660","MtdBlank005":"730","MtdBlank006":"893","MtdBlank007":"798"},{"Metabolite":"1,3-Dicyclohexylurea","M438":"16164","M440":"18012","M447":"13455","M485":"39256","M487":"32848","M492":"41124","M499":"47256","M503":"38090","T515":"25761","T518":"88958","T520":"44672","T522":"92475","T524":"95894","T544":"22024","T545":"50835","T547":"39454","M500":"45997","M439":"31110","M441":"34687","M504":"74501","M483":"16793","M486":"9970","M540":"13601","M498":"74109","T519":"85722","T521":"43515","T523":"59461","T525":"85023","T527":"77566","T540":"20254","T542":"31297","T546":"31441","Biorec001":"15193","Biorec002":"21002","Biorec003":"28675","Biorec004":"14987","Biorec005":"4882","Biorec006":"6982","Biorec007":"18080","MtdBlank001":"5515","MtdBlank002":"7110","MtdBlank003":"28079","MtdBlank004":"29134","MtdBlank005":"4238","MtdBlank006":"17145","MtdBlank007":"18732"},{"Metabolite":"1-Methyladenosine","M438":"12656","M440":"13927","M447":"13426","M485":"5875","M487":"5491","M492":"9082","M499":"5950","M503":"3593","T515":"27251","T518":"9346","T520":"13028","T522":"2514","T524":"6570","T544":"20406","T545":"6674","T547":"19366","M500":"8162","M439":"3154","M441":"5249","M504":"8809","M483":"22079","M486":"29197","M540":"19478","M498":"3722","T519":"7652","T521":"15740","T523":"8266","T525":"4535","T527":"9056","T540":"18832","T542":"6332","T546":"5533","Biorec001":"4926","Biorec002":"4316","Biorec003":"2418","Biorec004":"1991","Biorec005":"7164","Biorec006":"6629","Biorec007":"3109","MtdBlank001":"30","MtdBlank002":"30","MtdBlank003":"22","MtdBlank004":"28","MtdBlank005":"26","MtdBlank006":"23","MtdBlank007":"22"},{"Metabolite":"1-Methylhistamine","M438":"21877","M440":"20590","M447":"18158","M485":"10940","M487":"11459","M492":"12365","M499":"12957","M503":"9383","T515":"47179","T518":"17773","T520":"20736","T522":"8185","T524":"19780","T544":"21336","T545":"16016","T547":"40186","M500":"11545","M439":"7634","M441":"10158","M504":"11523","M483":"27317","M486":"30004","M540":"23358","M498":"7560","T519":"11598","T521":"19948","T523":"14317","T525":"7359","T527":"10918","T540":"15787","T542":"11260","T546":"14819","Biorec001":"219","Biorec002":"249","Biorec003":"194","Biorec004":"188","Biorec005":"222","Biorec006":"276","Biorec007":"225","MtdBlank001":"205","MtdBlank002":"190","MtdBlank003":"177","MtdBlank004":"180","MtdBlank005":"156","MtdBlank006":"189","MtdBlank007":"170"},{"Metabolite":"1-Methyl-L-histidine","M438":"8076","M440":"2123","M447":"7414","M485":"3118","M487":"3908","M492":"3380","M499":"2824","M503":"1882","T515":"12719","T518":"3348","T520":"1756","T522":"1097","T524":"2922","T544":"8831","T545":"3881","T547":"7680","M500":"2125","M439":"2862","M441":"2762","M504":"3492","M483":"1759","M486":"9121","M540":"1706","M498":"1865","T519":"3506","T521":"7102","T523":"4991","T525":"3281","T527":"3781","T540":"7901","T542":"48017","T546":"3624","Biorec001":"8935","Biorec002":"5668","Biorec003":"4278","Biorec004":"2527","Biorec005":"7825","Biorec006":"3049","Biorec007":"3991","MtdBlank001":"1945","MtdBlank002":"1939","MtdBlank003":"1606","MtdBlank004":"1284","MtdBlank005":"2189","MtdBlank006":"2427","MtdBlank007":"1575"},{"Metabolite":"1-Methylnicotinamide","M438":"51292","M440":"37297","M447":"48164","M485":"23984","M487":"32705","M492":"43174","M499":"30272","M503":"13731","T515":"58018","T518":"35067","T520":"39945","T522":"12151","T524":"24457","T544":"79688","T545":"34676","T547":"88802","M500":"41305","M439":"19386","M441":"13883","M504":"42680","M483":"64674","M486":"111688","M540":"49629","M498":"20444","T519":"46228","T521":"53432","T523":"56138","T525":"32908","T527":"58241","T540":"75999","T542":"55879","T546":"25105","Biorec001":"35132","Biorec002":"28547","Biorec003":"23794","Biorec004":"15423","Biorec005":"34357","Biorec006":"36719","Biorec007":"20137","MtdBlank001":"900","MtdBlank002":"805","MtdBlank003":"673","MtdBlank004":"690","MtdBlank005":"969","MtdBlank006":"965","MtdBlank007":"717"},{"Metabolite":"1-Monostearin","M438":"3424","M440":"2935","M447":"4744","M485":"6298","M487":"6010","M492":"4319","M499":"15784","M503":"19319","T515":"6126","T518":"10429","T520":"4501","T522":"5542","T524":"6750","T544":"3309","T545":"2792","T547":"4062","M500":"25024","M439":"3301","M441":"5112","M504":"11148","M483":"2785","M486":"3989","M540":"11533","M498":"8035","T519":"4907","T521":"4577","T523":"8508","T525":"9767","T527":"5953","T540":"3983","T542":"4264","T546":"7887","Biorec001":"1738","Biorec002":"1977","Biorec003":"2866","Biorec004":"2770","Biorec005":"1509","Biorec006":"1957","Biorec007":"2270","MtdBlank001":"1268","MtdBlank002":"1433","MtdBlank003":"1964","MtdBlank004":"1399","MtdBlank005":"1310","MtdBlank006":"1731","MtdBlank007":"1396"},{"Metabolite":"2,2'',2''''-Nitrilotriethanol","M438":"4908","M440":"10740","M447":"3862","M485":"2280","M487":"3644","M492":"1509","M499":"2959","M503":"4946","T515":"1425","T518":"1413","T520":"4805","T522":"1782","T524":"5495","T544":"5622","T545":"4278","T547":"6465","M500":"2049","M439":"3358","M441":"3575","M504":"1902","M483":"5019","M486":"882","M540":"3567","M498":"1077","T519":"3098","T521":"33120","T523":"4884","T525":"13821","T527":"12168","T540":"26240","T542":"21722","T546":"15970","Biorec001":"15093","Biorec002":"9048","Biorec003":"23347","Biorec004":"20810","Biorec005":"15120","Biorec006":"37223","Biorec007":"47921","MtdBlank001":"45554","MtdBlank002":"5056","MtdBlank003":"11551","MtdBlank004":"4547","MtdBlank005":"7869","MtdBlank006":"18265","MtdBlank007":"14068"},{"Metabolite":"2,2-Bis[hydroxymethyl]-2,2'',2''''-nitrilotriethanol","M438":"709","M440":"657","M447":"748","M485":"7148","M487":"771","M492":"834","M499":"705","M503":"652","T515":"609","T518":"682","T520":"664","T522":"626","T524":"754","T544":"1863","T545":"749","T547":"666","M500":"717","M439":"641","M441":"660","M504":"706","M483":"752","M486":"755","M540":"640","M498":"606","T519":"708","T521":"692","T523":"657","T525":"709","T527":"590","T540":"752","T542":"791","T546":"872","Biorec001":"636","Biorec002":"645","Biorec003":"662","Biorec004":"727","Biorec005":"646","Biorec006":"713","Biorec007":"680","MtdBlank001":"900","MtdBlank002":"540","MtdBlank003":"562","MtdBlank004":"472","MtdBlank005":"494","MtdBlank006":"906","MtdBlank007":"566"},{"Metabolite":"2''-Deoxycytidine","M438":"10667","M440":"11176","M447":"14136","M485":"5793","M487":"7195","M492":"8228","M499":"6329","M503":"3126","T515":"19391","T518":"5919","T520":"10781","T522":"2797","T524":"6813","T544":"14074","T545":"6676","T547":"16958","M500":"8563","M439":"3519","M441":"5430","M504":"7861","M483":"18027","M486":"25461","M540":"17425","M498":"3807","T519":"3797","T521":"8697","T523":"4800","T525":"3390","T527":"4543","T540":"12346","T542":"4087","T546":"3542","Biorec001":"89","Biorec002":"77","Biorec003":"75","Biorec004":"61","Biorec005":"68","Biorec006":"80","Biorec007":"70","MtdBlank001":"77","MtdBlank002":"63","MtdBlank003":"64","MtdBlank004":"74","MtdBlank005":"72","MtdBlank006":"80","MtdBlank007":"74"},{"Metabolite":"2-Methylbutyryl-L-carnitine","M438":"339894","M440":"254564","M447":"202149","M485":"67140","M487":"79019","M492":"102732","M499":"273198","M503":"62994","T515":"408996","T518":"218916","T520":"214986","T522":"92468","T524":"165871","T544":"225574","T545":"225393","T547":"335690","M500":"259806","M439":"122195","M441":"176492","M504":"129908","M483":"297243","M486":"422977","M540":"152006","M498":"76209","T519":"83694","T521":"205916","T523":"78132","T525":"78186","T527":"73735","T540":"113079","T542":"97890","T546":"142803","Biorec001":"31804","Biorec002":"25170","Biorec003":"22869","Biorec004":"13275","Biorec005":"28568","Biorec006":"31814","Biorec007":"21410","MtdBlank001":"584","MtdBlank002":"447","MtdBlank003":"366","MtdBlank004":"345","MtdBlank005":"424","MtdBlank006":"460","MtdBlank007":"454"},{"Metabolite":"2''-O-Methylcytidine","M438":"883","M440":"903","M447":"1294","M485":"794","M487":"1447","M492":"1164","M499":"1160","M503":"749","T515":"2022","T518":"984","T520":"1374","T522":"377","T524":"925","T544":"2922","T545":"796","T547":"1994","M500":"1520","M439":"565","M441":"836","M504":"1987","M483":"1843","M486":"4385","M540":"1539","M498":"978","T519":"1482","T521":"1709","T523":"878","T525":"724","T527":"1057","T540":"1559","T542":"1796","T546":"1050","Biorec001":"626","Biorec002":"483","Biorec003":"413","Biorec004":"292","Biorec005":"619","Biorec006":"544","Biorec007":"370","MtdBlank001":"90","MtdBlank002":"97","MtdBlank003":"87","MtdBlank004":"77","MtdBlank005":"83","MtdBlank006":"95","MtdBlank007":"91"},{"Metabolite":"2-Palmitoylglycerol","M438":"1142","M440":"978","M447":"1368","M485":"1640","M487":"1318","M492":"1532","M499":"3066","M503":"2410","T515":"1615","T518":"2465","T520":"1333","T522":"2015","T524":"2343","T544":"1136","T545":"1159","T547":"1173","M500":"4247","M439":"1192","M441":"1565","M504":"2846","M483":"815","M486":"1258","M540":"1496","M498":"1919","T519":"2010","T521":"1652","T523":"1851","T525":"2841","T527":"2544","T540":"1237","T542":"1262","T546":"2258","Biorec001":"20806","Biorec002":"18590","Biorec003":"18895","Biorec004":"15212","Biorec005":"15924","Biorec006":"12616","Biorec007":"12483","MtdBlank001":"545","MtdBlank002":"516","MtdBlank003":"634","MtdBlank004":"488","MtdBlank005":"491","MtdBlank006":"513","MtdBlank007":"486"},{"Metabolite":"3-alpha.-Galactobiose","M438":"856","M440":"940","M447":"3532","M485":"3388","M487":"158","M492":"3931","M499":"5220","M503":"2246","T515":"537","T518":"3603","T520":"3758","T522":"1246","T524":"2137","T544":"1282","T545":"3235","T547":"3169","M500":"17101","M439":"9588","M441":"1950","M504":"5097","M483":"3910","M486":"1647","M540":"3070","M498":"4036","T519":"2928","T521":"2293","T523":"484","T525":"3562","T527":"7636","T540":"1090","T542":"279","T546":"2867","Biorec001":"241","Biorec002":"150","Biorec003":"105","Biorec004":"150","Biorec005":"71","Biorec006":"72","Biorec007":"147","MtdBlank001":"354","MtdBlank002":"187","MtdBlank003":"274","MtdBlank004":"405","MtdBlank005":"217","MtdBlank006":"199","MtdBlank007":"506"},{"Metabolite":"3-Hydroxybutyrylcarnitine","M438":"863188","M440":"1841731","M447":"501264","M485":"626238","M487":"551849","M492":"256618","M499":"448213","M503":"114206","T515":"2625167","T518":"292985","T520":"1214234","T522":"411676","T524":"659483","T544":"1179185","T545":"1674806","T547":"2431570","M500":"645146","M439":"509638","M441":"555349","M504":"503197","M483":"922659","M486":"1424144","M540":"930734","M498":"258366","T519":"426019","T521":"759474","T523":"439763","T525":"335356","T527":"245751","T540":"854657","T542":"482891","T546":"448735","Biorec001":"2407","Biorec002":"1902","Biorec003":"1551","Biorec004":"872","Biorec005":"2288","Biorec006":"2547","Biorec007":"1429","MtdBlank001":"148","MtdBlank002":"145","MtdBlank003":"151","MtdBlank004":"128","MtdBlank005":"192","MtdBlank006":"244","MtdBlank007":"169"},{"Metabolite":"3-Hydroxyhexadecanoylcarnitine","M438":"129850","M440":"149586","M447":"49571","M485":"122212","M487":"101150","M492":"100138","M499":"502729","M503":"41522","T515":"117421","T518":"190591","T520":"156193","T522":"609812","T524":"662222","T544":"93180","T545":"303281","T547":"226698","M500":"328748","M439":"62752","M441":"143618","M504":"58878","M483":"44080","M486":"44481","M540":"22051","M498":"82268","T519":"106292","T521":"176942","T523":"227285","T525":"292830","T527":"155720","T540":"84880","T542":"239195","T546":"236919","Biorec001":"262","Biorec002":"272","Biorec003":"389","Biorec004":"430","Biorec005":"127","Biorec006":"221","Biorec007":"343","MtdBlank001":"102","MtdBlank002":"74","MtdBlank003":"74","MtdBlank004":"74","MtdBlank005":"92","MtdBlank006":"100","MtdBlank007":"103"},{"Metabolite":"3-Hydroxyoleylcarnitine","M438":"182429","M440":"121031","M447":"32907","M485":"169343","M487":"103560","M492":"111587","M499":"863394","M503":"67195","T515":"55934","T518":"277942","T520":"164516","T522":"795142","T524":"663309","T544":"36658","T545":"303316","T547":"180914","M500":"369268","M439":"58766","M441":"168212","M504":"87571","M483":"17311","M486":"15075","M540":"9116","M498":"132122","T519":"109366","T521":"128886","T523":"176265","T525":"263551","T527":"156873","T540":"55358","T542":"95505","T546":"209229","Biorec001":"93","Biorec002":"185","Biorec003":"249","Biorec004":"327","Biorec005":"57","Biorec006":"76","Biorec007":"259","MtdBlank001":"50","MtdBlank002":"59","MtdBlank003":"51","MtdBlank004":"50","MtdBlank005":"50","MtdBlank006":"51","MtdBlank007":"79"},{"Metabolite":"3-Methylglutarylcarnitine","M438":"5263","M440":"4210","M447":"9467","M485":"430","M487":"3072","M492":"2809","M499":"544","M503":"361","T515":"1166","T518":"676","T520":"527","T522":"426","T524":"1529","T544":"6784","T545":"7514","T547":"14782","M500":"663","M439":"418","M441":"495","M504":"992","M483":"1260","M486":"718","M540":"597","M498":"5261","T519":"668","T521":"1881","T523":"1032","T525":"514","T527":"989","T540":"14605","T542":"4535","T546":"12632","Biorec001":"10305","Biorec002":"8688","Biorec003":"7025","Biorec004":"4187","Biorec005":"9941","Biorec006":"10463","Biorec007":"6206","MtdBlank001":"345","MtdBlank002":"342","MtdBlank003":"321","MtdBlank004":"253","MtdBlank005":"309","MtdBlank006":"295","MtdBlank007":"314"},{"Metabolite":"3-Methyl-histidine","M438":"9533","M440":"9493","M447":"6783","M485":"3265","M487":"4336","M492":"4318","M499":"2892","M503":"2492","T515":"11734","T518":"3818","T520":"5181","T522":"2638","T524":"3564","T544":"9514","T545":"5086","T547":"8782","M500":"2396","M439":"3980","M441":"4041","M504":"3104","M483":"7652","M486":"11290","M540":"6876","M498":"2436","T519":"4304","T521":"5806","T523":"6096","T525":"3596","T527":"4149","T540":"11763","T542":"7490","T546":"5522","Biorec001":"79646","Biorec002":"63413","Biorec003":"41065","Biorec004":"23565","Biorec005":"81025","Biorec006":"85298","Biorec007":"39251","MtdBlank001":"5789","MtdBlank002":"6891","MtdBlank003":"4025","MtdBlank004":"2303","MtdBlank005":"6062","MtdBlank006":"7608","MtdBlank007":"4047"},{"Metabolite":"4-Guanidinobutyric acid","M438":"2702","M440":"3546","M447":"3218","M485":"1214","M487":"2063","M492":"1315","M499":"1590","M503":"1427","T515":"4049","T518":"1086","T520":"5555","T522":"748","T524":"1360","T544":"3358","T545":"2587","T547":"7642","M500":"1472","M439":"1013","M441":"858","M504":"1298","M483":"3608","M486":"2505","M540":"1432","M498":"472","T519":"2568","T521":"2949","T523":"1700","T525":"1341","T527":"2603","T540":"5890","T542":"2834","T546":"1700","Biorec001":"3644","Biorec002":"3295","Biorec003":"2345","Biorec004":"1336","Biorec005":"4168","Biorec006":"4892","Biorec007":"2066","MtdBlank001":"507","MtdBlank002":"575","MtdBlank003":"232","MtdBlank004":"301","MtdBlank005":"527","MtdBlank006":"483","MtdBlank007":"390"},{"Metabolite":"4H-3,1-Benzoxazin-4-one, 6-methyl-2-[(4-methylphenyl)amino]-","M438":"3102","M440":"2701","M447":"4771","M485":"3743","M487":"5632","M492":"5416","M499":"5494","M503":"4429","T515":"4709","T518":"7058","T520":"2791","T522":"2943","T524":"6134","T544":"7633","T545":"5453","T547":"3924","M500":"10052","M439":"2472","M441":"4351","M504":"12689","M483":"4858","M486":"4754","M540":"3244","M498":"8206","T519":"7518","T521":"3790","T523":"2707","T525":"4573","T527":"3458","T540":"22073","T542":"8343","T546":"13262","Biorec001":"10378","Biorec002":"10400","Biorec003":"12078","Biorec004":"11071","Biorec005":"7380","Biorec006":"9049","Biorec007":"10471","MtdBlank001":"498","MtdBlank002":"404","MtdBlank003":"501","MtdBlank004":"557","MtdBlank005":"477","MtdBlank006":"552","MtdBlank007":"544"},{"Metabolite":"4-Methyl-5-thiazoleethanol","M438":"1835","M440":"2482","M447":"2360","M485":"965","M487":"922","M492":"1181","M499":"1463","M503":"871","T515":"4328","T518":"1556","T520":"1845","T522":"678","T524":"1236","T544":"2103","T545":"1307","T547":"2814","M500":"1345","M439":"692","M441":"1260","M504":"1780","M483":"3460","M486":"3144","M540":"1651","M498":"813","T519":"1609","T521":"1620","T523":"1492","T525":"906","T527":"1435","T540":"2172","T542":"1092","T546":"1115","Biorec001":"15","Biorec002":"25","Biorec003":"26","Biorec004":"23","Biorec005":"17","Biorec006":"24","Biorec007":"34","MtdBlank001":"16","MtdBlank002":"12","MtdBlank003":"12","MtdBlank004":"9","MtdBlank005":"14","MtdBlank006":"25","MtdBlank007":"14"},{"Metabolite":"5.alpha.-Cholest-7-en-3.beta.-ol","M438":"32237","M440":"42817","M447":"156919","M485":"82839","M487":"59284","M492":"126394","M499":"197211","M503":"228102","T515":"173748","T518":"114735","T520":"41541","T522":"174806","T524":"118732","T544":"406715","T545":"38990","T547":"93498","M500":"173820","M439":"49138","M441":"106599","M504":"200557","M483":"265364","M486":"204702","M540":"265035","M498":"165826","T519":"148000","T521":"112053","T523":"55197","T525":"79034","T527":"117154","T540":"119668","T542":"231003","T546":"182733","Biorec001":"23019","Biorec002":"75995","Biorec003":"164505","Biorec004":"397034","Biorec005":"115729","Biorec006":"16028","Biorec007":"149116","MtdBlank001":"490","MtdBlank002":"489","MtdBlank003":"702","MtdBlank004":"688","MtdBlank005":"19023","MtdBlank006":"601","MtdBlank007":"1311"},{"Metabolite":"5''-S-Methyl-5''-thioadenosine","M438":"107063","M440":"119314","M447":"90208","M485":"78272","M487":"73904","M492":"63612","M499":"88824","M503":"49604","T515":"84145","T518":"95895","T520":"102512","T522":"64654","T524":"74906","T544":"60897","T545":"74178","T547":"114062","M500":"77288","M439":"37392","M441":"88627","M504":"68560","M483":"96881","M486":"13253","M540":"44098","M498":"63911","T519":"90588","T521":"67616","T523":"83299","T525":"68649","T527":"90187","T540":"88807","T542":"41340","T546":"63656","Biorec001":"333","Biorec002":"380","Biorec003":"356","Biorec004":"307","Biorec005":"31","Biorec006":"521","Biorec007":"264","MtdBlank001":"125","MtdBlank002":"135","MtdBlank003":"132","MtdBlank004":"98","MtdBlank005":"53","MtdBlank006":"218","MtdBlank007":"174"},{"Metabolite":"7-Methyladenine","M438":"1114","M440":"1867","M447":"1549","M485":"1195","M487":"1027","M492":"1444","M499":"1009","M503":"2518","T515":"11824","T518":"998","T520":"1242","T522":"618","T524":"1594","T544":"2582","T545":"5376","T547":"4276","M500":"2848","M439":"823","M441":"1226","M504":"1049","M483":"2670","M486":"2109","M540":"2296","M498":"891","T519":"1563","T521":"1693","T523":"1752","T525":"1193","T527":"1882","T540":"2021","T542":"1642","T546":"1317","Biorec001":"718","Biorec002":"604","Biorec003":"689","Biorec004":"577","Biorec005":"703","Biorec006":"760","Biorec007":"556","MtdBlank001":"493","MtdBlank002":"478","MtdBlank003":"407","MtdBlank004":"430","MtdBlank005":"373","MtdBlank006":"467","MtdBlank007":"438"},{"Metabolite":"7-Methylguanine","M438":"3672","M440":"3954","M447":"5116","M485":"2390","M487":"2671","M492":"3763","M499":"2147","M503":"2019","T515":"9499","T518":"3172","T520":"4042","T522":"1010","T524":"2374","T544":"7633","T545":"4017","T547":"7813","M500":"3668","M439":"1448","M441":"1833","M504":"3982","M483":"7571","M486":"8930","M540":"5136","M498":"1996","T519":"2692","T521":"4177","T523":"2950","T525":"2021","T527":"3176","T540":"7124","T542":"2861","T546":"1808","Biorec001":"5280","Biorec002":"4259","Biorec003":"1921","Biorec004":"1314","Biorec005":"6802","Biorec006":"6192","Biorec007":"1971","MtdBlank001":"86","MtdBlank002":"82","MtdBlank003":"108","MtdBlank004":"88","MtdBlank005":"95","MtdBlank006":"109","MtdBlank007":"108"},{"Metabolite":"8-Oxo-2-deoxyadenosine","M438":"28155","M440":"13230","M447":"782","M485":"2384","M487":"2218","M492":"946","M499":"1905","M503":"488","T515":"14888","T518":"3154","T520":"21216","T522":"518","T524":"1953","T544":"961","T545":"27074","T547":"4097","M500":"1853","M439":"3128","M441":"3248","M504":"2633","M483":"21848","M486":"6594","M540":"9178","M498":"886","T519":"464","T521":"3839","T523":"1921","T525":"1791","T527":"1309","T540":"942","T542":"814","T546":"810","Biorec001":"100","Biorec002":"54","Biorec003":"117","Biorec004":"84","Biorec005":"87","Biorec006":"155","Biorec007":"28","MtdBlank001":"109","MtdBlank002":"96","MtdBlank003":"81","MtdBlank004":"77","MtdBlank005":"74","MtdBlank006":"80","MtdBlank007":"81"},{"Metabolite":"Acetyl coenzyme A","M438":"15524","M440":"16702","M447":"5887","M485":"1664","M487":"3542","M492":"1306","M499":"1596","M503":"984","T515":"18206","T518":"1585","T520":"13979","T522":"597","T524":"1722","T544":"6393","T545":"6105","T547":"13810","M500":"963","M439":"705","M441":"4101","M504":"1301","M483":"12409","M486":"15154","M540":"13421","M498":"862","T519":"1785","T521":"7205","T523":"2840","T525":"955","T527":"713","T540":"6926","T542":"892","T546":"1750","Biorec001":"197","Biorec002":"1242","Biorec003":"968","Biorec004":"855","Biorec005":"1943","Biorec006":"3082","Biorec007":"978","MtdBlank001":"83","MtdBlank002":"303","MtdBlank003":"264","MtdBlank004":"270","MtdBlank005":"446","MtdBlank006":"665","MtdBlank007":"302"},{"Metabolite":"Acetylcarnitine","M438":"18441958","M440":"20619288","M447":"15668620","M485":"10225742","M487":"8561863","M492":"8828541","M499":"10394812","M503":"6199694","T515":"23497066","T518":"10985114","T520":"19794252","T522":"6718342","T524":"11928487","T544":"14914132","T545":"16664237","T547":"21623606","M500":"13408646","M439":"11461200","M441":"12276761","M504":"12465915","M483":"20116764","M486":"19558724","M540":"14680617","M498":"7338549","T519":"10183870","T521":"16982536","T523":"11087157","T525":"8026897","T527":"8936300","T540":"14717656","T542":"9365536","T546":"9194236","Biorec001":"969566","Biorec002":"855229","Biorec003":"631133","Biorec004":"345151","Biorec005":"943809","Biorec006":"957530","Biorec007":"552374","MtdBlank001":"3119","MtdBlank002":"1542","MtdBlank003":"2814","MtdBlank004":"2706","MtdBlank005":"2902","MtdBlank006":"5098","MtdBlank007":"3286"},{"Metabolite":"Acetylcholine","M438":"25385","M440":"30206","M447":"18944","M485":"16437","M487":"8380","M492":"18259","M499":"14806","M503":"4601","T515":"23380","T518":"9241","T520":"26934","T522":"7248","T524":"16542","T544":"14617","T545":"33198","T547":"54856","M500":"21753","M439":"7682","M441":"12113","M504":"16339","M483":"28286","M486":"31802","M540":"28259","M498":"7460","T519":"16743","T521":"17630","T523":"19606","T525":"11090","T527":"12384","T540":"27810","T542":"11872","T546":"13767","Biorec001":"128","Biorec002":"66","Biorec003":"54","Biorec004":"32","Biorec005":"49","Biorec006":"68","Biorec007":"48","MtdBlank001":"289","MtdBlank002":"264","MtdBlank003":"289","MtdBlank004":"324","MtdBlank005":"264","MtdBlank006":"230","MtdBlank007":"249"},{"Metabolite":"Adenine","M438":"337510","M440":"215671","M447":"78387","M485":"180018","M487":"132540","M492":"171275","M499":"218604","M503":"98830","T515":"171097","T518":"216271","T520":"216640","T522":"112889","T524":"204906","T544":"55456","T545":"269565","T547":"309740","M500":"284799","M439":"253464","M441":"241521","M504":"310060","M483":"208452","M486":"259688","M540":"173864","M498":"153258","T519":"147492","T521":"164791","T523":"124684","T525":"101674","T527":"99544","T540":"117338","T542":"40682","T546":"90622","Biorec001":"1776","Biorec002":"2755","Biorec003":"2741","Biorec004":"2871","Biorec005":"2560","Biorec006":"3145","Biorec007":"3045","MtdBlank001":"1266","MtdBlank002":"2174","MtdBlank003":"2658","MtdBlank004":"3185","MtdBlank005":"1758","MtdBlank006":"2044","MtdBlank007":"1986"},{"Metabolite":"Adenosine","M438":"1325054","M440":"879739","M447":"309907","M485":"751571","M487":"716426","M492":"468923","M499":"774264","M503":"349378","T515":"951316","T518":"329809","T520":"1229648","T522":"278202","T524":"741957","T544":"341766","T545":"1377127","T547":"967377","M500":"905545","M439":"711602","M441":"945753","M504":"927687","M483":"1249346","M486":"1424648","M540":"1731212","M498":"469052","T519":"431549","T521":"1309586","T523":"776782","T525":"852744","T527":"762596","T540":"576716","T542":"392569","T546":"624241","Biorec001":"1107","Biorec002":"966","Biorec003":"1116","Biorec004":"920","Biorec005":"154","Biorec006":"1208","Biorec007":"811","MtdBlank001":"1758","MtdBlank002":"1031","MtdBlank003":"1208","MtdBlank004":"1151","MtdBlank005":"684","MtdBlank006":"1856","MtdBlank007":"1072"},{"Metabolite":"Adenosine 5''-diphosphate","M438":"59619","M440":"60973","M447":"25168","M485":"5528","M487":"20781","M492":"3514","M499":"4396","M503":"3510","T515":"58689","T518":"4529","T520":"36626","T522":"2094","T524":"5833","T544":"33409","T545":"16928","T547":"27134","M500":"4011","M439":"3069","M441":"12310","M504":"3386","M483":"24664","M486":"55144","M540":"38100","M498":"2747","T519":"3674","T521":"17297","T523":"13102","T525":"3504","T527":"2450","T540":"19225","T542":"6150","T546":"4498","Biorec001":"3824","Biorec002":"11626","Biorec003":"6362","Biorec004":"3049","Biorec005":"10309","Biorec006":"17909","Biorec007":"7270","MtdBlank001":"1825","MtdBlank002":"4759","MtdBlank003":"2657","MtdBlank004":"1639","MtdBlank005":"4195","MtdBlank006":"6004","MtdBlank007":"3480"},{"Metabolite":"Adenosine 5''-diphosphoribose","M438":"2478","M440":"1583","M447":"980","M485":"640","M487":"1003","M492":"775","M499":"597","M503":"400","T515":"1937","T518":"678","T520":"1592","T522":"261","T524":"550","T544":"1172","T545":"985","T547":"1550","M500":"276","M439":"309","M441":"1441","M504":"668","M483":"1293","M486":"2340","M540":"2441","M498":"350","T519":"4305","T521":"6843","T523":"2502","T525":"1368","T527":"1756","T540":"4018","T542":"2570","T546":"2785","Biorec001":"231","Biorec002":"106","Biorec003":"150","Biorec004":"799","Biorec005":"134","Biorec006":"314","Biorec007":"162","MtdBlank001":"129","MtdBlank002":"72","MtdBlank003":"42","MtdBlank004":"142","MtdBlank005":"67","MtdBlank006":"85","MtdBlank007":"74"},{"Metabolite":"Adenosine 5''-monophosphate","M438":"11991","M440":"10290","M447":"5879","M485":"17610","M487":"12731","M492":"8542","M499":"18349","M503":"10076","T515":"10111","T518":"6245","T520":"15086","T522":"4262","T524":"16876","T544":"9691","T545":"18625","T547":"11343","M500":"4372","M439":"15006","M441":"12865","M504":"12798","M483":"8761","M486":"10495","M540":"4426","M498":"5252","T519":"8818","T521":"16932","T523":"11586","T525":"20898","T527":"15784","T540":"7989","T542":"8490","T546":"12350","Biorec001":"380","Biorec002":"553","Biorec003":"944","Biorec004":"1022","Biorec005":"334","Biorec006":"513","Biorec007":"1056","MtdBlank001":"831","MtdBlank002":"1349","MtdBlank003":"1513","MtdBlank004":"1922","MtdBlank005":"1025","MtdBlank006":"1230","MtdBlank007":"1737"},{"Metabolite":"Adenosine-3-monophosphate","M438":"514266","M440":"207762","M447":"43650","M485":"87360","M487":"90924","M492":"28573","M499":"97878","M503":"32438","T515":"347218","T518":"24520","T520":"365013","T522":"17632","T524":"78191","T544":"102110","T545":"295738","T547":"122098","M500":"7321","M439":"53826","M441":"53859","M504":"44488","M483":"96751","M486":"148141","M540":"44507","M498":"10889","T519":"24596","T521":"135675","T523":"53322","T525":"70877","T527":"61691","T540":"63568","T542":"46154","T546":"61003","Biorec001":"1923","Biorec002":"2768","Biorec003":"3073","Biorec004":"2243","Biorec005":"3278","Biorec006":"4439","Biorec007":"3842","MtdBlank001":"1686","MtdBlank002":"2670","MtdBlank003":"2010","MtdBlank004":"2060","MtdBlank005":"2113","MtdBlank006":"2915","MtdBlank007":"2435"},{"Metabolite":"Adenylosuccinic acid","M438":"64434","M440":"73376","M447":"47564","M485":"7911","M487":"18764","M492":"4184","M499":"6009","M503":"3171","T515":"55047","T518":"6197","T520":"51156","T522":"3764","T524":"6585","T544":"46116","T545":"17982","T547":"32788","M500":"2841","M439":"3446","M441":"10202","M504":"2226","M483":"16119","M486":"54744","M540":"60877","M498":"4618","T519":"4037","T521":"14683","T523":"14640","T525":"3144","T527":"3679","T540":"18765","T542":"4432","T546":"6502","Biorec001":"1427","Biorec002":"3746","Biorec003":"2845","Biorec004":"1488","Biorec005":"2887","Biorec006":"5246","Biorec007":"2296","MtdBlank001":"432","MtdBlank002":"1031","MtdBlank003":"877","MtdBlank004":"567","MtdBlank005":"930","MtdBlank006":"1510","MtdBlank007":"827"},{"Metabolite":"Ala-Ala","M438":"2021","M440":"2543","M447":"1105","M485":"605","M487":"542","M492":"540","M499":"382","M503":"405","T515":"7001","T518":"604","T520":"1065","T522":"330","T524":"502","T544":"1892","T545":"1136","T547":"2130","M500":"338","M439":"343","M441":"612","M504":"446","M483":"1894","M486":"2781","M540":"2443","M498":"206","T519":"431","T521":"1073","T523":"542","T525":"266","T527":"640","T540":"1555","T542":"460","T546":"377","Biorec001":"781","Biorec002":"724","Biorec003":"535","Biorec004":"278","Biorec005":"970","Biorec006":"1328","Biorec007":"505","MtdBlank001":"280","MtdBlank002":"277","MtdBlank003":"179","MtdBlank004":"200","MtdBlank005":"310","MtdBlank006":"315","MtdBlank007":"225"},{"Metabolite":"Ala-Gln","M438":"4478","M440":"3530","M447":"3367","M485":"1998","M487":"1518","M492":"1896","M499":"1585","M503":"1181","T515":"4188","T518":"2043","T520":"2965","T522":"1714","T524":"1594","T544":"3095","T545":"1730","T547":"3568","M500":"898","M439":"1428","M441":"1557","M504":"1601","M483":"3030","M486":"5373","M540":"5295","M498":"996","T519":"1864","T521":"2911","T523":"1791","T525":"1106","T527":"1831","T540":"2649","T542":"1447","T546":"1593","Biorec001":"866","Biorec002":"867","Biorec003":"810","Biorec004":"734","Biorec005":"933","Biorec006":"910","Biorec007":"804","MtdBlank001":"757","MtdBlank002":"819","MtdBlank003":"792","MtdBlank004":"794","MtdBlank005":"797","MtdBlank006":"741","MtdBlank007":"706"},{"Metabolite":"Ala-Thr","M438":"3183","M440":"3011","M447":"2182","M485":"1140","M487":"1048","M492":"1133","M499":"1023","M503":"755","T515":"3816","T518":"1392","T520":"2133","T522":"829","T524":"903","T544":"2501","T545":"1490","T547":"3211","M500":"564","M439":"1324","M441":"1213","M504":"1062","M483":"3432","M486":"4878","M540":"3735","M498":"745","T519":"1320","T521":"1409","T523":"964","T525":"472","T527":"701","T540":"2144","T542":"858","T546":"966","Biorec001":"428","Biorec002":"377","Biorec003":"291","Biorec004":"249","Biorec005":"456","Biorec006":"503","Biorec007":"355","MtdBlank001":"261","MtdBlank002":"284","MtdBlank003":"252","MtdBlank004":"286","MtdBlank005":"274","MtdBlank006":"269","MtdBlank007":"246"},{"Metabolite":"alpha-Methylhistidine","M438":"43621","M440":"34986","M447":"22572","M485":"11093","M487":"12446","M492":"12130","M499":"10635","M503":"5414","T515":"58582","T518":"11468","T520":"33037","T522":"6463","T524":"10708","T544":"30334","T545":"17926","T547":"30574","M500":"9178","M439":"12338","M441":"12266","M504":"12520","M483":"31684","M486":"37490","M540":"27600","M498":"5997","T519":"12002","T521":"23879","T523":"16149","T525":"12887","T527":"16068","T540":"27366","T542":"9591","T546":"11461","Biorec001":"24573","Biorec002":"20628","Biorec003":"13693","Biorec004":"7884","Biorec005":"27357","Biorec006":"33368","Biorec007":"14921","MtdBlank001":"8974","MtdBlank002":"9042","MtdBlank003":"6493","MtdBlank004":"3158","MtdBlank005":"10428","MtdBlank006":"11182","MtdBlank007":"6139"},{"Metabolite":"Anserine","M438":"21888","M440":"17765","M447":"11789","M485":"5256","M487":"8750","M492":"7396","M499":"3471","M503":"4024","T515":"13850","T518":"4705","T520":"10608","T522":"3870","T524":"6346","T544":"14258","T545":"7088","T547":"20942","M500":"1617","M439":"1553","M441":"1752","M504":"1641","M483":"3289","M486":"8372","M540":"5504","M498":"1647","T519":"4436","T521":"5874","T523":"7581","T525":"2823","T527":"3765","T540":"10125","T542":"2040162","T546":"4058","Biorec001":"6460","Biorec002":"2041","Biorec003":"1499","Biorec004":"1101","Biorec005":"1445","Biorec006":"1426","Biorec007":"863","MtdBlank001":"3721","MtdBlank002":"1356","MtdBlank003":"867","MtdBlank004":"783","MtdBlank005":"647","MtdBlank006":"612","MtdBlank007":"434"},{"Metabolite":"Arabinofuranosyluracil 5''-monophosphate","M438":"1918","M440":"1918","M447":"3704","M485":"5094","M487":"2112","M492":"6202","M499":"6177","M503":"4681","T515":"1367","T518":"7090","T520":"2335","T522":"3209","T524":"5386","T544":"2981","T545":"4000","T547":"3892","M500":"6062","M439":"5162","M441":"5199","M504":"6685","M483":"3506","M486":"2236","M540":"1653","M498":"5849","T519":"6763","T521":"4125","T523":"3216","T525":"5308","T527":"5617","T540":"2961","T542":"1753","T546":"5658","Biorec001":"2461","Biorec002":"2285","Biorec003":"3013","Biorec004":"2292","Biorec005":"2239","Biorec006":"1715","Biorec007":"2170","MtdBlank001":"1531","MtdBlank002":"305","MtdBlank003":"2065","MtdBlank004":"123","MtdBlank005":"219","MtdBlank006":"1083","MtdBlank007":"166"},{"Metabolite":"Arginine","M438":"194998","M440":"191533","M447":"135520","M485":"75105","M487":"82047","M492":"71872","M499":"60666","M503":"36689","T515":"191421","T518":"77002","T520":"213880","T522":"64521","T524":"83130","T544":"138455","T545":"114693","T547":"184709","M500":"41952","M439":"78510","M441":"61495","M504":"55677","M483":"141536","M486":"160026","M540":"180061","M498":"34026","T519":"70538","T521":"106800","T523":"81211","T525":"60172","T527":"44458","T540":"137379","T542":"91172","T546":"68597","Biorec001":"197210","Biorec002":"183473","Biorec003":"116216","Biorec004":"82937","Biorec005":"204077","Biorec006":"222703","Biorec007":"126431","MtdBlank001":"17733","MtdBlank002":"22025","MtdBlank003":"15335","MtdBlank004":"7655","MtdBlank005":"17913","MtdBlank006":"22747","MtdBlank007":"15041"},{"Metabolite":"Aspartic acid","M438":"62411","M440":"53197","M447":"55859","M485":"18176","M487":"21850","M492":"23471","M499":"12465","M503":"11870","T515":"71230","T518":"24150","T520":"51993","T522":"8363","T524":"15365","T544":"48631","T545":"28367","T547":"39514","M500":"8254","M439":"24132","M441":"22121","M504":"22312","M483":"96780","M486":"107887","M540":"69940","M498":"8405","T519":"28604","T521":"53587","T523":"20612","T525":"17931","T527":"22492","T540":"51109","T542":"14577","T546":"20074","Biorec001":"434","Biorec002":"605","Biorec003":"755","Biorec004":"875","Biorec005":"1019","Biorec006":"2408","Biorec007":"1288","MtdBlank001":"84","MtdBlank002":"105","MtdBlank003":"89","MtdBlank004":"113","MtdBlank005":"117","MtdBlank006":"272","MtdBlank007":"156"},{"Metabolite":"Benzyldimethylstearylammonium","M438":"943","M440":"7002","M447":"1070","M485":"1902","M487":"1654","M492":"1430","M499":"7018","M503":"2333","T515":"875","T518":"1702","T520":"1227","T522":"5633","T524":"2186","T544":"1469","T545":"1422","T547":"1013","M500":"8803","M439":"9737","M441":"1471","M504":"3225","M483":"1356","M486":"1206","M540":"726","M498":"4252","T519":"4234","T521":"1312","T523":"1970","T525":"4445","T527":"2128","T540":"1526","T542":"6931","T546":"4045","Biorec001":"1042","Biorec002":"1534","Biorec003":"2648","Biorec004":"3678","Biorec005":"606","Biorec006":"1483","Biorec007":"3378","MtdBlank001":"3225","MtdBlank002":"1455","MtdBlank003":"6446","MtdBlank004":"4864","MtdBlank005":"1180","MtdBlank006":"2209","MtdBlank007":"3709"},{"Metabolite":"Betaine","M438":"1954212","M440":"2373447","M447":"2842846","M485":"1488825","M487":"1865936","M492":"1830035","M499":"1674147","M503":"929281","T515":"2496340","T518":"1421883","T520":"1932628","T522":"1154753","T524":"1202429","T544":"4068869","T545":"2030138","T547":"2632358","M500":"2587939","M439":"1529128","M441":"1644693","M504":"2488501","M483":"3606179","M486":"5131436","M540":"3114765","M498":"1537593","T519":"1457595","T521":"3210444","T523":"1909049","T525":"1411562","T527":"2013549","T540":"3017363","T542":"1981635","T546":"2346700","Biorec001":"2426078","Biorec002":"2134927","Biorec003":"1754606","Biorec004":"1042754","Biorec005":"2210706","Biorec006":"2444580","Biorec007":"1537064","MtdBlank001":"53277","MtdBlank002":"48002","MtdBlank003":"43783","MtdBlank004":"41403","MtdBlank005":"47691","MtdBlank006":"55389","MtdBlank007":"41932"},{"Metabolite":"Carnitine","M438":"9529522","M440":"11729233","M447":"10034387","M485":"6602278","M487":"5202326","M492":"7408704","M499":"6882938","M503":"5375222","T515":"9575283","T518":"8125092","T520":"7747872","T522":"4600672","T524":"5811328","T544":"7674016","T545":"6022886","T547":"10414379","M500":"4809078","M439":"6223056","M441":"6944427","M504":"6181364","M483":"9684471","M486":"9895035","M540":"10448542","M498":"4866656","T519":"5801536","T521":"6276184","T523":"5041680","T525":"3394800","T527":"4947806","T540":"6933512","T542":"4616090","T546":"4623805","Biorec001":"1166255","Biorec002":"1118526","Biorec003":"942291","Biorec004":"673178","Biorec005":"970846","Biorec006":"1122459","Biorec007":"863124","MtdBlank001":"8317","MtdBlank002":"6504","MtdBlank003":"6895","MtdBlank004":"6172","MtdBlank005":"8186","MtdBlank006":"11011","MtdBlank007":"7501"},{"Metabolite":"Carnosine","M438":"54324","M440":"50927","M447":"20413","M485":"9691","M487":"14960","M492":"10450","M499":"6800","M503":"4850","T515":"31997","T518":"8835","T520":"25631","T522":"6847","T524":"9618","T544":"24536","T545":"14729","T547":"24869","M500":"1724","M439":"2481","M441":"4536","M504":"2243","M483":"5991","M486":"11916","M540":"12601","M498":"1970","T519":"8264","T521":"18992","T523":"21847","T525":"10443","T527":"13991","T540":"33614","T542":"590152","T546":"13667","Biorec001":"4145","Biorec002":"1994","Biorec003":"1697","Biorec004":"1276","Biorec005":"2029","Biorec006":"1961","Biorec007":"1079","MtdBlank001":"2561","MtdBlank002":"1085","MtdBlank003":"639","MtdBlank004":"566","MtdBlank005":"603","MtdBlank006":"699","MtdBlank007":"411"},{"Metabolite":"Choline","M438":"1748861","M440":"1793158","M447":"1806981","M485":"945964","M487":"1048249","M492":"1125247","M499":"1295808","M503":"716464","T515":"2331790","T518":"1291427","T520":"1881524","T522":"1033118","T524":"1376474","T544":"1828636","T545":"1649825","T547":"2149876","M500":"1145974","M439":"681546","M441":"844052","M504":"1151450","M483":"2050680","M486":"1988274","M540":"1796791","M498":"647289","T519":"882703","T521":"1636955","T523":"1624814","T525":"1058393","T527":"1467056","T540":"1651702","T542":"876764","T546":"911127","Biorec001":"366812","Biorec002":"289876","Biorec003":"237058","Biorec004":"141131","Biorec005":"322623","Biorec006":"391287","Biorec007":"226801","MtdBlank001":"2069","MtdBlank002":"853","MtdBlank003":"1015","MtdBlank004":"1502","MtdBlank005":"1836","MtdBlank006":"3126","MtdBlank007":"1691"},{"Metabolite":"Citrulline","M438":"285957","M440":"344282","M447":"372605","M485":"149341","M487":"126431","M492":"172153","M499":"119893","M503":"84055","T515":"391633","T518":"161941","T520":"400438","T522":"86597","T524":"159045","T544":"427804","T545":"220595","T547":"435691","M500":"73777","M439":"95100","M441":"109306","M504":"114681","M483":"362237","M486":"403999","M540":"292428","M498":"72121","T519":"151309","T521":"265365","T523":"132092","T525":"94982","T527":"143403","T540":"270953","T542":"97424","T546":"113940","Biorec001":"81986","Biorec002":"78124","Biorec003":"64509","Biorec004":"30806","Biorec005":"86059","Biorec006":"87778","Biorec007":"53007","MtdBlank001":"2661","MtdBlank002":"2294","MtdBlank003":"2137","MtdBlank004":"972","MtdBlank005":"2433","MtdBlank006":"2995","MtdBlank007":"2236"},{"Metabolite":"Cocamidopropyl Betaine","M438":"2551","M440":"5283","M447":"4642","M485":"3467","M487":"9038","M492":"3659","M499":"16068","M503":"3856","T515":"6216","T518":"4563","T520":"4224","T522":"4424","T524":"6085","T544":"10713","T545":"7073","T547":"5635","M500":"7430","M439":"6174","M441":"3499","M504":"4658","M483":"9235","M486":"6473","M540":"11213","M498":"4934","T519":"6477","T521":"7359","T523":"7349","T525":"22040","T527":"7962","T540":"7638","T542":"12729","T546":"8419","Biorec001":"5753","Biorec002":"5027","Biorec003":"8064","Biorec004":"10924","Biorec005":"4142","Biorec006":"6412","Biorec007":"12702","MtdBlank001":"6860","MtdBlank002":"3274","MtdBlank003":"7632","MtdBlank004":"4209","MtdBlank005":"4955","MtdBlank006":"5679","MtdBlank007":"8487"},{"Metabolite":"Corticosterone","M438":"2960","M440":"3260","M447":"2560","M485":"4500","M487":"3789","M492":"6652","M499":"8970","M503":"6062","T515":"6572","T518":"6373","T520":"5697","T522":"10281","T524":"11082","T544":"2226","T545":"4230","T547":"8307","M500":"30429","M439":"3508","M441":"8778","M504":"21126","M483":"6139","M486":"3363","M540":"3838","M498":"6128","T519":"15506","T521":"8080","T523":"5054","T525":"6429","T527":"7193","T540":"5103","T542":"8091","T546":"10884","Biorec001":"374","Biorec002":"366","Biorec003":"374","Biorec004":"358","Biorec005":"400","Biorec006":"434","Biorec007":"310","MtdBlank001":"147","MtdBlank002":"124","MtdBlank003":"179","MtdBlank004":"106","MtdBlank005":"127","MtdBlank006":"140","MtdBlank007":"139"},{"Metabolite":"Creatine","M438":"8521804","M440":"8510045","M447":"7308988","M485":"5216554","M487":"5045468","M492":"5111366","M499":"5156125","M503":"4022766","T515":"9176921","T518":"6032228","T520":"7794193","T522":"4336152","T524":"5819146","T544":"7984026","T545":"6626616","T547":"8267220","M500":"4683016","M439":"5352599","M441":"5831358","M504":"5245660","M483":"8478611","M486":"8610629","M540":"8003901","M498":"3742462","T519":"5120000","T521":"6630085","T523":"5642718","T525":"4330309","T527":"4607241","T540":"6688156","T542":"4086796","T546":"4353540","Biorec001":"470202","Biorec002":"414964","Biorec003":"320380","Biorec004":"200149","Biorec005":"514879","Biorec006":"555237","Biorec007":"316602","MtdBlank001":"13301","MtdBlank002":"9190","MtdBlank003":"10973","MtdBlank004":"11671","MtdBlank005":"11806","MtdBlank006":"18192","MtdBlank007":"12567"},{"Metabolite":"Creatinine","M438":"1891259","M440":"1582987","M447":"1453372","M485":"911936","M487":"701239","M492":"1041166","M499":"1092922","M503":"750944","T515":"2254510","T518":"1329977","T520":"1162399","T522":"694098","T524":"1119437","T544":"1521839","T545":"1186531","T547":"2153518","M500":"1416901","M439":"1051527","M441":"1249726","M504":"1193770","M483":"2182632","M486":"2168804","M540":"2410036","M498":"691971","T519":"549307","T521":"590150","T523":"335165","T525":"252739","T527":"308375","T540":"353307","T542":"194331","T546":"195866","Biorec001":"1813170","Biorec002":"1464660","Biorec003":"1330643","Biorec004":"922252","Biorec005":"1634108","Biorec006":"1818137","Biorec007":"1208045","MtdBlank001":"3026","MtdBlank002":"2013","MtdBlank003":"1889","MtdBlank004":"1776","MtdBlank005":"2021","MtdBlank006":"2145","MtdBlank007":"2068"},{"Metabolite":"Cytidine","M438":"196851","M440":"165027","M447":"136968","M485":"52443","M487":"54408","M492":"69977","M499":"93746","M503":"42472","T515":"325858","T518":"89938","T520":"117660","T522":"41926","T524":"74185","T544":"151484","T545":"79770","T547":"256027","M500":"119081","M439":"49155","M441":"87168","M504":"125034","M483":"242236","M486":"374638","M540":"265737","M498":"50852","T519":"41068","T521":"81162","T523":"68572","T525":"33349","T527":"40287","T540":"104425","T542":"42124","T546":"31975","Biorec001":"54","Biorec002":"66","Biorec003":"89","Biorec004":"99","Biorec005":"86","Biorec006":"95","Biorec007":"99","MtdBlank001":"699","MtdBlank002":"747","MtdBlank003":"510","MtdBlank004":"566","MtdBlank005":"611","MtdBlank006":"629","MtdBlank007":"561"},{"Metabolite":"Cytidine 5''-diphosphate ethanolamine","M438":"17623","M440":"19274","M447":"12398","M485":"5554","M487":"9612","M492":"5388","M499":"4521","M503":"3952","T515":"23115","T518":"5740","T520":"15512","T522":"2512","T524":"4902","T544":"14111","T545":"7691","T547":"12601","M500":"2624","M439":"4935","M441":"6561","M504":"4695","M483":"14291","M486":"25112","M540":"24321","M498":"3239","T519":"4087","T521":"8960","T523":"8909","T525":"3094","T527":"3882","T540":"10472","T542":"4152","T546":"6404","Biorec001":"483","Biorec002":"947","Biorec003":"1291","Biorec004":"922","Biorec005":"1107","Biorec006":"2408","Biorec007":"1540","MtdBlank001":"244","MtdBlank002":"366","MtdBlank003":"227","MtdBlank004":"224","MtdBlank005":"315","MtdBlank006":"924","MtdBlank007":"438"},{"Metabolite":"Cytidine 5''-diphosphocholine","M438":"122040","M440":"99249","M447":"57359","M485":"33941","M487":"43419","M492":"25738","M499":"24375","M503":"15793","T515":"120319","T518":"26886","T520":"106448","T522":"16296","T524":"25543","T544":"77900","T545":"51243","T547":"87426","M500":"10117","M439":"21611","M441":"40400","M504":"26754","M483":"96338","M486":"155223","M540":"145820","M498":"14222","T519":"28652","T521":"54831","T523":"38598","T525":"16972","T527":"23122","T540":"69350","T542":"26117","T546":"40983","Biorec001":"1150","Biorec002":"2320","Biorec003":"4040","Biorec004":"3434","Biorec005":"3738","Biorec006":"9621","Biorec007":"4125","MtdBlank001":"575","MtdBlank002":"845","MtdBlank003":"713","MtdBlank004":"677","MtdBlank005":"1089","MtdBlank006":"2547","MtdBlank007":"978"},{"Metabolite":"Decanoyl-L-carnitine","M438":"33433","M440":"35359","M447":"13997","M485":"17577","M487":"12064","M492":"27967","M499":"128189","M503":"22024","T515":"34018","T518":"107644","T520":"30508","T522":"107888","T524":"144495","T544":"14821","T545":"37391","T547":"56308","M500":"74263","M439":"20573","M441":"62606","M504":"38495","M483":"17587","M486":"14130","M540":"12052","M498":"27749","T519":"37622","T521":"14246","T523":"19630","T525":"42676","T527":"26868","T540":"10405","T542":"26261","T546":"40872","Biorec001":"1521","Biorec002":"1628","Biorec003":"1698","Biorec004":"2690","Biorec005":"851","Biorec006":"1262","Biorec007":"1745","MtdBlank001":"58","MtdBlank002":"66","MtdBlank003":"58","MtdBlank004":"68","MtdBlank005":"49","MtdBlank006":"58","MtdBlank007":"78"},{"Metabolite":"Ethylhexadecyldimethylammonium","M438":"611","M440":"856","M447":"1100","M485":"4522","M487":"691","M492":"1377","M499":"5356","M503":"2010","T515":"1341","T518":"972","T520":"621","T522":"1253","T524":"968","T544":"1871","T545":"1282","T547":"528","M500":"863","M439":"2418","M441":"2138","M504":"911","M483":"558","M486":"611","M540":"599","M498":"2104","T519":"7786","T521":"828","T523":"766","T525":"3038","T527":"1726","T540":"670","T542":"1423","T546":"1568","Biorec001":"449","Biorec002":"1167","Biorec003":"696","Biorec004":"6938","Biorec005":"245","Biorec006":"1897","Biorec007":"1053","MtdBlank001":"714","MtdBlank002":"770","MtdBlank003":"34163","MtdBlank004":"1598","MtdBlank005":"228","MtdBlank006":"661","MtdBlank007":"1218"},{"Metabolite":"Flavin-adenine-dinucleotide","M438":"67997","M440":"70228","M447":"35456","M485":"18042","M487":"22473","M492":"17468","M499":"10859","M503":"14179","T515":"78728","T518":"20957","T520":"54373","T522":"9528","T524":"19632","T544":"51081","T545":"33622","T547":"53018","M500":"6815","M439":"4470","M441":"15741","M504":"15671","M483":"39714","M486":"51270","M540":"59616","M498":"8660","T519":"13829","T521":"26160","T523":"20824","T525":"9179","T527":"8671","T540":"24698","T542":"9097","T546":"10397","Biorec001":"1576","Biorec002":"3710","Biorec003":"3480","Biorec004":"3037","Biorec005":"3806","Biorec006":"5357","Biorec007":"3116","MtdBlank001":"609","MtdBlank002":"1040","MtdBlank003":"828","MtdBlank004":"752","MtdBlank005":"837","MtdBlank006":"1414","MtdBlank007":"816"},{"Metabolite":"Flavine mononucleotide","M438":"2980","M440":"3604","M447":"960","M485":"1096","M487":"1228","M492":"1036","M499":"506","M503":"1050","T515":"5181","T518":"1489","T520":"2714","T522":"735","T524":"1235","T544":"2951","T545":"2037","T547":"2541","M500":"718","M439":"301","M441":"896","M504":"1036","M483":"1470","M486":"2239","M540":"4272","M498":"516","T519":"1181","T521":"2362","T523":"1653","T525":"785","T527":"605","T540":"1440","T542":"745","T546":"628","Biorec001":"15","Biorec002":"12","Biorec003":"19","Biorec004":"27","Biorec005":"36","Biorec006":"39","Biorec007":"20","MtdBlank001":"13","MtdBlank002":"13","MtdBlank003":"4","MtdBlank004":"9","MtdBlank005":"12","MtdBlank006":"6","MtdBlank007":"6"},{"Metabolite":"Fructose","M438":"7853","M440":"15107","M447":"5321","M485":"2286","M487":"5431","M492":"5528","M499":"2754","M503":"755","T515":"22130","T518":"3763","T520":"20788","T522":"2886","T524":"5154","T544":"15140","T545":"2475","T547":"6587","M500":"7060","M439":"6349","M441":"4830","M504":"8329","M483":"8478","M486":"19764","M540":"9575","M498":"2452","T519":"2641","T521":"11351","T523":"14890","T525":"7444","T527":"14052","T540":"12633","T542":"5420","T546":"6397","Biorec001":"67523","Biorec002":"53795","Biorec003":"40715","Biorec004":"24311","Biorec005":"67773","Biorec006":"70749","Biorec007":"38392","MtdBlank001":"191","MtdBlank002":"194","MtdBlank003":"154","MtdBlank004":"76","MtdBlank005":"202","MtdBlank006":"240","MtdBlank007":"98"},{"Metabolite":"Galacto-N-biose","M438":"1413","M440":"1730","M447":"1740","M485":"529","M487":"584","M492":"724","M499":"653","M503":"284","T515":"1733","T518":"676","T520":"2523","T522":"346","T524":"396","T544":"1882","T545":"915","T547":"3084","M500":"451","M439":"389","M441":"725","M504":"924","M483":"3881","M486":"3399","M540":"1814","M498":"292","T519":"953","T521":"5678","T523":"2481","T525":"736","T527":"4908","T540":"3681","T542":"1375","T546":"4635","Biorec001":"244","Biorec002":"193","Biorec003":"114","Biorec004":"65","Biorec005":"363","Biorec006":"400","Biorec007":"150","MtdBlank001":"7","MtdBlank002":"10","MtdBlank003":"8","MtdBlank004":"13","MtdBlank005":"14","MtdBlank006":"20","MtdBlank007":"12"},{"Metabolite":"gamma-Glutamylleucine","M438":"100085","M440":"85747","M447":"24593","M485":"10248","M487":"19019","M492":"8766","M499":"7391","M503":"5222","T515":"90635","T518":"9428","T520":"22818","T522":"6616","T524":"9010","T544":"30333","T545":"14298","T547":"25509","M500":"2765","M439":"8598","M441":"15491","M504":"6369","M483":"24402","M486":"58767","M540":"66642","M498":"3778","T519":"6379","T521":"15624","T523":"23364","T525":"3863","T527":"5912","T540":"33394","T542":"9697","T546":"9072","Biorec001":"2163","Biorec002":"1659","Biorec003":"1255","Biorec004":"629","Biorec005":"1909","Biorec006":"1912","Biorec007":"1371","MtdBlank001":"356","MtdBlank002":"292","MtdBlank003":"274","MtdBlank004":"293","MtdBlank005":"324","MtdBlank006":"319","MtdBlank007":"300"},{"Metabolite":"Glucose 1-phosphate","M438":"2128","M440":"3066","M447":"3392","M485":"2164","M487":"2598","M492":"2108","M499":"2166","M503":"1920","T515":"2285","T518":"2311","T520":"1557","T522":"1633","T524":"1195","T544":"2067","T545":"636","T547":"2419","M500":"1192","M439":"2121","M441":"3291","M504":"2603","M483":"2543","M486":"4364","M540":"3231","M498":"1868","T519":"2102","T521":"3283","T523":"2632","T525":"878","T527":"1390","T540":"3065","T542":"921","T546":"2293","Biorec001":"14","Biorec002":"60","Biorec003":"185","Biorec004":"617","Biorec005":"343","Biorec006":"476","Biorec007":"399","MtdBlank001":"19","MtdBlank002":"44","MtdBlank003":"61","MtdBlank004":"59","MtdBlank005":"101","MtdBlank006":"136","MtdBlank007":"107"},{"Metabolite":"Glutamic acid","M438":"647144","M440":"637480","M447":"602393","M485":"240561","M487":"203705","M492":"228267","M499":"182934","M503":"165395","T515":"878885","T518":"241186","T520":"602047","T522":"127575","T524":"210833","T544":"619497","T545":"292528","T547":"656939","M500":"105835","M439":"164503","M441":"226311","M504":"217992","M483":"480506","M486":"731470","M540":"768819","M498":"141032","T519":"249913","T521":"394735","T523":"245102","T525":"124225","T527":"185159","T540":"559205","T542":"226340","T546":"195512","Biorec001":"45507","Biorec002":"40928","Biorec003":"32066","Biorec004":"16065","Biorec005":"42994","Biorec006":"49323","Biorec007":"29608","MtdBlank001":"1438","MtdBlank002":"1630","MtdBlank003":"1040","MtdBlank004":"1037","MtdBlank005":"1663","MtdBlank006":"1870","MtdBlank007":"1248"},{"Metabolite":"Glutamine","M438":"599810","M440":"549154","M447":"405474","M485":"230756","M487":"218021","M492":"257129","M499":"214234","M503":"160230","T515":"786104","T518":"287339","T520":"443712","T522":"223793","T524":"257580","T544":"468574","T545":"304115","T547":"527564","M500":"182985","M439":"237339","M441":"232756","M504":"218977","M483":"444644","M486":"681006","M540":"523647","M498":"141211","T519":"234426","T521":"344305","T523":"256875","T525":"157542","T527":"161864","T540":"326675","T542":"153000","T546":"153462","Biorec001":"75951","Biorec002":"70224","Biorec003":"56701","Biorec004":"27968","Biorec005":"57257","Biorec006":"64247","Biorec007":"39843","MtdBlank001":"1062","MtdBlank002":"1333","MtdBlank003":"1726","MtdBlank004":"549","MtdBlank005":"1248","MtdBlank006":"1802","MtdBlank007":"999"},{"Metabolite":"Glutathione (oxidized)","M438":"212946","M440":"260976","M447":"163003","M485":"36995","M487":"118602","M492":"20912","M499":"24205","M503":"16165","T515":"285446","T518":"27579","T520":"246718","T522":"12582","T524":"25579","T544":"207478","T545":"101054","T547":"163765","M500":"16539","M439":"18246","M441":"59989","M504":"11723","M483":"103783","M486":"266807","M540":"264393","M498":"17929","T519":"32139","T521":"123670","T523":"117273","T525":"23787","T527":"30372","T540":"159863","T542":"78472","T546":"41522","Biorec001":"35528","Biorec002":"52091","Biorec003":"22972","Biorec004":"16589","Biorec005":"27064","Biorec006":"55767","Biorec007":"28243","MtdBlank001":"12646","MtdBlank002":"16358","MtdBlank003":"5483","MtdBlank004":"7400","MtdBlank005":"7762","MtdBlank006":"16408","MtdBlank007":"10118"},{"Metabolite":"Glutathione (reduced)","M438":"26752","M440":"13896","M447":"12615","M485":"6290","M487":"8678","M492":"7012","M499":"3476","M503":"4015","T515":"21147","T518":"8093","T520":"4959","T522":"3340","T524":"6669","T544":"18322","T545":"6785","T547":"26170","M500":"3542","M439":"3085","M441":"6787","M504":"2527","M483":"15498","M486":"15493","M540":"12291","M498":"2587","T519":"35413","T521":"8586","T523":"9057","T525":"2851","T527":"4348","T540":"8699","T542":"6836","T546":"3312","Biorec001":"3584","Biorec002":"5114","Biorec003":"3215","Biorec004":"4548","Biorec005":"3021","Biorec006":"5043","Biorec007":"3380","MtdBlank001":"4646","MtdBlank002":"5691","MtdBlank003":"2818","MtdBlank004":"2780","MtdBlank005":"2953","MtdBlank006":"4247","MtdBlank007":"3410"},{"Metabolite":"Guanine","M438":"4422","M440":"4833","M447":"6423","M485":"3614","M487":"2166","M492":"5656","M499":"5089","M503":"5976","T515":"11206","T518":"5394","T520":"3611","T522":"2828","T524":"4972","T544":"6854","T545":"6627","T547":"11246","M500":"9315","M439":"4849","M441":"4933","M504":"7239","M483":"14727","M486":"11700","M540":"19926","M498":"4664","T519":"5540","T521":"8837","T523":"7781","T525":"4847","T527":"6129","T540":"7575","T542":"4090","T546":"3662","Biorec001":"100","Biorec002":"89","Biorec003":"118","Biorec004":"90","Biorec005":"86","Biorec006":"104","Biorec007":"101","MtdBlank001":"145","MtdBlank002":"105","MtdBlank003":"106","MtdBlank004":"130","MtdBlank005":"122","MtdBlank006":"125","MtdBlank007":"137"},{"Metabolite":"Guanosine","M438":"599","M440":"1335","M447":"1389","M485":"2100","M487":"1437","M492":"1760","M499":"2107","M503":"4511","T515":"1724","T518":"1580","T520":"1211","T522":"1480","T524":"1276","T544":"1112","T545":"2097","T547":"1701","M500":"4094","M439":"2206","M441":"2641","M504":"2254","M483":"3722","M486":"4806","M540":"5951","M498":"2416","T519":"2153","T521":"6582","T523":"5058","T525":"3925","T527":"4418","T540":"4039","T542":"2347","T546":"2981","Biorec001":"2","Biorec002":"9","Biorec003":"10","Biorec004":"11","Biorec005":"15","Biorec006":"19","Biorec007":"20","MtdBlank001":"26","MtdBlank002":"14","MtdBlank003":"6","MtdBlank004":"8","MtdBlank005":"33","MtdBlank006":"33","MtdBlank007":"31"},{"Metabolite":"Guanosine 5''-monophosphate","M438":"89514","M440":"79776","M447":"50230","M485":"30882","M487":"32872","M492":"23862","M499":"24546","M503":"20079","T515":"74166","T518":"25998","T520":"77433","T522":"14769","T524":"25636","T544":"69965","T545":"44282","T547":"54210","M500":"8204","M439":"5295","M441":"29119","M504":"21363","M483":"59479","M486":"85964","M540":"35424","M498":"11659","T519":"24882","T521":"51956","T523":"35885","T525":"22554","T527":"27697","T540":"43724","T542":"15289","T546":"27380","Biorec001":"616","Biorec002":"1562","Biorec003":"2466","Biorec004":"2392","Biorec005":"2464","Biorec006":"3488","Biorec007":"2247","MtdBlank001":"186","MtdBlank002":"383","MtdBlank003":"715","MtdBlank004":"442","MtdBlank005":"418","MtdBlank006":"531","MtdBlank007":"512"},{"Metabolite":"Hexanoyl-L-carnitine","M438":"479941","M440":"536530","M447":"238976","M485":"195192","M487":"171758","M492":"251620","M499":"366366","M503":"87837","T515":"752960","T518":"438622","T520":"382074","T522":"344087","T524":"507148","T544":"270330","T545":"502156","T547":"793439","M500":"338462","M439":"221409","M441":"261191","M504":"139262","M483":"345471","M486":"393188","M540":"247600","M498":"118652","T519":"171630","T521":"166307","T523":"149435","T525":"135729","T527":"76816","T540":"139152","T542":"156118","T546":"157399","Biorec001":"3938","Biorec002":"3382","Biorec003":"3611","Biorec004":"2501","Biorec005":"3291","Biorec006":"3621","Biorec007":"3180","MtdBlank001":"330","MtdBlank002":"318","MtdBlank003":"262","MtdBlank004":"297","MtdBlank005":"276","MtdBlank006":"347","MtdBlank007":"316"},{"Metabolite":"His-Gly","M438":"2024","M440":"1544","M447":"1102","M485":"486","M487":"668","M492":"640","M499":"537","M503":"220","T515":"3272","T518":"637","T520":"1086","T522":"2294","T524":"486","T544":"1712","T545":"1000","T547":"2519","M500":"211","M439":"353","M441":"400","M504":"438","M483":"1859","M486":"3753","M540":"1176","M498":"372","T519":"498","T521":"1194","T523":"816","T525":"328","T527":"901","T540":"2008","T542":"3668","T546":"882","Biorec001":"1186","Biorec002":"1080","Biorec003":"794","Biorec004":"526","Biorec005":"1455","Biorec006":"1454","Biorec007":"1207","MtdBlank001":"174","MtdBlank002":"170","MtdBlank003":"97","MtdBlank004":"100","MtdBlank005":"146","MtdBlank006":"219","MtdBlank007":"146"},{"Metabolite":"Histamine","M438":"20698","M440":"22386","M447":"32708","M485":"14051","M487":"7956","M492":"21034","M499":"19173","M503":"7775","T515":"25899","T518":"15838","T520":"14781","T522":"7305","T524":"11755","T544":"28615","T545":"25290","T547":"50472","M500":"24561","M439":"12236","M441":"14890","M504":"17887","M483":"36179","M486":"58410","M540":"39758","M498":"13401","T519":"25739","T521":"31129","T523":"14444","T525":"12388","T527":"13825","T540":"40276","T542":"25330","T546":"23096","Biorec001":"1197","Biorec002":"699","Biorec003":"603","Biorec004":"671","Biorec005":"812","Biorec006":"1280","Biorec007":"791","MtdBlank001":"447","MtdBlank002":"434","MtdBlank003":"349","MtdBlank004":"404","MtdBlank005":"373","MtdBlank006":"462","MtdBlank007":"381"},{"Metabolite":"Histidine","M438":"91647","M440":"102495","M447":"67932","M485":"33809","M487":"35369","M492":"35393","M499":"26499","M503":"23136","T515":"159840","T518":"34731","T520":"69339","T522":"26430","T524":"34865","T544":"83386","T545":"44720","T547":"94271","M500":"18693","M439":"26229","M441":"27478","M504":"24899","M483":"73977","M486":"112351","M540":"80247","M498":"15442","T519":"47526","T521":"66629","T523":"52089","T525":"27634","T527":"36290","T540":"86318","T542":"39957","T546":"25031","Biorec001":"64556","Biorec002":"53652","Biorec003":"38267","Biorec004":"26490","Biorec005":"68809","Biorec006":"78703","Biorec007":"40664","MtdBlank001":"8833","MtdBlank002":"9338","MtdBlank003":"7167","MtdBlank004":"3734","MtdBlank005":"9832","MtdBlank006":"11583","MtdBlank007":"6561"},{"Metabolite":"His-Val","M438":"738","M440":"506","M447":"427","M485":"390","M487":"209","M492":"431","M499":"356","M503":"241","T515":"1056","T518":"315","T520":"540","T522":"430","T524":"263","T544":"668","T545":"555","T547":"1226","M500":"220","M439":"162","M441":"388","M504":"506","M483":"928","M486":"2259","M540":"646","M498":"289","T519":"856","T521":"1254","T523":"429","T525":"377","T527":"576","T540":"1349","T542":"770","T546":"730","Biorec001":"286","Biorec002":"206","Biorec003":"159","Biorec004":"126","Biorec005":"283","Biorec006":"296","Biorec007":"198","MtdBlank001":"97","MtdBlank002":"111","MtdBlank003":"106","MtdBlank004":"113","MtdBlank005":"137","MtdBlank006":"106","MtdBlank007":"96"},{"Metabolite":"Hypoxanthine","M438":"469938","M440":"528396","M447":"494818","M485":"395150","M487":"427141","M492":"499767","M499":"473906","M503":"339501","T515":"728171","T518":"446067","T520":"608878","T522":"356515","T524":"427959","T544":"536893","T545":"464099","T547":"670257","M500":"557268","M439":"264783","M441":"347108","M504":"583522","M483":"814460","M486":"664119","M540":"433765","M498":"329935","T519":"636202","T521":"744605","T523":"745702","T525":"526533","T527":"692461","T540":"698723","T542":"479997","T546":"530235","Biorec001":"9899","Biorec002":"9672","Biorec003":"8528","Biorec004":"6448","Biorec005":"7195","Biorec006":"9853","Biorec007":"12957","MtdBlank001":"427","MtdBlank002":"409","MtdBlank003":"610","MtdBlank004":"819","MtdBlank005":"617","MtdBlank006":"825","MtdBlank007":"810"},{"Metabolite":"Inosine","M438":"295555","M440":"348460","M447":"365793","M485":"243782","M487":"238110","M492":"228984","M499":"237691","M503":"220950","T515":"415199","T518":"245379","T520":"295948","T522":"164917","T524":"221946","T544":"325797","T545":"258160","T547":"382510","M500":"321530","M439":"241141","M441":"302190","M504":"284903","M483":"506034","M486":"531823","M540":"472922","M498":"199717","T519":"262663","T521":"361548","T523":"354999","T525":"218687","T527":"264350","T540":"326143","T542":"184396","T546":"194683","Biorec001":"457","Biorec002":"342","Biorec003":"260","Biorec004":"127","Biorec005":"340","Biorec006":"415","Biorec007":"191","MtdBlank001":"166","MtdBlank002":"66","MtdBlank003":"165","MtdBlank004":"138","MtdBlank005":"131","MtdBlank006":"208","MtdBlank007":"174"},{"Metabolite":"Inosine 5''-monophosphate","M438":"861719","M440":"914871","M447":"677458","M485":"233500","M487":"250326","M492":"243566","M499":"227189","M503":"201008","T515":"908060","T518":"308135","T520":"682562","T522":"180847","T524":"237810","T544":"709118","T545":"393730","T547":"678260","M500":"76220","M439":"124893","M441":"225618","M504":"187047","M483":"616027","M486":"720546","M540":"668904","M498":"127468","T519":"190198","T521":"310990","T523":"215667","T525":"114676","T527":"146251","T540":"353885","T542":"169174","T546":"175562","Biorec001":"2673","Biorec002":"8736","Biorec003":"11572","Biorec004":"9244","Biorec005":"14020","Biorec006":"21621","Biorec007":"12757","MtdBlank001":"2192","MtdBlank002":"2400","MtdBlank003":"2467","MtdBlank004":"2290","MtdBlank005":"2625","MtdBlank006":"2923","MtdBlank007":"2267"},{"Metabolite":"Isoleucine","M438":"4974","M440":"10432","M447":"3664","M485":"2434","M487":"2198","M492":"2124","M499":"2186","M503":"930","T515":"8491","T518":"2137","T520":"3611","T522":"1618","T524":"2363","T544":"4912","T545":"2283","T547":"4326","M500":"2100","M439":"2441","M441":"1880","M504":"2728","M483":"5716","M486":"11703","M540":"8549","M498":"1570","T519":"2758","T521":"7349","T523":"4969","T525":"3020","T527":"7278","T540":"6228","T542":"3333","T546":"3683","Biorec001":"23402","Biorec002":"20291","Biorec003":"14394","Biorec004":"8936","Biorec005":"30095","Biorec006":"28058","Biorec007":"16874","MtdBlank001":"140","MtdBlank002":"100","MtdBlank003":"82","MtdBlank004":"97","MtdBlank005":"110","MtdBlank006":"130","MtdBlank007":"112"},{"Metabolite":"Isomaltose","M438":"906","M440":"600","M447":"97","M485":"92","M487":"1971","M492":"76","M499":"65","M503":"166","T515":"845","T518":"141","T520":"37","T522":"102","T524":"75","T544":"365","T545":"49","T547":"55","M500":"23","M439":"20","M441":"383","M504":"53","M483":"32","M486":"286","M540":"132","M498":"48","T519":"87","T521":"192","T523":"1733","T525":"79","T527":"103","T540":"588","T542":"9448","T546":"191","Biorec001":"41","Biorec002":"78","Biorec003":"162","Biorec004":"89","Biorec005":"287","Biorec006":"764","Biorec007":"270","MtdBlank001":"32","MtdBlank002":"27","MtdBlank003":"22","MtdBlank004":"20","MtdBlank005":"32","MtdBlank006":"64","MtdBlank007":"24"},{"Metabolite":"L-Arachidonoylcarnitine","M438":"8588","M440":"30626","M447":"2379","M485":"23465","M487":"19213","M492":"42913","M499":"121124","M503":"22959","T515":"2308","T518":"92943","T520":"32331","T522":"81803","T524":"63177","T544":"1638","T545":"28905","T547":"38368","M500":"60650","M439":"20459","M441":"38652","M504":"30295","M483":"10603","M486":"1559","M540":"1191","M498":"33758","T519":"29109","T521":"15886","T523":"17932","T525":"36541","T527":"23724","T540":"10852","T542":"15899","T546":"52566","Biorec001":"1010","Biorec002":"1035","Biorec003":"1466","Biorec004":"1808","Biorec005":"432","Biorec006":"783","Biorec007":"1296","MtdBlank001":"578","MtdBlank002":"539","MtdBlank003":"556","MtdBlank004":"596","MtdBlank005":"595","MtdBlank006":"597","MtdBlank007":"531"},{"Metabolite":"Lauric acid diethanolamide","M438":"773","M440":"1003","M447":"746","M485":"2365","M487":"1092","M492":"1225","M499":"7726","M503":"3610","T515":"691","T518":"1384","T520":"962","T522":"1490","T524":"1558","T544":"724","T545":"993","T547":"862","M500":"109781","M439":"1091","M441":"1297","M504":"17679","M483":"1021","M486":"671","M540":"566","M498":"1236","T519":"1618","T521":"788","T523":"1049","T525":"1215","T527":"1119","T540":"437","T542":"635","T546":"572","Biorec001":"693","Biorec002":"893","Biorec003":"1237","Biorec004":"628","Biorec005":"303","Biorec006":"380","Biorec007":"529","MtdBlank001":"361","MtdBlank002":"311","MtdBlank003":"1201","MtdBlank004":"386","MtdBlank005":"279","MtdBlank006":"308","MtdBlank007":"402"},{"Metabolite":"L-Cysteine-glutathione disulfide","M438":"2523","M440":"4373","M447":"3326","M485":"622","M487":"1481","M492":"357","M499":"341","M503":"306","T515":"2172","T518":"672","T520":"8120","T522":"329","T524":"446","T544":"2376","T545":"1894","T547":"1126","M500":"252","M439":"1243","M441":"2094","M504":"200","M483":"1084","M486":"2248","M540":"1965","M498":"255","T519":"587","T521":"6397","T523":"3741","T525":"1258","T527":"2387","T540":"5168","T542":"2192","T546":"3650","Biorec001":"1233","Biorec002":"572","Biorec003":"417","Biorec004":"211","Biorec005":"403","Biorec006":"572","Biorec007":"357","MtdBlank001":"661","MtdBlank002":"247","MtdBlank003":"108","MtdBlank004":"99","MtdBlank005":"147","MtdBlank006":"195","MtdBlank007":"158"},{"Metabolite":"Leu-Leu","M438":"399","M440":"242","M447":"269","M485":"193","M487":"152","M492":"257","M499":"202","M503":"156","T515":"632","T518":"194","T520":"189","T522":"147","T524":"188","T544":"380","T545":"262","T547":"619","M500":"151","M439":"208","M441":"281","M504":"366","M483":"593","M486":"1438","M540":"595","M498":"166","T519":"352","T521":"300","T523":"225","T525":"189","T527":"202","T540":"299","T542":"170","T546":"189","Biorec001":"15700","Biorec002":"12274","Biorec003":"9915","Biorec004":"5641","Biorec005":"17503","Biorec006":"13827","Biorec007":"8186","MtdBlank001":"115","MtdBlank002":"137","MtdBlank003":"110","MtdBlank004":"113","MtdBlank005":"196","MtdBlank006":"137","MtdBlank007":"121"},{"Metabolite":"Linoleoylcarnitine","M438":"4232","M440":"1253","M447":"1792","M485":"1326","M487":"874","M492":"1881","M499":"8001","M503":"814","T515":"2305","T518":"4856","T520":"3448","T522":"5657","T524":"6380","T544":"4307","T545":"3625","T547":"3658","M500":"2216","M439":"368","M441":"1014","M504":"584","M483":"556","M486":"522","M540":"600","M498":"1004","T519":"705","T521":"930","T523":"1179","T525":"1618","T527":"465","T540":"408","T542":"2306","T546":"1376","Biorec001":"39","Biorec002":"34","Biorec003":"43","Biorec004":"53","Biorec005":"34","Biorec006":"24","Biorec007":"35","MtdBlank001":"18","MtdBlank002":"13","MtdBlank003":"14","MtdBlank004":"14","MtdBlank005":"18","MtdBlank006":"16","MtdBlank007":"9"},{"Metabolite":"Lysine","M438":"93879","M440":"86497","M447":"73211","M485":"30909","M487":"45323","M492":"28763","M499":"22476","M503":"13657","T515":"130882","T518":"30132","T520":"91109","T522":"20903","T524":"26231","T544":"83665","T545":"51099","T547":"86508","M500":"11882","M439":"25020","M441":"21252","M504":"15810","M483":"56011","M486":"82475","M540":"72031","M498":"13753","T519":"21720","T521":"42392","T523":"35707","T525":"17003","T527":"26515","T540":"71407","T542":"45721","T546":"28643","Biorec001":"60241","Biorec002":"57525","Biorec003":"42825","Biorec004":"23893","Biorec005":"81215","Biorec006":"83987","Biorec007":"51445","MtdBlank001":"10738","MtdBlank002":"13062","MtdBlank003":"4840","MtdBlank004":"3322","MtdBlank005":"12417","MtdBlank006":"13329","MtdBlank007":"8219"},{"Metabolite":"Malonyl-L-carnitine","M438":"319293","M440":"336111","M447":"221414","M485":"100824","M487":"91610","M492":"95501","M499":"112742","M503":"61428","T515":"275859","T518":"125218","T520":"277474","T522":"70860","T524":"97623","T544":"156243","T545":"138184","T547":"274436","M500":"44524","M439":"94942","M441":"119454","M504":"90494","M483":"200078","M486":"236543","M540":"245212","M498":"56024","T519":"70131","T521":"110876","T523":"74617","T525":"35896","T527":"46702","T540":"117072","T542":"70146","T546":"82151","Biorec001":"1146","Biorec002":"940","Biorec003":"799","Biorec004":"433","Biorec005":"1249","Biorec006":"1964","Biorec007":"852","MtdBlank001":"70","MtdBlank002":"89","MtdBlank003":"80","MtdBlank004":"70","MtdBlank005":"93","MtdBlank006":"103","MtdBlank007":"77"},{"Metabolite":"Maltotriose","M438":"2209","M440":"3293","M447":"3824","M485":"3459","M487":"1932","M492":"3416","M499":"2989","M503":"2418","T515":"1420","T518":"3417","T520":"2841","T522":"2494","T524":"2561","T544":"2502","T545":"1789","T547":"2810","M500":"14702","M439":"5982","M441":"4602","M504":"6475","M483":"3577","M486":"4705","M540":"4343","M498":"4056","T519":"2702","T521":"6514","T523":"4705","T525":"3584","T527":"6549","T540":"3890","T542":"4039","T546":"5375","Biorec001":"33","Biorec002":"23","Biorec003":"38","Biorec004":"78","Biorec005":"119","Biorec006":"198","Biorec007":"121","MtdBlank001":"231","MtdBlank002":"190","MtdBlank003":"106","MtdBlank004":"95","MtdBlank005":"128","MtdBlank006":"191","MtdBlank007":"211"},{"Metabolite":"Mannose 6-phosphate","M438":"9716","M440":"13790","M447":"10474","M485":"7080","M487":"5793","M492":"7233","M499":"8567","M503":"6629","T515":"8582","T518":"6180","T520":"7268","T522":"8906","T524":"2550","T544":"4834","T545":"1498","T547":"4502","M500":"5596","M439":"3644","M441":"11642","M504":"12659","M483":"5127","M486":"42222","M540":"42518","M498":"7515","T519":"6617","T521":"19831","T523":"9546","T525":"3315","T527":"6603","T540":"9532","T542":"2166","T546":"9961","Biorec001":"97","Biorec002":"238","Biorec003":"476","Biorec004":"546","Biorec005":"1367","Biorec006":"1515","Biorec007":"1062","MtdBlank001":"133","MtdBlank002":"258","MtdBlank003":"140","MtdBlank004":"250","MtdBlank005":"213","MtdBlank006":"225","MtdBlank007":"297"},{"Metabolite":"Methionine","M438":"34435","M440":"29375","M447":"28033","M485":"15193","M487":"7864","M492":"14257","M499":"13998","M503":"17547","T515":"68313","T518":"15065","T520":"38298","T522":"8284","T524":"19133","T544":"24306","T545":"22801","T547":"44624","M500":"22487","M439":"15747","M441":"16496","M504":"31416","M483":"55710","M486":"32942","M540":"34664","M498":"6192","T519":"39005","T521":"52916","T523":"19157","T525":"11577","T527":"25962","T540":"35499","T542":"18884","T546":"9189","Biorec001":"12374","Biorec002":"10592","Biorec003":"6955","Biorec004":"4046","Biorec005":"13166","Biorec006":"11975","Biorec007":"6403","MtdBlank001":"348","MtdBlank002":"314","MtdBlank003":"131","MtdBlank004":"284","MtdBlank005":"527","MtdBlank006":"332","MtdBlank007":"284"},{"Metabolite":"Methioninesulfoxide","M438":"25417","M440":"16333","M447":"13643","M485":"7933","M487":"6547","M492":"4856","M499":"5485","M503":"7371","T515":"26181","T518":"4452","T520":"35605","T522":"3640","T524":"5408","T544":"14136","T545":"15576","T547":"14827","M500":"2813","M439":"4647","M441":"5006","M504":"6037","M483":"15425","M486":"18398","M540":"14649","M498":"2194","T519":"4411","T521":"13414","T523":"6322","T525":"3229","T527":"5046","T540":"11095","T542":"3314","T546":"2525","Biorec001":"10128","Biorec002":"10306","Biorec003":"6387","Biorec004":"2837","Biorec005":"11419","Biorec006":"14366","Biorec007":"8000","MtdBlank001":"124","MtdBlank002":"158","MtdBlank003":"70","MtdBlank004":"42","MtdBlank005":"116","MtdBlank006":"133","MtdBlank007":"94"},{"Metabolite":"Methyltestosterone","M438":"350","M440":"508","M447":"236","M485":"102","M487":"700","M492":"1005","M499":"1029","M503":"108","T515":"329","T518":"638","T520":"1004","T522":"97","T524":"141","T544":"170","T545":"874","T547":"101","M500":"1520","M439":"425","M441":"801","M504":"1298","M483":"478","M486":"148","M540":"131","M498":"62","T519":"1032","T521":"2342","T523":"1603","T525":"873","T527":"7905","T540":"941","T542":"953","T546":"5793","Biorec001":"11424","Biorec002":"13344","Biorec003":"15446","Biorec004":"14712","Biorec005":"6880","Biorec006":"8763","Biorec007":"13395","MtdBlank001":"123","MtdBlank002":"79","MtdBlank003":"86","MtdBlank004":"159","MtdBlank005":"68","MtdBlank006":"83","MtdBlank007":"45"},{"Metabolite":"myo-Inositol-3-phosphate","M438":"7237","M440":"11105","M447":"7627","M485":"3960","M487":"3879","M492":"4114","M499":"4916","M503":"3689","T515":"7098","T518":"3356","T520":"5100","T522":"5300","T524":"1366","T544":"3557","T545":"873","T547":"3335","M500":"2711","M439":"288","M441":"8002","M504":"7608","M483":"3625","M486":"36666","M540":"38177","M498":"4059","T519":"3906","T521":"14711","T523":"5937","T525":"1643","T527":"3822","T540":"6521","T542":"1312","T546":"6068","Biorec001":"78","Biorec002":"230","Biorec003":"285","Biorec004":"242","Biorec005":"1004","Biorec006":"1123","Biorec007":"621","MtdBlank001":"87","MtdBlank002":"96","MtdBlank003":"58","MtdBlank004":"61","MtdBlank005":"137","MtdBlank006":"165","MtdBlank007":"104"},{"Metabolite":"Myristoyl-L-carnitine","M438":"52499","M440":"54785","M447":"18996","M485":"129124","M487":"32992","M492":"155987","M499":"501794","M503":"41709","T515":"37227","T518":"256558","T520":"75361","T522":"784439","T524":"874937","T544":"38099","T545":"120030","T547":"64687","M500":"262912","M439":"117499","M441":"171522","M504":"43504","M483":"13395","M486":"14636","M540":"14251","M498":"68849","T519":"74216","T521":"31175","T523":"63576","T525":"384363","T527":"133985","T540":"16885","T542":"188521","T546":"254417","Biorec001":"2901","Biorec002":"3283","Biorec003":"4278","Biorec004":"5562","Biorec005":"2414","Biorec006":"2704","Biorec007":"4071","MtdBlank001":"3039","MtdBlank002":"2994","MtdBlank003":"2521","MtdBlank004":"2425","MtdBlank005":"2653","MtdBlank006":"2858","MtdBlank007":"2618"},{"Metabolite":"N-(3-(Aminomethyl)benzyl)acetamidine","M438":"2401","M440":"19712","M447":"21053","M485":"21012","M487":"47973","M492":"7345","M499":"9279","M503":"708","T515":"2653","T518":"546","T520":"3453","T522":"356","T524":"16426","T544":"9915","T545":"10448","T547":"2995","M500":"340","M439":"10383","M441":"5695","M504":"932","M483":"10520","M486":"2100","M540":"2874","M498":"370","T519":"11442","T521":"33763","T523":"6116","T525":"1239","T527":"6695","T540":"3410","T542":"1744","T546":"3875","Biorec001":"4772","Biorec002":"6408","Biorec003":"3918","Biorec004":"6064","Biorec005":"1373","Biorec006":"5269","Biorec007":"3405","MtdBlank001":"10957","MtdBlank002":"30293","MtdBlank003":"4028","MtdBlank004":"39817","MtdBlank005":"3352","MtdBlank006":"6184","MtdBlank007":"5230"},{"Metabolite":"N,N,N-trimethyllysine","M438":"172125","M440":"208661","M447":"179540","M485":"76311","M487":"169447","M492":"79828","M499":"66079","M503":"34370","T515":"239590","T518":"73534","T520":"500797","T522":"53037","T524":"76124","T544":"161005","T545":"174121","T547":"174452","M500":"55411","M439":"94603","M441":"86518","M504":"97190","M483":"226913","M486":"229506","M540":"225523","M498":"43247","T519":"71007","T521":"257544","T523":"163447","T525":"103612","T527":"158371","T540":"366142","T542":"136509","T546":"228844","Biorec001":"32243","Biorec002":"28141","Biorec003":"19716","Biorec004":"10138","Biorec005":"35749","Biorec006":"45072","Biorec007":"21816","MtdBlank001":"1515","MtdBlank002":"2119","MtdBlank003":"1272","MtdBlank004":"743","MtdBlank005":"1860","MtdBlank006":"3097","MtdBlank007":"1423"},{"Metabolite":"N,N-Diethyl-2-aminoethanol","M438":"1178","M440":"1112","M447":"1000","M485":"736","M487":"598","M492":"664","M499":"763","M503":"446","T515":"1490","T518":"731","T520":"1134","T522":"656","T524":"804","T544":"835","T545":"755","T547":"1528","M500":"1249","M439":"904","M441":"817","M504":"1209","M483":"1703","M486":"2581","M540":"1130","M498":"298","T519":"1378","T521":"1895","T523":"1200","T525":"683","T527":"1045","T540":"1289","T542":"1611","T546":"907","Biorec001":"779","Biorec002":"520","Biorec003":"610","Biorec004":"465","Biorec005":"464","Biorec006":"744","Biorec007":"351","MtdBlank001":"739","MtdBlank002":"795","MtdBlank003":"532","MtdBlank004":"547","MtdBlank005":"633","MtdBlank006":"572","MtdBlank007":"488"},{"Metabolite":"N,N-Dimethylarginine","M438":"56731","M440":"56109","M447":"42878","M485":"22458","M487":"26056","M492":"27637","M499":"20356","M503":"12824","T515":"89708","T518":"23818","T520":"50007","T522":"12739","T524":"17357","T544":"57744","T545":"29151","T547":"56611","M500":"21328","M439":"13883","M441":"12556","M504":"19062","M483":"41954","M486":"86732","M540":"50953","M498":"14382","T519":"18946","T521":"27866","T523":"18284","T525":"14231","T527":"19573","T540":"40887","T542":"11599","T546":"15188","Biorec001":"23837","Biorec002":"18684","Biorec003":"15233","Biorec004":"7612","Biorec005":"23503","Biorec006":"22419","Biorec007":"14566","MtdBlank001":"480","MtdBlank002":"563","MtdBlank003":"428","MtdBlank004":"231","MtdBlank005":"510","MtdBlank006":"692","MtdBlank007":"531"},{"Metabolite":"N-.alpha.-(tert-Butoxycarbonyl)-L-histidine","M438":"6726","M440":"7328","M447":"4811","M485":"2387","M487":"2738","M492":"2634","M499":"983","M503":"1794","T515":"9965","T518":"2421","T520":"5503","T522":"1037","T524":"2582","T544":"5842","T545":"3301","T547":"6698","M500":"1533","M439":"1921","M441":"1062","M504":"1032","M483":"4502","M486":"5951","M540":"4262","M498":"1218","T519":"2942","T521":"4095","T523":"3621","T525":"2035","T527":"2384","T540":"6145","T542":"10426","T546":"2743","Biorec001":"3313","Biorec002":"2728","Biorec003":"2179","Biorec004":"1737","Biorec005":"3942","Biorec006":"4055","Biorec007":"2759","MtdBlank001":"1092","MtdBlank002":"1092","MtdBlank003":"809","MtdBlank004":"822","MtdBlank005":"1011","MtdBlank006":"1103","MtdBlank007":"973"},{"Metabolite":"N.epsilon.-Methyl-L-lysine","M438":"14338","M440":"15468","M447":"12551","M485":"6421","M487":"9463","M492":"7101","M499":"6296","M503":"3280","T515":"16924","T518":"6880","T520":"17492","T522":"3948","T524":"3992","T544":"21248","T545":"7090","T547":"14852","M500":"3290","M439":"3347","M441":"3488","M504":"4573","M483":"11283","M486":"23285","M540":"16064","M498":"3664","T519":"4611","T521":"9109","T523":"6975","T525":"3436","T527":"4745","T540":"17344","T542":"6658","T546":"5888","Biorec001":"9123","Biorec002":"7874","Biorec003":"5625","Biorec004":"3059","Biorec005":"9730","Biorec006":"10107","Biorec007":"6076","MtdBlank001":"1535","MtdBlank002":"1818","MtdBlank003":"543","MtdBlank004":"963","MtdBlank005":"1913","MtdBlank006":"1482","MtdBlank007":"1022"},{"Metabolite":"N8-Acetylspermidine","M438":"6746","M440":"9597","M447":"5278","M485":"3276","M487":"2884","M492":"6375","M499":"3526","M503":"1254","T515":"50628","T518":"4102","T520":"10431","T522":"2670","T524":"3091","T544":"7608","T545":"10525","T547":"12914","M500":"4415","M439":"2743","M441":"3039","M504":"3957","M483":"14702","M486":"16619","M540":"14150","M498":"2059","T519":"6582","T521":"19296","T523":"5529","T525":"3322","T527":"20654","T540":"10095","T542":"3475","T546":"7254","Biorec001":"4701","Biorec002":"3740","Biorec003":"1086","Biorec004":"1424","Biorec005":"1666","Biorec006":"4891","Biorec007":"2561","MtdBlank001":"94","MtdBlank002":"128","MtdBlank003":"129","MtdBlank004":"69","MtdBlank005":"140","MtdBlank006":"162","MtdBlank007":"121"},{"Metabolite":"N-Acetyl-L-carnosine","M438":"506","M440":"566","M447":"317","M485":"116","M487":"133","M492":"177","M499":"116","M503":"53","T515":"584","T518":"132","T520":"348","T522":"99","T524":"135","T544":"305","T545":"184","T547":"370","M500":"92","M439":"92","M441":"122","M504":"118","M483":"348","M486":"606","M540":"249","M498":"47","T519":"178","T521":"261","T523":"214","T525":"143","T527":"188","T540":"476","T542":"303","T546":"191","Biorec001":"6201","Biorec002":"5237","Biorec003":"3490","Biorec004":"1627","Biorec005":"7807","Biorec006":"9602","Biorec007":"3932","MtdBlank001":"55","MtdBlank002":"44","MtdBlank003":"50","MtdBlank004":"43","MtdBlank005":"65","MtdBlank006":"72","MtdBlank007":"43"},{"Metabolite":"Nicotinamide","M438":"6008622","M440":"5690448","M447":"3128404","M485":"5008350","M487":"4024104","M492":"5505339","M499":"6307794","M503":"3968532","T515":"4519482","T518":"5926560","T520":"5616590","T522":"4879842","T524":"6283448","T544":"1633660","T545":"5202062","T547":"7349574","M500":"6905473","M439":"4880264","M441":"5457271","M504":"6445841","M483":"6510412","M486":"3662064","M540":"3122204","M498":"4528484","T519":"5785275","T521":"4375016","T523":"3813356","T525":"3228273","T527":"3851767","T540":"4313536","T542":"3740226","T546":"3546954","Biorec001":"31941","Biorec002":"25027","Biorec003":"13937","Biorec004":"13232","Biorec005":"12750","Biorec006":"13980","Biorec007":"22078","MtdBlank001":"15029","MtdBlank002":"9223","MtdBlank003":"8128","MtdBlank004":"7485","MtdBlank005":"7411","MtdBlank006":"9825","MtdBlank007":"7676"},{"Metabolite":"beta-Nicotinamide adenine dinucleotide hydrate","M438":"10162","M440":"21222","M447":"2922","M485":"2422","M487":"21859","M492":"1915","M499":"3136","M503":"6483","T515":"12370","T518":"1850","T520":"2338","T522":"21","T524":"5799","T544":"7774","T545":"6945","T547":"3001","M500":"3352","M439":"375","M441":"4960","M504":"4577","M483":"462","M486":"9448","M540":"4056","M498":"3246","T519":"3843","T521":"9923","T523":"12974","T525":"2927","T527":"3157","T540":"14572","T542":"6551","T546":"5052","Biorec001":"441","Biorec002":"2862","Biorec003":"3978","Biorec004":"4320","Biorec005":"4782","Biorec006":"6917","Biorec007":"1096","MtdBlank001":"220","MtdBlank002":"953","MtdBlank003":"1223","MtdBlank004":"673","MtdBlank005":"791","MtdBlank006":"1214","MtdBlank007":"464"},{"Metabolite":"beta-nicotinamide adenine dinucleotide","M438":"218479","M440":"161650","M447":"101522","M485":"39706","M487":"59202","M492":"47335","M499":"39651","M503":"33320","T515":"154151","T518":"58706","T520":"210359","T522":"28947","T524":"52580","T544":"134983","T545":"112239","T547":"165678","M500":"14061","M439":"14867","M441":"44467","M504":"25318","M483":"76845","M486":"120955","M540":"125787","M498":"22923","T519":"29266","T521":"41862","T523":"31622","T525":"18952","T527":"12383","T540":"59138","T542":"30586","T546":"28183","Biorec001":"635","Biorec002":"3754","Biorec003":"4510","Biorec004":"3948","Biorec005":"5033","Biorec006":"8420","Biorec007":"1623","MtdBlank001":"287","MtdBlank002":"1526","MtdBlank003":"1246","MtdBlank004":"1045","MtdBlank005":"1352","MtdBlank006":"2540","MtdBlank007":"591"},{"Metabolite":"Nicotinamide riboside","M438":"1668","M440":"1466","M447":"1204","M485":"540","M487":"360","M492":"605","M499":"741","M503":"362","T515":"2440","T518":"704","T520":"1270","T522":"407","T524":"737","T544":"1568","T545":"957","T547":"1849","M500":"690","M439":"267","M441":"574","M504":"597","M483":"2108","M486":"2320","M540":"2510","M498":"339","T519":"566","T521":"949","T523":"568","T525":"394","T527":"389","T540":"914","T542":"473","T546":"419","Biorec001":"100","Biorec002":"122","Biorec003":"78","Biorec004":"39","Biorec005":"128","Biorec006":"117","Biorec007":"66","MtdBlank001":"15","MtdBlank002":"14","MtdBlank003":"14","MtdBlank004":"9","MtdBlank005":"15","MtdBlank006":"14","MtdBlank007":"9"},{"Metabolite":"N-Methylisoleucine","M438":"694","M440":"821","M447":"997","M485":"311","M487":"736","M492":"991","M499":"410","M503":"430","T515":"1315","T518":"475","T520":"791","T522":"98","T524":"318","T544":"3890","T545":"521","T547":"1242","M500":"665","M439":"331","M441":"524","M504":"928","M483":"1989","M486":"3050","M540":"968","M498":"737","T519":"979","T521":"1451","T523":"577","T525":"509","T527":"651","T540":"3822","T542":"1961","T546":"728","Biorec001":"368","Biorec002":"307","Biorec003":"206","Biorec004":"153","Biorec005":"407","Biorec006":"374","Biorec007":"216","MtdBlank001":"88","MtdBlank002":"88","MtdBlank003":"78","MtdBlank004":"71","MtdBlank005":"78","MtdBlank006":"84","MtdBlank007":"71"},{"Metabolite":"N-Methylvaline","M438":"10359","M440":"10436","M447":"7761","M485":"2343","M487":"3303","M492":"6496","M499":"6102","M503":"1754","T515":"22876","T518":"4194","T520":"14557","T522":"2245","T524":"3540","T544":"21498","T545":"2657","T547":"16077","M500":"6731","M439":"2920","M441":"5400","M504":"10419","M483":"5716","M486":"11703","M540":"10180","M498":"2504","T519":"9393","T521":"14146","T523":"4873","T525":"6785","T527":"4559","T540":"16493","T542":"9129","T546":"2275","Biorec001":"13555","Biorec002":"11545","Biorec003":"8620","Biorec004":"4789","Biorec005":"14558","Biorec006":"15126","Biorec007":"8227","MtdBlank001":"259","MtdBlank002":"138","MtdBlank003":"119","MtdBlank004":"124","MtdBlank005":"196","MtdBlank006":"255","MtdBlank007":"178"},{"Metabolite":"Norleucine","M438":"10440","M440":"10741","M447":"11583","M485":"5430","M487":"5892","M492":"6543","M499":"6102","M503":"4324","T515":"22996","T518":"7224","T520":"14610","T522":"4177","T524":"6876","T544":"12740","T545":"11177","T547":"16086","M500":"6731","M439":"6898","M441":"6715","M504":"10510","M483":"18488","M486":"28422","M540":"19708","M498":"4401","T519":"9365","T521":"18699","T523":"11482","T525":"6827","T527":"13423","T540":"14991","T542":"9129","T546":"8851","Biorec001":"33466","Biorec002":"29397","Biorec003":"22902","Biorec004":"14806","Biorec005":"37162","Biorec006":"36061","Biorec007":"23555","MtdBlank001":"259","MtdBlank002":"138","MtdBlank003":"119","MtdBlank004":"123","MtdBlank005":"193","MtdBlank006":"255","MtdBlank007":"182"},{"Metabolite":"N-tert-Butoxycarbonyl-b-nornicotryine","M438":"5670","M440":"11916","M447":"3489","M485":"3980","M487":"3964","M492":"1790","M499":"2821","M503":"863","T515":"16735","T518":"1941","T520":"8066","T522":"2540","T524":"4074","T544":"7138","T545":"10708","T547":"14544","M500":"4208","M439":"3235","M441":"3517","M504":"3474","M483":"5807","M486":"9469","M540":"5843","M498":"1740","T519":"2910","T521":"4819","T523":"2953","T525":"2110","T527":"1741","T540":"5384","T542":"3154","T546":"2902","Biorec001":"101","Biorec002":"77","Biorec003":"71","Biorec004":"65","Biorec005":"81","Biorec006":"99","Biorec007":"82","MtdBlank001":"72","MtdBlank002":"99","MtdBlank003":"96","MtdBlank004":"71","MtdBlank005":"92","MtdBlank006":"98","MtdBlank007":"68"},{"Metabolite":"N-Tetracosenoyl-4-sphingenine","M438":"11315","M440":"7117","M447":"60434","M485":"12082","M487":"11703","M492":"14077","M499":"25222","M503":"12720","T515":"70074","T518":"15786","T520":"6560","T522":"22776","T524":"14039","T544":"166440","T545":"5726","T547":"32146","M500":"22251","M439":"9474","M441":"10349","M504":"21011","M483":"68512","M486":"75796","M540":"90019","M498":"22105","T519":"48317","T521":"41587","T523":"11566","T525":"27308","T527":"24335","T540":"33788","T542":"141017","T546":"27496","Biorec001":"1502","Biorec002":"3604","Biorec003":"8087","Biorec004":"18164","Biorec005":"58814","Biorec006":"2073","Biorec007":"9799","MtdBlank001":"604","MtdBlank002":"399","MtdBlank003":"2384","MtdBlank004":"3392","MtdBlank005":"20694","MtdBlank006":"398","MtdBlank007":"965"},{"Metabolite":"Nudifloramide","M438":"11320","M440":"6888","M447":"2708","M485":"6393","M487":"7244","M492":"3034","M499":"23071","M503":"1849","T515":"3551","T518":"9149","T520":"8249","T522":"8137","T524":"13177","T544":"1567","T545":"14598","T547":"14094","M500":"24544","M439":"4615","M441":"3136","M504":"11250","M483":"4206","M486":"3091","M540":"2776","M498":"9575","T519":"12209","T521":"14318","T523":"16739","T525":"17397","T527":"23742","T540":"10328","T542":"2197","T546":"14141","Biorec001":"169765","Biorec002":"127087","Biorec003":"134847","Biorec004":"83870","Biorec005":"124143","Biorec006":"166919","Biorec007":"116444","MtdBlank001":"774","MtdBlank002":"893","MtdBlank003":"718","MtdBlank004":"739","MtdBlank005":"697","MtdBlank006":"815","MtdBlank007":"708"},{"Metabolite":"Octanoylcarnitine","M438":"71379","M440":"82188","M447":"24888","M485":"38798","M487":"26739","M492":"68308","M499":"158443","M503":"25226","T515":"61118","T518":"124604","T520":"57087","T522":"119450","T524":"141339","T544":"13163","T545":"72209","T547":"118798","M500":"112838","M439":"34400","M441":"72680","M504":"49122","M483":"43162","M486":"35096","M540":"26116","M498":"50103","T519":"51623","T521":"31182","T523":"29960","T525":"39318","T527":"27101","T540":"22165","T542":"16035","T546":"49442","Biorec001":"3095","Biorec002":"2771","Biorec003":"3782","Biorec004":"4263","Biorec005":"2285","Biorec006":"2632","Biorec007":"3458","MtdBlank001":"231","MtdBlank002":"262","MtdBlank003":"186","MtdBlank004":"179","MtdBlank005":"393","MtdBlank006":"334","MtdBlank007":"235"},{"Metabolite":"Oleoyl-L-carnitine","M438":"224073","M440":"113948","M447":"71080","M485":"576264","M487":"105651","M492":"596457","M499":"4405191","M503":"332036","T515":"86830","T518":"1833728","T520":"213862","T522":"3767914","T524":"3362756","T544":"106318","T545":"282569","T547":"157200","M500":"1186941","M439":"41501","M441":"429079","M504":"202124","M483":"30180","M486":"24457","M540":"15630","M498":"462376","T519":"304521","T521":"317782","T523":"106828","T525":"1025534","T527":"397357","T540":"119590","T542":"567091","T546":"749505","Biorec001":"974","Biorec002":"6903","Biorec003":"1972","Biorec004":"16882","Biorec005":"252","Biorec006":"599","Biorec007":"10778","MtdBlank001":"117","MtdBlank002":"189","MtdBlank003":"250","MtdBlank004":"196","MtdBlank005":"111","MtdBlank006":"127","MtdBlank007":"314"},{"Metabolite":"Palatinose","M438":"5118","M440":"5991","M447":"5088","M485":"2182","M487":"2295","M492":"2265","M499":"2091","M503":"1765","T515":"6168","T518":"2346","T520":"4571","T522":"1819","T524":"1697","T544":"4936","T545":"2513","T547":"4801","M500":"4635","M439":"3166","M441":"2711","M504":"3190","M483":"4769","M486":"8090","M540":"9103","M498":"1522","T519":"1892","T521":"4249","T523":"3170","T525":"1481","T527":"3631","T540":"5608","T542":"2099","T546":"3049","Biorec001":"188","Biorec002":"362","Biorec003":"165","Biorec004":"100","Biorec005":"208","Biorec006":"271","Biorec007":"270","MtdBlank001":"136","MtdBlank002":"186","MtdBlank003":"113","MtdBlank004":"96","MtdBlank005":"89","MtdBlank006":"195","MtdBlank007":"144"},{"Metabolite":"Palmitoyl sphingomyelin","M438":"9966","M440":"8860","M447":"13977","M485":"19977","M487":"16358","M492":"20662","M499":"22186","M503":"17885","T515":"19789","T518":"16364","T520":"12413","T522":"20002","T524":"21110","T544":"30494","T545":"15062","T547":"18622","M500":"21024","M439":"15380","M441":"18422","M504":"22536","M483":"24127","M486":"18161","M540":"17965","M498":"22450","T519":"26990","T521":"17654","T523":"12192","T525":"20266","T527":"18368","T540":"17906","T542":"30089","T546":"21119","Biorec001":"13494","Biorec002":"20519","Biorec003":"20431","Biorec004":"26218","Biorec005":"28977","Biorec006":"11579","Biorec007":"27546","MtdBlank001":"92","MtdBlank002":"69","MtdBlank003":"184","MtdBlank004":"221","MtdBlank005":"16126","MtdBlank006":"320","MtdBlank007":"81"},{"Metabolite":"Palmitoylcarnitine","M438":"174566","M440":"136146","M447":"91107","M485":"441013","M487":"571872","M492":"472946","M499":"2998196","M503":"207169","T515":"132606","T518":"1225957","T520":"1030218","T522":"3786596","T524":"4249491","T544":"288412","T545":"1765136","T547":"642017","M500":"1250641","M439":"267652","M441":"441559","M504":"166464","M483":"118066","M486":"53997","M540":"30165","M498":"321721","T519":"280019","T521":"545041","T523":"1156826","T525":"1874275","T527":"677109","T540":"42261","T542":"800822","T546":"1158063","Biorec001":"1279","Biorec002":"1559","Biorec003":"2148","Biorec004":"11264","Biorec005":"552","Biorec006":"977","Biorec007":"9245","MtdBlank001":"512","MtdBlank002":"572","MtdBlank003":"777","MtdBlank004":"645","MtdBlank005":"595","MtdBlank006":"585","MtdBlank007":"730"},{"Metabolite":"Panthenol","M438":"1075","M440":"8474","M447":"765","M485":"4296","M487":"5079","M492":"992","M499":"2428","M503":"1221","T515":"281","T518":"6479","T520":"2056","T522":"1217","T524":"9078","T544":"2214","T545":"3649","T547":"948","M500":"4686","M439":"2917","M441":"3038","M504":"1667","M483":"3020","M486":"2804","M540":"1195","M498":"2248","T519":"5592","T521":"5411","T523":"4640","T525":"3744","T527":"2819","T540":"5211","T542":"2388","T546":"3331","Biorec001":"3503","Biorec002":"2490","Biorec003":"2674","Biorec004":"4527","Biorec005":"4378","Biorec006":"7762","Biorec007":"10187","MtdBlank001":"3896","MtdBlank002":"1531","MtdBlank003":"1571","MtdBlank004":"2227","MtdBlank005":"1614","MtdBlank006":"3317","MtdBlank007":"2508"},{"Metabolite":"Pantothenic acid","M438":"1682751","M440":"1573627","M447":"1261033","M485":"425578","M487":"452379","M492":"428413","M499":"211495","M503":"174733","T515":"2214883","T518":"433625","T520":"1275817","T522":"185628","T524":"383814","T544":"949834","T545":"970472","T547":"2111313","M500":"176114","M439":"386270","M441":"259892","M504":"283986","M483":"1418114","M486":"1760326","M540":"1083645","M498":"167478","T519":"257523","T521":"616797","T523":"455360","T525":"161493","T527":"197514","T540":"734137","T542":"142559","T546":"138118","Biorec001":"20536","Biorec002":"15183","Biorec003":"8899","Biorec004":"3173","Biorec005":"17701","Biorec006":"20622","Biorec007":"7934","MtdBlank001":"949","MtdBlank002":"829","MtdBlank003":"801","MtdBlank004":"813","MtdBlank005":"896","MtdBlank006":"957","MtdBlank007":"792"},{"Metabolite":"Phenylalanine","M438":"54489","M440":"62392","M447":"50482","M485":"28140","M487":"25612","M492":"36007","M499":"31129","M503":"27206","T515":"152276","T518":"39910","T520":"53304","T522":"25456","T524":"35731","T544":"55175","T545":"62014","T547":"92173","M500":"47749","M439":"31700","M441":"40005","M504":"52986","M483":"111881","M486":"121327","M540":"84260","M498":"21554","T519":"47000","T521":"72733","T523":"46182","T525":"32221","T527":"54790","T540":"69754","T542":"36634","T546":"32847","Biorec001":"92747","Biorec002":"76940","Biorec003":"64167","Biorec004":"38126","Biorec005":"95776","Biorec006":"92835","Biorec007":"63277","MtdBlank001":"832","MtdBlank002":"697","MtdBlank003":"672","MtdBlank004":"757","MtdBlank005":"750","MtdBlank006":"654","MtdBlank007":"628"},{"Metabolite":"Phosphocholine","M438":"85357","M440":"93440","M447":"86045","M485":"153832","M487":"29495","M492":"149700","M499":"189358","M503":"75504","T515":"113997","T518":"42206","T520":"77480","T522":"134363","T524":"139949","T544":"85433","T545":"44064","T547":"71588","M500":"46970","M439":"92624","M441":"129361","M504":"102800","M483":"67084","M486":"101883","M540":"106998","M498":"64081","T519":"131689","T521":"55808","T523":"39226","T525":"102721","T527":"193123","T540":"75816","T542":"199274","T546":"228013","Biorec001":"2484","Biorec002":"4714","Biorec003":"4862","Biorec004":"3068","Biorec005":"7556","Biorec006":"11020","Biorec007":"5069","MtdBlank001":"528","MtdBlank002":"795","MtdBlank003":"745","MtdBlank004":"696","MtdBlank005":"1037","MtdBlank006":"1074","MtdBlank007":"681"},{"Metabolite":"Pro-Gln","M438":"8278","M440":"13727","M447":"8189","M485":"3124","M487":"2795","M492":"2567","M499":"2442","M503":"1871","T515":"15569","T518":"4176","T520":"6814","T522":"1795","T524":"3473","T544":"10612","T545":"6531","T547":"9497","M500":"1243","M439":"1913","M441":"2094","M504":"2937","M483":"7356","M486":"10006","M540":"9437","M498":"1122","T519":"2303","T521":"3896","T523":"2703","T525":"1065","T527":"2491","T540":"5431","T542":"2064","T546":"2002","Biorec001":"124","Biorec002":"84","Biorec003":"99","Biorec004":"104","Biorec005":"114","Biorec006":"143","Biorec007":"183","MtdBlank001":"104","MtdBlank002":"104","MtdBlank003":"79","MtdBlank004":"83","MtdBlank005":"110","MtdBlank006":"98","MtdBlank007":"99"},{"Metabolite":"Proline","M438":"5073","M440":"4916","M447":"8147","M485":"5377","M487":"5348","M492":"4408","M499":"5121","M503":"5063","T515":"7657","T518":"3507","T520":"6371","T522":"3674","T524":"4682","T544":"9051","T545":"5780","T547":"10058","M500":"6312","M439":"4605","M441":"4034","M504":"11143","M483":"11897","M486":"8621","M540":"6264","M498":"3589","T519":"13473","T521":"15197","T523":"10409","T525":"6968","T527":"12485","T540":"14091","T542":"10005","T546":"6214","Biorec001":"21451","Biorec002":"20133","Biorec003":"16419","Biorec004":"12688","Biorec005":"21275","Biorec006":"23178","Biorec007":"17232","MtdBlank001":"210","MtdBlank002":"130","MtdBlank003":"153","MtdBlank004":"119","MtdBlank005":"154","MtdBlank006":"188","MtdBlank007":"161"},{"Metabolite":"Propionylcarnitine","M438":"1297755","M440":"965569","M447":"599872","M485":"294203","M487":"224588","M492":"362523","M499":"528681","M503":"192095","T515":"1474068","T518":"580394","T520":"912737","T522":"337448","T524":"533014","T544":"548644","T545":"532197","T547":"1549272","M500":"303736","M439":"289496","M441":"452120","M504":"435251","M483":"945647","M486":"1438645","M540":"845159","M498":"161339","T519":"310731","T521":"785340","T523":"355492","T525":"178844","T527":"285649","T540":"626367","T542":"306063","T546":"456058","Biorec001":"116233","Biorec002":"96069","Biorec003":"70656","Biorec004":"36995","Biorec005":"115287","Biorec006":"118476","Biorec007":"66359","MtdBlank001":"614","MtdBlank002":"485","MtdBlank003":"503","MtdBlank004":"490","MtdBlank005":"531","MtdBlank006":"635","MtdBlank007":"544"},{"Metabolite":"Pro-Pro","M438":"5107","M440":"7592","M447":"3370","M485":"1589","M487":"1411","M492":"1629","M499":"1425","M503":"778","T515":"11790","T518":"1796","T520":"2391","T522":"1170","T524":"2184","T544":"3887","T545":"3353","T547":"5713","M500":"1130","M439":"961","M441":"1158","M504":"1695","M483":"4694","M486":"6220","M540":"7006","M498":"803","T519":"921","T521":"2000","T523":"1686","T525":"992","T527":"1152","T540":"4023","T542":"812","T546":"1126","Biorec001":"197","Biorec002":"199","Biorec003":"163","Biorec004":"175","Biorec005":"206","Biorec006":"231","Biorec007":"194","MtdBlank001":"203","MtdBlank002":"205","MtdBlank003":"170","MtdBlank004":"206","MtdBlank005":"226","MtdBlank006":"215","MtdBlank007":"221"},{"Metabolite":"Protoporphyrin IX","M438":"4441","M440":"5076","M447":"6502","M485":"5658","M487":"14202","M492":"8000","M499":"8862","M503":"8600","T515":"9172","T518":"8081","T520":"6893","T522":"6297","T524":"6687","T544":"13836","T545":"5706","T547":"6195","M500":"9408","M439":"2032","M441":"6303","M504":"8327","M483":"8025","M486":"8107","M540":"5568","M498":"5548","T519":"7842","T521":"12140","T523":"6527","T525":"4985","T527":"9779","T540":"33381","T542":"15271","T546":"18066","Biorec001":"316","Biorec002":"434","Biorec003":"375","Biorec004":"286","Biorec005":"367","Biorec006":"628","Biorec007":"569","MtdBlank001":"183","MtdBlank002":"156","MtdBlank003":"141","MtdBlank004":"173","MtdBlank005":"157","MtdBlank006":"176","MtdBlank007":"188"},{"Metabolite":"Pyroglutamic acid","M438":"836879","M440":"783706","M447":"574458","M485":"310760","M487":"302702","M492":"352037","M499":"280685","M503":"203277","T515":"1098958","T518":"393786","T520":"650692","T522":"290758","T524":"349790","T544":"648752","T545":"413699","T547":"745491","M500":"241658","M439":"324686","M441":"312185","M504":"294200","M483":"608607","M486":"954280","M540":"746632","M498":"176774","T519":"316630","T521":"472611","T523":"354523","T525":"202810","T527":"214701","T540":"448008","T542":"196457","T546":"208306","Biorec001":"101320","Biorec002":"87857","Biorec003":"70547","Biorec004":"34976","Biorec005":"74626","Biorec006":"84463","Biorec007":"51540","MtdBlank001":"1155","MtdBlank002":"1558","MtdBlank003":"2054","MtdBlank004":"688","MtdBlank005":"1429","MtdBlank006":"1979","MtdBlank007":"1028"},{"Metabolite":"PyroGlu-Val-Lys","M438":"68152","M440":"52987","M447":"181","M485":"11478","M487":"130","M492":"111","M499":"14241","M503":"85","T515":"80029","T518":"142","T520":"139","T522":"111","T524":"21094","T544":"50872","T545":"38542","T547":"49209","M500":"7126","M439":"98","M441":"20513","M504":"138","M483":"48772","M486":"86603","M540":"53599","M498":"92","T519":"75","T521":"113","T523":"100","T525":"90","T527":"76","T540":"182","T542":"98","T546":"83","Biorec001":"18960","Biorec002":"18225","Biorec003":"10440","Biorec004":"5816","Biorec005":"19878","Biorec006":"22513","Biorec007":"11847","MtdBlank001":"102","MtdBlank002":"132","MtdBlank003":"101","MtdBlank004":"87","MtdBlank005":"105","MtdBlank006":"127","MtdBlank007":"98"},{"Metabolite":"Raffinose","M438":"1766","M440":"2933","M447":"2416","M485":"902","M487":"896","M492":"1114","M499":"795","M503":"666","T515":"2193","T518":"895","T520":"1633","T522":"772","T524":"623","T544":"1652","T545":"609","T547":"1555","M500":"3915","M439":"1468","M441":"1502","M504":"1923","M483":"1672","M486":"5057","M540":"10005","M498":"1011","T519":"738","T521":"3153","T523":"1866","T525":"961","T527":"2254","T540":"2559","T542":"1786","T546":"1994","Biorec001":"10","Biorec002":"20","Biorec003":"21","Biorec004":"50","Biorec005":"24","Biorec006":"139","Biorec007":"60","MtdBlank001":"116","MtdBlank002":"200","MtdBlank003":"25","MtdBlank004":"132","MtdBlank005":"274","MtdBlank006":"214","MtdBlank007":"146"},{"Metabolite":"Riboflavin","M438":"861","M440":"1086","M447":"506","M485":"658","M487":"484","M492":"638","M499":"434","M503":"511","T515":"2462","T518":"940","T520":"868","T522":"659","T524":"761","T544":"1515","T545":"956","T547":"1383","M500":"1033","M439":"249","M441":"396","M504":"1221","M483":"885","M486":"1098","M540":"1839","M498":"413","T519":"790","T521":"889","T523":"798","T525":"470","T527":"671","T540":"908","T542":"554","T546":"569","Biorec001":"90","Biorec002":"63","Biorec003":"62","Biorec004":"85","Biorec005":"152","Biorec006":"120","Biorec007":"94","MtdBlank001":"32","MtdBlank002":"30","MtdBlank003":"24","MtdBlank004":"32","MtdBlank005":"33","MtdBlank006":"32","MtdBlank007":"31"},{"Metabolite":"S-Adenosyl-L-homocysteine","M438":"12924","M440":"14334","M447":"10885","M485":"7586","M487":"4009","M492":"7776","M499":"7420","M503":"5089","T515":"21495","T518":"8460","T520":"10842","T522":"4052","T524":"7380","T544":"11924","T545":"8490","T547":"15804","M500":"5517","M439":"4254","M441":"7942","M504":"6204","M483":"16622","M486":"14246","M540":"13890","M498":"4440","T519":"7928","T521":"10211","T523":"6848","T525":"5303","T527":"7831","T540":"10280","T542":"4524","T546":"5403","Biorec001":"636","Biorec002":"581","Biorec003":"464","Biorec004":"290","Biorec005":"611","Biorec006":"713","Biorec007":"488","MtdBlank001":"43","MtdBlank002":"33","MtdBlank003":"40","MtdBlank004":"29","MtdBlank005":"34","MtdBlank006":"43","MtdBlank007":"39"},{"Metabolite":"S-Adenosyl-L-methionine","M438":"39696","M440":"31822","M447":"19570","M485":"7245","M487":"14523","M492":"7681","M499":"6389","M503":"3609","T515":"38125","T518":"8965","T520":"34522","T522":"5423","T524":"6910","T544":"22730","T545":"17090","T547":"31146","M500":"2918","M439":"5295","M441":"10390","M504":"6474","M483":"30043","M486":"33956","M540":"50460","M498":"3298","T519":"7839","T521":"19740","T523":"14876","T525":"4207","T527":"5512","T540":"20847","T542":"9364","T546":"7666","Biorec001":"485","Biorec002":"908","Biorec003":"861","Biorec004":"834","Biorec005":"1336","Biorec006":"2429","Biorec007":"1049","MtdBlank001":"408","MtdBlank002":"645","MtdBlank003":"270","MtdBlank004":"245","MtdBlank005":"706","MtdBlank006":"1086","MtdBlank007":"370"},{"Metabolite":"SDMA","M438":"56731","M440":"55454","M447":"42504","M485":"22283","M487":"26054","M492":"27472","M499":"20344","M503":"12635","T515":"89485","T518":"23599","T520":"50602","T522":"12739","T524":"17361","T544":"58006","T545":"29408","T547":"56583","M500":"21213","M439":"13883","M441":"12591","M504":"19145","M483":"42156","M486":"86732","M540":"50939","M498":"14360","T519":"18906","T521":"27737","T523":"18277","T525":"14375","T527":"19560","T540":"41240","T542":"11540","T546":"15586","Biorec001":"23803","Biorec002":"18671","Biorec003":"15431","Biorec004":"7353","Biorec005":"23503","Biorec006":"22427","Biorec007":"14680","MtdBlank001":"478","MtdBlank002":"563","MtdBlank003":"429","MtdBlank004":"231","MtdBlank005":"510","MtdBlank006":"692","MtdBlank007":"531"},{"Metabolite":"Serine","M438":"5305","M440":"2741","M447":"3694","M485":"1756","M487":"1327","M492":"1437","M499":"1520","M503":"1180","T515":"3969","T518":"1166","T520":"3088","T522":"869","T524":"1568","T544":"4246","T545":"3207","T547":"4876","M500":"1474","M439":"1410","M441":"1526","M504":"1763","M483":"5309","M486":"4892","M540":"2530","M498":"769","T519":"3922","T521":"4289","T523":"2792","T525":"1606","T527":"1897","T540":"6096","T542":"2432","T546":"1489","Biorec001":"1276","Biorec002":"993","Biorec003":"793","Biorec004":"371","Biorec005":"1347","Biorec006":"1416","Biorec007":"1020","MtdBlank001":"56","MtdBlank002":"48","MtdBlank003":"51","MtdBlank004":"33","MtdBlank005":"36","MtdBlank006":"28","MtdBlank007":"33"},{"Metabolite":"Serotonin","M438":"9028","M440":"8608","M447":"8589","M485":"7610","M487":"8289","M492":"5208","M499":"6161","M503":"9492","T515":"7646","T518":"6089","T520":"7800","T522":"6611","T524":"7062","T544":"5044","T545":"10538","T547":"8824","M500":"5930","M439":"8319","M441":"8001","M504":"5121","M483":"9422","M486":"17576","M540":"5852","M498":"4673","T519":"3667","T521":"8941","T523":"6058","T525":"4532","T527":"5036","T540":"6771","T542":"16321","T546":"4574","Biorec001":"44573","Biorec002":"43732","Biorec003":"45651","Biorec004":"32060","Biorec005":"36948","Biorec006":"48144","Biorec007":"39211","MtdBlank001":"8327","MtdBlank002":"6264","MtdBlank003":"5506","MtdBlank004":"5048","MtdBlank005":"6942","MtdBlank006":"7526","MtdBlank007":"7359"},{"Metabolite":"S-Lactoylglutathione","M438":"9219","M440":"4660","M447":"1555","M485":"1772","M487":"795","M492":"4217","M499":"2496","M503":"1013","T515":"7444","T518":"3378","T520":"766","T522":"1222","T524":"2203","T544":"2674","T545":"1263","T547":"7342","M500":"2280","M439":"699","M441":"2254","M504":"2603","M483":"7319","M486":"9483","M540":"11866","M498":"2091","T519":"7448","T521":"4426","T523":"2240","T525":"1137","T527":"2514","T540":"2413","T542":"1043","T546":"1270","Biorec001":"17","Biorec002":"8","Biorec003":"18","Biorec004":"61","Biorec005":"31","Biorec006":"120","Biorec007":"54","MtdBlank001":"6","MtdBlank002":"8","MtdBlank003":"5","MtdBlank004":"18","MtdBlank005":"18","MtdBlank006":"16","MtdBlank007":"14"},{"Metabolite":"Stachydrine","M438":"67497","M440":"113163","M447":"127007","M485":"47866","M487":"105544","M492":"61788","M499":"26304","M503":"27956","T515":"90849","T518":"68504","T520":"255422","T522":"32862","T524":"42596","T544":"283602","T545":"158099","T547":"321755","M500":"60720","M439":"52713","M441":"60112","M504":"74838","M483":"185910","M486":"287942","M540":"134078","M498":"36223","T519":"93656","T521":"303834","T523":"65166","T525":"48795","T527":"89579","T540":"146759","T542":"123851","T546":"153733","Biorec001":"1990411","Biorec002":"1730325","Biorec003":"1299508","Biorec004":"751509","Biorec005":"2145784","Biorec006":"2187566","Biorec007":"1231944","MtdBlank001":"2896","MtdBlank002":"760","MtdBlank003":"768","MtdBlank004":"906","MtdBlank005":"3634","MtdBlank006":"1261","MtdBlank007":"1711"},{"Metabolite":"Stearoyl-L-carnitine","M438":"93826","M440":"85560","M447":"85862","M485":"359643","M487":"504546","M492":"280225","M499":"1572959","M503":"244814","T515":"101289","T518":"686378","T520":"105731","T522":"1670626","T524":"1784801","T544":"313598","T545":"162145","T547":"86298","M500":"841804","M439":"185984","M441":"312846","M504":"141750","M483":"22987","M486":"79433","M540":"34867","M498":"292384","T519":"255233","T521":"330986","T523":"455227","T525":"875842","T527":"411476","T540":"203629","T542":"532275","T546":"716045","Biorec001":"452","Biorec002":"2315","Biorec003":"4356","Biorec004":"5898","Biorec005":"186","Biorec006":"399","Biorec007":"3750","MtdBlank001":"248","MtdBlank002":"254","MtdBlank003":"400","MtdBlank004":"277","MtdBlank005":"158","MtdBlank006":"356","MtdBlank007":"356"},{"Metabolite":"Succinic acid","M438":"7092","M440":"4344","M447":"1511","M485":"3793","M487":"2795","M492":"3745","M499":"4911","M503":"2148","T515":"3127","T518":"4606","T520":"4378","T522":"2635","T524":"4621","T544":"1088","T545":"5846","T547":"6584","M500":"5820","M439":"5505","M441":"5245","M504":"6575","M483":"4549","M486":"5973","M540":"3896","M498":"3446","T519":"3139","T521":"3586","T523":"2571","T525":"2237","T527":"2035","T540":"2653","T542":"704","T546":"2069","Biorec001":"27","Biorec002":"49","Biorec003":"50","Biorec004":"64","Biorec005":"61","Biorec006":"90","Biorec007":"63","MtdBlank001":"29","MtdBlank002":"31","MtdBlank003":"41","MtdBlank004":"56","MtdBlank005":"44","MtdBlank006":"37","MtdBlank007":"36"},{"Metabolite":"Sucrose","M438":"4598","M440":"6891","M447":"12907","M485":"10252","M487":"2898","M492":"10777","M499":"12904","M503":"6531","T515":"3701","T518":"9296","T520":"12304","T522":"4034","T524":"7278","T544":"6756","T545":"8745","T547":"10282","M500":"30405","M439":"27464","M441":"9154","M504":"17861","M483":"10892","M486":"8462","M540":"12625","M498":"8065","T519":"9068","T521":"11202","T523":"5715","T525":"10134","T527":"21764","T540":"8912","T542":"2244","T546":"11784","Biorec001":"948","Biorec002":"897","Biorec003":"1069","Biorec004":"568","Biorec005":"537","Biorec006":"504","Biorec007":"790","MtdBlank001":"826","MtdBlank002":"452","MtdBlank003":"444","MtdBlank004":"622","MtdBlank005":"369","MtdBlank006":"379","MtdBlank007":"1020"},{"Metabolite":"Taurocholic acid","M438":"54","M440":"70","M447":"112","M485":"860","M487":"123","M492":"694","M499":"2063","M503":"307","T515":"362","T518":"65","T520":"59","T522":"1129","T524":"54","T544":"9119","T545":"157","T547":"130","M500":"31184","M439":"52","M441":"37","M504":"27200","M483":"172","M486":"170","M540":"52","M498":"56","T519":"51","T521":"83","T523":"64","T525":"28","T527":"6088","T540":"420","T542":"710","T546":"108","Biorec001":"100","Biorec002":"92","Biorec003":"98","Biorec004":"61","Biorec005":"110","Biorec006":"111","Biorec007":"75","MtdBlank001":"29","MtdBlank002":"21","MtdBlank003":"19","MtdBlank004":"12","MtdBlank005":"27","MtdBlank006":"27","MtdBlank007":"25"},{"Metabolite":"Thiamine","M438":"11893","M440":"17058","M447":"15445","M485":"7137","M487":"6717","M492":"8590","M499":"10432","M503":"6083","T515":"32104","T518":"11387","T520":"13511","T522":"5193","T524":"8854","T544":"14788","T545":"9124","T547":"19349","M500":"9769","M439":"4996","M441":"8654","M504":"12521","M483":"24374","M486":"23070","M540":"12589","M498":"5772","T519":"11548","T521":"11939","T523":"11638","T525":"6687","T527":"10105","T540":"15452","T542":"7857","T546":"7590","Biorec001":"84","Biorec002":"92","Biorec003":"83","Biorec004":"107","Biorec005":"90","Biorec006":"87","Biorec007":"101","MtdBlank001":"115","MtdBlank002":"126","MtdBlank003":"95","MtdBlank004":"84","MtdBlank005":"75","MtdBlank006":"84","MtdBlank007":"99"},{"Metabolite":"Thiamine monophosphate","M438":"21622","M440":"24999","M447":"19532","M485":"5686","M487":"7767","M492":"6136","M499":"6063","M503":"4518","T515":"32358","T518":"7772","T520":"17968","T522":"4112","T524":"5758","T544":"17859","T545":"8736","T547":"18427","M500":"2799","M439":"2657","M441":"5221","M504":"5770","M483":"17389","M486":"25631","M540":"20463","M498":"3432","T519":"4995","T521":"8632","T523":"7423","T525":"2742","T527":"4156","T540":"11155","T542":"3920","T546":"4770","Biorec001":"290","Biorec002":"566","Biorec003":"480","Biorec004":"487","Biorec005":"729","Biorec006":"1363","Biorec007":"737","MtdBlank001":"113","MtdBlank002":"196","MtdBlank003":"144","MtdBlank004":"121","MtdBlank005":"179","MtdBlank006":"309","MtdBlank007":"197"},{"Metabolite":"Thionin","M438":"243803","M440":"263003","M447":"210177","M485":"75943","M487":"79931","M492":"83416","M499":"78404","M503":"70832","T515":"253789","T518":"104516","T520":"191618","T522":"63559","T524":"80119","T544":"218895","T545":"129076","T547":"207546","M500":"24100","M439":"40719","M441":"75510","M504":"65621","M483":"173589","M486":"204611","M540":"193473","M498":"45315","T519":"64677","T521":"95291","T523":"73061","T525":"37990","T527":"51771","T540":"110791","T542":"62779","T546":"59138","Biorec001":"887","Biorec002":"2810","Biorec003":"4077","Biorec004":"2961","Biorec005":"4805","Biorec006":"7493","Biorec007":"4298","MtdBlank001":"520","MtdBlank002":"620","MtdBlank003":"758","MtdBlank004":"570","MtdBlank005":"661","MtdBlank006":"786","MtdBlank007":"615"},{"Metabolite":"Threonine","M438":"4332","M440":"4817","M447":"5163","M485":"1366","M487":"1497","M492":"1376","M499":"769","M503":"3733","T515":"5964","T518":"1206","T520":"3900","T522":"3294","T524":"1078","T544":"5566","T545":"1728","T547":"4545","M500":"3995","M439":"5235","M441":"1235","M504":"1031","M483":"4413","M486":"6189","M540":"2885","M498":"2317","T519":"1639","T521":"2390","T523":"1637","T525":"4885","T527":"962","T540":"4540","T542":"1762","T546":"1113","Biorec001":"9954","Biorec002":"70","Biorec003":"100","Biorec004":"3479","Biorec005":"11674","Biorec006":"13063","Biorec007":"6892","MtdBlank001":"56","MtdBlank002":"66","MtdBlank003":"80","MtdBlank004":"94","MtdBlank005":"76","MtdBlank006":"123","MtdBlank007":"85"},{"Metabolite":"trehalose","M438":"8416","M440":"12721","M447":"10248","M485":"4316","M487":"3693","M492":"4819","M499":"4334","M503":"3183","T515":"10969","T518":"4023","T520":"8308","T522":"2939","T524":"3335","T544":"8062","T545":"4101","T547":"8596","M500":"10717","M439":"8323","M441":"5284","M504":"7357","M483":"8215","M486":"16152","M540":"19904","M498":"2848","T519":"3459","T521":"9206","T523":"6928","T525":"3097","T527":"8316","T540":"11608","T542":"4166","T546":"6195","Biorec001":"332","Biorec002":"362","Biorec003":"295","Biorec004":"196","Biorec005":"285","Biorec006":"466","Biorec007":"381","MtdBlank001":"284","MtdBlank002":"185","MtdBlank003":"183","MtdBlank004":"136","MtdBlank005":"210","MtdBlank006":"300","MtdBlank007":"268"},{"Metabolite":"Tri-2-ethylhexyl trimellitate","M438":"171","M440":"204","M447":"113","M485":"328","M487":"288","M492":"264","M499":"442","M503":"334","T515":"87","T518":"439","T520":"216","T522":"468","T524":"393","T544":"85","T545":"177","T547":"158","M500":"510","M439":"994","M441":"238","M504":"1268","M483":"141","M486":"118","M540":"89","M498":"417","T519":"247","T521":"217","T523":"265","T525":"308","T527":"877","T540":"199","T542":"268","T546":"626","Biorec001":"211","Biorec002":"249","Biorec003":"407","Biorec004":"158","Biorec005":"116","Biorec006":"205","Biorec007":"291","MtdBlank001":"268","MtdBlank002":"137","MtdBlank003":"333","MtdBlank004":"176","MtdBlank005":"116","MtdBlank006":"86","MtdBlank007":"167"},{"Metabolite":"Trigonelline","M438":"101962","M440":"116805","M447":"182227","M485":"55604","M487":"73126","M492":"67389","M499":"52328","M503":"44242","T515":"167599","T518":"79616","T520":"211681","T522":"12632","T524":"49500","T544":"290844","T545":"74020","T547":"183298","M500":"95035","M439":"68784","M441":"71644","M504":"111047","M483":"211247","M486":"230385","M540":"214145","M498":"44757","T519":"110911","T521":"176687","T523":"70228","T525":"63113","T527":"91005","T540":"254300","T542":"123956","T546":"55330","Biorec001":"35974","Biorec002":"32991","Biorec003":"24771","Biorec004":"15730","Biorec005":"36792","Biorec006":"41431","Biorec007":"21992","MtdBlank001":"657","MtdBlank002":"321","MtdBlank003":"300","MtdBlank004":"6424","MtdBlank005":"694","MtdBlank006":"1707","MtdBlank007":"540"},{"Metabolite":"Trimethylamine-N-oxide","M438":"11067","M440":"21316","M447":"10149","M485":"8942","M487":"5049","M492":"6539","M499":"7745","M503":"4443","T515":"7249","T518":"5261","T520":"13576","T522":"1095","T524":"5569","T544":"15423","T545":"15710","T547":"9433","M500":"9506","M439":"3549","M441":"12433","M504":"3614","M483":"7304","M486":"39607","M540":"17190","M498":"3804","T519":"4696","T521":"17617","T523":"13074","T525":"8831","T527":"11643","T540":"64051","T542":"5200","T546":"12304","Biorec001":"25951","Biorec002":"20481","Biorec003":"14344","Biorec004":"7974","Biorec005":"23073","Biorec006":"25315","Biorec007":"13544","MtdBlank001":"24","MtdBlank002":"17","MtdBlank003":"15","MtdBlank004":"14","MtdBlank005":"35","MtdBlank006":"29","MtdBlank007":"25"},{"Metabolite":"Tris(2-butoxyethyl) phosphate","M438":"5179","M440":"3855","M447":"2338","M485":"6799","M487":"9104","M492":"3244","M499":"20197","M503":"8276","T515":"1317","T518":"3498","T520":"1746","T522":"3903","T524":"29032","T544":"1246","T545":"10464","T547":"1864","M500":"3442","M439":"4080","M441":"2819","M504":"4904","M483":"2024","M486":"1756","M540":"735","M498":"5108","T519":"2683","T521":"3574","T523":"3078","T525":"5009","T527":"5059","T540":"19367","T542":"27945","T546":"7122","Biorec001":"2091","Biorec002":"2573","Biorec003":"3549","Biorec004":"6113","Biorec005":"570","Biorec006":"1579","Biorec007":"2321","MtdBlank001":"4659","MtdBlank002":"2523","MtdBlank003":"7618","MtdBlank004":"4537","MtdBlank005":"739","MtdBlank006":"3061","MtdBlank007":"6904"},{"Metabolite":"Tryptophan","M438":"18176","M440":"22873","M447":"18433","M485":"12746","M487":"14987","M492":"14922","M499":"16772","M503":"13993","T515":"38144","T518":"14919","T520":"17486","T522":"15385","T524":"17225","T544":"20531","T545":"20028","T547":"29419","M500":"20047","M439":"11017","M441":"19330","M504":"19346","M483":"32876","M486":"25494","M540":"24166","M498":"10639","T519":"18480","T521":"20673","T523":"19723","T525":"15573","T527":"19812","T540":"22652","T542":"23605","T546":"20671","Biorec001":"61038","Biorec002":"53261","Biorec003":"53610","Biorec004":"45026","Biorec005":"60158","Biorec006":"57297","Biorec007":"61592","MtdBlank001":"728","MtdBlank002":"660","MtdBlank003":"669","MtdBlank004":"620","MtdBlank005":"725","MtdBlank006":"703","MtdBlank007":"662"},{"Metabolite":"Turanose","M438":"2337","M440":"2828","M447":"1524","M485":"773","M487":"1777","M492":"1156","M499":"1097","M503":"7240","T515":"747","T518":"615","T520":"10456","T522":"559","T524":"826","T544":"1073","T545":"1392","T547":"2272","M500":"412","M439":"1865","M441":"914","M504":"4482","M483":"8285","M486":"5077","M540":"2214","M498":"454","T519":"772","T521":"2200","T523":"1250","T525":"984","T527":"1869","T540":"1703","T542":"2014","T546":"2929","Biorec001":"973","Biorec002":"1164","Biorec003":"888","Biorec004":"637","Biorec005":"988","Biorec006":"1086","Biorec007":"1165","MtdBlank001":"1112","MtdBlank002":"878","MtdBlank003":"544","MtdBlank004":"739","MtdBlank005":"570","MtdBlank006":"779","MtdBlank007":"736"},{"Metabolite":"Tyrosine","M438":"11122","M440":"11569","M447":"10434","M485":"4727","M487":"3946","M492":"5728","M499":"4368","M503":"5249","T515":"21515","T518":"6151","T520":"10333","T522":"4956","T524":"5746","T544":"12631","T545":"8745","T547":"14014","M500":"6569","M439":"4450","M441":"5125","M504":"9833","M483":"17800","M486":"15050","M540":"13158","M498":"3560","T519":"8150","T521":"14512","T523":"7376","T525":"5553","T527":"8417","T540":"11018","T542":"5860","T546":"5240","Biorec001":"17058","Biorec002":"15802","Biorec003":"11724","Biorec004":"5919","Biorec005":"18911","Biorec006":"18033","Biorec007":"10602","MtdBlank001":"568","MtdBlank002":"175","MtdBlank003":"121","MtdBlank004":"152","MtdBlank005":"164","MtdBlank006":"1165","MtdBlank007":"233"},{"Metabolite":"Uridine","M438":"3978","M440":"3902","M447":"5123","M485":"1862","M487":"1605","M492":"3269","M499":"2810","M503":"2320","T515":"5955","T518":"3480","T520":"3006","T522":"2119","T524":"2581","T544":"3909","T545":"2133","T547":"6321","M500":"5322","M439":"2668","M441":"2941","M504":"4849","M483":"6859","M486":"8297","M540":"6852","M498":"2598","T519":"2919","T521":"3392","T523":"3093","T525":"1726","T527":"2829","T540":"4085","T542":"1767","T546":"1767","Biorec001":"382","Biorec002":"320","Biorec003":"295","Biorec004":"172","Biorec005":"184","Biorec006":"432","Biorec007":"272","MtdBlank001":"79","MtdBlank002":"71","MtdBlank003":"81","MtdBlank004":"75","MtdBlank005":"42","MtdBlank006":"73","MtdBlank007":"67"},{"Metabolite":"Uridine 5''-monophosphate","M438":"38116","M440":"38427","M447":"30642","M485":"12262","M487":"8882","M492":"15541","M499":"13034","M503":"8695","T515":"39228","T518":"18101","T520":"29265","T522":"7578","T524":"10866","T544":"31730","T545":"14938","T547":"31905","M500":"6994","M439":"8714","M441":"14472","M504":"16700","M483":"32549","M486":"46181","M540":"16695","M498":"8023","T519":"14997","T521":"26837","T523":"14538","T525":"9303","T527":"18227","T540":"32327","T542":"10477","T546":"18926","Biorec001":"49","Biorec002":"79","Biorec003":"117","Biorec004":"128","Biorec005":"154","Biorec006":"295","Biorec007":"130","MtdBlank001":"86","MtdBlank002":"55","MtdBlank003":"47","MtdBlank004":"48","MtdBlank005":"64","MtdBlank006":"59","MtdBlank007":"56"},{"Metabolite":"Uridine-5-diphosphoacetylgalactosamine","M438":"4730","M440":"5599","M447":"1567","M485":"2252","M487":"12037","M492":"1290","M499":"1307","M503":"2506","T515":"7221","T518":"1245","T520":"647","T522":"36","T524":"2236","T544":"2806","T545":"1847","T547":"1124","M500":"1049","M439":"45","M441":"4632","M504":"1113","M483":"66","M486":"2990","M540":"1901","M498":"869","T519":"2130","T521":"1952","T523":"10254","T525":"1988","T527":"1124","T540":"4907","T542":"1680","T546":"2412","Biorec001":"155","Biorec002":"1064","Biorec003":"2212","Biorec004":"2486","Biorec005":"2238","Biorec006":"4451","Biorec007":"2259","MtdBlank001":"62","MtdBlank002":"158","MtdBlank003":"219","MtdBlank004":"244","MtdBlank005":"253","MtdBlank006":"615","MtdBlank007":"227"},{"Metabolite":"Uridine-5-diphosphoacetylglucosamine","M438":"46478","M440":"50706","M447":"37830","M485":"17658","M487":"24286","M492":"16919","M499":"14689","M503":"9847","T515":"44212","T518":"15001","T520":"50947","T522":"8018","T524":"14129","T544":"43208","T545":"21022","T547":"45127","M500":"6480","M439":"9951","M441":"19434","M504":"15282","M483":"44082","M486":"68332","M540":"55171","M498":"8800","T519":"18833","T521":"44046","T523":"33580","T525":"13430","T527":"28749","T540":"58622","T542":"19051","T546":"36355","Biorec001":"162","Biorec002":"1065","Biorec003":"1976","Biorec004":"2303","Biorec005":"1916","Biorec006":"3449","Biorec007":"2101","MtdBlank001":"44","MtdBlank002":"139","MtdBlank003":"236","MtdBlank004":"224","MtdBlank005":"181","MtdBlank006":"553","MtdBlank007":"202"},{"Metabolite":"Urocanic acid","M438":"12048","M440":"22168","M447":"6288","M485":"2787","M487":"5668","M492":"1884","M499":"1734","M503":"1368","T515":"11155","T518":"1550","T520":"14990","T522":"726","T524":"1680","T544":"4112","T545":"12490","T547":"13529","M500":"1150","M439":"5059","M441":"1793","M504":"1294","M483":"6822","M486":"11692","M540":"18741","M498":"794","T519":"1186","T521":"9591","T523":"11684","T525":"6784","T527":"2579","T540":"11154","T542":"1134","T546":"1202","Biorec001":"22719","Biorec002":"14304","Biorec003":"5368","Biorec004":"2170","Biorec005":"16586","Biorec006":"31026","Biorec007":"114015","MtdBlank001":"541","MtdBlank002":"505","MtdBlank003":"455","MtdBlank004":"450","MtdBlank005":"434","MtdBlank006":"474","MtdBlank007":"449"},{"Metabolite":"Val-Ser","M438":"1484","M440":"1430","M447":"1118","M485":"592","M487":"487","M492":"667","M499":"504","M503":"383","T515":"2058","T518":"638","T520":"930","T522":"442","T524":"478","T544":"1223","T545":"707","T547":"1700","M500":"412","M439":"651","M441":"822","M504":"597","M483":"1835","M486":"3157","M540":"2292","M498":"387","T519":"655","T521":"814","T523":"545","T525":"378","T527":"443","T540":"1300","T542":"544","T546":"488","Biorec001":"411","Biorec002":"521","Biorec003":"337","Biorec004":"355","Biorec005":"444","Biorec006":"484","Biorec007":"623","MtdBlank001":"809","MtdBlank002":"264","MtdBlank003":"288","MtdBlank004":"354","MtdBlank005":"418","MtdBlank006":"311","MtdBlank007":"316"},{"Metabolite":"Xanthine","M438":"8126","M440":"9544","M447":"7539","M485":"5610","M487":"3682","M492":"6250","M499":"7101","M503":"4651","T515":"16566","T518":"5937","T520":"7185","T522":"4161","T524":"6412","T544":"5137","T545":"8143","T547":"12521","M500":"10570","M439":"7322","M441":"6722","M504":"7380","M483":"14012","M486":"12691","M540":"9990","M498":"3498","T519":"6858","T521":"10696","T523":"9160","T525":"5902","T527":"8989","T540":"9020","T542":"3971","T546":"6742","Biorec001":"296","Biorec002":"189","Biorec003":"128","Biorec004":"73","Biorec005":"235","Biorec006":"206","Biorec007":"453","MtdBlank001":"25","MtdBlank002":"11","MtdBlank003":"14","MtdBlank004":"17","MtdBlank005":"36","MtdBlank006":"23","MtdBlank007":"12"}], "Metabolites":[{"Metabolite":"1_15N2-L-Arginine iSTD","Identifier":"9.24_177.11","HMDBID":"","LipidMAPS":"","KEGGID":"","PubChem CID":"","InChI Key":"","SMILES":"","Species":"[M+H]+","MSI Level":"1","ESI mode":"ESI (+)","m/z":"177.1116","RT":"9.24"},{"Metabolite":"1_CUDA iSTD","Identifier":"1.20_341.28","HMDBID":"","LipidMAPS":"","KEGGID":"","PubChem CID":"22978774","InChI Key":"HPTJABJPZMULFH-UHFFFAOYSA-N","SMILES":"C1CCC(CC1)NC(=O)NCCCCCCCCCCCC(=O)O","Species":"[M+H]+","MSI Level":"1","ESI mode":"ESI (+)","m/z":"341.28","RT":"1.2"},{"Metabolite":"1_D3-1-Methylnicotinamide iSTD","Identifier":"6.05_140.09","HMDBID":"","LipidMAPS":"","KEGGID":"","PubChem CID":"","InChI Key":"","SMILES":"","Species":"[M+H]+","MSI Level":"1","ESI mode":"ESI (+)","m/z":"140.0895","RT":"6.05"},{"Metabolite":"1_D3-AC(2:0) iSTD","Identifier":"7.02_207.14","HMDBID":"","LipidMAPS":"","KEGGID":"","PubChem CID":"71308983","InChI Key":"JATPLOXBFFRHDN-SPMMGKNWSA-N","SMILES":"[2H]C([2H])([2H])C(=O)O[C@H](CC(=O)O)C[N+](C)(C)C.[Cl-]","Species":"[M+H]+","MSI Level":"1","ESI mode":"ESI (+)","m/z":"207.1421","RT":"7.02"},{"Metabolite":"1_D3-Creatine iSTD","Identifier":"7.86_135.09","HMDBID":"","LipidMAPS":"","KEGGID":"","PubChem CID":"16213871","InChI Key":"MEJYXFHCRXAUIL-NIIDSAIPSA-N","SMILES":"[2H]C([2H])([2H])N(CC(=O)O)C(=N)N.O","Species":"[M+H]+","MSI Level":"1","ESI mode":"ESI (+)","m/z":"135.0948","RT":"7.86"},{"Metabolite":"1_D3-Creatinine iSTD","Identifier":"4.86_117.08","HMDBID":"","LipidMAPS":"","KEGGID":"","PubChem CID":"12205443","InChI Key":"DDRJAANPRJIHGJ-FIBGUPNXSA-N","SMILES":"[2H]C([2H])([2H])N1CC(=O)N=C1N","Species":"[M+H]+","MSI Level":"1","ESI mode":"ESI (+)","m/z":"117.0846","RT":"4.86"},{"Metabolite":"1_D3-DL-Alanine iSTD","Identifier":"7.89_93.07","HMDBID":"","LipidMAPS":"","KEGGID":"","PubChem CID":"16213421","InChI Key":"QNAYBMKLOCPYGJ-FIBGUPNXSA-N","SMILES":"[2H]C([2H])([2H])C(C(=O)O)N","Species":"[M+H]+","MSI Level":"1","ESI mode":"ESI (+)","m/z":"93.0728","RT":"7.89"},{"Metabolite":"1_D3-DL-Aspartic acid iSTD","Identifier":"8.99_137.06","HMDBID":"","LipidMAPS":"","KEGGID":"","PubChem CID":"46932124","InChI Key":"CKLJMWTZIZZHCS-FUDHJZNOSA-N","SMILES":"[2H]C([2H])(C(=O)O)C([2H])(C(=O)O)N","Species":"[M+H]+","MSI Level":"1","ESI mode":"ESI (+)","m/z":"137.0623","RT":"8.99"},{"Metabolite":"1_D3-DL-Glutamic acid iSTD","Identifier":"8.54_151.08","HMDBID":"","LipidMAPS":"","KEGGID":"","PubChem CID":"71309806","InChI Key":"WHUUTDBJXJRKMK-UHVFUKFASA-N","SMILES":"[2H]C([2H])(CC([2H])(C(=O)O)N)C(=O)O","Species":"[M+H]+","MSI Level":"1","ESI mode":"ESI (+)","m/z":"151.078","RT":"8.54"},{"Metabolite":"1_D3-Histamine, N-methyl- iSTD","Identifier":"7.19_129.12","HMDBID":"","LipidMAPS":"","KEGGID":"","PubChem CID":"","InChI Key":"","SMILES":"","Species":"[M+H]+","MSI Level":"1","ESI mode":"ESI (+)","m/z":"129.1202","RT":"7.19"},{"Metabolite":"1_D3-L-Carnitine iSTD","Identifier":"7.57_165.13","HMDBID":"","LipidMAPS":"","KEGGID":"","PubChem CID":"71309656","InChI Key":"JXXCENBLGFBQJM-QKBJTWEASA-N","SMILES":"[2H]C([2H])([2H])[N+](C)(C)C[C@@H](CC(=O)O)O.[Cl-]","Species":"[M+H]+","MSI Level":"1","ESI mode":"ESI (+)","m/z":"165.1305","RT":"7.57"},{"Metabolite":"1_D5-L-Glutamine iSTD","Identifier":"8.38_152.11","HMDBID":"","LipidMAPS":"","KEGGID":"","PubChem CID":"","InChI Key":"","SMILES":"","Species":"[M+H]+","MSI Level":"1","ESI mode":"ESI (+)","m/z":"152.107","RT":"8.38"},{"Metabolite":"1_D9-Betaine iSTD","Identifier":"7.04_127.14","HMDBID":"","LipidMAPS":"","KEGGID":"","PubChem CID":"16213877","InChI Key":"HOPSCVCBEOCPJZ-KYRNGWDOSA-N","SMILES":"[2H]C([2H])([2H])[N+](CC(=O)[O-])(C([2H])([2H])[2H])C([2H])([2H])[2H].Cl","Species":"[M+H]+","MSI Level":"1","ESI mode":"ESI (+)","m/z":"127.1425","RT":"7.04"},{"Metabolite":"1_D9-Butyrobetaine iSTD","Identifier":"7.58_155.17","HMDBID":"","LipidMAPS":"","KEGGID":"","PubChem CID":"","InChI Key":"","SMILES":"","Species":"[M+H]+","MSI Level":"1","ESI mode":"ESI (+)","m/z":"155.1738","RT":"7.58"},{"Metabolite":"1_D9-Caffeine iSTD","Identifier":"1.27_204.14","HMDBID":"","LipidMAPS":"","KEGGID":"","PubChem CID":"13001304","InChI Key":"RYYVLZVUVIJVGH-GQALSZNTSA-N","SMILES":"[2H]C([2H])([2H])N1C=NC2=C1C(=O)N(C(=O)N2C([2H])([2H])[2H])C([2H])([2H])[2H]","Species":"[M+H]+","MSI Level":"1","ESI mode":"ESI (+)","m/z":"204.1436","RT":"1.27"},{"Metabolite":"1_D9-Choline iSTD","Identifier":"5.09_113.16","HMDBID":"","LipidMAPS":"","KEGGID":"","PubChem CID":"16213539","InChI Key":"SGMZJAMFUVOLNK-KYRNGWDOSA-M","SMILES":"[2H]C([2H])([2H])[N+](CCO)(C([2H])([2H])[2H])C([2H])([2H])[2H].[Cl-]","Species":"[M+H]+","MSI Level":"1","ESI mode":"ESI (+)","m/z":"113.1632","RT":"5.09"},{"Metabolite":"1_D9-Crotonobetaine iSTD","Identifier":"7.61_153.16","HMDBID":"","LipidMAPS":"","KEGGID":"","PubChem CID":"","InChI Key":"","SMILES":"","Species":"[M+H]+","MSI Level":"1","ESI mode":"ESI (+)","m/z":"153.1579","RT":"7.61"},{"Metabolite":"1_D9-TMAO iSTD","Identifier":"5.36_85.13","HMDBID":"","LipidMAPS":"","KEGGID":"","PubChem CID":"71752814","InChI Key":"UYPYRKYUKCHHIB-GQALSZNTSA-N","SMILES":"[2H]C([2H])([2H])[N+](C([2H])([2H])[2H])(C([2H])([2H])[2H])[O-]","Species":"[M+H]+","MSI Level":"1","ESI mode":"ESI (+)","m/z":"85.1316","RT":"5.36"},{"Metabolite":"1_Val-Tyr-Val iSTD","Identifier":"6.67_380.22","HMDBID":"","LipidMAPS":"","KEGGID":"","PubChem CID":"7015709","InChI Key":"ZNGPROMGGGFOAA-JYJNAYRXSA-N","SMILES":"CC(C)[C@@H](C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H](C(C)C)C(=O)[O-])[NH3+]","Species":"[M+H]+","MSI Level":"1","ESI mode":"ESI (+)","m/z":"380.2178","RT":"6.67"},{"Metabolite":"(2R)-3-Hydroxyisovaleroylcarnitine","Identifier":"7.00_262.16","HMDBID":"","LipidMAPS":"","KEGGID":"","PubChem CID":"131668011","InChI Key":"IGLHHSKNBDXCEY-SECBINFHSA-N","SMILES":"CC(C)(CC(=O)O[C@H](CC(=O)[O-])C[N+](C)(C)C)O","Species":"[M+H]+","MSI Level":"2","ESI mode":"ESI (+)","m/z":"262.1636","RT":"7"},{"Metabolite":"(3-Carboxypropyl)trimethylammonium","Identifier":"7.55_146.12","HMDBID":"HMDB01161","LipidMAPS":"","KEGGID":"C01181","PubChem CID":"134","InChI Key":"JHPNVNIEXXLNTR-UHFFFAOYSA-O","SMILES":"C[N+](C)(C)CCCC(=O)O","Species":"[M+H]+","MSI Level":"2","ESI mode":"ESI (+)","m/z":"146.1164","RT":"7.55"},{"Metabolite":"(R)-Butyrylcarnitine","Identifier":"5.52_232.15","HMDBID":"HMDB0002013","LipidMAPS":"LMFA07070003","KEGGID":"","PubChem CID":"213144","InChI Key":"QWYFHHGCZUCMBN-SECBINFHSA-N","SMILES":"CCCC(=O)O[C@H](CC(=O)[O-])C[N+](C)(C)C","Species":"[M+H]+","MSI Level":"2","ESI mode":"ESI (+)","m/z":"232.1546","RT":"5.52"},{"Metabolite":"1,3-Dicyclohexylurea","Identifier":"1.09_225.20","HMDBID":"","LipidMAPS":"","KEGGID":"","PubChem CID":"4277","InChI Key":"ADFXKUOMJKEIND-UHFFFAOYSA-N","SMILES":"C1CCC(CC1)NC(=O)NC2CCCCC2","Species":"[M+H]+","MSI Level":"2","ESI mode":"ESI (+)","m/z":"225.1953","RT":"1.09"},{"Metabolite":"1-Methyladenosine","Identifier":"7.19_282.12","HMDBID":"HMDB0003331","LipidMAPS":"","KEGGID":"C02494","PubChem CID":"27476","InChI Key":"GFYLSDSUCHVORB-IOSLPCCCSA-N","SMILES":"CN1C=NC2=C(C1=N)N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O","Species":"[M+H]+","MSI Level":"1","ESI mode":"ESI (+)","m/z":"282.1186","RT":"7.19"},{"Metabolite":"1-Methylhistamine","Identifier":"7.17_126.10","HMDBID":"HMDB00898","LipidMAPS":"","KEGGID":"C05127","PubChem CID":"3614","InChI Key":"FHQDWPCFSJMNCT-UHFFFAOYSA-N","SMILES":"CN1C=C(N=C1)CCN","Species":"[M+H]+","MSI Level":"2","ESI mode":"ESI (+)","m/z":"126.1013","RT":"7.17"},{"Metabolite":"1-Methyl-L-histidine","Identifier":"8.97_170.09","HMDBID":"","LipidMAPS":"","KEGGID":"","PubChem CID":"352019","InChI Key":"BRMWTNUJHUMWMS-UHFFFAOYSA-N","SMILES":"CN1C=C(N=C1)CC(C(=O)O)N","Species":"[M+H]+","MSI Level":"2","ESI mode":"ESI (+)","m/z":"170.0913","RT":"8.97"},{"Metabolite":"1-Methylnicotinamide","Identifier":"6.05_137.07","HMDBID":"HMDB00699","LipidMAPS":"","KEGGID":"C02918","PubChem CID":"457","InChI Key":"LDHMAVIPBRSVRG-UHFFFAOYSA-O","SMILES":"C[N+]1=CC=CC(=C1)C(=O)N","Species":"[M+H]+","MSI Level":"3","ESI mode":"ESI (+)","m/z":"137.0696","RT":"6.05"},{"Metabolite":"1-Monostearin","Identifier":"1.06_359.32","HMDBID":"","LipidMAPS":"LMGL01010003","KEGGID":"D01947","PubChem CID":"24699","InChI Key":"VBICKXHEKHSIBG-UHFFFAOYSA-N","SMILES":"CCCCCCCCCCCCCCCCCC(=O)OCC(CO)O","Species":"[M+H]+","MSI Level":"3","ESI mode":"ESI (+)","m/z":"359.3159","RT":"1.06"},{"Metabolite":"2,2'',2''''-Nitrilotriethanol","Identifier":"6.45_150.11","HMDBID":"HMDB0032538","LipidMAPS":"","KEGGID":"C06771","PubChem CID":"7618","InChI Key":"GSEJCLTVZPLZKY-UHFFFAOYSA-N","SMILES":"C(CO)N(CCO)CCO","Species":"[M+H]+","MSI Level":"2","ESI mode":"ESI (+)","m/z":"150.1112","RT":"6.45"},{"Metabolite":"2,2-Bis[hydroxymethyl]-2,2'',2''''-nitrilotriethanol","Identifier":"6.72_210.13","HMDBID":"","LipidMAPS":"","KEGGID":"","PubChem CID":"81462","InChI Key":"OWMVSZAMULFTJU-UHFFFAOYSA-N","SMILES":"C(CO)N(CCO)C(CO)(CO)CO","Species":"[M+H]+","MSI Level":"2","ESI mode":"ESI (+)","m/z":"210.1313","RT":"6.72"},{"Metabolite":"2''-Deoxycytidine","Identifier":"5.85_228.10","HMDBID":"HMDB00014","LipidMAPS":"","KEGGID":"C00881","PubChem CID":"13711","InChI Key":"CKTSBUTUHBMZGZ-SHYZEUOFSA-N","SMILES":"C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)CO)O","Species":"[M+H]+","MSI Level":"1","ESI mode":"ESI (+)","m/z":"228.0965","RT":"5.85"},{"Metabolite":"2-Methylbutyryl-L-carnitine","Identifier":"5.15_246.17","HMDBID":"","LipidMAPS":"","KEGGID":"","PubChem CID":"9881339","InChI Key":"IHCPDBBYTYJYIL-QVDQXJPCSA-N","SMILES":"CCC(C)C(=O)O[C@H](CC(=O)[O-])C[N+](C)(C)C","Species":"[M+H]+","MSI Level":"2","ESI mode":"ESI (+)","m/z":"246.1695","RT":"5.15"},{"Metabolite":"2''-O-Methylcytidine","Identifier":"5.10_258.11","HMDBID":"","LipidMAPS":"","KEGGID":"","PubChem CID":"150971","InChI Key":"RFCQJGFZUQFYRF-ZOQUXTDFSA-N","SMILES":"CO[C@@H]1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)CO)O","Species":"[M+H]+","MSI Level":"3","ESI mode":"ESI (+)","m/z":"258.107","RT":"5.1"},{"Metabolite":"2-Palmitoylglycerol","Identifier":"1.07_331.28","HMDBID":"HMDB11533","LipidMAPS":"LMGL01010025","KEGGID":"","PubChem CID":"123409","InChI Key":"BBNYCLAREVXOSG-UHFFFAOYSA-N","SMILES":"CCCCCCCCCCCCCCCC(=O)OC(CO)CO","Species":"[M+H]+","MSI Level":"3","ESI mode":"ESI (+)","m/z":"331.2821","RT":"1.07"},{"Metabolite":"3-alpha.-Galactobiose","Identifier":"8.56_365.10","HMDBID":"","LipidMAPS":"","KEGGID":"","PubChem CID":"16219440","InChI Key":"QIGJYVCQYDKYDW-SDOYDPJRSA-N","SMILES":"C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O[C@H]2[C@H]([C@H](OC([C@@H]2O)O)CO)O)O)O)O)O","Species":"[M+Na]+","MSI Level":"2","ESI mode":"ESI (+)","m/z":"365.1039","RT":"8.56"},{"Metabolite":"3-Hydroxybutyrylcarnitine","Identifier":"7.38_248.15","HMDBID":"HMDB0062735","LipidMAPS":"","KEGGID":"","PubChem CID":"90659885","InChI Key":"UEFRDQSMQXDWTO-YGPZHTELSA-N","SMILES":"CC(CC(=O)O[C@H](CC(=O)[O-])C[N+](C)(C)C)O","Species":"[M+H]+","MSI Level":"2","ESI mode":"ESI (+)","m/z":"248.1497","RT":"7.38"},{"Metabolite":"3-Hydroxyhexadecanoylcarnitine","Identifier":"4.60_416.34","HMDBID":"","LipidMAPS":"","KEGGID":"","PubChem CID":"126456228","InChI Key":"XKAZIAFZAQAHHG-BPGUCPLFSA-N","SMILES":"CCCCCCCCCCCCCC(CC(=O)O[C@H](CC(=O)[O-])C[N+](C)(C)C)O","Species":"[M+H]+","MSI Level":"2","ESI mode":"ESI (+)","m/z":"416.3353","RT":"4.6"},{"Metabolite":"3-Hydroxyoleylcarnitine","Identifier":"4.49_442.35","HMDBID":"","LipidMAPS":"","KEGGID":"","PubChem CID":"131668118","InChI Key":"YBCVTTMMURGSEY-LMLDZDDJSA-N","SMILES":"CCCCCCCC/C=C\\CCCCCC(CC(=O)O[C@H](CC(=O)[O-])C[N+](C)(C)C)O","Species":"[M+H]+","MSI Level":"2","ESI mode":"ESI (+)","m/z":"442.3509","RT":"4.49"},{"Metabolite":"3-Methylglutarylcarnitine","Identifier":"5.41_290.16","HMDBID":"HMDB00552","LipidMAPS":"","KEGGID":"","PubChem CID":"128145","InChI Key":"HFCPFJNSBPQJDP-UHFFFAOYSA-N","SMILES":"CC(CC(=O)[O-])CC(=O)OC(CC(=O)O)C[N+](C)(C)C","Species":"[M+H]+","MSI Level":"2","ESI mode":"ESI (+)","m/z":"290.1585","RT":"5.41"},{"Metabolite":"3-Methyl-histidine","Identifier":"9.19_170.09","HMDBID":"HMDB00479","LipidMAPS":"","KEGGID":"C01152","PubChem CID":"64969","InChI Key":"JDHILDINMRGULE-LURJTMIESA-N","SMILES":"CN1C=NC=C1C[C@@H](C(=O)O)N","Species":"[M+H]+","MSI Level":"1","ESI mode":"ESI (+)","m/z":"170.0914","RT":"9.19"},{"Metabolite":"4-Guanidinobutyric acid","Identifier":"7.43_146.09","HMDBID":"HMDB03464","LipidMAPS":"","KEGGID":"C01035","PubChem CID":"500","InChI Key":"TUHVEAJXIMEOSA-UHFFFAOYSA-N","SMILES":"C(CC(=O)O)CN=C(N)N","Species":"[M+H]+","MSI Level":"3","ESI mode":"ESI (+)","m/z":"146.091","RT":"7.43"},{"Metabolite":"4H-3,1-Benzoxazin-4-one, 6-methyl-2-[(4-methylphenyl)amino]-","Identifier":"1.40_134.06","HMDBID":"","LipidMAPS":"","KEGGID":"","PubChem CID":"848487","InChI Key":"GFWNGVKCDGYFKG-UHFFFAOYSA-N","SMILES":"CC1=CC=C(C=C1)NC2=NC3=C(C=C(C=C3)C)C(=O)O2","Species":"[M+H]+","MSI Level":"2","ESI mode":"ESI (+)","m/z":"134.0588","RT":"1.4"},{"Metabolite":"4-Methyl-5-thiazoleethanol","Identifier":"6.65_144.05","HMDBID":"HMDB0032985","LipidMAPS":"","KEGGID":"C04294","PubChem CID":"1136","InChI Key":"BKAWJIRCKVUVED-UHFFFAOYSA-N","SMILES":"CC1=C(SC=N1)CCO","Species":"[M+H]+","MSI Level":"2","ESI mode":"ESI (+)","m/z":"144.0463","RT":"6.65"},{"Metabolite":"5.alpha.-Cholest-7-en-3.beta.-ol","Identifier":"1.02_369.35","HMDBID":"","LipidMAPS":"","KEGGID":"","PubChem CID":"91746543","InChI Key":"AUFYGLINRMYCDP-ONCBLKMLSA-N","SMILES":"CC(C)CCCC(C)C1CCC2C1(CCC3C2=CCC4C3(CCC(C4)O[Si](C)(C)C)C)C","Species":"[M+H-H2O]+","MSI Level":"2","ESI mode":"ESI (+)","m/z":"369.3508","RT":"1.02"},{"Metabolite":"5''-S-Methyl-5''-thioadenosine","Identifier":"2.47_298.10","HMDBID":"HMDB01173","LipidMAPS":"","KEGGID":"C00170","PubChem CID":"439176","InChI Key":"WUUGFSXJNOTRMR-IOSLPCCCSA-N","SMILES":"CSC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C2N=CN=C3N)O)O","Species":"[M+H]+","MSI Level":"2","ESI mode":"ESI (+)","m/z":"298.0959","RT":"2.47"},{"Metabolite":"7-Methyladenine","Identifier":"5.96_150.08","HMDBID":"HMDB11614","LipidMAPS":"","KEGGID":"C02241","PubChem CID":"71593","InChI Key":"HCGHYQLFMPXSDU-UHFFFAOYSA-N","SMILES":"CN1C=NC2=C1C(=NC=N2)N","Species":"[M+H]+","MSI Level":"2","ESI mode":"ESI (+)","m/z":"150.0759","RT":"5.96"},{"Metabolite":"7-Methylguanine","Identifier":"5.28_166.07","HMDBID":"HMDB00897","LipidMAPS":"","KEGGID":"C02242","PubChem CID":"135398679","InChI Key":"FZWGECJQACGGTI-UHFFFAOYSA-N","SMILES":"CN1C=NC2=C1C(=O)NC(=N2)N","Species":"[M+H]+","MSI Level":"2","ESI mode":"ESI (+)","m/z":"166.0707","RT":"5.28"},{"Metabolite":"8-Oxo-2-deoxyadenosine","Identifier":"5.13_268.11","HMDBID":"","LipidMAPS":"","KEGGID":"","PubChem CID":"124925","InChI Key":"NDWAUKFSFFRGLF-YRZWDFBDSA-N","SMILES":"C1[C@@H]([C@H](OC1N2C3=C(C(=NC=N3)N)NC2=O)CO)O","Species":"[M+H]+","MSI Level":"3","ESI mode":"ESI (+)","m/z":"268.1052","RT":"5.13"},{"Metabolite":"Acetyl coenzyme A","Identifier":"9.29_810.13","HMDBID":"HMDB01206","LipidMAPS":"LMFA07050281","KEGGID":"C00024","PubChem CID":"444493","InChI Key":"ZSLZBFCDCINBPY-ZSJPKINUSA-N","SMILES":"CC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)(O)O)O","Species":"[M+H]+","MSI Level":"2","ESI mode":"ESI (+)","m/z":"810.1297","RT":"9.29"},{"Metabolite":"Acetylcarnitine","Identifier":"6.98_204.12","HMDBID":"","LipidMAPS":"","KEGGID":"C02571","PubChem CID":"439756","InChI Key":"RDHQFKQIGNGIED-MRVPVSSYSA-O","SMILES":"CC(=O)O[C@H](CC(=O)O)C[N+](C)(C)C","Species":"[M]+","MSI Level":"1","ESI mode":"ESI (+)","m/z":"204.1234","RT":"6.98"},{"Metabolite":"Acetylcholine","Identifier":"3.06_146.12","HMDBID":"HMDB00895","LipidMAPS":"","KEGGID":"C01996","PubChem CID":"187","InChI Key":"OIPILFWXSMYKGL-UHFFFAOYSA-N","SMILES":"CC(=O)OCC[N+](C)(C)C","Species":"[M+H]+","MSI Level":"2","ESI mode":"ESI (+)","m/z":"146.1161","RT":"3.06"},{"Metabolite":"Adenine","Identifier":"4.62_136.06","HMDBID":"HMDB00034","LipidMAPS":"","KEGGID":"C00147","PubChem CID":"190","InChI Key":"GFFGJBXGBJISGV-UHFFFAOYSA-N","SMILES":"C1=NC2=C(N1)C(=NC=N2)N","Species":"[M+H]+","MSI Level":"1","ESI mode":"ESI (+)","m/z":"136.061","RT":"4.62"},{"Metabolite":"Adenosine","Identifier":"4.91_268.10","HMDBID":"HMDB00050","LipidMAPS":"","KEGGID":"C00212","PubChem CID":"60961","InChI Key":"OIRDTQYFTABQOQ-KQYNXXCUSA-N","SMILES":"C1=NC2=C(C(=N1)N)N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O","Species":"[M+H]+","MSI Level":"1","ESI mode":"ESI (+)","m/z":"268.1037","RT":"4.91"},{"Metabolite":"Adenosine 5''-diphosphate","Identifier":"9.88_428.03","HMDBID":"HMDB01341","LipidMAPS":"","KEGGID":"C00008","PubChem CID":"6022","InChI Key":"XTWYTFMLZFPYCI-KQYNXXCUSA-N","SMILES":"C1=NC2=C(C(=N1)N)N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)O)O)O","Species":"[M+H]+","MSI Level":"2","ESI mode":"ESI (+)","m/z":"428.0345","RT":"9.88"},{"Metabolite":"Adenosine 5''-diphosphoribose","Identifier":"9.62_560.08","HMDBID":"","LipidMAPS":"","KEGGID":"","PubChem CID":"33576","InChI Key":"SRNWOUGRCWSEMX-TYASJMOZSA-N","SMILES":"C1=NC2=C(C(=N1)N)N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H](C(O4)O)O)O)O)O","Species":"[M+H]+","MSI Level":"2","ESI mode":"ESI (+)","m/z":"560.0759","RT":"9.62"},{"Metabolite":"Adenosine 5''-monophosphate","Identifier":"8.79_370.05","HMDBID":"HMDB00045","LipidMAPS":"","KEGGID":"C00020","PubChem CID":"6083","InChI Key":"UDMBCSSLTHHNCD-KQYNXXCUSA-N","SMILES":"C1=NC2=C(C(=N1)N)N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O","Species":"[M+Na]+","MSI Level":"2","ESI mode":"ESI (+)","m/z":"370.0503","RT":"8.79"},{"Metabolite":"Adenosine-3-monophosphate","Identifier":"8.78_348.07","HMDBID":"HMDB03540","LipidMAPS":"","KEGGID":"C01367","PubChem CID":"41211","InChI Key":"LNQVTSROQXJCDD-KQYNXXCUSA-N","SMILES":"C1=NC2=C(C(=N1)N)N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)CO)OP(=O)(O)O)O","Species":"[M+H]+","MSI Level":"1","ESI mode":"ESI (+)","m/z":"348.0697","RT":"8.78"},{"Metabolite":"Adenylosuccinic acid","Identifier":"9.39_464.08","HMDBID":"HMDB00536","LipidMAPS":"","KEGGID":"","PubChem CID":"440122","InChI Key":"OFBHPPMPBOJXRT-DPXQIYNJSA-N","SMILES":"C1=NC2=C(C(=N1)NC(CC(=O)O)C(=O)O)N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O","Species":"[M+H]+","MSI Level":"2","ESI mode":"ESI (+)","m/z":"464.0791","RT":"9.39"},{"Metabolite":"Ala-Ala","Identifier":"8.12_161.09","HMDBID":"HMDB03459","LipidMAPS":"","KEGGID":"C00993","PubChem CID":"5460362","InChI Key":"DEFJQIDDEAULHB-QWWZWVQMSA-N","SMILES":"C[C@H](C(=O)N[C@H](C)C(=O)O)N","Species":"[M+H]+","MSI Level":"3","ESI mode":"ESI (+)","m/z":"161.0912","RT":"8.12"},{"Metabolite":"Ala-Gln","Identifier":"8.82_218.11","HMDBID":"","LipidMAPS":"","KEGGID":"","PubChem CID":"123935","InChI Key":"HJCMDXDYPOUFDY-WHFBIAKZSA-N","SMILES":"C[C@@H](C(=O)N[C@@H](CCC(=O)N)C(=O)O)N","Species":"[M+H]+","MSI Level":"2","ESI mode":"ESI (+)","m/z":"218.1119","RT":"8.82"},{"Metabolite":"Ala-Thr","Identifier":"8.47_191.10","HMDBID":"","LipidMAPS":"","KEGGID":"","PubChem CID":"6427004","InChI Key":"BUQICHWNXBIBOG-LMVFSUKVSA-N","SMILES":"C[C@H]([C@@H](C(=O)O)NC(=O)[C@H](C)N)O","Species":"[M+H]+","MSI Level":"2","ESI mode":"ESI (+)","m/z":"191.1012","RT":"8.47"},{"Metabolite":"alpha-Methylhistidine","Identifier":"8.76_170.09","HMDBID":"","LipidMAPS":"","KEGGID":"","PubChem CID":"4396761","InChI Key":"HRRYYCWYCMJNGA-UHFFFAOYSA-N","SMILES":"CC(CC1=CN=CN1)(C(=O)O)N","Species":"[M+H]+","MSI Level":"1","ESI mode":"ESI (+)","m/z":"170.0913","RT":"8.76"},{"Metabolite":"Anserine","Identifier":"9.28_241.13","HMDBID":"HMDB00194","LipidMAPS":"","KEGGID":"C01262","PubChem CID":"112072","InChI Key":"MYYIAHXIVFADCU-QMMMGPOBSA-N","SMILES":"CN1C=NC=C1C[C@@H](C(=O)O)NC(=O)CCN","Species":"[M+H]+","MSI Level":"1","ESI mode":"ESI (+)","m/z":"241.1292","RT":"9.28"},{"Metabolite":"Arabinofuranosyluracil 5''-monophosphate","Identifier":"8.89_369.00","HMDBID":"","LipidMAPS":"","KEGGID":"","PubChem CID":"18817","InChI Key":"DJJCXFVJDGTHFX-CCXZUQQUSA-N","SMILES":"C1=CN(C(=O)NC1=O)[C@H]2[C@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O","Species":"[M-H+2Na]+","MSI Level":"2","ESI mode":"ESI (+)","m/z":"369.0049","RT":"8.89"},{"Metabolite":"Arginine","Identifier":"9.23_175.12","HMDBID":"HMDB00517","LipidMAPS":"","KEGGID":"C00062","PubChem CID":"6322","InChI Key":"ODKSFYDXXFIFQN-BYPYZUCNSA-N","SMILES":"C(C[C@@H](C(=O)O)N)CN=C(N)N","Species":"[M+H]+","MSI Level":"1","ESI mode":"ESI (+)","m/z":"175.1187","RT":"9.23"},{"Metabolite":"Aspartic acid","Identifier":"8.99_134.04","HMDBID":"HMDB00191","LipidMAPS":"","KEGGID":"C00049","PubChem CID":"5960","InChI Key":"CKLJMWTZIZZHCS-REOHCLBHSA-N","SMILES":"C([C@@H](C(=O)O)N)C(=O)O","Species":"[M+H]+","MSI Level":"1","ESI mode":"ESI (+)","m/z":"134.0436","RT":"8.99"},{"Metabolite":"Benzyldimethylstearylammonium","Identifier":"1.52_360.36","HMDBID":"","LipidMAPS":"","KEGGID":"","PubChem CID":"31205","InChI Key":"FWLORMQUOWCQPO-UHFFFAOYSA-N","SMILES":"CCCCCCCCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1","Species":"[M+H]+","MSI Level":"2","ESI mode":"ESI (+)","m/z":"360.3607","RT":"1.52"},{"Metabolite":"Betaine","Identifier":"7.03_118.09","HMDBID":"HMDB00043","LipidMAPS":"","KEGGID":"C00719","PubChem CID":"247","InChI Key":"KWIUHFFTVRNATP-UHFFFAOYSA-N","SMILES":"C[N+](C)(C)CC(=O)[O-]","Species":"[M+H]+","MSI Level":"1","ESI mode":"ESI (+)","m/z":"118.0864","RT":"7.03"},{"Metabolite":"Carnitine","Identifier":"7.57_162.11","HMDBID":"HMDB0000062","LipidMAPS":"","KEGGID":"C00318","PubChem CID":"10917","InChI Key":"PHIQHXFUZVPYII-ZCFIWIBFSA-N","SMILES":"C[N+](C)(C)C[C@@H](CC(=O)[O-])O","Species":"[M+H]+","MSI Level":"1","ESI mode":"ESI (+)","m/z":"162.1126","RT":"7.57"},{"Metabolite":"Carnosine","Identifier":"9.32_227.11_9.32_210.09","HMDBID":"HMDB00033","LipidMAPS":"","KEGGID":"C00386","PubChem CID":"439224","InChI Key":"CQOVPNPJLQNMDC-ZETCQYMHSA-N","SMILES":"C1=C(NC=N1)C[C@@H](C(=O)O)NC(=O)CCN","Species":"[M+H]+_[M+H-NH3]+","MSI Level":"1","ESI mode":"ESI (+)","m/z":"227.1135_210.0865","RT":"9.32"},{"Metabolite":"Choline","Identifier":"5.10_104.11","HMDBID":"HMDB00097","LipidMAPS":"","KEGGID":"C00114","PubChem CID":"305","InChI Key":"OEYIOHPDSNJKLS-UHFFFAOYSA-N","SMILES":"C[N+](C)(C)CCO","Species":"[Cat]+","MSI Level":"2","ESI mode":"ESI (+)","m/z":"104.107","RT":"5.1"},{"Metabolite":"Citrulline","Identifier":"8.61_176.10_8.61_159.08","HMDBID":"HMDB00904","LipidMAPS":"","KEGGID":"C00327","PubChem CID":"9750","InChI Key":"RHGKLRLOHDJJDR-BYPYZUCNSA-N","SMILES":"C(C[C@@H](C(=O)O)N)CNC(=O)N","Species":"[M+H]+_[M+H-NH3]+","MSI Level":"1","ESI mode":"ESI (+)","m/z":"176.1023_159.0756","RT":"8.61"},{"Metabolite":"Cocamidopropyl Betaine","Identifier":"4.75_343.29","HMDBID":"","LipidMAPS":"","KEGGID":"","PubChem CID":"20280","InChI Key":"MRUAUOIMASANKQ-UHFFFAOYSA-N","SMILES":"CCCCCCCCCCCC(=O)NCCC[N+](C)(C)CC(=O)[O-]","Species":"[M+H]+","MSI Level":"2","ESI mode":"ESI (+)","m/z":"343.2935","RT":"4.75"},{"Metabolite":"Corticosterone","Identifier":"1.24_347.22","HMDBID":"HMDB01547","LipidMAPS":"LMST02030186","KEGGID":"C02140","PubChem CID":"5753","InChI Key":"OMFXVFTZEKFJBZ-HJTSIMOOSA-N","SMILES":"C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@@H]4C(=O)CO)C)O","Species":"[M+H]+","MSI Level":"3","ESI mode":"ESI (+)","m/z":"347.2197","RT":"1.24"},{"Metabolite":"Creatine","Identifier":"7.86_132.08","HMDBID":"HMDB00064","LipidMAPS":"","KEGGID":"C00300","PubChem CID":"586","InChI Key":"CVSVTCORWBXHQV-UHFFFAOYSA-N","SMILES":"CN(CC(=O)O)C(=N)N","Species":"[M+H]+","MSI Level":"2","ESI mode":"ESI (+)","m/z":"132.0767","RT":"7.86"},{"Metabolite":"Creatinine","Identifier":"4.85_114.07","HMDBID":"HMDB00562","LipidMAPS":"","KEGGID":"C00791","PubChem CID":"588","InChI Key":"DDRJAANPRJIHGJ-UHFFFAOYSA-N","SMILES":"CN1CC(=O)N=C1N","Species":"[M+H]+","MSI Level":"1","ESI mode":"ESI (+)","m/z":"114.0663","RT":"4.85"},{"Metabolite":"Cytidine","Identifier":"6.73_266.07_6.73_244.09","HMDBID":"HMDB00089","LipidMAPS":"","KEGGID":"C00475","PubChem CID":"6175","InChI Key":"UHDGCWIWMRVCDJ-XVFCMESISA-N","SMILES":"C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O","Species":"[M+H]+_[M+Na]+_[2M+H]+","MSI Level":"1","ESI mode":"ESI (+)","m/z":"266.0736_244.0918","RT":"6.73"},{"Metabolite":"Cytidine 5''-diphosphate ethanolamine","Identifier":"9.66_447.07","HMDBID":"HMDB01564","LipidMAPS":"","KEGGID":"C00570","PubChem CID":"123727","InChI Key":"WVIMUEUQJFPNDK-PEBGCTIMSA-N","SMILES":"C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OCCN)O)O","Species":"[M+H]+","MSI Level":"2","ESI mode":"ESI (+)","m/z":"447.0651","RT":"9.66"},{"Metabolite":"Cytidine 5''-diphosphocholine","Identifier":"9.61_511.09_9.61_489.11","HMDBID":"HMDB01413","LipidMAPS":"","KEGGID":"C00307","PubChem CID":"13804","InChI Key":"RZZPDXZPRHQOCG-OJAKKHQRSA-N","SMILES":"C[N+](C)(C)CCOP(=O)([O-])OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=CC(=NC2=O)N)O)O","Species":"[M+H]+_[M+Na]+","MSI Level":"2","ESI mode":"ESI (+)","m/z":"511.0936_489.1129","RT":"9.61"},{"Metabolite":"Decanoyl-L-carnitine","Identifier":"3.97_316.25","HMDBID":"HMDB0062631","LipidMAPS":"LMFA07070006","KEGGID":"C03299","PubChem CID":"11953821","InChI Key":"LZOSYCMHQXPBFU-OAHLLOKOSA-N","SMILES":"CCCCCCCCCC(=O)O[C@H](CC(=O)[O-])C[N+](C)(C)C","Species":"[M+H]+","MSI Level":"2","ESI mode":"ESI (+)","m/z":"316.2468","RT":"3.97"},{"Metabolite":"Ethylhexadecyldimethylammonium","Identifier":"1.53_298.35","HMDBID":"","LipidMAPS":"","KEGGID":"","PubChem CID":"31281","InChI Key":"VCAVAURZPNANDQ-UHFFFAOYSA-N","SMILES":"CCCCCCCCCCCCCCCC[N+](C)(C)CC","Species":"[M+H]+","MSI Level":"2","ESI mode":"ESI (+)","m/z":"298.3453","RT":"1.53"},{"Metabolite":"Flavin-adenine-dinucleotide","Identifier":"9.36_786.16","HMDBID":"HMDB01248","LipidMAPS":"","KEGGID":"C00016","PubChem CID":"643975","InChI Key":"VWWQXMAJTJZDQX-UYBVJOGSSA-N","SMILES":"CC1=CC2=C(C=C1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=NC6=C5N=CN=C6N)O)O)O)O)O","Species":"[M+H]+","MSI Level":"1","ESI mode":"ESI (+)","m/z":"786.1622","RT":"9.36"},{"Metabolite":"Flavine mononucleotide","Identifier":"8.44_457.11","HMDBID":"HMDB01520","LipidMAPS":"","KEGGID":"C00061","PubChem CID":"643976","InChI Key":"FVTCRASFADXXNN-SCRDCRAPSA-N","SMILES":"CC1=CC2=C(C=C1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O","Species":"[M+H]+","MSI Level":"2","ESI mode":"ESI (+)","m/z":"457.1096","RT":"8.44"},{"Metabolite":"Fructose","Identifier":"7.61_203.05","HMDBID":"HMDB0062538","LipidMAPS":"","KEGGID":"C10906","PubChem CID":"5984","InChI Key":"BJHIKXHVCXFQLS-UYFOZJQFSA-N","SMILES":"C([C@H]([C@H]([C@@H](C(=O)CO)O)O)O)O","Species":"[M+Na]+","MSI Level":"3","ESI mode":"ESI (+)","m/z":"203.0511","RT":"7.61"},{"Metabolite":"Galacto-N-biose","Identifier":"8.23_406.13","HMDBID":"","LipidMAPS":"","KEGGID":"C07278","PubChem CID":"441248","InChI Key":"HMQPEDMEOBLSQB-UITYFYQISA-N","SMILES":"CC(=O)N[C@@H]1[C@H]([C@H]([C@H](OC1O)CO)O)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O","Species":"[M+Na]+","MSI Level":"2","ESI mode":"ESI (+)","m/z":"406.1294","RT":"8.23"},{"Metabolite":"gamma-Glutamylleucine","Identifier":"7.77_261.14","HMDBID":"HMDB0011171","LipidMAPS":"","KEGGID":"","PubChem CID":"151023","InChI Key":"MYFMARDICOWMQP-YUMQZZPRSA-N","SMILES":"CC(C)C[C@@H](C(=O)O)NC(=O)CC[C@@H](C(=O)O)N","Species":"[M+H]+","MSI Level":"3","ESI mode":"ESI (+)","m/z":"261.1437","RT":"7.77"},{"Metabolite":"Glucose 1-phosphate","Identifier":"9.46_283.02","HMDBID":"HMDB01586","LipidMAPS":"","KEGGID":"","PubChem CID":"439165","InChI Key":"HXXFSFRBOHSIMQ-GASJEMHNSA-N","SMILES":"C([C@@H]1[C@H]([C@@H]([C@H](C(O1)OP(=O)(O)O)O)O)O)O","Species":"[M+H]+","MSI Level":"2","ESI mode":"ESI (+)","m/z":"283.0176","RT":"9.46"},{"Metabolite":"Glutamic acid","Identifier":"8.55_148.06","HMDBID":"HMDB00148","LipidMAPS":"","KEGGID":"C00025","PubChem CID":"33032","InChI Key":"WHUUTDBJXJRKMK-VKHMYHEASA-N","SMILES":"C(CC(=O)O)[C@@H](C(=O)O)N","Species":"[M+H]+","MSI Level":"1","ESI mode":"ESI (+)","m/z":"148.0599","RT":"8.55"},{"Metabolite":"Glutamine","Identifier":"8.33_147.07","HMDBID":"","LipidMAPS":"","KEGGID":"C00303","PubChem CID":"738","InChI Key":"ZDXPYRJPNDTMRX-UHFFFAOYSA-N","SMILES":"C(CC(=O)N)C(C(=O)O)N","Species":"[M+H]+","MSI Level":"3","ESI mode":"ESI (+)","m/z":"147.0747","RT":"8.33"},{"Metabolite":"Glutathione (oxidized)","Identifier":"9.93_613.16","HMDBID":"","LipidMAPS":"","KEGGID":"C00127","PubChem CID":"65359","InChI Key":"YPZRWBKMTBYPTK-BJDJZHNGSA-N","SMILES":"C(CC(=O)N[C@@H](CSSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)C(=O)NCC(=O)O)[C@@H](C(=O)O)N","Species":"[M+H]+","MSI Level":"1","ESI mode":"ESI (+)","m/z":"613.1575","RT":"9.93"},{"Metabolite":"Glutathione (reduced)","Identifier":"8.83_308.09","HMDBID":"HMDB00125","LipidMAPS":"","KEGGID":"C00051","PubChem CID":"124886","InChI Key":"RWSXRVCMGQZWBV-WDSKDSINSA-N","SMILES":"C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N","Species":"[M+H]+","MSI Level":"1","ESI mode":"ESI (+)","m/z":"308.0896","RT":"8.83"},{"Metabolite":"Guanine","Identifier":"6.28_152.06","HMDBID":"HMDB00132","LipidMAPS":"","KEGGID":"C00242","PubChem CID":"135398634","InChI Key":"UYTPUPDQBNUYGX-UHFFFAOYSA-N","SMILES":"C1=NC2=C(N1)C(=O)NC(=N2)N","Species":"[M+H]+","MSI Level":"3","ESI mode":"ESI (+)","m/z":"152.0553","RT":"6.28"},{"Metabolite":"Guanosine","Identifier":"6.99_284.10","HMDBID":"HMDB00133","LipidMAPS":"","KEGGID":"C00387","PubChem CID":"135398635","InChI Key":"NYHBQMYGNKIUIF-UUOKFMHZSA-N","SMILES":"C1=NC2=C(N1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N=C(NC2=O)N","Species":"[M+H]+","MSI Level":"1","ESI mode":"ESI (+)","m/z":"284.0972","RT":"6.99"},{"Metabolite":"Guanosine 5''-monophosphate","Identifier":"9.38_364.06_9.35_386.05","HMDBID":"HMDB01397","LipidMAPS":"","KEGGID":"C00144","PubChem CID":"135398631","InChI Key":"RQFCJASXJCIDSX-UUOKFMHZSA-N","SMILES":"C1=NC2=C(N1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=C(NC2=O)N","Species":"[M+H]+_[M+Na]+","MSI Level":"2","ESI mode":"ESI (+)","m/z":"364.0623_386.0451","RT":"9.37"},{"Metabolite":"Hexanoyl-L-carnitine","Identifier":"4.81_260.19","HMDBID":"HMDB00756","LipidMAPS":"LMFA07070001","KEGGID":"","PubChem CID":"3246938","InChI Key":"VVPRQWTYSNDTEA-LLVKDONJSA-N","SMILES":"CCCCCC(=O)O[C@H](CC(=O)[O-])C[N+](C)(C)C","Species":"[M+H]+","MSI Level":"2","ESI mode":"ESI (+)","m/z":"260.1855","RT":"4.81"},{"Metabolite":"His-Gly","Identifier":"9.31_213.10","HMDBID":"","LipidMAPS":"","KEGGID":"","PubChem CID":"101179","InChI Key":"LYCVKHSJGDMDLM-LURJTMIESA-N","SMILES":"C1=C(NC=N1)C[C@@H](C(=O)NCC(=O)O)N","Species":"[M+H]+","MSI Level":"2","ESI mode":"ESI (+)","m/z":"213.0968","RT":"9.31"},{"Metabolite":"Histamine","Identifier":"8.10_112.09_8.10_95.06","HMDBID":"HMDB00870","LipidMAPS":"","KEGGID":"C00388","PubChem CID":"774","InChI Key":"NTYJJOPFIAHURM-UHFFFAOYSA-N","SMILES":"C1=C(NC=N1)CCN","Species":"[M+H]+_[M+H-NH3]+","MSI Level":"2","ESI mode":"ESI (+)","m/z":"112.086_95.0595","RT":"8.1"},{"Metabolite":"Histidine","Identifier":"9.16_156.08","HMDBID":"HMDB00177","LipidMAPS":"","KEGGID":"C00135","PubChem CID":"6274","InChI Key":"HNDVDQJCIGZPNO-YFKPBYRVSA-N","SMILES":"C1=C(NC=N1)C[C@@H](C(=O)O)N","Species":"[M+H]+","MSI Level":"1","ESI mode":"ESI (+)","m/z":"156.0759","RT":"9.16"},{"Metabolite":"His-Val","Identifier":"8.47_255.14","HMDBID":"","LipidMAPS":"","KEGGID":"","PubChem CID":"7021870","InChI Key":"VLDVBZICYBVQHB-IUCAKERBSA-N","SMILES":"CC(C)[C@@H](C(=O)[O-])NC(=O)[C@H](CC1=CN=CN1)[NH3+]","Species":"[M+H]+","MSI Level":"2","ESI mode":"ESI (+)","m/z":"255.1436","RT":"8.47"},{"Metabolite":"Hypoxanthine","Identifier":"4.88_137.05","HMDBID":"HMDB00157","LipidMAPS":"","KEGGID":"C00262","PubChem CID":"790","InChI Key":"FDGQSTZJBFJUBT-UHFFFAOYSA-N","SMILES":"C1=NC2=C(N1)C(=O)N=CN2","Species":"[M+H]+","MSI Level":"1","ESI mode":"ESI (+)","m/z":"137.0455","RT":"4.88"},{"Metabolite":"Inosine","Identifier":"6.13_269.09","HMDBID":"HMDB00195","LipidMAPS":"","KEGGID":"C00294","PubChem CID":"135398641","InChI Key":"UGQMRVRMYYASKQ-KQYNXXCUSA-N","SMILES":"C1=NC2=C(C(=O)N1)N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O","Species":"[M+H]+","MSI Level":"1","ESI mode":"ESI (+)","m/z":"269.0883","RT":"6.13"},{"Metabolite":"Inosine 5''-monophosphate","Identifier":"9.08_349.05","HMDBID":"HMDB00175","LipidMAPS":"","KEGGID":"C00130","PubChem CID":"135398640","InChI Key":"GRSZFWQUAKGDAV-KQYNXXCUSA-N","SMILES":"C1=NC2=C(C(=O)N1)N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O","Species":"[M+H]+","MSI Level":"2","ESI mode":"ESI (+)","m/z":"349.0538","RT":"9.08"},{"Metabolite":"Isoleucine","Identifier":"6.99_132.10","HMDBID":"HMDB00172","LipidMAPS":"LMFA01100047","KEGGID":"C00407","PubChem CID":"6306","InChI Key":"AGPKZVBTJJNPAG-WHFBIAKZSA-N","SMILES":"CC[C@H](C)[C@@H](C(=O)O)N","Species":"[M+H]+","MSI Level":"3","ESI mode":"ESI (+)","m/z":"132.1007","RT":"6.99"},{"Metabolite":"Isomaltose","Identifier":"7.77_365.10","HMDBID":"HMDB02923","LipidMAPS":"","KEGGID":"C00252","PubChem CID":"439193","InChI Key":"DLRVVLDZNNYCBX-RTPHMHGBSA-N","SMILES":"C(C1C(C(C(C(O1)OCC2C(C(C(C(O2)O)O)O)O)O)O)O)O","Species":"[M+H]+","MSI Level":"2","ESI mode":"ESI (+)","m/z":"365.1032","RT":"7.77"},{"Metabolite":"L-Arachidonoylcarnitine","Identifier":"2.71_448.34","HMDBID":"","LipidMAPS":"","KEGGID":"","PubChem CID":"136212424","InChI Key":"RBFQHRALHSUPIA-JTPUQHSZSA-N","SMILES":"CCCCC/C=C\\C/C=C\\C/C=C\\C/C=C\\CCCC(=O)O[C@H](CC(=O)[O-])C[N+](C)(C)C","Species":"[M+H]+","MSI Level":"2","ESI mode":"ESI (+)","m/z":"448.3396","RT":"2.71"},{"Metabolite":"Lauric acid diethanolamide","Identifier":"1.21_288.25","HMDBID":"HMDB0032358","LipidMAPS":"LMFA08040058","KEGGID":"","PubChem CID":"8430","InChI Key":"AOMUHOFOVNGZAN-UHFFFAOYSA-N","SMILES":"CCCCCCCCCCCC(=O)N(CCO)CCO","Species":"[M+H]+","MSI Level":"2","ESI mode":"ESI (+)","m/z":"288.2518","RT":"1.21"},{"Metabolite":"L-Cysteine-glutathione disulfide","Identifier":"9.87_427.09","HMDBID":"","LipidMAPS":"","KEGGID":"","PubChem CID":"4247235","InChI Key":"BNRXZEPOHPEEAS-UHFFFAOYSA-N","SMILES":"C(CC(=O)NC(CSSCC(C(=O)O)N)C(=O)NCC(=O)O)C(C(=O)O)N","Species":"[M+H]+","MSI Level":"2","ESI mode":"ESI (+)","m/z":"427.0928","RT":"9.87"},{"Metabolite":"Leu-Leu","Identifier":"5.88_245.18","HMDBID":"","LipidMAPS":"","KEGGID":"","PubChem CID":"76807","InChI Key":"LCPYQJIKPJDLLB-UWVGGRQHSA-N","SMILES":"CC(C)C[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)O)N","Species":"[M+H]+","MSI Level":"2","ESI mode":"ESI (+)","m/z":"245.1844","RT":"5.88"},{"Metabolite":"Linoleoylcarnitine","Identifier":"12.48_424.34","HMDBID":"HMDB06469","LipidMAPS":"LMFA07070009","KEGGID":"","PubChem CID":"6450015","InChI Key":"MJLXQSQYKZWZCB-DQFWFXSYSA-N","SMILES":"CCCCC/C=C\\C/C=C\\CCCCCCCC(=O)O[C@H](CC(=O)[O-])C[N+](C)(C)C","Species":"[M+H]+","MSI Level":"2","ESI mode":"ESI (+)","m/z":"424.3399","RT":"12.48"},{"Metabolite":"Lysine","Identifier":"9.31_147.11_9.31_130.09","HMDBID":"HMDB00182","LipidMAPS":"","KEGGID":"C00047","PubChem CID":"5962","InChI Key":"KDXKERNSBIXSRK-YFKPBYRVSA-N","SMILES":"C(CCN)C[C@@H](C(=O)O)N","Species":"[M+H]+_[M+H-NH3]+","MSI Level":"1","ESI mode":"ESI (+)","m/z":"147.1115_130.0851","RT":"9.31"},{"Metabolite":"Malonyl-L-carnitine","Identifier":"8.37_248.11","HMDBID":"HMDB0062592","LipidMAPS":"","KEGGID":"","PubChem CID":"91825606","InChI Key":"ZGNBLKBZJBJFDG-SSDOTTSWSA-N","SMILES":"C[N+](C)(C)C[C@@H](CC(=O)[O-])OC(=O)CC(=O)O","Species":"[M+H]+","MSI Level":"2","ESI mode":"ESI (+)","m/z":"248.1125","RT":"8.37"},{"Metabolite":"Maltotriose","Identifier":"9.38_527.16","HMDBID":"","LipidMAPS":"","KEGGID":"","PubChem CID":"92146","InChI Key":"RXVWSYJTUUKTEA-CGQAXDJHSA-N","SMILES":"C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)O[C@H]([C@@H](CO)O)[C@@H]([C@H](C=O)O)O)CO)O)O)O)O","Species":"[M+Na]+","MSI Level":"2","ESI mode":"ESI (+)","m/z":"527.1556","RT":"9.38"},{"Metabolite":"Mannose 6-phosphate","Identifier":"9.57_283.02_9.57_243.03","HMDBID":"","LipidMAPS":"","KEGGID":"C00275","PubChem CID":"65127","InChI Key":"NBSCHQHZLSJFNQ-QTVWNMPRSA-N","SMILES":"C([C@@H]1[C@H]([C@@H]([C@@H](C(O1)O)O)O)O)OP(=O)(O)O","Species":"[M+Na]+_[M+H-H2O]+","MSI Level":"2","ESI mode":"ESI (+)","m/z":"283.0175_243.0253","RT":"9.57"},{"Metabolite":"Methionine","Identifier":"7.20_150.06_7.20_133.03","HMDBID":"HMDB00696","LipidMAPS":"","KEGGID":"C00073","PubChem CID":"6137","InChI Key":"FFEARJCKVFRZRR-BYPYZUCNSA-N","SMILES":"CSCC[C@@H](C(=O)O)N","Species":"[M+H]+_[M+H-NH3]+","MSI Level":"3","ESI mode":"ESI (+)","m/z":"150.0571_133.0305","RT":"7.2"},{"Metabolite":"Methioninesulfoxide","Identifier":"8.33_166.05","HMDBID":"","LipidMAPS":"","KEGGID":"C02989","PubChem CID":"158980","InChI Key":"QEFRNWWLZKMPFJ-YGVKFDHGSA-N","SMILES":"CS(=O)CC[C@@H](C(=O)O)N","Species":"[M+H]+","MSI Level":"1","ESI mode":"ESI (+)","m/z":"166.0517","RT":"8.33"},{"Metabolite":"Methyltestosterone","Identifier":"1.10_303.23","HMDBID":"HMDB0015655","LipidMAPS":"LMST02020029","KEGGID":"C07198","PubChem CID":"6010","InChI Key":"GCKMFJBGXUYNAG-HLXURNFRSA-N","SMILES":"C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@]4(C)O)C","Species":"[M+H]+","MSI Level":"3","ESI mode":"ESI (+)","m/z":"303.2304","RT":"1.1"},{"Metabolite":"myo-Inositol-3-phosphate","Identifier":"9.56_261.04","HMDBID":"","LipidMAPS":"","KEGGID":"C01177","PubChem CID":"107737","InChI Key":"INAPMGSXUVUWAF-GCVPSNMTSA-N","SMILES":"[C@H]1([C@H](C([C@@H]([C@@H](C1O)O)O)OP(=O)(O)O)O)O","Species":"[M+H]+","MSI Level":"2","ESI mode":"ESI (+)","m/z":"261.036","RT":"9.56"},{"Metabolite":"Myristoyl-L-carnitine","Identifier":"3.15_372.31","HMDBID":"HMDB05066","LipidMAPS":"LMFA07070107","KEGGID":"","PubChem CID":"53477791","InChI Key":"PSHXNVGSVNEJBD-LJQANCHMSA-N","SMILES":"CCCCCCCCCCCCCC(=O)O[C@H](CC(=O)[O-])C[N+](C)(C)C","Species":"[M+H]+","MSI Level":"2","ESI mode":"ESI (+)","m/z":"372.3095","RT":"3.15"},{"Metabolite":"N-(3-(Aminomethyl)benzyl)acetamidine","Identifier":"3.28_178.13","HMDBID":"","LipidMAPS":"","KEGGID":"","PubChem CID":"1433","InChI Key":"RODUKNYOEVZQPR-UHFFFAOYSA-N","SMILES":"CC(=NCC1=CC(=CC=C1)CN)N","Species":"[M+H]+","MSI Level":"2","ESI mode":"ESI (+)","m/z":"178.1326","RT":"3.28"},{"Metabolite":"N,N,N-trimethyllysine","Identifier":"9.06_189.16","HMDBID":"","LipidMAPS":"","KEGGID":"","PubChem CID":"159659","InChI Key":"MXNRLFUSFKVQSK-UHFFFAOYSA-N","SMILES":"C[N+](C)(C)CCCCC(C(=O)[O-])N","Species":"[M+H]+","MSI Level":"2","ESI mode":"ESI (+)","m/z":"189.1592","RT":"9.06"},{"Metabolite":"N,N-Diethyl-2-aminoethanol","Identifier":"4.76_118.12","HMDBID":"HMDB0033971","LipidMAPS":"","KEGGID":"","PubChem CID":"7497","InChI Key":"BFSVOASYOCHEOV-UHFFFAOYSA-N","SMILES":"CCN(CC)CCO","Species":"[M+H]+","MSI Level":"2","ESI mode":"ESI (+)","m/z":"118.1212","RT":"4.76"},{"Metabolite":"N,N-Dimethylarginine","Identifier":"8.74_203.15","HMDBID":"","LipidMAPS":"","KEGGID":"","PubChem CID":"17801140","InChI Key":"NWGZOALPWZDXNG-UHFFFAOYSA-N","SMILES":"CN(C)C(CCCN=C(N)N)C(=O)O","Species":"[M+H]+","MSI Level":"3","ESI mode":"ESI (+)","m/z":"203.1492","RT":"8.74"},{"Metabolite":"N-.alpha.-(tert-Butoxycarbonyl)-L-histidine","Identifier":"9.32_110.07","HMDBID":"","LipidMAPS":"","KEGGID":"","PubChem CID":"87308","InChI Key":"AYMLQYFMYHISQO-QMMMGPOBSA-N","SMILES":"CC(C)(C)OC(=O)N[C@@H](CC1=CN=CN1)C(=O)O","Species":"[M+H]+","MSI Level":"2","ESI mode":"ESI (+)","m/z":"110.0701","RT":"9.32"},{"Metabolite":"N.epsilon.-Methyl-L-lysine","Identifier":"9.08_161.13","HMDBID":"","LipidMAPS":"","KEGGID":"","PubChem CID":"541646","InChI Key":"PQNASZJZHFPQLE-UHFFFAOYSA-N","SMILES":"CNCCCCC(C(=O)O)N","Species":"[M+H]+","MSI Level":"2","ESI mode":"ESI (+)","m/z":"161.127","RT":"9.08"},{"Metabolite":"N8-Acetylspermidine","Identifier":"8.67_188.17","HMDBID":"HMDB02189","LipidMAPS":"","KEGGID":"C01029","PubChem CID":"123689","InChI Key":"FONIWJIDLJEJTL-UHFFFAOYSA-N","SMILES":"CC(=O)NCCCCNCCCN","Species":"[M+H]+","MSI Level":"1","ESI mode":"ESI (+)","m/z":"188.1744","RT":"8.67"},{"Metabolite":"N-Acetyl-L-carnosine","Identifier":"8.17_269.12","HMDBID":"","LipidMAPS":"","KEGGID":"","PubChem CID":"9903482","InChI Key":"BKAYIFDRRZZKNF-VIFPVBQESA-N","SMILES":"CC(=O)NCCC(=O)N[C@@H](CC1=CN=CN1)C(=O)O","Species":"[M+H]+","MSI Level":"2","ESI mode":"ESI (+)","m/z":"269.1231","RT":"8.17"},{"Metabolite":"Nicotinamide","Identifier":"1.63_123.06","HMDBID":"HMDB01406","LipidMAPS":"","KEGGID":"C00153","PubChem CID":"936","InChI Key":"DFPAKSUCGFBDDF-UHFFFAOYSA-N","SMILES":"C1=CC(=CN=C1)C(=O)N","Species":"[M+H]+","MSI Level":"2","ESI mode":"ESI (+)","m/z":"123.055","RT":"1.63"},{"Metabolite":"beta-Nicotinamide adenine dinucleotide hydrate","Identifier":"9.37_664.11","HMDBID":"","LipidMAPS":"","KEGGID":"","PubChem CID":"25162925","InChI Key":"BAWFJGJZGIEFAR-DQQFMEOOSA-N","SMILES":"C1=CC(=C[N+](=C1)[C@@H]2[C@H]([C@H]([C@@H](O2)COP(=O)([O-])OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=NC5=C4N=CN=C5N)O)O)O)O)C(=O)N","Species":"[M+H]+","MSI Level":"2","ESI mode":"ESI (+)","m/z":"664.1132","RT":"9.37"},{"Metabolite":"beta-nicotinamide adenine dinucleotide","Identifier":"9.57_664.11","HMDBID":"","LipidMAPS":"","KEGGID":"","PubChem CID":"127255362","InChI Key":"BAWFJGJZGIEFAR-OWXIGJDBSA-N","SMILES":"C1=CC(=C[N+](=C1)[C@H]2[C@@H]([C@@H]([C@@H](O2)COP(=O)([O-])OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=NC5=C4N=CN=C5N)O)O)O)O)C(=O)N","Species":"[M+H]+","MSI Level":"2","ESI mode":"ESI (+)","m/z":"664.1121","RT":"9.57"},{"Metabolite":"Nicotinamide riboside","Identifier":"7.24_255.10","HMDBID":"HMDB00855","LipidMAPS":"","KEGGID":"C03150","PubChem CID":"439924","InChI Key":"JLEBZPBDRKPWTD-TURQNECASA-O","SMILES":"C1=CC(=C[N+](=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)C(=O)N","Species":"[M+H]+","MSI Level":"2","ESI mode":"ESI (+)","m/z":"255.0958","RT":"7.24"},{"Metabolite":"N-Methylisoleucine","Identifier":"6.28_146.12","HMDBID":"","LipidMAPS":"","KEGGID":"","PubChem CID":"560437","InChI Key":"KSPIYJQBLVDRRI-UHFFFAOYSA-N","SMILES":"CCC(C)C(C(=O)O)NC","Species":"[M+H]+","MSI Level":"3","ESI mode":"ESI (+)","m/z":"146.1161","RT":"6.28"},{"Metabolite":"N-Methylvaline","Identifier":"6.88_132.10","HMDBID":"","LipidMAPS":"","KEGGID":"","PubChem CID":"4378","InChI Key":"AKCRVYNORCOYQT-UHFFFAOYSA-N","SMILES":"CC(C)C(C(=O)O)NC","Species":"[M+H]+","MSI Level":"3","ESI mode":"ESI (+)","m/z":"132.1002","RT":"6.88"},{"Metabolite":"Norleucine","Identifier":"6.79_132.10","HMDBID":"HMDB01645","LipidMAPS":"LMFA01100042","KEGGID":"C01933","PubChem CID":"21236","InChI Key":"LRQKBLKVPFOOQJ-YFKPBYRVSA-N","SMILES":"CCCC[C@@H](C(=O)O)N","Species":"[M+H]+","MSI Level":"3","ESI mode":"ESI (+)","m/z":"132.1008","RT":"6.79"},{"Metabolite":"N-tert-Butoxycarbonyl-b-nornicotryine","Identifier":"7.38_189.07","HMDBID":"","LipidMAPS":"","KEGGID":"","PubChem CID":"4076426","InChI Key":"GAZXWECQNOAQME-UHFFFAOYSA-N","SMILES":"CC(C)(C)OC(=O)N1C=CC=C1C2=CN=CC=C2","Species":"[M+H]+","MSI Level":"2","ESI mode":"ESI (+)","m/z":"189.0744","RT":"7.38"},{"Metabolite":"N-Tetracosenoyl-4-sphingenine","Identifier":"1.03_648.63","HMDBID":"HMDB0004953","LipidMAPS":"LMSP02010009","KEGGID":"","PubChem CID":"5283568","InChI Key":"VJSBNBBOSZJDKB-KPEYJIHVSA-N","SMILES":"CCCCCCCCCCCCC/C=C/[C@H]([C@H](CO)NC(=O)CCCCCCCCCCCCC/C=C\\CCCCCCCC)O","Species":"[M+H]+","MSI Level":"2","ESI mode":"ESI (+)","m/z":"648.6264","RT":"1.03"},{"Metabolite":"Nudifloramide","Identifier":"2.18_153.06","HMDBID":"HMDB04193","LipidMAPS":"","KEGGID":"C05842","PubChem CID":"69698","InChI Key":"JLQSXXWTCJPCBC-UHFFFAOYSA-N","SMILES":"CN1C=C(C=CC1=O)C(=O)N","Species":"[M+H]+","MSI Level":"2","ESI mode":"ESI (+)","m/z":"153.0646","RT":"2.18"},{"Metabolite":"Octanoylcarnitine","Identifier":"4.40_288.22","HMDBID":"HMDB00791","LipidMAPS":"LMFA07070002","KEGGID":"C02838","PubChem CID":"11953814","InChI Key":"CXTATJFJDMJMIY-CYBMUJFWSA-N","SMILES":"CCCCCCCC(=O)O[C@H](CC(=O)[O-])C[N+](C)(C)C","Species":"[M+H]+","MSI Level":"2","ESI mode":"ESI (+)","m/z":"288.2156","RT":"4.4"},{"Metabolite":"Oleoyl-L-carnitine","Identifier":"2.78_426.36","HMDBID":"HMDB0005065","LipidMAPS":"","KEGGID":"","PubChem CID":"46907933","InChI Key":"IPOLTUVFXFHAHI-WHIOSMTNSA-N","SMILES":"CCCCCCCC/C=C\\CCCCCCCC(=O)O[C@H](CC(=O)[O-])C[N+](C)(C)C","Species":"[M+H]+","MSI Level":"2","ESI mode":"ESI (+)","m/z":"426.3561","RT":"2.78"},{"Metabolite":"Palatinose","Identifier":"8.57_360.15","HMDBID":"","LipidMAPS":"","KEGGID":"","PubChem CID":"83686","InChI Key":"RJPPRBMGVWEZRR-WTZPKTTFSA-N","SMILES":"C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OC[C@H]([C@H]([C@@H](C(=O)CO)O)O)O)O)O)O)O","Species":"[M+NH4]+","MSI Level":"2","ESI mode":"ESI (+)","m/z":"360.1484","RT":"8.57"},{"Metabolite":"Palmitoyl sphingomyelin","Identifier":"4.95_725.55","HMDBID":"HMDB0061712","LipidMAPS":"LMSP03010003","KEGGID":"","PubChem CID":"9939941","InChI Key":"RWKUXQNLWDTSLO-GWQJGLRPSA-N","SMILES":"CCCCCCCCCCCCCCCC(=O)N[C@@H](COP(=O)([O-])OCC[N+](C)(C)C)[C@@H](/C=C/CCCCCCCCCCCCC)O","Species":"[M+Na]+","MSI Level":"2","ESI mode":"ESI (+)","m/z":"725.5537","RT":"4.95"},{"Metabolite":"Palmitoylcarnitine","Identifier":"2.91_400.34","HMDBID":"","LipidMAPS":"LMFA07070098","KEGGID":"","PubChem CID":"461","InChI Key":"XOMRRQXKHMYMOC-UHFFFAOYSA-N","SMILES":"CCCCCCCCCCCCCCCC(=O)OC(CC(=O)[O-])C[N+](C)(C)C","Species":"[M+H]+","MSI Level":"2","ESI mode":"ESI (+)","m/z":"400.3407","RT":"2.91"},{"Metabolite":"Panthenol","Identifier":"1.82_206.14","HMDBID":"","LipidMAPS":"LMFA08020198","KEGGID":"C05944","PubChem CID":"131204","InChI Key":"SNPLKNRPJHDVJA-ZETCQYMHSA-N","SMILES":"CC(C)(CO)[C@H](C(=O)NCCCO)O","Species":"[M+NH4]+","MSI Level":"2","ESI mode":"ESI (+)","m/z":"206.137","RT":"1.82"},{"Metabolite":"Pantothenic acid","Identifier":"3.65_220.12","HMDBID":"HMDB0000210","LipidMAPS":"","KEGGID":"C00864","PubChem CID":"6613","InChI Key":"GHOKWGTUZJEAQD-ZETCQYMHSA-N","SMILES":"CC(C)(CO)[C@H](C(=O)NCCC(=O)O)O","Species":"[M+H]+","MSI Level":"1","ESI mode":"ESI (+)","m/z":"220.1175","RT":"3.65"},{"Metabolite":"Phenylalanine","Identifier":"6.65_166.09","HMDBID":"","LipidMAPS":"","KEGGID":"C02057","PubChem CID":"994","InChI Key":"COLNVLDHVKWLRT-UHFFFAOYSA-N","SMILES":"C1=CC=C(C=C1)CC(C(=O)O)N","Species":"[M+H]+","MSI Level":"1","ESI mode":"ESI (+)","m/z":"166.0858","RT":"6.65"},{"Metabolite":"Phosphocholine","Identifier":"9.12_184.07","HMDBID":"","LipidMAPS":"","KEGGID":"","PubChem CID":"135437","InChI Key":"YHHSONZFOIEMCP-UHFFFAOYSA-N","SMILES":"C[N+](C)(C)CCOP(=O)(O)[O-]","Species":"[M+H]+","MSI Level":"3","ESI mode":"ESI (+)","m/z":"184.0722","RT":"9.12"},{"Metabolite":"Pro-Gln","Identifier":"8.45_244.13","HMDBID":"","LipidMAPS":"","KEGGID":"","PubChem CID":"7408109","InChI Key":"SHAQGFGGJSLLHE-BQBZGAKWSA-N","SMILES":"C1C[C@H]([NH2+]C1)C(=O)N[C@@H](CCC(=O)N)C(=O)[O-]","Species":"[M+H]+","MSI Level":"2","ESI mode":"ESI (+)","m/z":"244.128","RT":"8.45"},{"Metabolite":"Proline","Identifier":"7.54_116.07","HMDBID":"HMDB00162","LipidMAPS":"","KEGGID":"C00148","PubChem CID":"145742","InChI Key":"ONIBWKKTOPOVIA-BYPYZUCNSA-N","SMILES":"C1C[C@H](NC1)C(=O)O","Species":"[M+H]+","MSI Level":"3","ESI mode":"ESI (+)","m/z":"116.0691","RT":"7.54"},{"Metabolite":"Propionylcarnitine","Identifier":"6.16_218.14","HMDBID":"HMDB00824","LipidMAPS":"LMFA07070105","KEGGID":"C03017","PubChem CID":"107738","InChI Key":"UFAHZIUFPNSHSL-UHFFFAOYSA-N","SMILES":"CCC(=O)OC(CC(=O)[O-])C[N+](C)(C)C","Species":"[M+H]+","MSI Level":"1","ESI mode":"ESI (+)","m/z":"218.1387","RT":"6.16"},{"Metabolite":"Pro-Pro","Identifier":"7.70_213.12","HMDBID":"","LipidMAPS":"","KEGGID":"","PubChem CID":"11622593","InChI Key":"RWCOTTLHDJWHRS-YUMQZZPRSA-N","SMILES":"C1C[C@H](NC1)C(=O)N2CCC[C@H]2C(=O)O","Species":"[M+H]+","MSI Level":"2","ESI mode":"ESI (+)","m/z":"213.1219","RT":"7.7"},{"Metabolite":"Protoporphyrin IX","Identifier":"1.45_563.26","HMDBID":"","LipidMAPS":"","KEGGID":"","PubChem CID":"4971","InChI Key":"OXTIQTUKEUGAPP-UJJXFSCMSA-N","SMILES":"CC1=C(C2=CC3=C(C(=C(N3)C=C4C(=C(C(=N4)C=C5C(=C(C(=N5)C=C1N2)C)CCC(=O)O)CCC(=O)O)C)C=C)C)C=C","Species":"[M+H]+","MSI Level":"2","ESI mode":"ESI (+)","m/z":"563.2621","RT":"1.45"},{"Metabolite":"Pyroglutamic acid","Identifier":"8.37_130.05","HMDBID":"","LipidMAPS":"","KEGGID":"C02237","PubChem CID":"439685","InChI Key":"ODHCTXKNWHHXJC-GSVOUGTGSA-N","SMILES":"C1CC(=O)N[C@H]1C(=O)O","Species":"[M+H]+","MSI Level":"2","ESI mode":"ESI (+)","m/z":"130.0497","RT":"8.37"},{"Metabolite":"PyroGlu-Val-Lys","Identifier":"7.88_357.21","HMDBID":"","LipidMAPS":"","KEGGID":"","PubChem CID":"91746335","InChI Key":"GZICIGMUSACQTO-UHFFFAOYSA-N","SMILES":"CC(C)C(C(=O)NC(CCCCN)C(=O)O)NC(=O)C1CCC(=O)N1","Species":"[M+H]+","MSI Level":"2","ESI mode":"ESI (+)","m/z":"357.2115","RT":"7.88"},{"Metabolite":"Raffinose","Identifier":"9.38_505.17","HMDBID":"","LipidMAPS":"","KEGGID":"C00492","PubChem CID":"439242","InChI Key":"MUPFEKGTMRGPLJ-ZQSKZDJDSA-N","SMILES":"C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@H](O2)O[C@]3([C@H]([C@@H]([C@H](O3)CO)O)O)CO)O)O)O)O)O)O)O","Species":"[M+H]+","MSI Level":"3","ESI mode":"ESI (+)","m/z":"505.1737","RT":"9.38"},{"Metabolite":"Riboflavin","Identifier":"5.90_377.14","HMDBID":"HMDB00244","LipidMAPS":"","KEGGID":"C00255","PubChem CID":"493570","InChI Key":"AUNGANRZJHBGPY-SCRDCRAPSA-N","SMILES":"CC1=CC2=C(C=C1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO)O)O)O","Species":"[M+H]+","MSI Level":"1","ESI mode":"ESI (+)","m/z":"377.1433","RT":"5.9"},{"Metabolite":"S-Adenosyl-L-homocysteine","Identifier":"8.54_385.13","HMDBID":"HMDB00939","LipidMAPS":"","KEGGID":"C00021","PubChem CID":"439155","InChI Key":"ZJUKTBDSGOFHSH-WFMPWKQPSA-N","SMILES":"C1=NC2=C(C(=N1)N)N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O","Species":"[M+H]+","MSI Level":"2","ESI mode":"ESI (+)","m/z":"385.127","RT":"8.54"},{"Metabolite":"S-Adenosyl-L-methionine","Identifier":"9.50_399.14","HMDBID":"","LipidMAPS":"","KEGGID":"C00019","PubChem CID":"34755","InChI Key":"MEFKEPWMEQBLKI-AIRLBKTGSA-N","SMILES":"C[S+](CCC(C(=O)[O-])N)CC1C(C(C(O1)N2C=NC3=C2N=CN=C3N)O)O","Species":"[M+H]+","MSI Level":"2","ESI mode":"ESI (+)","m/z":"399.1428","RT":"9.5"},{"Metabolite":"SDMA","Identifier":"8.68_203.15","HMDBID":"HMDB03334","LipidMAPS":"","KEGGID":"","PubChem CID":"169148","InChI Key":"HVPFXCBJHIIJGS-LURJTMIESA-N","SMILES":"CNC(=NC)NCCC[C@@H](C(=O)O)N","Species":"[M+H]+","MSI Level":"1","ESI mode":"ESI (+)","m/z":"203.1491","RT":"8.68"},{"Metabolite":"Serine","Identifier":"8.45_106.05","HMDBID":"HMDB00187","LipidMAPS":"","KEGGID":"C00065","PubChem CID":"5951","InChI Key":"MTCFGRXMJLQNBG-REOHCLBHSA-N","SMILES":"C([C@@H](C(=O)O)N)O","Species":"[M+H]+","MSI Level":"1","ESI mode":"ESI (+)","m/z":"106.0485","RT":"8.45"},{"Metabolite":"Serotonin","Identifier":"1.54_177.11","HMDBID":"HMDB00259","LipidMAPS":"","KEGGID":"C00780","PubChem CID":"5202","InChI Key":"QZAYGJVTTNCVMB-UHFFFAOYSA-N","SMILES":"C1=CC2=C(C=C1O)C(=CN2)CCN","Species":"[M+H]+","MSI Level":"3","ESI mode":"ESI (+)","m/z":"177.1101","RT":"1.54"},{"Metabolite":"S-Lactoylglutathione","Identifier":"8.71_380.11","HMDBID":"","LipidMAPS":"","KEGGID":"","PubChem CID":"119450","InChI Key":"VDYDCVUWILIYQF-ALKRTJFJSA-N","SMILES":"CC(C(=O)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)O","Species":"[M+H]+","MSI Level":"2","ESI mode":"ESI (+)","m/z":"380.11","RT":"8.71"},{"Metabolite":"Stachydrine","Identifier":"6.89_144.10","HMDBID":"","LipidMAPS":"","KEGGID":"","PubChem CID":"554","InChI Key":"CMUNUTVVOOHQPW-UHFFFAOYSA-N","SMILES":"C[N+]1(CCCC1C(=O)[O-])C","Species":"[M+H]+","MSI Level":"2","ESI mode":"ESI (+)","m/z":"144.1015","RT":"6.89"},{"Metabolite":"Stearoyl-L-carnitine","Identifier":"2.69_428.37","HMDBID":"HMDB0000848","LipidMAPS":"LMFA07070008","KEGGID":"","PubChem CID":"52922056","InChI Key":"FNPHNLNTJNMAEE-HSZRJFAPSA-N","SMILES":"CCCCCCCCCCCCCCCCCC(=O)O[C@H](CC(=O)[O-])C[N+](C)(C)C","Species":"[M+H]+","MSI Level":"2","ESI mode":"ESI (+)","m/z":"428.3711","RT":"2.69"},{"Metabolite":"Succinic acid","Identifier":"4.62_119.03","HMDBID":"HMDB00254","LipidMAPS":"LMFA01170043","KEGGID":"C00042","PubChem CID":"1110","InChI Key":"KDYFGRWQOYBRFD-UHFFFAOYSA-N","SMILES":"C(CC(=O)O)C(=O)O","Species":"[M+H]+","MSI Level":"3","ESI mode":"ESI (+)","m/z":"119.0339","RT":"4.62"},{"Metabolite":"Sucrose","Identifier":"8.67_365.10","HMDBID":"HMDB00258","LipidMAPS":"","KEGGID":"C00089","PubChem CID":"5988","InChI Key":"CZMRCDWAGMRECN-UGDNZRGBSA-N","SMILES":"C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@]2([C@H]([C@@H]([C@H](O2)CO)O)O)CO)O)O)O)O","Species":"[M+Na]+","MSI Level":"3","ESI mode":"ESI (+)","m/z":"365.1042","RT":"8.67"},{"Metabolite":"Taurocholic acid","Identifier":"6.01_516.30","HMDBID":"HMDB0000036","LipidMAPS":"LMST05040001","KEGGID":"","PubChem CID":"6675","InChI Key":"WBWWGRHZICKQGZ-HZAMXZRMSA-N","SMILES":"C[C@H](CCC(=O)NCCS(=O)(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C","Species":"[M+H]+","MSI Level":"1","ESI mode":"ESI (+)","m/z":"516.2963","RT":"6.01"},{"Metabolite":"Thiamine","Identifier":"6.65_265.11","HMDBID":"HMDB00235","LipidMAPS":"","KEGGID":"C00378","PubChem CID":"1130","InChI Key":"JZRWCGZRTZMZEH-UHFFFAOYSA-N","SMILES":"CC1=C(SC=[N+]1CC2=CN=C(N=C2N)C)CCO","Species":"[M+H]+","MSI Level":"2","ESI mode":"ESI (+)","m/z":"265.1111","RT":"6.65"},{"Metabolite":"Thiamine monophosphate","Identifier":"9.39_345.08","HMDBID":"HMDB02666","LipidMAPS":"","KEGGID":"","PubChem CID":"3382778","InChI Key":"HZSAJDVWZRBGIF-UHFFFAOYSA-N","SMILES":"CC1=C(SC=[N+]1CC2=CN=C(N=C2N)C)CCOP(=O)(O)[O-]","Species":"[M+H]+","MSI Level":"2","ESI mode":"ESI (+)","m/z":"345.0759","RT":"9.39"},{"Metabolite":"Thionin","Identifier":"9.04_137.05","HMDBID":"","LipidMAPS":"","KEGGID":"","PubChem CID":"462371","InChI Key":"SHHZUHVSERGLNW-UHFFFAOYSA-O","SMILES":"C1=CC2=C(C=C1N)SC3=CC(=[NH2+])C=CC3=N2","Species":"[M+H]+","MSI Level":"2","ESI mode":"ESI (+)","m/z":"137.0455","RT":"9.04"},{"Metabolite":"Threonine","Identifier":"8.15_120.06","HMDBID":"HMDB04041","LipidMAPS":"","KEGGID":"C05519","PubChem CID":"99289","InChI Key":"AYFVYJQAPQTCCC-HRFVKAFMSA-N","SMILES":"C[C@@H]([C@@H](C(=O)O)N)O","Species":"[M+H]+","MSI Level":"3","ESI mode":"ESI (+)","m/z":"120.064","RT":"8.15"},{"Metabolite":"trehalose","Identifier":"8.68_360.15","HMDBID":"","LipidMAPS":"","KEGGID":"","PubChem CID":"10871590","InChI Key":"HDTRYLNUVZCQOY-BTLHAWITSA-N","SMILES":"C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O)O)O","Species":"[M+NH4]+","MSI Level":"2","ESI mode":"ESI (+)","m/z":"360.1486","RT":"8.68"},{"Metabolite":"Tri-2-ethylhexyl trimellitate","Identifier":"0.95_547.40","HMDBID":"","LipidMAPS":"","KEGGID":"","PubChem CID":"18725","InChI Key":"KRADHMIOFJQKEZ-UHFFFAOYSA-N","SMILES":"CCCCC(CC)COC(=O)C1=CC(=C(C=C1)C(=O)OCC(CC)CCCC)C(=O)OCC(CC)CCCC","Species":"[M+H]+","MSI Level":"2","ESI mode":"ESI (+)","m/z":"547.3962","RT":"0.95"},{"Metabolite":"Trigonelline","Identifier":"7.25_138.05","HMDBID":"HMDB00875","LipidMAPS":"","KEGGID":"C01004","PubChem CID":"5570","InChI Key":"WWNNZCOKKKDOPX-UHFFFAOYSA-N","SMILES":"C[N+]1=CC=CC(=C1)C(=O)[O-]","Species":"[M+H]+","MSI Level":"2","ESI mode":"ESI (+)","m/z":"138.0542","RT":"7.25"},{"Metabolite":"Trimethylamine-N-oxide","Identifier":"5.40_76.08","HMDBID":"HMDB00925","LipidMAPS":"","KEGGID":"C01104","PubChem CID":"1145","InChI Key":"UYPYRKYUKCHHIB-UHFFFAOYSA-N","SMILES":"C[N+](C)(C)[O-]","Species":"[M+H]+","MSI Level":"1","ESI mode":"ESI (+)","m/z":"76.0751","RT":"5.4"},{"Metabolite":"Tris(2-butoxyethyl) phosphate","Identifier":"1.00_399.25","HMDBID":"","LipidMAPS":"","KEGGID":"C14446","PubChem CID":"6540","InChI Key":"WTLBZVNBAKMVDP-UHFFFAOYSA-N","SMILES":"CCCCOCCOP(=O)(OCCOCCCC)OCCOCCCC","Species":"[M+H]+","MSI Level":"2","ESI mode":"ESI (+)","m/z":"399.248","RT":"1"},{"Metabolite":"Tryptophan","Identifier":"6.61_205.10_6.61_188.07","HMDBID":"HMDB00929","LipidMAPS":"","KEGGID":"C00078","PubChem CID":"6305","InChI Key":"QIVBCDIJIAJPQS-VIFPVBQESA-N","SMILES":"C1=CC=C2C(=C1)C(=CN2)C[C@@H](C(=O)O)N","Species":"[M+H]+_[M+H-NH3]+","MSI Level":"1","ESI mode":"ESI (+)","m/z":"205.0957_188.0697","RT":"6.61"},{"Metabolite":"Turanose","Identifier":"8.25_360.15","HMDBID":"HMDB11740","LipidMAPS":"","KEGGID":"C19636","PubChem CID":"5460935","InChI Key":"RULSWEULPANCDV-PIXUTMIVSA-N","SMILES":"C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]([C@@H]([C@@H](CO)O)O)C(=O)CO)O)O)O)O","Species":"[M+NH4]+","MSI Level":"2","ESI mode":"ESI (+)","m/z":"360.1481","RT":"8.25"},{"Metabolite":"Tyrosine","Identifier":"7.45_182.08_7.45_165.05","HMDBID":"HMDB00158","LipidMAPS":"","KEGGID":"C00082","PubChem CID":"6057","InChI Key":"OUYCCCASQSFEME-QMMMGPOBSA-N","SMILES":"C1=CC(=CC=C1C[C@@H](C(=O)O)N)O","Species":"[M+H]+_[M+H-NH3]+","MSI Level":"1","ESI mode":"ESI (+)","m/z":"182.0798_165.0531","RT":"7.45"},{"Metabolite":"Uridine","Identifier":"4.91_245.08","HMDBID":"HMDB00296","LipidMAPS":"","KEGGID":"C00299","PubChem CID":"6029","InChI Key":"DRTQHJPVMGBUCF-XVFCMESISA-N","SMILES":"C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O","Species":"[M+H]+","MSI Level":"3","ESI mode":"ESI (+)","m/z":"245.0751","RT":"4.91"},{"Metabolite":"Uridine 5''-monophosphate","Identifier":"8.89_325.04","HMDBID":"HMDB00288","LipidMAPS":"","KEGGID":"C00105","PubChem CID":"6030","InChI Key":"DJJCXFVJDGTHFX-XVFCMESISA-N","SMILES":"C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O","Species":"[M+H]+","MSI Level":"2","ESI mode":"ESI (+)","m/z":"325.0421","RT":"8.89"},{"Metabolite":"Uridine-5-diphosphoacetylgalactosamine","Identifier":"9.56_608.09","HMDBID":"HMDB0060522","LipidMAPS":"","KEGGID":"","PubChem CID":"23700","InChI Key":"LFTYTUAZOPRMMI-NESSUJCYSA-N","SMILES":"CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)O","Species":"[M+H]+","MSI Level":"2","ESI mode":"ESI (+)","m/z":"608.0858","RT":"9.56"},{"Metabolite":"Uridine-5-diphosphoacetylglucosamine","Identifier":"9.68_608.09","HMDBID":"","LipidMAPS":"","KEGGID":"","PubChem CID":"643981","InChI Key":"LFTYTUAZOPRMMI-MPIASZHXSA-N","SMILES":"CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H](C(O2)N3C=CC(=O)NC3=O)O)O)CO)O)O","Species":"[M+H]+","MSI Level":"1","ESI mode":"ESI (+)","m/z":"608.0867","RT":"9.68"},{"Metabolite":"Urocanic acid","Identifier":"3.79_139.05","HMDBID":"HMDB00301","LipidMAPS":"","KEGGID":"C00785","PubChem CID":"736715","InChI Key":"LOIYMIARKYCTBW-OWOJBTEDSA-N","SMILES":"C1=C(NC=N1)/C=C/C(=O)O","Species":"[M+H]+","MSI Level":"3","ESI mode":"ESI (+)","m/z":"139.0491","RT":"3.79"},{"Metabolite":"Val-Ser","Identifier":"8.15_205.12","HMDBID":"","LipidMAPS":"","KEGGID":"","PubChem CID":"6992639","InChI Key":"STTYIMSDIYISRG-WDSKDSINSA-N","SMILES":"CC(C)[C@@H](C(=O)N[C@@H](CO)C(=O)[O-])[NH3+]","Species":"[M+H]+","MSI Level":"2","ESI mode":"ESI (+)","m/z":"205.1169","RT":"8.15"},{"Metabolite":"Xanthine","Identifier":"5.47_153.04","HMDBID":"HMDB00292","LipidMAPS":"","KEGGID":"C00385","PubChem CID":"1188","InChI Key":"LRFVTYWOQMYALW-UHFFFAOYSA-N","SMILES":"C1=NC2=C(N1)C(=O)NC(=O)N2","Species":"[M+H]+","MSI Level":"2","ESI mode":"ESI (+)","m/z":"153.0394","RT":"5.47"}] } }