{
"METABOLOMICS WORKBENCH":{"STUDY_ID":"ST001548","ANALYSIS_ID":"AN002579","VERSION":"1","CREATED_ON":"November 18, 2020, 9:53 am"},

"PROJECT":{"PROJECT_TITLE":"β-Adrenergic regulation of metabolism in macrophages","PROJECT_SUMMARY":"Macrophages have important roles in the immune system including clearing pathogens and wound healing. Metabolic phenotypes have been associated with functional phenotypes, where pro-inflammatory macrophages have an increased rate of glycolysis and anti-inflammatory macrophages primarily use oxidative phosphorylation. β-adrenoceptor (βAR) signalling in macrophages has been implicated in disease states such as cancer, atherosclerosis and rheumatoid arthritis. The impact of β-adrenoceptor signalling on macrophage metabolism has not been defined. Here we expand on defining the phenotype of macrophages treated with isoprenaline and describe the impact that βAR signalling has on the metabolome and proteome. We found that βAR signalling alters proteins involved in cytoskeletal rearrangement and redox control of the cell. We showed that βAR signalling in macrophages shifts glucose metabolism from glycolysis towards the tricarboxylic acid cycle and pentose phosphate pathways. We also show that βAR signalling perturbs purine metabolism by accumulating adenylate pools. Taken together these results indicate that βAR signalling shifts metabolism to support redox perturbations and upregulate proteins involved in cytoskeletal changes that may impact migration and phagocytosis processes.","INSTITUTE":"Monash University","LAST_NAME":"Peterson","FIRST_NAME":"Amanda","ADDRESS":"Drug delivery, disposition and dynamics, Pharmacy and Pharmaceutical Sciences, 381 Royal Parade, Parkville, Victoria, 3052, Australia","EMAIL":"amanda.peterson@monash.edu","PHONE":"99039282"},

"STUDY":{"STUDY_TITLE":"β-Adrenergic regulation of metabolism in macrophages (part-II)","STUDY_SUMMARY":"Macrophages have important roles in the immune system including clearing pathogens and wound healing. Metabolic phenotypes have been associated with functional phenotypes, where pro-inflammatory macrophages have an increased rate of glycolysis and anti-inflammatory macrophages primarily use oxidative phosphorylation. β-adrenoceptor (βAR) signalling in macrophages has been implicated in disease states such as cancer, atherosclerosis and rheumatoid arthritis. The impact of β-adrenoceptor signalling on macrophage metabolism has not been defined. Here we expand on defining the phenotype of macrophages treated with isoprenaline and describe the impact that βAR signalling has on the metabolome and proteome. We found that βAR signalling alters proteins involved in cytoskeletal rearrangement and redox control of the cell. We showed that βAR signalling in macrophages shifts glucose metabolism from glycolysis towards the tricarboxylic acid cycle and pentose phosphate pathways. We also show that βAR signalling perturbs purine metabolism by accumulating adenylate pools. Taken together these results indicate that βAR signalling shifts metabolism to support redox perturbations and upregulate proteins involved in cytoskeletal changes that may impact migration and phagocytosis processes.","INSTITUTE":"Monash University","LAST_NAME":"Peterson","FIRST_NAME":"Amanda","ADDRESS":"Drug delivery, disposition and dynamics, Pharmacy and Pharmaceutical Sciences, 381 Royal Parade, Parkville, Victoria, 3052, Australia","EMAIL":"amanda.peterson@monash.edu","PHONE":"99039282"},

"SUBJECT":{"SUBJECT_TYPE":"Cultured cells","SUBJECT_SPECIES":"Homo sapiens","TAXONOMY_ID":"9606"},
"SUBJECT_SAMPLE_FACTORS":[
{
"Subject ID":"-",
"Sample ID":"M_control_1",
"Factors":{"Treatment":"Control_13C-Glucose"},
"Additional sample data":{"Experiment":"2","RAW_FILE_NAME":"M_control_1"}
},
{
"Subject ID":"-",
"Sample ID":"M_control_2",
"Factors":{"Treatment":"Control_13C-Glucose"},
"Additional sample data":{"Experiment":"2","RAW_FILE_NAME":"M_control_2"}
},
{
"Subject ID":"-",
"Sample ID":"M_control_3",
"Factors":{"Treatment":"Control_13C-Glucose"},
"Additional sample data":{"Experiment":"2","RAW_FILE_NAME":"M_control_3"}
},
{
"Subject ID":"-",
"Sample ID":"M_control_4",
"Factors":{"Treatment":"Control_13C-Glucose"},
"Additional sample data":{"Experiment":"2","RAW_FILE_NAME":"M_control_4"}
},
{
"Subject ID":"-",
"Sample ID":"M_isoprenaline_1",
"Factors":{"Treatment":"Isoprenaline_13C-Glucose"},
"Additional sample data":{"Experiment":"2","RAW_FILE_NAME":"M_isoprenaline_1"}
},
{
"Subject ID":"-",
"Sample ID":"M_isoprenaline_2",
"Factors":{"Treatment":"Isoprenaline_13C-Glucose"},
"Additional sample data":{"Experiment":"2","RAW_FILE_NAME":"M_isoprenaline_2"}
},
{
"Subject ID":"-",
"Sample ID":"M_isoprenaline_3",
"Factors":{"Treatment":"Isoprenaline_13C-Glucose"},
"Additional sample data":{"Experiment":"2","RAW_FILE_NAME":"M_isoprenaline_3"}
},
{
"Subject ID":"-",
"Sample ID":"M_isoprenaline_4",
"Factors":{"Treatment":"Isoprenaline_13C-Glucose"},
"Additional sample data":{"Experiment":"2","RAW_FILE_NAME":"M_isoprenaline_4"}
}
],
"COLLECTION":{"COLLECTION_SUMMARY":"500 μL of culture medium was collected and centrifuged for 5 minutes at 200 x g at 4°C. 20 μL of the supernatant is transferred to a new Eppendorf tube where 180 μL of 50:50, methanol: acetonitrile (ACN) containing 1 μM internal standards (CHAPS, CAPS, PIPES and TRIS) is added. The samples are placed on a shaker for 30 minutes. Samples were then vortexed for 30 seconds before centrifuging at 20,000 x g for 10 minutes at 4°C. 160 μL of supernatant was transferred to a plastic LC-MS vial and stored at -80°C until LC-MS analysis.","SAMPLE_TYPE":"Macrophages"},

"TREATMENT":{"TREATMENT_SUMMARY":"Differentiated macrophage-like cells (9.9x106) were seeded onto fibronectin-coated glass dishes. After 24 hours in culture, cells were treated with 1 µM isoprenaline (or vehicle) and 11 mM U-13C6-D-Glucose labelled medium (to give a final ratio of 50:50 of U-13C and U-12C D-glucose)."},

"SAMPLEPREP":{"SAMPLEPREP_SUMMARY":"500 μL of culture medium was collected and centrifuged for 5 minutes at 200 x g at 4°C. 20 μL of the supernatant is transferred to a new Eppendorf tube where 180 μL of 50:50, methanol: acetonitrile (ACN) containing 1 μM internal standards (CHAPS, CAPS, PIPES and TRIS) is added. The samples are placed on a shaker for 30 minutes. Samples were then vortexed for 30 seconds before centrifuging at 20,000 x g for 10 minutes at 4°C. 160 μL of supernatant was transferred to a plastic LC-MS vial and stored at -80°C until LC-MS analysis."},

"CHROMATOGRAPHY":{"CHROMATOGRAPHY_TYPE":"HILIC","INSTRUMENT_NAME":"Thermo Dionex Ultimate 3000","COLUMN_NAME":"ZIC-pHILIC (150 mm x 4.6 mm, 5 µm)"},

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

"MS":{"INSTRUMENT_NAME":"Thermo Exactive Plus Orbitrap","INSTRUMENT_TYPE":"Orbitrap","MS_TYPE":"ESI","ION_MODE":"NEGATIVE","MS_COMMENTS":"Mass spectrometry was performed in polarity switching mode, with the following settings: resolution 35 000, AGC 1x106, m/z range 85-1275, sheath gas 50, auxiliary gas 20, sweep gas 2, probe temperature 150 °C, and capillary temperature 300 °C. For positive ionisation mode the source voltage was set at +4 kV and the S-lens voltage at +50 V. For negative ionisation mode the source voltage was set at -3.5 kV and the S-lens voltage at -50 V. Mass calibration was performed for each polarity before running a metabolomics batch to ensure mass accuracy of < 2 ppm. Approximately 300 authentic metabolite standards were analysed at the start of each batch to provide accurate retention times to facilitate metabolite identification. Metabolomics samples were analysed in random order with periodic injections of the pooled QC, and blank samples, to assess analytical quality and aid downstream metabolite identification procedures. Metabolomics LC-MS Data Processing Raw metabolite data was processed using XCMS (Centwave) software for peak picking and mzMatch.R software for alignment and annotation of related metabolite peaks. Metabolites were then identified using the Excel-based IDEOM software by matching the mass of each peak and its retention time with a database, using a mass accuracy window of 2 ppm and a retention time window of 5% for metabolites matching authentic standards, and 35% for other putative metabolites based on a retention time prediction model (15). Noise and mass spectrometry artefacts were filtered using previously described algorithms (15, 16) to minimise false identifications. Detection of stable isotope labelled metabolite peaks were performed using mzMatch-ISO (17). Initial statistical analysis was performed with IDEOM using peak intensities (height) for all detected putative metabolites. Untargeted multivariate analysis was performed using MetaboAnalyst 4.0 (18), where the complete data sets were also analysed using enrichment analysis and pathway analysis functions (19, 20). Further analysis was undertaken using TraceFinderTM (Thermo) to obtain manually curated accurate peak areas for targeted univariate analyses for metabolites in key pathways. Metabolomics data are presented as fold-change values from 2 individual experiments, each with 4 replicates. Labelled metabolomics data is from a single metabolomics experiment and presented as a mean ± SD. Differences were determined using Student’s t-test where significant interactions were observed. Significance was determined at p values < 0.05."},

"MS_METABOLITE_DATA":{
"Units":"Intensity",

"Data":[{"Metabolite":"Pyruvate","M_control_2":"327119","M_control_3":"320935","M_control_4":"350590","M_isoprenaline_1":"369112","M_isoprenaline_2":"275171","M_isoprenaline_3":"377826","M_isoprenaline_4":"376071"},{"Metabolite":"3-Oxopropanoate","M_control_2":"161512","M_control_3":"209889","M_control_4":"164068","M_isoprenaline_1":"148453","M_isoprenaline_2":"159726","M_isoprenaline_3":"164027","M_isoprenaline_4":"179911"},{"Metabolite":"Oxalate","M_control_2":"245551","M_control_3":"244069","M_control_4":"248583","M_isoprenaline_1":"261240","M_isoprenaline_2":"256946","M_isoprenaline_3":"260181","M_isoprenaline_4":"243586"},{"Metabolite":"(S)-Lactate","M_control_2":"57267512","M_control_3":"58385644","M_control_4":"55964868","M_isoprenaline_1":"52471548","M_isoprenaline_2":"54973900","M_isoprenaline_3":"52512676","M_isoprenaline_4":"53460876"},{"Metabolite":"Orthophosphate","M_control_2":"3403732","M_control_3":"3563689","M_control_4":"3482247","M_isoprenaline_1":"3244663","M_isoprenaline_2":"3493557","M_isoprenaline_3":"3248017","M_isoprenaline_4":"3393784"},{"Metabolite":"2-oxobut-3-enanoate","M_control_2":"0","M_control_3":"0","M_control_4":"0","M_isoprenaline_1":"0","M_isoprenaline_2":"0","M_isoprenaline_3":"0","M_isoprenaline_4":"0"},{"Metabolite":"Acetoacetate","M_control_2":"118011","M_control_3":"135954","M_control_4":"107918","M_isoprenaline_1":"129205","M_isoprenaline_2":"149004","M_isoprenaline_3":"125310","M_isoprenaline_4":"114286"},{"Metabolite":"2-Oxobutanoate","M_control_2":"1330464","M_control_3":"1293669","M_control_4":"1338961","M_isoprenaline_1":"1329795","M_isoprenaline_2":"1141161","M_isoprenaline_3":"1390007","M_isoprenaline_4":"1350714"},{"Metabolite":"3-Methylbutanoic acid","M_control_2":"671915","M_control_3":"736969","M_control_4":"705415","M_isoprenaline_1":"786267","M_isoprenaline_2":"639393","M_isoprenaline_3":"748633","M_isoprenaline_4":"749591"},{"Metabolite":"Hydroxypyruvate","M_control_2":"47278","M_control_3":"52477","M_control_4":"51565","M_isoprenaline_1":"54621","M_isoprenaline_2":"65989","M_isoprenaline_3":"48307","M_isoprenaline_4":"50119"},{"Metabolite":"(R)-3-Hydroxybutanoate","M_control_2":"95615","M_control_3":"99678","M_control_4":"93997","M_isoprenaline_1":"89723","M_isoprenaline_2":"101459","M_isoprenaline_3":"91902","M_isoprenaline_4":"94809"},{"Metabolite":"2-hydroxymethanesulfonate","M_control_2":"0","M_control_3":"0","M_control_4":"0","M_isoprenaline_1":"0","M_isoprenaline_2":"23486","M_isoprenaline_3":"0","M_isoprenaline_4":"0"},{"Metabolite":"Monomethyl sulfate","M_control_2":"0","M_control_3":"0","M_control_4":"0","M_isoprenaline_1":"0","M_isoprenaline_2":"0","M_isoprenaline_3":"0","M_isoprenaline_4":"0"},{"Metabolite":"Uracil","M_control_2":"12250","M_control_3":"15608","M_control_4":"18481","M_isoprenaline_1":"14127","M_isoprenaline_2":"34615","M_isoprenaline_3":"19869","M_isoprenaline_4":"21961"},{"Metabolite":"Orotate(Fragment)","M_control_2":"0","M_control_3":"0","M_control_4":"0","M_isoprenaline_1":"0","M_isoprenaline_2":"43792","M_isoprenaline_3":"0","M_isoprenaline_4":"0"},{"Metabolite":"(S)-1-Pyrroline-5-carboxylate","M_control_2":"8436","M_control_3":"8711","M_control_4":"9194","M_isoprenaline_1":"6867","M_isoprenaline_2":"14733","M_isoprenaline_3":"6756","M_isoprenaline_4":"7206"},{"Metabolite":"H2S2O3","M_control_2":"10007","M_control_3":"12429","M_control_4":"11407","M_isoprenaline_1":"9735","M_isoprenaline_2":"13140","M_isoprenaline_3":"12852","M_isoprenaline_4":"13050"},{"Metabolite":"2-Hydroxy-2,4-pentadienoate","M_control_2":"257658","M_control_3":"270369","M_control_4":"251487","M_isoprenaline_1":"273948","M_isoprenaline_2":"331455","M_isoprenaline_3":"291322","M_isoprenaline_4":"268416"},{"Metabolite":"5-Oxopentanoate","M_control_2":"24759","M_control_3":"17858","M_control_4":"21927","M_isoprenaline_1":"44470","M_isoprenaline_2":"27363","M_isoprenaline_3":"25488","M_isoprenaline_4":"43755"},{"Metabolite":"3-Methyl-2-oxobutanoic acid","M_control_2":"226572","M_control_3":"221557","M_control_4":"283432","M_isoprenaline_1":"291448","M_isoprenaline_2":"203362","M_isoprenaline_3":"302444","M_isoprenaline_4":"317592"},{"Metabolite":"4-Hydroxyhexan-3-one","M_control_2":"301374","M_control_3":"331322","M_control_4":"285751","M_isoprenaline_1":"315098","M_isoprenaline_2":"328220","M_isoprenaline_3":"284414","M_isoprenaline_4":"342914"},{"Metabolite":"Hexanoic acid","M_control_2":"549788","M_control_3":"553711","M_control_4":"538188","M_isoprenaline_1":"526203","M_isoprenaline_2":"520099","M_isoprenaline_3":"530917","M_isoprenaline_4":"532629"},{"Metabolite":"L-Aspartate 4-semialdehyde","M_control_2":"0","M_control_3":"15868","M_control_4":"14682","M_isoprenaline_1":"0","M_isoprenaline_2":"23660","M_isoprenaline_3":"12759","M_isoprenaline_4":"15088"},{"Metabolite":"Acetylglycine","M_control_2":"27079","M_control_3":"18518","M_control_4":"0","M_isoprenaline_1":"22157","M_isoprenaline_2":"41726","M_isoprenaline_3":"18941","M_isoprenaline_4":"0"},{"Metabolite":"Succinate","M_control_2":"731599","M_control_3":"646129","M_control_4":"723882","M_isoprenaline_1":"672241","M_isoprenaline_2":"708173","M_isoprenaline_3":"648903","M_isoprenaline_4":"686994"},{"Metabolite":"5-Hydroxypentanoate","M_control_2":"524660","M_control_3":"450833","M_control_4":"439890","M_isoprenaline_1":"502943","M_isoprenaline_2":"564171","M_isoprenaline_3":"412217","M_isoprenaline_4":"483157"},{"Metabolite":"D-Erythrose","M_control_2":"1201725","M_control_3":"1154595","M_control_4":"1243302","M_isoprenaline_1":"1270938","M_isoprenaline_2":"1137542","M_isoprenaline_3":"1264283","M_isoprenaline_4":"1212005"},{"Metabolite":"L-Cysteine","M_control_2":"426802","M_control_3":"416824","M_control_4":"421453","M_isoprenaline_1":"439209","M_isoprenaline_2":"400224","M_isoprenaline_3":"436101","M_isoprenaline_4":"449064"},{"Metabolite":"Benzoate","M_control_2":"1523357","M_control_3":"1658307","M_control_4":"3315798","M_isoprenaline_1":"890589","M_isoprenaline_2":"900825","M_isoprenaline_3":"915098","M_isoprenaline_4":"1100450"},{"Metabolite":"Phosphonoacetaldehyde","M_control_2":"0","M_control_3":"0","M_control_4":"0","M_isoprenaline_1":"0","M_isoprenaline_2":"0","M_isoprenaline_3":"0","M_isoprenaline_4":"0"},{"Metabolite":"Taurine","M_control_2":"88502","M_control_3":"176842","M_control_4":"129407","M_isoprenaline_1":"116129","M_isoprenaline_2":"543539","M_isoprenaline_3":"97346","M_isoprenaline_4":"127194"},{"Metabolite":"Thymine","M_control_2":"0","M_control_3":"0","M_control_4":"0","M_isoprenaline_1":"0","M_isoprenaline_2":"0","M_isoprenaline_3":"0","M_isoprenaline_4":"0"},{"Metabolite":"5-Oxoproline","M_control_2":"12619493","M_control_3":"13030039","M_control_4":"13092975","M_isoprenaline_1":"12997544","M_isoprenaline_2":"37580276","M_isoprenaline_3":"14985480","M_isoprenaline_4":"14214332"},{"Metabolite":"2,5-Dioxopentanoate","M_control_2":"0","M_control_3":"15098","M_control_4":"19337","M_isoprenaline_1":"25915","M_isoprenaline_2":"28965","M_isoprenaline_3":"0","M_isoprenaline_4":"12469"},{"Metabolite":"(S)-3-Methyl-2-oxopentanoic acid","M_control_2":"63238","M_control_3":"52345","M_control_4":"109393","M_isoprenaline_1":"67245","M_isoprenaline_2":"102090","M_isoprenaline_3":"54725","M_isoprenaline_4":"108704"},{"Metabolite":"4-Methyl-2-oxopentanoate","M_control_2":"7132894","M_control_3":"6414997","M_control_4":"7782169","M_isoprenaline_1":"8378297","M_isoprenaline_2":"6561833","M_isoprenaline_3":"8902361","M_isoprenaline_4":"8666063"},{"Metabolite":"FA methyl(6:0)","M_control_2":"227769","M_control_3":"230574","M_control_4":"241047","M_isoprenaline_1":"212052","M_isoprenaline_2":"215964","M_isoprenaline_3":"239659","M_isoprenaline_4":"226408"},{"Metabolite":"L-Glutamate 5-semialdehyde","M_control_2":"383838","M_control_3":"335403","M_control_4":"363296","M_isoprenaline_1":"351156","M_isoprenaline_2":"504734","M_isoprenaline_3":"416290","M_isoprenaline_4":"389067"},{"Metabolite":"Creatine","M_control_2":"38785","M_control_3":"27006","M_control_4":"27974","M_isoprenaline_1":"17248","M_isoprenaline_2":"38163","M_isoprenaline_3":"42146","M_isoprenaline_4":"20711"},{"Metabolite":"Glutarate","M_control_2":"84515","M_control_3":"91198","M_control_4":"93056","M_isoprenaline_1":"84524","M_isoprenaline_2":"95998","M_isoprenaline_3":"69877","M_isoprenaline_4":"102024"},{"Metabolite":"2-Acetolactate","M_control_2":"507069","M_control_3":"469490","M_control_4":"507322","M_isoprenaline_1":"546791","M_isoprenaline_2":"539301","M_isoprenaline_3":"541237","M_isoprenaline_4":"540065"},{"Metabolite":"(S)-2-Acetolactate","M_control_2":"0","M_control_3":"0","M_control_4":"0","M_isoprenaline_1":"0","M_isoprenaline_2":"9210","M_isoprenaline_3":"12408","M_isoprenaline_4":"11973"},{"Metabolite":"FA hydroxy(6:0)","M_control_2":"77957","M_control_3":"111402","M_control_4":"68914","M_isoprenaline_1":"78232","M_isoprenaline_2":"65908","M_isoprenaline_3":"68925","M_isoprenaline_4":"95530"},{"Metabolite":"Ethyl (R)-3-hydroxybutanoate","M_control_2":"116233","M_control_3":"91497","M_control_4":"102620","M_isoprenaline_1":"105974","M_isoprenaline_2":"124130","M_isoprenaline_3":"92004","M_isoprenaline_4":"130013"},{"Metabolite":"L-Aspartate","M_control_2":"4799023","M_control_3":"4671234","M_control_4":"5069019","M_isoprenaline_1":"4975599","M_isoprenaline_2":"31474614","M_isoprenaline_3":"5212372","M_isoprenaline_4":"5077783"},{"Metabolite":"Iminodiacetate","M_control_2":"12767","M_control_3":"14314","M_control_4":"14211","M_isoprenaline_1":"13889","M_isoprenaline_2":"69618","M_isoprenaline_3":"12436","M_isoprenaline_4":"8731"},{"Metabolite":"4-methylthiobutanaldoxime","M_control_2":"60046","M_control_3":"67579","M_control_4":"51198","M_isoprenaline_1":"65774","M_isoprenaline_2":"179941","M_isoprenaline_3":"59483","M_isoprenaline_4":"72794"},{"Metabolite":"(S)-Malate","M_control_2":"3444708","M_control_3":"3411087","M_control_4":"3329696","M_isoprenaline_1":"3541710","M_isoprenaline_2":"2979584","M_isoprenaline_3":"3245172","M_isoprenaline_4":"3412967"},{"Metabolite":"Dihydropteridine","M_control_2":"14377","M_control_3":"20483","M_control_4":"16528","M_isoprenaline_1":"51166","M_isoprenaline_2":"79618","M_isoprenaline_3":"24014","M_isoprenaline_4":"26216"},{"Metabolite":"[FA trihydroxy(4:0)] 2,3,4-trihydroxy-butanoic acid","M_control_2":"1477030","M_control_3":"1415612","M_control_4":"1456428","M_isoprenaline_1":"1469063","M_isoprenaline_2":"4913834","M_isoprenaline_3":"1418115","M_isoprenaline_4":"1597197"},{"Metabolite":"Sulfoacetate","M_control_2":"179223","M_control_3":"190143","M_control_4":"220670","M_isoprenaline_1":"207519","M_isoprenaline_2":"199000","M_isoprenaline_3":"210399","M_isoprenaline_4":"196355"},{"Metabolite":"Ethanolamine phosphate","M_control_2":"13899","M_control_3":"15040","M_control_4":"15762","M_isoprenaline_1":"17094","M_isoprenaline_2":"46963","M_isoprenaline_3":"9416","M_isoprenaline_4":"13592"},{"Metabolite":"FA (8:1)","M_control_2":"53528","M_control_3":"53533","M_control_4":"54870","M_isoprenaline_1":"64119","M_isoprenaline_2":"53912","M_isoprenaline_3":"51910","M_isoprenaline_4":"42785"},{"Metabolite":"FA oxo(7:0)","M_control_2":"209027","M_control_3":"137870","M_control_4":"178454","M_isoprenaline_1":"171333","M_isoprenaline_2":"222968","M_isoprenaline_3":"181407","M_isoprenaline_4":"154899"},{"Metabolite":"7-oxoheptanoate","M_control_2":"82626","M_control_3":"87438","M_control_4":"84012","M_isoprenaline_1":"94835","M_isoprenaline_2":"85550","M_isoprenaline_3":"79469","M_isoprenaline_4":"83829"},{"Metabolite":"FA (8:0) octanoic acid","M_control_2":"499402","M_control_3":"553975","M_control_4":"521159","M_isoprenaline_1":"559064","M_isoprenaline_2":"524648","M_isoprenaline_3":"578952","M_isoprenaline_4":"497375"},{"Metabolite":"2-Oxoglutaramate","M_control_2":"0","M_control_3":"0","M_control_4":"0","M_isoprenaline_1":"0","M_isoprenaline_2":"27733","M_isoprenaline_3":"0","M_isoprenaline_4":"0"},{"Metabolite":"2-Oxoglutarate","M_control_2":"317193","M_control_3":"285208","M_control_4":"282275","M_isoprenaline_1":"301124","M_isoprenaline_2":"335264","M_isoprenaline_3":"296856","M_isoprenaline_4":"291546"},{"Metabolite":"FA hydroxy(7:0)","M_control_2":"52713","M_control_3":"48926","M_control_4":"54454","M_isoprenaline_1":"44122","M_isoprenaline_2":"40435","M_isoprenaline_3":"44864","M_isoprenaline_4":"39150"},{"Metabolite":"3-Hydroxyisoheptanoicacid","M_control_2":"13935","M_control_3":"18752","M_control_4":"0","M_isoprenaline_1":"0","M_isoprenaline_2":"16310","M_isoprenaline_3":"19284","M_isoprenaline_4":"0"},{"Metabolite":"O-Acetyl-L-serine","M_control_2":"73679","M_control_3":"78313","M_control_4":"86575","M_isoprenaline_1":"76529","M_isoprenaline_2":"225127","M_isoprenaline_3":"61227","M_isoprenaline_4":"87456"},{"Metabolite":"L-Glutamate","M_control_2":"6683007","M_control_3":"6559542","M_control_4":"6691357","M_isoprenaline_1":"6473873","M_isoprenaline_2":"54952732","M_isoprenaline_3":"6743011","M_isoprenaline_4":"6647606"},{"Metabolite":"N-hydroxyisoleucine","M_control_2":"0","M_control_3":"0","M_control_4":"0","M_isoprenaline_1":"0","M_isoprenaline_2":"19112","M_isoprenaline_3":"0","M_isoprenaline_4":"0"},{"Metabolite":"D-Xylonolactone","M_control_2":"313020","M_control_3":"277688","M_control_4":"283598","M_isoprenaline_1":"259606","M_isoprenaline_2":"765052","M_isoprenaline_3":"261048","M_isoprenaline_4":"282573"},{"Metabolite":"(R)-2,3-Dihydroxy-3-methylpentanoate","M_control_2":"53398","M_control_3":"48475","M_control_4":"56211","M_isoprenaline_1":"121748","M_isoprenaline_2":"40128","M_isoprenaline_3":"43402","M_isoprenaline_4":"52066"},{"Metabolite":"(S,S)-Tartaric acid","M_control_2":"252652","M_control_3":"241687","M_control_4":"257152","M_isoprenaline_1":"252684","M_isoprenaline_2":"260688","M_isoprenaline_3":"242232","M_isoprenaline_4":"266193"},{"Metabolite":"D-Ribose","M_control_2":"39858","M_control_3":"18304","M_control_4":"18123","M_isoprenaline_1":"35424","M_isoprenaline_2":"95796","M_isoprenaline_3":"19381","M_isoprenaline_4":"19595"},{"Metabolite":"L-Arabinose","M_control_2":"344914","M_control_3":"315991","M_control_4":"336289","M_isoprenaline_1":"323359","M_isoprenaline_2":"327406","M_isoprenaline_3":"375494","M_isoprenaline_4":"361207"},{"Metabolite":"Dipropyl disulfide","M_control_2":"0","M_control_3":"0","M_control_4":"0","M_isoprenaline_1":"0","M_isoprenaline_2":"41831","M_isoprenaline_3":"18180","M_isoprenaline_4":"14791"},{"Metabolite":"Phenylpropanoate","M_control_2":"68927","M_control_3":"70641","M_control_4":"60736","M_isoprenaline_1":"57365","M_isoprenaline_2":"75960","M_isoprenaline_3":"60200","M_isoprenaline_4":"72565"},{"Metabolite":"Xanthine","M_control_2":"430957","M_control_3":"427702","M_control_4":"514630","M_isoprenaline_1":"470033","M_isoprenaline_2":"1541637","M_isoprenaline_3":"447120","M_isoprenaline_4":"459176"},{"Metabolite":"3,4-Dihydroxyphenylacetaldehyde","M_control_2":"0","M_control_3":"0","M_control_4":"0","M_isoprenaline_1":"0","M_isoprenaline_2":"8856","M_isoprenaline_3":"0","M_isoprenaline_4":"0"},{"Metabolite":"Xylitol","M_control_2":"161934","M_control_3":"190116","M_control_4":"176239","M_isoprenaline_1":"172207","M_isoprenaline_2":"255376","M_isoprenaline_3":"177721","M_isoprenaline_4":"173492"},{"Metabolite":"3-Isopropylcatechol","M_control_2":"0","M_control_3":"0","M_control_4":"0","M_isoprenaline_1":"0","M_isoprenaline_2":"0","M_isoprenaline_3":"0","M_isoprenaline_4":"0"},{"Metabolite":"3-sulfopropanoate","M_control_2":"8291","M_control_3":"16535","M_control_4":"13231","M_isoprenaline_1":"13753","M_isoprenaline_2":"196342","M_isoprenaline_3":"12680","M_isoprenaline_4":"15239"},{"Metabolite":"Imidazol-5-yl-pyruvate","M_control_2":"19191","M_control_3":"0","M_control_4":"13333","M_isoprenaline_1":"0","M_isoprenaline_2":"37385","M_isoprenaline_3":"11169","M_isoprenaline_4":"0"},{"Metabolite":"3-(Pyrazol-1-yl)-L-alanine","M_control_2":"35768","M_control_3":"35645","M_control_4":"48678","M_isoprenaline_1":"41146","M_isoprenaline_2":"143421","M_isoprenaline_3":"44114","M_isoprenaline_4":"47933"},{"Metabolite":"L-Histidine","M_control_2":"371769","M_control_3":"362352","M_control_4":"348282","M_isoprenaline_1":"548163","M_isoprenaline_2":"861299","M_isoprenaline_3":"519564","M_isoprenaline_4":"498557"},{"Metabolite":"4-Imidazolone-5-propanoate","M_control_2":"0","M_control_3":"0","M_control_4":"0","M_isoprenaline_1":"0","M_isoprenaline_2":"0","M_isoprenaline_3":"0","M_isoprenaline_4":"0"},{"Metabolite":"[FA oxo(8:1)] 5-oxo-7-octenoic acid","M_control_2":"12877","M_control_3":"13286","M_control_4":"18134","M_isoprenaline_1":"13769","M_isoprenaline_2":"25346","M_isoprenaline_3":"15331","M_isoprenaline_4":"18299"},{"Metabolite":"(S)(+)-Allantoin","M_control_2":"110564","M_control_3":"95293","M_control_4":"101023","M_isoprenaline_1":"111618","M_isoprenaline_2":"355488","M_isoprenaline_3":"107949","M_isoprenaline_4":"102621"},{"Metabolite":"2-Isopropylmaleate","M_control_2":"117467","M_control_3":"119498","M_control_4":"107490","M_isoprenaline_1":"133838","M_isoprenaline_2":"116092","M_isoprenaline_3":"48513","M_isoprenaline_4":"95305"},{"Metabolite":"Ethyl 3-oxohexanoate","M_control_2":"136502","M_control_3":"104568","M_control_4":"137199","M_isoprenaline_1":"146142","M_isoprenaline_2":"134233","M_isoprenaline_3":"134232","M_isoprenaline_4":"128232"},{"Metabolite":"FA oxo(8:0) oxo-octanoic acid","M_control_2":"81824","M_control_3":"67242","M_control_4":"81106","M_isoprenaline_1":"86099","M_isoprenaline_2":"81687","M_isoprenaline_3":"110765","M_isoprenaline_4":"82678"},{"Metabolite":"FA methyl(8:0)","M_control_2":"816088","M_control_3":"841419","M_control_4":"782531","M_isoprenaline_1":"907874","M_isoprenaline_2":"794043","M_isoprenaline_3":"856707","M_isoprenaline_4":"835904"},{"Metabolite":"5-Acetamidopentanoate","M_control_2":"103056","M_control_3":"253103","M_control_4":"155915","M_isoprenaline_1":"174828","M_isoprenaline_2":"186421","M_isoprenaline_3":"215793","M_isoprenaline_4":"192211"},{"Metabolite":"Dihydro-3-hydroxy-3-(1-hydroxyethyl)-4-methylfuran-2(3H)-one","M_control_2":"59457","M_control_3":"25784","M_control_4":"26169","M_isoprenaline_1":"73529","M_isoprenaline_2":"46487","M_isoprenaline_3":"17779","M_isoprenaline_4":"23996"},{"Metabolite":"3-Methyladipicacid","M_control_2":"36574","M_control_3":"24789","M_control_4":"50244","M_isoprenaline_1":"94869","M_isoprenaline_2":"45467","M_isoprenaline_3":"32707","M_isoprenaline_4":"70601"},{"Metabolite":"FA hydroxy(8:0) hydroxy-octanoic acid","M_control_2":"163753","M_control_3":"202818","M_control_4":"201372","M_isoprenaline_1":"180387","M_isoprenaline_2":"230156","M_isoprenaline_3":"233575","M_isoprenaline_4":"166952"},{"Metabolite":"Ethyl (R)-3-hydroxyhexanoate","M_control_2":"75357","M_control_3":"68117","M_control_4":"73247","M_isoprenaline_1":"63756","M_isoprenaline_2":"60113","M_isoprenaline_3":"76791","M_isoprenaline_4":"79726"},{"Metabolite":"O-Acetyl-L-homoserine","M_control_2":"38991","M_control_3":"35057","M_control_4":"37012","M_isoprenaline_1":"59996","M_isoprenaline_2":"111668","M_isoprenaline_3":"64389","M_isoprenaline_4":"77320"},{"Metabolite":"L-Methionine S-oxide","M_control_2":"107197","M_control_3":"100983","M_control_4":"114265","M_isoprenaline_1":"100139","M_isoprenaline_2":"135040","M_isoprenaline_3":"94830","M_isoprenaline_4":"83076"},{"Metabolite":"Phthalate","M_control_2":"1140138","M_control_3":"900905","M_control_4":"1146198","M_isoprenaline_1":"1144073","M_isoprenaline_2":"2459097","M_isoprenaline_3":"1162230","M_isoprenaline_4":"919723"},{"Metabolite":"Terephthalate","M_control_2":"719471","M_control_3":"724819","M_control_4":"735283","M_isoprenaline_1":"687152","M_isoprenaline_2":"1546177","M_isoprenaline_3":"686893","M_isoprenaline_4":"687316"},{"Metabolite":"4-Hydroxyphenylglyoxylate","M_control_2":"1065975","M_control_3":"938156","M_control_4":"934958","M_isoprenaline_1":"999382","M_isoprenaline_2":"2085110","M_isoprenaline_3":"980068","M_isoprenaline_4":"961641"},{"Metabolite":"isophthalate","M_control_2":"838255","M_control_3":"893329","M_control_4":"861919","M_isoprenaline_1":"941910","M_isoprenaline_2":"1115834","M_isoprenaline_3":"844728","M_isoprenaline_4":"918202"},{"Metabolite":"L-Lyxonate","M_control_2":"134687","M_control_3":"120551","M_control_4":"122241","M_isoprenaline_1":"116691","M_isoprenaline_2":"361488","M_isoprenaline_3":"115802","M_isoprenaline_4":"107438"},{"Metabolite":"D-Xylonate","M_control_2":"85400","M_control_3":"89189","M_control_4":"79602","M_isoprenaline_1":"79214","M_isoprenaline_2":"297681","M_isoprenaline_3":"77314","M_isoprenaline_4":"82244"},{"Metabolite":"L-Xylonate","M_control_2":"44891","M_control_3":"38671","M_control_4":"58616","M_isoprenaline_1":"56458","M_isoprenaline_2":"263755","M_isoprenaline_3":"56238","M_isoprenaline_4":"51835"},{"Metabolite":"10-oxogeranial","M_control_2":"0","M_control_3":"0","M_control_4":"0","M_isoprenaline_1":"0","M_isoprenaline_2":"8185","M_isoprenaline_3":"0","M_isoprenaline_4":"0"},{"Metabolite":"Phosphoenolpyruvate","M_control_2":"0","M_control_3":"0","M_control_4":"0","M_isoprenaline_1":"0","M_isoprenaline_2":"5878","M_isoprenaline_3":"0","M_isoprenaline_4":"0"},{"Metabolite":"Urate","M_control_2":"378302","M_control_3":"433933","M_control_4":"418271","M_isoprenaline_1":"435495","M_isoprenaline_2":"2481499","M_isoprenaline_3":"437858","M_isoprenaline_4":"416555"},{"Metabolite":"Phosphodimethylethanolamine","M_control_2":"0","M_control_3":"0","M_control_4":"0","M_isoprenaline_1":"0","M_isoprenaline_2":"96866","M_isoprenaline_3":"0","M_isoprenaline_4":"0"},{"Metabolite":"(S)-2-O-Sulfolactate","M_control_2":"35463","M_control_3":"28498","M_control_4":"33012","M_isoprenaline_1":"38470","M_isoprenaline_2":"38610","M_isoprenaline_3":"38647","M_isoprenaline_4":"29933"},{"Metabolite":"D-Glyceraldehyde 3-phosphate","M_control_2":"6977","M_control_3":"7035","M_control_4":"6210","M_isoprenaline_1":"6888","M_isoprenaline_2":"42160","M_isoprenaline_3":"6024","M_isoprenaline_4":"6945"},{"Metabolite":"Furfural diethyl acetal","M_control_2":"18172","M_control_3":"0","M_control_4":"18749","M_isoprenaline_1":"23130","M_isoprenaline_2":"20673","M_isoprenaline_3":"14861","M_isoprenaline_4":"16242"},{"Metabolite":"2,3,4,5-Tetrahydrodipicolinate","M_control_2":"0","M_control_3":"0","M_control_4":"0","M_isoprenaline_1":"0","M_isoprenaline_2":"0","M_isoprenaline_3":"0","M_isoprenaline_4":"0"},{"Metabolite":"sn-Glycerol 3-phosphate","M_control_2":"26148","M_control_3":"24332","M_control_4":"20340","M_isoprenaline_1":"27559","M_isoprenaline_2":"143453","M_isoprenaline_3":"25348","M_isoprenaline_4":"21248"},{"Metabolite":"2-Octenedioicacid","M_control_2":"20696","M_control_3":"20061","M_control_4":"19162","M_isoprenaline_1":"20539","M_isoprenaline_2":"39796","M_isoprenaline_3":"20793","M_isoprenaline_4":"22536"},{"Metabolite":"cis-4-Octenedioicacid","M_control_2":"72678","M_control_3":"62425","M_control_4":"110930","M_isoprenaline_1":"238026","M_isoprenaline_2":"97219","M_isoprenaline_3":"70467","M_isoprenaline_4":"89117"},{"Metabolite":"FA oxo(9:0) oxo-nonanoic acid","M_control_2":"181542","M_control_3":"251180","M_control_4":"174111","M_isoprenaline_1":"173352","M_isoprenaline_2":"149799","M_isoprenaline_3":"293339","M_isoprenaline_4":"162044"},{"Metabolite":"9-Oxononanoic acid","M_control_2":"109829","M_control_3":"115669","M_control_4":"144492","M_isoprenaline_1":"137453","M_isoprenaline_2":"145764","M_isoprenaline_3":"139460","M_isoprenaline_4":"116162"},{"Metabolite":"[FA oxo(9:0)] 2-oxo-nonanoic acid","M_control_2":"155808","M_control_3":"176991","M_control_4":"170306","M_isoprenaline_1":"153182","M_isoprenaline_2":"161322","M_isoprenaline_3":"153237","M_isoprenaline_4":"182614"},{"Metabolite":"Decanoic acid","M_control_2":"289305","M_control_3":"373880","M_control_4":"333326","M_isoprenaline_1":"314230","M_isoprenaline_2":"308575","M_isoprenaline_3":"306015","M_isoprenaline_4":"313701"},{"Metabolite":"Isovalerylalanine","M_control_2":"76256","M_control_3":"35201","M_control_4":"52563","M_isoprenaline_1":"100369","M_isoprenaline_2":"156778","M_isoprenaline_3":"70902","M_isoprenaline_4":"82992"},{"Metabolite":"N-Acetyl-L-leucine","M_control_2":"53764","M_control_3":"25110","M_control_4":"52563","M_isoprenaline_1":"26830","M_isoprenaline_2":"57004","M_isoprenaline_3":"27668","M_isoprenaline_4":"50286"},{"Metabolite":"Hexanoylglycine","M_control_2":"59833","M_control_3":"50169","M_control_4":"75411","M_isoprenaline_1":"66832","M_isoprenaline_2":"90383","M_isoprenaline_3":"62945","M_isoprenaline_4":"69192"},{"Metabolite":"Phenol sulfate","M_control_2":"100787","M_control_3":"96604","M_control_4":"94224","M_isoprenaline_1":"99558","M_isoprenaline_2":"117349","M_isoprenaline_3":"96946","M_isoprenaline_4":"95103"},{"Metabolite":"p-Phenolsulfonic acid","M_control_2":"55769","M_control_3":"62474","M_control_4":"68711","M_isoprenaline_1":"60852","M_isoprenaline_2":"69856","M_isoprenaline_3":"56336","M_isoprenaline_4":"52283"},{"Metabolite":"cis-Aconitate","M_control_2":"169451","M_control_3":"161526","M_control_4":"157238","M_isoprenaline_1":"161102","M_isoprenaline_2":"206028","M_isoprenaline_3":"171918","M_isoprenaline_4":"178597"},{"Metabolite":"(2S)-2-Isopropyl-3-oxosuccinate","M_control_2":"0","M_control_3":"0","M_control_4":"0","M_isoprenaline_1":"0","M_isoprenaline_2":"16775","M_isoprenaline_3":"0","M_isoprenaline_4":"0"},{"Metabolite":"Dimethyl adipate","M_control_2":"244514","M_control_3":"224063","M_control_4":"251836","M_isoprenaline_1":"237253","M_isoprenaline_2":"245153","M_isoprenaline_3":"185969","M_isoprenaline_4":"229634"},{"Metabolite":"Suberic acid","M_control_2":"87441","M_control_3":"94368","M_control_4":"96968","M_isoprenaline_1":"129044","M_isoprenaline_2":"90807","M_isoprenaline_3":"105087","M_isoprenaline_4":"100025"},{"Metabolite":"[FA hydroxy(9:0)] 3-hydroxy-nonanoic acid","M_control_2":"84737","M_control_3":"63089","M_control_4":"82445","M_isoprenaline_1":"79960","M_isoprenaline_2":"71753","M_isoprenaline_3":"98227","M_isoprenaline_4":"61782"},{"Metabolite":"[FA hydroxy(9:0)] 2-hydroxy-nonanoic acid","M_control_2":"61885","M_control_3":"53721","M_control_4":"79031","M_isoprenaline_1":"53395","M_isoprenaline_2":"59337","M_isoprenaline_3":"60224","M_isoprenaline_4":"27597"},{"Metabolite":"FA hydroxy(9:0) hydroxy-nonanoic acid","M_control_2":"63554","M_control_3":"84448","M_control_4":"298550","M_isoprenaline_1":"164618","M_isoprenaline_2":"237769","M_isoprenaline_3":"162563","M_isoprenaline_4":"77796"},{"Metabolite":"N-Acetyl-L-aspartate","M_control_2":"540442","M_control_3":"464176","M_control_4":"511135","M_isoprenaline_1":"526089","M_isoprenaline_2":"4222770","M_isoprenaline_3":"530812","M_isoprenaline_4":"525630"},{"Metabolite":"N-Acetylindoxyl","M_control_2":"213850","M_control_3":"215375","M_control_4":"217334","M_isoprenaline_1":"271351","M_isoprenaline_2":"392149","M_isoprenaline_3":"219691","M_isoprenaline_4":"234895"},{"Metabolite":"Ascorbate","M_control_2":"0","M_control_3":"0","M_control_4":"0","M_isoprenaline_1":"0","M_isoprenaline_2":"0","M_isoprenaline_3":"0","M_isoprenaline_4":"0"},{"Metabolite":"N-Carbamoyl-L-aspartate","M_control_2":"0","M_control_3":"0","M_control_4":"0","M_isoprenaline_1":"0","M_isoprenaline_2":"17485","M_isoprenaline_3":"0","M_isoprenaline_4":"0"},{"Metabolite":"4-oxo-4-(3-pyridyl)-butanoate","M_control_2":"3213466","M_control_3":"3233754","M_control_4":"3296453","M_isoprenaline_1":"3235281","M_isoprenaline_2":"6403378","M_isoprenaline_3":"3278011","M_isoprenaline_4":"3323114"},{"Metabolite":"Hippurate","M_control_2":"3775124","M_control_3":"3583096","M_control_4":"3951451","M_isoprenaline_1":"3432229","M_isoprenaline_2":"5348527","M_isoprenaline_3":"3521527","M_isoprenaline_4":"4002671"},{"Metabolite":"2,5,6-Trihydroxy-5,6-dihydroquinoline","M_control_2":"112194","M_control_3":"111213","M_control_4":"111934","M_isoprenaline_1":"108613","M_isoprenaline_2":"163964","M_isoprenaline_3":"114754","M_isoprenaline_4":"114926"},{"Metabolite":"propiin","M_control_2":"0","M_control_3":"0","M_control_4":"0","M_isoprenaline_1":"0","M_isoprenaline_2":"37782","M_isoprenaline_3":"0","M_isoprenaline_4":"0"},{"Metabolite":"D-Mannose","M_control_2":"1343371","M_control_3":"1273337","M_control_4":"1346042","M_isoprenaline_1":"1328275","M_isoprenaline_2":"1183308","M_isoprenaline_3":"1324901","M_isoprenaline_4":"1290487"},{"Metabolite":"D-Glucose","M_control_2":"6627944","M_control_3":"6909834","M_control_4":"6801503","M_isoprenaline_1":"6829905","M_isoprenaline_2":"6495960","M_isoprenaline_3":"6909936","M_isoprenaline_4":"6899349"},{"Metabolite":"D-Galactose","M_control_2":"7204904","M_control_3":"6671200","M_control_4":"7339663","M_isoprenaline_1":"7185946","M_isoprenaline_2":"6863242","M_isoprenaline_3":"7537110","M_isoprenaline_4":"7304540"},{"Metabolite":"3-(4-Hydroxyphenyl)lactate","M_control_2":"470487","M_control_3":"476629","M_control_4":"432545","M_isoprenaline_1":"438013","M_isoprenaline_2":"1139299","M_isoprenaline_3":"445207","M_isoprenaline_4":"460436"},{"Metabolite":"D-Sorbitol","M_control_2":"3132040","M_control_3":"3039258","M_control_4":"3082223","M_isoprenaline_1":"2987038","M_isoprenaline_2":"4599231","M_isoprenaline_3":"3160309","M_isoprenaline_4":"3093876"},{"Metabolite":"[PR] Iridotrial","M_control_2":"0","M_control_3":"0","M_control_4":"0","M_isoprenaline_1":"0","M_isoprenaline_2":"11584","M_isoprenaline_3":"0","M_isoprenaline_4":"0"},{"Metabolite":"Nalpha,Nalpha-Dimethyl-L-histidine","M_control_2":"0","M_control_3":"0","M_control_4":"0","M_isoprenaline_1":"0","M_isoprenaline_2":"7812","M_isoprenaline_3":"0","M_isoprenaline_4":"0"},{"Metabolite":"3-Phospho-D-glycerate","M_control_2":"0","M_control_3":"0","M_control_4":"0","M_isoprenaline_1":"0","M_isoprenaline_2":"7064","M_isoprenaline_3":"0","M_isoprenaline_4":"0"},{"Metabolite":"7,8-diketopelargonate","M_control_2":"66115","M_control_3":"58098","M_control_4":"71058","M_isoprenaline_1":"111533","M_isoprenaline_2":"67104","M_isoprenaline_3":"70535","M_isoprenaline_4":"77791"},{"Metabolite":"FA oxo(10:0)","M_control_2":"39566","M_control_3":"38182","M_control_4":"31480","M_isoprenaline_1":"40260","M_isoprenaline_2":"30434","M_isoprenaline_3":"25647","M_isoprenaline_4":"25443"},{"Metabolite":"[FA (11:0)] undecanoic acid","M_control_2":"44691","M_control_3":"102115","M_control_4":"90421","M_isoprenaline_1":"54071","M_isoprenaline_2":"70751","M_isoprenaline_3":"52014","M_isoprenaline_4":"95694"},{"Metabolite":"8-Amino-7-oxononanoate","M_control_2":"707178","M_control_3":"808061","M_control_4":"847281","M_isoprenaline_1":"846110","M_isoprenaline_2":"1020056","M_isoprenaline_3":"933917","M_isoprenaline_4":"859707"},{"Metabolite":"2-oxosuberate","M_control_2":"0","M_control_3":"0","M_control_4":"0","M_isoprenaline_1":"0","M_isoprenaline_2":"29877","M_isoprenaline_3":"17494","M_isoprenaline_4":"0"},{"Metabolite":"Azelaic acid","M_control_2":"62326","M_control_3":"73538","M_control_4":"90912","M_isoprenaline_1":"92862","M_isoprenaline_2":"88109","M_isoprenaline_3":"122971","M_isoprenaline_4":"75000"},{"Metabolite":"FA hydroxy(10:0)","M_control_2":"18451","M_control_3":"17065","M_control_4":"39738","M_isoprenaline_1":"25826","M_isoprenaline_2":"25507","M_isoprenaline_3":"31189","M_isoprenaline_4":"20375"},{"Metabolite":"N-Acetyl-L-glutamate","M_control_2":"306968","M_control_3":"260499","M_control_4":"317213","M_isoprenaline_1":"223110","M_isoprenaline_2":"503476","M_isoprenaline_3":"240860","M_isoprenaline_4":"262319"},{"Metabolite":"2 -(Butylamido)-4-hydroxybutanoic acid","M_control_2":"0","M_control_3":"0","M_control_4":"0","M_isoprenaline_1":"0","M_isoprenaline_2":"22529","M_isoprenaline_3":"0","M_isoprenaline_4":"0"},{"Metabolite":"3-Dehydroquinate","M_control_2":"129126","M_control_3":"119562","M_control_4":"128676","M_isoprenaline_1":"122335","M_isoprenaline_2":"361212","M_isoprenaline_3":"135073","M_isoprenaline_4":"136867"},{"Metabolite":"N-Carbamyl-L-glutamate","M_control_2":"4521","M_control_3":"4882","M_control_4":"0","M_isoprenaline_1":"6059","M_isoprenaline_2":"15879","M_isoprenaline_3":"0","M_isoprenaline_4":"0"},{"Metabolite":"7-Ethoxycoumarin","M_control_2":"231745","M_control_3":"230868","M_control_4":"242444","M_isoprenaline_1":"219510","M_isoprenaline_2":"214320","M_isoprenaline_3":"194006","M_isoprenaline_4":"208296"},{"Metabolite":"N5-acetyl-N5-hydroxy-L-ornithine","M_control_2":"0","M_control_3":"0","M_control_4":"0","M_isoprenaline_1":"0","M_isoprenaline_2":"0","M_isoprenaline_3":"0","M_isoprenaline_4":"0"},{"Metabolite":"N-Acetylmethionine","M_control_2":"0","M_control_3":"0","M_control_4":"0","M_isoprenaline_1":"0","M_isoprenaline_2":"0","M_isoprenaline_3":"0","M_isoprenaline_4":"0"},{"Metabolite":"Citrate","M_control_2":"1422784","M_control_3":"1342214","M_control_4":"1404785","M_isoprenaline_1":"1658045","M_isoprenaline_2":"1624897","M_isoprenaline_3":"1561968","M_isoprenaline_4":"1809752"},{"Metabolite":"Quinate","M_control_2":"7832","M_control_3":"8818","M_control_4":"0","M_isoprenaline_1":"8615","M_isoprenaline_2":"27535","M_isoprenaline_3":"9991","M_isoprenaline_4":"9471"},{"Metabolite":"Oxoamide","M_control_2":"12567","M_control_3":"17469","M_control_4":"0","M_isoprenaline_1":"0","M_isoprenaline_2":"31285","M_isoprenaline_3":"0","M_isoprenaline_4":"15845"},{"Metabolite":"Thymyl acetate","M_control_2":"0","M_control_3":"0","M_control_4":"0","M_isoprenaline_1":"0","M_isoprenaline_2":"0","M_isoprenaline_3":"0","M_isoprenaline_4":"0"},{"Metabolite":"γ-thiomethyl glutamate","M_control_2":"0","M_control_3":"0","M_control_4":"0","M_isoprenaline_1":"0","M_isoprenaline_2":"0","M_isoprenaline_3":"0","M_isoprenaline_4":"0"},{"Metabolite":"Ferulate","M_control_2":"243349","M_control_3":"195579","M_control_4":"205223","M_isoprenaline_1":"228503","M_isoprenaline_2":"241049","M_isoprenaline_3":"198423","M_isoprenaline_4":"214692"},{"Metabolite":"1-O-Methyl-myo-inositol","M_control_2":"49967","M_control_3":"85543","M_control_4":"68730","M_isoprenaline_1":"63685","M_isoprenaline_2":"44860","M_isoprenaline_3":"63226","M_isoprenaline_4":"71506"},{"Metabolite":"Oxidized Latia luciferin","M_control_2":"0","M_control_3":"0","M_control_4":"0","M_isoprenaline_1":"0","M_isoprenaline_2":"0","M_isoprenaline_3":"0","M_isoprenaline_4":"0"},{"Metabolite":"1-thio-β-D-glucose","M_control_2":"73685","M_control_3":"75947","M_control_4":"66340","M_isoprenaline_1":"98592","M_isoprenaline_2":"108354","M_isoprenaline_3":"87090","M_isoprenaline_4":"109361"},{"Metabolite":"D-Gluconic acid","M_control_2":"256371","M_control_3":"259797","M_control_4":"224697","M_isoprenaline_1":"258631","M_isoprenaline_2":"874683","M_isoprenaline_3":"273187","M_isoprenaline_4":"265528"},{"Metabolite":"Tauropine","M_control_2":"0","M_control_3":"0","M_control_4":"0","M_isoprenaline_1":"0","M_isoprenaline_2":"0","M_isoprenaline_3":"0","M_isoprenaline_4":"0"},{"Metabolite":"gamma-Glutamyl-beta-aminopropiononitrile","M_control_2":"0","M_control_3":"0","M_control_4":"0","M_isoprenaline_1":"0","M_isoprenaline_2":"15439","M_isoprenaline_3":"0","M_isoprenaline_4":"0"},{"Metabolite":"D-Erythrose 4-phosphate","M_control_2":"0","M_control_3":"0","M_control_4":"0","M_isoprenaline_1":"0","M_isoprenaline_2":"0","M_isoprenaline_3":"0","M_isoprenaline_4":"0"},{"Metabolite":"Dodecanoic acid","M_control_2":"4090828","M_control_3":"6861112","M_control_4":"4896232","M_isoprenaline_1":"4339991","M_isoprenaline_2":"3638884","M_isoprenaline_3":"5227488","M_isoprenaline_4":"3905742"},{"Metabolite":"S-Sulfo-L-cysteine","M_control_2":"93148","M_control_3":"90750","M_control_4":"90042","M_isoprenaline_1":"93959","M_isoprenaline_2":"506524","M_isoprenaline_3":"95483","M_isoprenaline_4":"88313"},{"Metabolite":"Diethyl 2-methyl-3-oxosuccinate","M_control_2":"0","M_control_3":"0","M_control_4":"0","M_isoprenaline_1":"0","M_isoprenaline_2":"20664","M_isoprenaline_3":"0","M_isoprenaline_4":"0"},{"Metabolite":"[FA (10:0/2:0)] Decanedioic acid","M_control_2":"36278","M_control_3":"37721","M_control_4":"35065","M_isoprenaline_1":"27794","M_isoprenaline_2":"37313","M_isoprenaline_3":"34292","M_isoprenaline_4":"40066"},{"Metabolite":"N2-Acetyl-L-aminoadipate","M_control_2":"0","M_control_3":"0","M_control_4":"0","M_isoprenaline_1":"0","M_isoprenaline_2":"0","M_isoprenaline_3":"0","M_isoprenaline_4":"0"},{"Metabolite":"O-Acetylcarnitine","M_control_2":"0","M_control_3":"0","M_control_4":"0","M_isoprenaline_1":"0","M_isoprenaline_2":"0","M_isoprenaline_3":"0","M_isoprenaline_4":"0"},{"Metabolite":"L-beta-aspartyl-L-alanine","M_control_2":"0","M_control_3":"0","M_control_4":"0","M_isoprenaline_1":"0","M_isoprenaline_2":"15447","M_isoprenaline_3":"0","M_isoprenaline_4":"0"},{"Metabolite":"4-Heptyloxyphenol","M_control_2":"0","M_control_3":"0","M_control_4":"0","M_isoprenaline_1":"0","M_isoprenaline_2":"18872","M_isoprenaline_3":"0","M_isoprenaline_4":"0"},{"Metabolite":"D-Glucarate","M_control_2":"0","M_control_3":"0","M_control_4":"0","M_isoprenaline_1":"0","M_isoprenaline_2":"7945","M_isoprenaline_3":"0","M_isoprenaline_4":"0"},{"Metabolite":"5-Hydroxyferulate","M_control_2":"0","M_control_3":"0","M_control_4":"0","M_isoprenaline_1":"0","M_isoprenaline_2":"0","M_isoprenaline_3":"0","M_isoprenaline_4":"0"},{"Metabolite":"Vanilpyruvicacid","M_control_2":"0","M_control_3":"13959","M_control_4":"0","M_isoprenaline_1":"0","M_isoprenaline_2":"15679","M_isoprenaline_3":"0","M_isoprenaline_4":"0"},{"Metabolite":"FA (13:2) tridecadienoic acid","M_control_2":"0","M_control_3":"0","M_control_4":"0","M_isoprenaline_1":"0","M_isoprenaline_2":"0","M_isoprenaline_3":"0","M_isoprenaline_4":"0"},{"Metabolite":"FA oxo(12:1)","M_control_2":"28079","M_control_3":"40760","M_control_4":"62623","M_isoprenaline_1":"32389","M_isoprenaline_2":"41806","M_isoprenaline_3":"52186","M_isoprenaline_4":"28825"},{"Metabolite":"(S)-ACPA","M_control_2":"0","M_control_3":"0","M_control_4":"0","M_isoprenaline_1":"0","M_isoprenaline_2":"0","M_isoprenaline_3":"0","M_isoprenaline_4":"0"},{"Metabolite":"FA methyl(12:0) dodecanoic acid","M_control_2":"97658","M_control_3":"360199","M_control_4":"138993","M_isoprenaline_1":"156655","M_isoprenaline_2":"128936","M_isoprenaline_3":"141882","M_isoprenaline_4":"108671"},{"Metabolite":"sn-glycero-3-Phosphoethanolamine","M_control_2":"27962","M_control_3":"20923","M_control_4":"25691","M_isoprenaline_1":"21271","M_isoprenaline_2":"88513","M_isoprenaline_3":"29337","M_isoprenaline_4":"29041"},{"Metabolite":"2-C-Methyl-D-erythritol 4-phosphate","M_control_2":"44509892","M_control_3":"43816116","M_control_4":"45585440","M_isoprenaline_1":"45621580","M_isoprenaline_2":"83334408","M_isoprenaline_3":"45256748","M_isoprenaline_4":"45943844"},{"Metabolite":"cis-(homo)3aconitate","M_control_2":"59388","M_control_3":"47203","M_control_4":"57009","M_isoprenaline_1":"68793","M_isoprenaline_2":"123302","M_isoprenaline_3":"71795","M_isoprenaline_4":"55882"},{"Metabolite":"Ile-Ser","M_control_2":"0","M_control_3":"0","M_control_4":"0","M_isoprenaline_1":"0","M_isoprenaline_2":"0","M_isoprenaline_3":"0","M_isoprenaline_4":"0"},{"Metabolite":"4-Amino-2-methyl-5-phosphomethylpyrimidine","M_control_2":"788930","M_control_3":"671855","M_control_4":"803583","M_isoprenaline_1":"762293","M_isoprenaline_2":"1829390","M_isoprenaline_3":"748145","M_isoprenaline_4":"764369"},{"Metabolite":"N-Acetyl-D-mannosaminolactone","M_control_2":"0","M_control_3":"0","M_control_4":"0","M_isoprenaline_1":"0","M_isoprenaline_2":"75076","M_isoprenaline_3":"0","M_isoprenaline_4":"0"},{"Metabolite":"5-Hydroxytryptophan","M_control_2":"37942","M_control_3":"47419","M_control_4":"28766","M_isoprenaline_1":"40387","M_isoprenaline_2":"78200","M_isoprenaline_3":"31161","M_isoprenaline_4":"44092"},{"Metabolite":"S-(3-oxo-3-carboxy-n-propyl)cysteine","M_control_2":"0","M_control_3":"0","M_control_4":"0","M_isoprenaline_1":"0","M_isoprenaline_2":"0","M_isoprenaline_3":"0","M_isoprenaline_4":"0"},{"Metabolite":"L-Histidinol phosphate","M_control_2":"1132138","M_control_3":"1128892","M_control_4":"1152324","M_isoprenaline_1":"1177146","M_isoprenaline_2":"2152624","M_isoprenaline_3":"1134557","M_isoprenaline_4":"1175276"},{"Metabolite":"Dillapiole","M_control_2":"137328","M_control_3":"125036","M_control_4":"128078","M_isoprenaline_1":"143122","M_isoprenaline_2":"124053","M_isoprenaline_3":"191115","M_isoprenaline_4":"132816"},{"Metabolite":"Apiole","M_control_2":"262355","M_control_3":"292545","M_control_4":"266641","M_isoprenaline_1":"263034","M_isoprenaline_2":"293716","M_isoprenaline_3":"313692","M_isoprenaline_4":"280249"},{"Metabolite":"Dehydrovomifoliol","M_control_2":"0","M_control_3":"0","M_control_4":"0","M_isoprenaline_1":"0","M_isoprenaline_2":"0","M_isoprenaline_3":"0","M_isoprenaline_4":"0"},{"Metabolite":"carbidopa","M_control_2":"0","M_control_3":"0","M_control_4":"0","M_isoprenaline_1":"0","M_isoprenaline_2":"0","M_isoprenaline_3":"0","M_isoprenaline_4":"0"},{"Metabolite":"1,8-Diazacyclotetradecane-2,9-dione","M_control_2":"29818562","M_control_3":"29803066","M_control_4":"29662586","M_isoprenaline_1":"31610734","M_isoprenaline_2":"37660992","M_isoprenaline_3":"29757934","M_isoprenaline_4":"31241890"},{"Metabolite":"[FA hydroxy(11:2/11:2)] 2R,9R-dihydroxy-3S,4S,7S,8S-diepoxy-5E,10-undecadien-1-ol","M_control_2":"0","M_control_3":"0","M_control_4":"0","M_isoprenaline_1":"0","M_isoprenaline_2":"8932","M_isoprenaline_3":"0","M_isoprenaline_4":"0"},{"Metabolite":"Traumatic acid","M_control_2":"18781","M_control_3":"0","M_control_4":"25967","M_isoprenaline_1":"42738","M_isoprenaline_2":"45925","M_isoprenaline_3":"30909","M_isoprenaline_4":"16898"},{"Metabolite":"Tetradecanoic acid","M_control_2":"3365832","M_control_3":"7335261","M_control_4":"4218770","M_isoprenaline_1":"3976857","M_isoprenaline_2":"3416685","M_isoprenaline_3":"4171963","M_isoprenaline_4":"3449184"},{"Metabolite":"D-Ribose 5-phosphate","M_control_2":"8646","M_control_3":"7471","M_control_4":"8753","M_isoprenaline_1":"0","M_isoprenaline_2":"28477","M_isoprenaline_3":"7529","M_isoprenaline_4":"0"},{"Metabolite":"Ile-Thr","M_control_2":"0","M_control_3":"0","M_control_4":"0","M_isoprenaline_1":"0","M_isoprenaline_2":"9212","M_isoprenaline_3":"0","M_isoprenaline_4":"0"},{"Metabolite":"L-beta-aspartyl-L-threonine","M_control_2":"0","M_control_3":"0","M_control_4":"0","M_isoprenaline_1":"5348","M_isoprenaline_2":"22293","M_isoprenaline_3":"6183","M_isoprenaline_4":"0"},{"Metabolite":"Bakkenolide A","M_control_2":"123242","M_control_3":"133148","M_control_4":"161470","M_isoprenaline_1":"158679","M_isoprenaline_2":"154238","M_isoprenaline_3":"158364","M_isoprenaline_4":"152631"},{"Metabolite":"3-Dimethylallyl-4-hydroxymandelic acid","M_control_2":"0","M_control_3":"0","M_control_4":"0","M_isoprenaline_1":"0","M_isoprenaline_2":"0","M_isoprenaline_3":"0","M_isoprenaline_4":"0"},{"Metabolite":"Latia luciferin","M_control_2":"0","M_control_3":"0","M_control_4":"29210.41406","M_isoprenaline_1":"0","M_isoprenaline_2":"37505.99219","M_isoprenaline_3":"20756.45117","M_isoprenaline_4":"0"},{"Metabolite":"FA oxo(14:1) cyclopentanebutanoic acid","M_control_2":"0","M_control_3":"0","M_control_4":"0","M_isoprenaline_1":"0","M_isoprenaline_2":"0","M_isoprenaline_3":"0","M_isoprenaline_4":"0"},{"Metabolite":"Trimetaphosphate","M_control_2":"868193.1875","M_control_3":"900862.0625","M_control_4":"963973.6875","M_isoprenaline_1":"768248.875","M_isoprenaline_2":"836631.6875","M_isoprenaline_3":"861316.3125","M_isoprenaline_4":"889869.5"},{"Metabolite":"2-isocapryloyl-3R-hydroxymethyl-γ-butyrolactone","M_control_2":"20624.12109","M_control_3":"16303.68555","M_control_4":"20362.0957","M_isoprenaline_1":"18757.69922","M_isoprenaline_2":"33478.96484","M_isoprenaline_3":"23706.86914","M_isoprenaline_4":"17649.12891"},{"Metabolite":"FA methyl(14:0)","M_control_2":"721763.625","M_control_3":"2595448.75","M_control_4":"1023583.375","M_isoprenaline_1":"1213266.5","M_isoprenaline_2":"755509.5625","M_isoprenaline_3":"1047211.75","M_isoprenaline_4":"922515.8125"},{"Metabolite":"L-Fucose 1-phosphate","M_control_2":"0","M_control_3":"0","M_control_4":"0","M_isoprenaline_1":"0","M_isoprenaline_2":"0","M_isoprenaline_3":"0","M_isoprenaline_4":"0"},{"Metabolite":"Pseudouridine","M_control_2":"221967.7813","M_control_3":"228711.3125","M_control_4":"212790.2344","M_isoprenaline_1":"254865.4531","M_isoprenaline_2":"691533.375","M_isoprenaline_3":"224454.3906","M_isoprenaline_4":"238012.75"},{"Metabolite":"FA methyl(14:0) dodecanedioic acid","M_control_2":"0","M_control_3":"66525.21094","M_control_4":"82693.67188","M_isoprenaline_1":"27441.66016","M_isoprenaline_2":"68941.14063","M_isoprenaline_3":"0","M_isoprenaline_4":"43199.90234"},{"Metabolite":"dihydrocamalexate","M_control_2":"0","M_control_3":"0","M_control_4":"0","M_isoprenaline_1":"0","M_isoprenaline_2":"0","M_isoprenaline_3":"0","M_isoprenaline_4":"0"},{"Metabolite":"Glycerophosphoglycerol","M_control_2":"0","M_control_3":"0","M_control_4":"0","M_isoprenaline_1":"0","M_isoprenaline_2":"35787.50781","M_isoprenaline_3":"0","M_isoprenaline_4":"0"},{"Metabolite":"5-6-Dihydrouridine","M_control_2":"0","M_control_3":"0","M_control_4":"0","M_isoprenaline_1":"0","M_isoprenaline_2":"106163.0703","M_isoprenaline_3":"0","M_isoprenaline_4":"0"},{"Metabolite":"L-beta-aspartyl-L-leucine","M_control_2":"0","M_control_3":"0","M_control_4":"0","M_isoprenaline_1":"0","M_isoprenaline_2":"17319.53906","M_isoprenaline_3":"0","M_isoprenaline_4":"0"},{"Metabolite":"Xanthoxin","M_control_2":"0","M_control_3":"39608.15625","M_control_4":"0","M_isoprenaline_1":"0","M_isoprenaline_2":"25373.54688","M_isoprenaline_3":"39231.84375","M_isoprenaline_4":"0"},{"Metabolite":"FA (16:3)","M_control_2":"0","M_control_3":"0","M_control_4":"0","M_isoprenaline_1":"0","M_isoprenaline_2":"0","M_isoprenaline_3":"0","M_isoprenaline_4":"0"},{"Metabolite":"ubiquinol-1","M_control_2":"0","M_control_3":"0","M_control_4":"0","M_isoprenaline_1":"0","M_isoprenaline_2":"0","M_isoprenaline_3":"0","M_isoprenaline_4":"0"},{"Metabolite":"N-Acetylvanilalanine","M_control_2":"0","M_control_3":"0","M_control_4":"0","M_isoprenaline_1":"0","M_isoprenaline_2":"0","M_isoprenaline_3":"0","M_isoprenaline_4":"0"},{"Metabolite":"5-L-Glutamyl-taurine","M_control_2":"0","M_control_3":"0","M_control_4":"0","M_isoprenaline_1":"0","M_isoprenaline_2":"0","M_isoprenaline_3":"0","M_isoprenaline_4":"0"},{"Metabolite":"FA(16:1)","M_control_2":"469525.8438","M_control_3":"3519742","M_control_4":"404730.4063","M_isoprenaline_1":"477166.2813","M_isoprenaline_2":"341146.7813","M_isoprenaline_3":"487337.4375","M_isoprenaline_4":"353016.4375"},{"Metabolite":"Hexadecanoic acid","M_control_2":"54027828","M_control_3":"95023192","M_control_4":"68405312","M_isoprenaline_1":"60583704","M_isoprenaline_2":"51485344","M_isoprenaline_3":"71538280","M_isoprenaline_4":"56708140"},{"Metabolite":"Ribothymidine","M_control_2":"0","M_control_3":"0","M_control_4":"0","M_isoprenaline_1":"0","M_isoprenaline_2":"0","M_isoprenaline_3":"0","M_isoprenaline_4":"0"},{"Metabolite":"glycerophosphoserine","M_control_2":"0","M_control_3":"0","M_control_4":"0","M_isoprenaline_1":"0","M_isoprenaline_2":"15691.47852","M_isoprenaline_3":"0","M_isoprenaline_4":"0"},{"Metabolite":"D-Glucose 6-phosphate","M_control_2":"7243.935547","M_control_3":"8815.086914","M_control_4":"8944.267578","M_isoprenaline_1":"10145.19531","M_isoprenaline_2":"15519.72363","M_isoprenaline_3":"7208.718262","M_isoprenaline_4":"10259.4043"},{"Metabolite":"L-gamma-glutamyl-L-isoleucine","M_control_2":"23391.66406","M_control_3":"24553.19141","M_control_4":"20364.25586","M_isoprenaline_1":"19257.61523","M_isoprenaline_2":"74453.41406","M_isoprenaline_3":"40236.95703","M_isoprenaline_4":"20415.23633"},{"Metabolite":"Lys-Asn","M_control_2":"0","M_control_3":"0","M_control_4":"0","M_isoprenaline_1":"0","M_isoprenaline_2":"0","M_isoprenaline_3":"0","M_isoprenaline_4":"0"},{"Metabolite":"sodium dodecyl sulfate","M_control_2":"5610322","M_control_3":"5420569.5","M_control_4":"11450788","M_isoprenaline_1":"9396424","M_isoprenaline_2":"4344760.5","M_isoprenaline_3":"7830037","M_isoprenaline_4":"3940670.75"},{"Metabolite":"2(alpha-D-Mannosyl)-D-glycerate","M_control_2":"0","M_control_3":"0","M_control_4":"6564.929199","M_isoprenaline_1":"0","M_isoprenaline_2":"38226.75391","M_isoprenaline_3":"0","M_isoprenaline_4":"0"},{"Metabolite":"FA methyl(16:1)","M_control_2":"143856.3906","M_control_3":"819506.875","M_control_4":"150043.5313","M_isoprenaline_1":"135816","M_isoprenaline_2":"101690.7031","M_isoprenaline_3":"157107.3906","M_isoprenaline_4":"99844.66406"},{"Metabolite":"FA oxo(16:0)","M_control_2":"149169.0625","M_control_3":"209326.5781","M_control_4":"146223.0469","M_isoprenaline_1":"154339.4375","M_isoprenaline_2":"135038.25","M_isoprenaline_3":"164926.5781","M_isoprenaline_4":"132384.8594"},{"Metabolite":"FA (17:0)","M_control_2":"1723199","M_control_3":"3670877.75","M_control_4":"2293955.25","M_isoprenaline_1":"1886361.5","M_isoprenaline_2":"1628986.75","M_isoprenaline_3":"2176246","M_isoprenaline_4":"1817075"},{"Metabolite":"FA hydroxy(16:0)] hexadecanoic acid","M_control_2":"58318.61719","M_control_3":"167172.3594","M_control_4":"66106.17969","M_isoprenaline_1":"67939.35156","M_isoprenaline_2":"68186.71094","M_isoprenaline_3":"95354.60938","M_isoprenaline_4":"108665.0859"},{"Metabolite":"1-O-(4-hydroxy-2-methylene-butanoyl)-beta-D-glucopyranose","M_control_2":"0","M_control_3":"0","M_control_4":"0","M_isoprenaline_1":"0","M_isoprenaline_2":"0","M_isoprenaline_3":"0","M_isoprenaline_4":"0"},{"Metabolite":"2-Ethylhexyl phthalate","M_control_2":"576815.3125","M_control_3":"568976.0625","M_control_4":"585580.5625","M_isoprenaline_1":"561750.625","M_isoprenaline_2":"673868.75","M_isoprenaline_3":"602228.875","M_isoprenaline_4":"483127.9063"},{"Metabolite":"[6]-Paradol","M_control_2":"0","M_control_3":"0","M_control_4":"32315.78906","M_isoprenaline_1":"0","M_isoprenaline_2":"31310.89648","M_isoprenaline_3":"0","M_isoprenaline_4":"0"},{"Metabolite":"[FA (18:3)] 9Z,12Z,15Z-octadecatrienoic acid","M_control_2":"660611.8125","M_control_3":"1213272.25","M_control_4":"852862.1875","M_isoprenaline_1":"747204.375","M_isoprenaline_2":"551189.125","M_isoprenaline_3":"853493.75","M_isoprenaline_4":"747017.3125"},{"Metabolite":"8-Oxocoformycin","M_control_2":"83680.99219","M_control_3":"82352.24219","M_control_4":"55302.47266","M_isoprenaline_1":"70953.78906","M_isoprenaline_2":"129937.3984","M_isoprenaline_3":"66432.97656","M_isoprenaline_4":"61289.53516"},{"Metabolite":"[FA (18:1)] 9Z-octadecenoic acid","M_control_2":"5718671.5","M_control_3":"12228960","M_control_4":"6859957.5","M_isoprenaline_1":"6287243.5","M_isoprenaline_2":"5050270","M_isoprenaline_3":"7348836","M_isoprenaline_4":"5565245.5"},{"Metabolite":"Octadecanoic acid","M_control_2":"73911416","M_control_3":"129288792","M_control_4":"92059920","M_isoprenaline_1":"79194800","M_isoprenaline_2":"70271256","M_isoprenaline_3":"97186752","M_isoprenaline_4":"75884272"},{"Metabolite":"Orotidine","M_control_2":"0","M_control_3":"0","M_control_4":"0","M_isoprenaline_1":"0","M_isoprenaline_2":"0","M_isoprenaline_3":"0","M_isoprenaline_4":"0"},{"Metabolite":"Ile-Ala-Ser","M_control_2":"121873.7266","M_control_3":"133813.125","M_control_4":"129106.375","M_isoprenaline_1":"129796.9922","M_isoprenaline_2":"379575.4688","M_isoprenaline_3":"135670.8438","M_isoprenaline_4":"144217.3281"},{"Metabolite":"D-Sedoheptulose 7-phosphate","M_control_2":"0","M_control_3":"0","M_control_4":"0","M_isoprenaline_1":"0","M_isoprenaline_2":"0","M_isoprenaline_3":"0","M_isoprenaline_4":"0"},{"Metabolite":"2,7-Anhydro-alpha-N-acetylneuraminic acid","M_control_2":"0","M_control_3":"0","M_control_4":"0","M_isoprenaline_1":"0","M_isoprenaline_2":"20182.48242","M_isoprenaline_3":"0","M_isoprenaline_4":"0"},{"Metabolite":"Trichodermin","M_control_2":"0","M_control_3":"0","M_control_4":"0","M_isoprenaline_1":"0","M_isoprenaline_2":"0","M_isoprenaline_3":"0","M_isoprenaline_4":"0"},{"Metabolite":"12-OPDA","M_control_2":"70733.30469","M_control_3":"60540.25391","M_control_4":"97634.375","M_isoprenaline_1":"78418.51563","M_isoprenaline_2":"90282.74219","M_isoprenaline_3":"55250.11328","M_isoprenaline_4":"94972.69531"},{"Metabolite":"Phytuberin","M_control_2":"522507.7813","M_control_3":"1230951.375","M_control_4":"595139.625","M_isoprenaline_1":"634138.8125","M_isoprenaline_2":"681993.25","M_isoprenaline_3":"705566.4375","M_isoprenaline_4":"578624.125"},{"Metabolite":"Aminoimidazole ribotide","M_control_2":"0","M_control_3":"0","M_control_4":"0","M_isoprenaline_1":"0","M_isoprenaline_2":"0","M_isoprenaline_3":"0","M_isoprenaline_4":"0"},{"Metabolite":"dehypoxanthine futalosine","M_control_2":"0","M_control_3":"0","M_control_4":"0","M_isoprenaline_1":"0","M_isoprenaline_2":"0","M_isoprenaline_3":"0","M_isoprenaline_4":"0"},{"Metabolite":"FA oxo(18:0)","M_control_2":"270248.125","M_control_3":"482599.7188","M_control_4":"314157.8125","M_isoprenaline_1":"310157.9688","M_isoprenaline_2":"288251.5","M_isoprenaline_3":"335105.9688","M_isoprenaline_4":"266733.4375"},{"Metabolite":"FA methyl(18:0)","M_control_2":"246606.5156","M_control_3":"450081.7188","M_control_4":"327368.7188","M_isoprenaline_1":"276340.125","M_isoprenaline_2":"246871.2188","M_isoprenaline_3":"372853.5625","M_isoprenaline_4":"263854.2188"},{"Metabolite":"Cinnavalininate","M_control_2":"0","M_control_3":"0","M_control_4":"0","M_isoprenaline_1":"0","M_isoprenaline_2":"0","M_isoprenaline_3":"0","M_isoprenaline_4":"0"},{"Metabolite":"[PR] Tretinoin/All-Trans Retinoic Acid","M_control_2":"32372.42969","M_control_3":"71327.375","M_control_4":"137480.5781","M_isoprenaline_1":"72406.34375","M_isoprenaline_2":"51129.67969","M_isoprenaline_3":"66758.34375","M_isoprenaline_4":"71377.94531"},{"Metabolite":"FA hydroxy(18:0)","M_control_2":"140190.125","M_control_3":"142292.2969","M_control_4":"145075","M_isoprenaline_1":"128743.1328","M_isoprenaline_2":"1969042.625","M_isoprenaline_3":"137938.3281","M_isoprenaline_4":"107250.3984"},{"Metabolite":"PIPES","M_control_2":"506101.3438","M_control_3":"502387.3438","M_control_4":"503644.3438","M_isoprenaline_1":"446368.75","M_isoprenaline_2":"1493527","M_isoprenaline_3":"491914.2813","M_isoprenaline_4":"489477.8438"},{"Metabolite":"Retinyl ester","M_control_2":"0","M_control_3":"0","M_control_4":"76399.85156","M_isoprenaline_1":"38917.30078","M_isoprenaline_2":"37117.21484","M_isoprenaline_3":"0","M_isoprenaline_4":"20685.77344"},{"Metabolite":"N-Acetyl-aspartyl-glutamate","M_control_2":"6349.644043","M_control_3":"8018.791992","M_control_4":"8369.845703","M_isoprenaline_1":"7922.792969","M_isoprenaline_2":"69084.29688","M_isoprenaline_3":"7351.521484","M_isoprenaline_4":"13633.59277"},{"Metabolite":"FA (20:4)","M_control_2":"0","M_control_3":"0","M_control_4":"0","M_isoprenaline_1":"0","M_isoprenaline_2":"0","M_isoprenaline_3":"0","M_isoprenaline_4":"0"},{"Metabolite":"2',3'-Cyclic CMP","M_control_2":"0","M_control_3":"0","M_control_4":"0","M_isoprenaline_1":"0","M_isoprenaline_2":"0","M_isoprenaline_3":"0","M_isoprenaline_4":"0"},{"Metabolite":"Inulicin","M_control_2":"0","M_control_3":"0","M_control_4":"0","M_isoprenaline_1":"0","M_isoprenaline_2":"0","M_isoprenaline_3":"0","M_isoprenaline_4":"0"},{"Metabolite":"FA methyl(18:2)","M_control_2":"252961.5156","M_control_3":"507848.9375","M_control_4":"307523.9688","M_isoprenaline_1":"389114.0625","M_isoprenaline_2":"245508.5","M_isoprenaline_3":"385381.6875","M_isoprenaline_4":"310046.25"},{"Metabolite":"N-Acetylneuraminate","M_control_2":"56456.98438","M_control_3":"64444.39063","M_control_4":"60330.96484","M_isoprenaline_1":"68024.58594","M_isoprenaline_2":"182097.5469","M_isoprenaline_3":"60909.88281","M_isoprenaline_4":"52219.58594"},{"Metabolite":"FA (20:0)","M_control_2":"1496504.75","M_control_3":"2464920.75","M_control_4":"1762878.5","M_isoprenaline_1":"1492408.5","M_isoprenaline_2":"1434362.75","M_isoprenaline_3":"1998869","M_isoprenaline_4":"1555040"},{"Metabolite":"Ala-Asn-Asn","M_control_2":"46402.14453","M_control_3":"49099.51563","M_control_4":"53709.51172","M_isoprenaline_1":"75197.33594","M_isoprenaline_2":"116087.1172","M_isoprenaline_3":"50788.07422","M_isoprenaline_4":"58712.12891"},{"Metabolite":"Met-Ala-Pro","M_control_2":"144847.7188","M_control_3":"155336.1563","M_control_4":"176769.4375","M_isoprenaline_1":"164371.4688","M_isoprenaline_2":"288108.8438","M_isoprenaline_3":"161803.9531","M_isoprenaline_4":"162655.0625"},{"Metabolite":"octulose 8-phosphate","M_control_2":"0","M_control_3":"0","M_control_4":"0","M_isoprenaline_1":"0","M_isoprenaline_2":"0","M_isoprenaline_3":"0","M_isoprenaline_4":"0"},{"Metabolite":"beta-Citryl-L-glutamic acid","M_control_2":"20532.57813","M_control_3":"19075.63281","M_control_4":"20380.66406","M_isoprenaline_1":"16485.02148","M_isoprenaline_2":"27742.08594","M_isoprenaline_3":"19659.82422","M_isoprenaline_4":"17800.88477"},{"Metabolite":"gamma-L-Glutamyl-L-cysteinyl-beta-alanine","M_control_2":"0","M_control_3":"0","M_control_4":"0","M_isoprenaline_1":"0","M_isoprenaline_2":"0","M_isoprenaline_3":"0","M_isoprenaline_4":"0"},{"Metabolite":"[FA trihydroxy(2:0)] 9S,11R,15S-trihydroxy-2,3-dinor-5Z,13E-prostadienoic acid-cyclo[8S,12R]","M_control_2":"0","M_control_3":"55824.92578","M_control_4":"0","M_isoprenaline_1":"0","M_isoprenaline_2":"9728.665039","M_isoprenaline_3":"0","M_isoprenaline_4":"0"},{"Metabolite":"Carnosol","M_control_2":"0","M_control_3":"0","M_control_4":"0","M_isoprenaline_1":"0","M_isoprenaline_2":"0","M_isoprenaline_3":"0","M_isoprenaline_4":"0"},{"Metabolite":"Ala-Ala-Asn-Gly","M_control_2":"334854.7813","M_control_3":"308929.2813","M_control_4":"333136.125","M_isoprenaline_1":"380056.8125","M_isoprenaline_2":"587723.1875","M_isoprenaline_3":"414386","M_isoprenaline_4":"352838.4375"},{"Metabolite":"sn-glycero-3-Phospho-1-inositol","M_control_2":"20407.62891","M_control_3":"18398.06641","M_control_4":"18698.22656","M_isoprenaline_1":"14725.59961","M_isoprenaline_2":"17822.13086","M_isoprenaline_3":"14927.25684","M_isoprenaline_4":"16671.19922"},{"Metabolite":"Psoralidin","M_control_2":"0","M_control_3":"0","M_control_4":"0","M_isoprenaline_1":"0","M_isoprenaline_2":"0","M_isoprenaline_3":"0","M_isoprenaline_4":"0"},{"Metabolite":"11-dehydro-2,3-dinor-TXB2","M_control_2":"0","M_control_3":"0","M_control_4":"0","M_isoprenaline_1":"0","M_isoprenaline_2":"0","M_isoprenaline_3":"0","M_isoprenaline_4":"0"},{"Metabolite":"Docosanoic acid","M_control_2":"245073.2188","M_control_3":"618591.6875","M_control_4":"304960.6875","M_isoprenaline_1":"301479.4688","M_isoprenaline_2":"234914.8125","M_isoprenaline_3":"366843.5313","M_isoprenaline_4":"271910.875"},{"Metabolite":"S-(Formylmethyl)glutathione","M_control_2":"0","M_control_3":"0","M_control_4":"0","M_isoprenaline_1":"0","M_isoprenaline_2":"0","M_isoprenaline_3":"0","M_isoprenaline_4":"0"},{"Metabolite":"15-Keto-prostaglandinE2","M_control_2":"0","M_control_3":"0","M_control_4":"0","M_isoprenaline_1":"0","M_isoprenaline_2":"0","M_isoprenaline_3":"0","M_isoprenaline_4":"0"},{"Metabolite":"13,14-Dihydro-15-oxo-lipoxin A4","M_control_2":"0","M_control_3":"0","M_control_4":"0","M_isoprenaline_1":"0","M_isoprenaline_2":"0","M_isoprenaline_3":"0","M_isoprenaline_4":"0"},{"Metabolite":"[FA trihydroxy(20:4)] 5S,12R,20-trihydroxy-6Z,8E,10E,14Z-eicosatetraenoic acid","M_control_2":"0","M_control_3":"0","M_control_4":"0","M_isoprenaline_1":"0","M_isoprenaline_2":"0","M_isoprenaline_3":"0","M_isoprenaline_4":"0"},{"Metabolite":"Phenolsulfonphthalein","M_control_2":"46385440","M_control_3":"46450952","M_control_4":"48422032","M_isoprenaline_1":"44502216","M_isoprenaline_2":"57771680","M_isoprenaline_3":"46281912","M_isoprenaline_4":"47565188"},{"Metabolite":"2-Hydroxy-1,3-dimethoxy-8,9-methylenedioxycoumestan","M_control_2":"1501837.75","M_control_3":"1567694.5","M_control_4":"1807560.5","M_isoprenaline_1":"1492435.875","M_isoprenaline_2":"2019211.875","M_isoprenaline_3":"1552377.125","M_isoprenaline_4":"1605170.75"},{"Metabolite":"5,3'-Dihydroxy-4',5'-dimethoxy-6,7-methylenedioxyisoflavone","M_control_2":"0","M_control_3":"0","M_control_4":"0","M_isoprenaline_1":"0","M_isoprenaline_2":"0","M_isoprenaline_3":"0","M_isoprenaline_4":"0"},{"Metabolite":"Miraxanthin-I","M_control_2":"273013.5938","M_control_3":"309825.6875","M_control_4":"322862","M_isoprenaline_1":"282113.5625","M_isoprenaline_2":"0","M_isoprenaline_3":"363980.6875","M_isoprenaline_4":"304350.5"},{"Metabolite":"Glu-Met-Ser","M_control_2":"0","M_control_3":"0","M_control_4":"0","M_isoprenaline_1":"0","M_isoprenaline_2":"0","M_isoprenaline_3":"0","M_isoprenaline_4":"0"},{"Metabolite":"9S,15S-dihydroxy-11-oxo-15-methyl-5Z,13E-prostadienoic acid","M_control_2":"0","M_control_3":"0","M_control_4":"0","M_isoprenaline_1":"0","M_isoprenaline_2":"0","M_isoprenaline_3":"0","M_isoprenaline_4":"0"},{"Metabolite":"Prostaglandin G2","M_control_2":"0","M_control_3":"0","M_control_4":"0","M_isoprenaline_1":"0","M_isoprenaline_2":"0","M_isoprenaline_3":"0","M_isoprenaline_4":"0"},{"Metabolite":"Tetracosanoic acid","M_control_2":"72461.02344","M_control_3":"297691.7813","M_control_4":"128143.1797","M_isoprenaline_1":"125541.7734","M_isoprenaline_2":"90006.0625","M_isoprenaline_3":"163921.0625","M_isoprenaline_4":"85679.61719"},{"Metabolite":"Ile-Cys-His","M_control_2":"120062.2891","M_control_3":"140130.2344","M_control_4":"110588.2656","M_isoprenaline_1":"138201.2344","M_isoprenaline_2":"133223.2813","M_isoprenaline_3":"104679.2734","M_isoprenaline_4":"117810.2422"},{"Metabolite":"(R)-S-Lactoylglutathione","M_control_2":"0","M_control_3":"0","M_control_4":"0","M_isoprenaline_1":"0","M_isoprenaline_2":"0","M_isoprenaline_3":"0","M_isoprenaline_4":"0"},{"Metabolite":"[SP] Sphing-4-enine-1-phosphate","M_control_2":"0","M_control_3":"0","M_control_4":"0","M_isoprenaline_1":"0","M_isoprenaline_2":"0","M_isoprenaline_3":"0","M_isoprenaline_4":"0"},{"Metabolite":"Met-Val-His","M_control_2":"930218.125","M_control_3":"997108","M_control_4":"1081465.875","M_isoprenaline_1":"1011703.25","M_isoprenaline_2":"1587042","M_isoprenaline_3":"970021.625","M_isoprenaline_4":"1620772.875"},{"Metabolite":"glutathione-sulfite","M_control_2":"0","M_control_3":"0","M_control_4":"0","M_isoprenaline_1":"0","M_isoprenaline_2":"0","M_isoprenaline_3":"0","M_isoprenaline_4":"0"},{"Metabolite":"Asp-Phe-Gly-Gly","M_control_2":"321962.5","M_control_3":"337006.5938","M_control_4":"350320.125","M_isoprenaline_1":"336493.7813","M_isoprenaline_2":"103529.2891","M_isoprenaline_3":"354235.0625","M_isoprenaline_4":"392361.9688"},{"Metabolite":"methyl 8-[3,5-epidioxy-2-(3-hydroperoxy-1-pentenyl)-cyclopentyl]-octanoate","M_control_2":"37948.26563","M_control_3":"0","M_control_4":"49181.36719","M_isoprenaline_1":"117452.8438","M_isoprenaline_2":"114606.5859","M_isoprenaline_3":"119687.2813","M_isoprenaline_4":"78409.92188"},{"Metabolite":"CDP","M_control_2":"0","M_control_3":"0","M_control_4":"0","M_isoprenaline_1":"0","M_isoprenaline_2":"0","M_isoprenaline_3":"0","M_isoprenaline_4":"0"},{"Metabolite":"UDP","M_control_2":"0","M_control_3":"0","M_control_4":"0","M_isoprenaline_1":"0","M_isoprenaline_2":"0","M_isoprenaline_3":"0","M_isoprenaline_4":"0"},{"Metabolite":"Nigakihemiacetal A","M_control_2":"0","M_control_3":"0","M_control_4":"0","M_isoprenaline_1":"0","M_isoprenaline_2":"0","M_isoprenaline_3":"0","M_isoprenaline_4":"0"},{"Metabolite":"dADP","M_control_2":"0","M_control_3":"0","M_control_4":"0","M_isoprenaline_1":"0","M_isoprenaline_2":"0","M_isoprenaline_3":"0","M_isoprenaline_4":"0"},{"Metabolite":"Magnoshinin","M_control_2":"1026973.25","M_control_3":"927053.5","M_control_4":"1073226.75","M_isoprenaline_1":"1279738.75","M_isoprenaline_2":"789489.3125","M_isoprenaline_3":"714139.125","M_isoprenaline_4":"828472.9375"},{"Metabolite":"ADP","M_control_2":"0","M_control_3":"0","M_control_4":"0","M_isoprenaline_1":"0","M_isoprenaline_2":"0","M_isoprenaline_3":"0","M_isoprenaline_4":"0"},{"Metabolite":"N-(1,3-dihydroxypropan-2-yl)-9S,11R,15S-trihydroxy-5Z,13E-prostadienoyl amine","M_control_2":"14136.6377","M_control_3":"0","M_control_4":"50057.41016","M_isoprenaline_1":"14804.90527","M_isoprenaline_2":"50118.13281","M_isoprenaline_3":"0","M_isoprenaline_4":"0"},{"Metabolite":"CMP-2-aminoethylphosphonate","M_control_2":"0","M_control_3":"0","M_control_4":"0","M_isoprenaline_1":"0","M_isoprenaline_2":"0","M_isoprenaline_3":"0","M_isoprenaline_4":"0"},{"Metabolite":"[PE(16:1)] 1-(1Z-hexadecenyl)-sn-glycero-3-phosphoethanolamine","M_control_2":"0","M_control_3":"0","M_control_4":"0","M_isoprenaline_1":"0","M_isoprenaline_2":"0","M_isoprenaline_3":"0","M_isoprenaline_4":"0"},{"Metabolite":"[PR trihydroxy(2:0)] (-)-8alpha,15-diacetoxy-4beta,9alpha,14beta-trihydroxy-3(16)-fusicoccene","M_control_2":"0","M_control_3":"0","M_control_4":"0","M_isoprenaline_1":"0","M_isoprenaline_2":"0","M_isoprenaline_3":"0","M_isoprenaline_4":"0"},{"Metabolite":"CDP-ethanolamine","M_control_2":"0","M_control_3":"0","M_control_4":"0","M_isoprenaline_1":"0","M_isoprenaline_2":"0","M_isoprenaline_3":"0","M_isoprenaline_4":"0"},{"Metabolite":"Glycochenodeoxycholate","M_control_2":"80241.39063","M_control_3":"76577.94531","M_control_4":"72149.83594","M_isoprenaline_1":"69076.08594","M_isoprenaline_2":"112977.6484","M_isoprenaline_3":"70686.00781","M_isoprenaline_4":"85948.97656"},{"Metabolite":"LysoPE(16:1)","M_control_2":"0","M_control_3":"0","M_control_4":"0","M_isoprenaline_1":"0","M_isoprenaline_2":"0","M_isoprenaline_3":"0","M_isoprenaline_4":"0"},{"Metabolite":"9S,15S-dihydroxy-11R,18-diacetoxy-5Z,13E-prostadienoic acid","M_control_2":"0","M_control_3":"0","M_control_4":"0","M_isoprenaline_1":"0","M_isoprenaline_2":"0","M_isoprenaline_3":"0","M_isoprenaline_4":"0"},{"Metabolite":"Asp-Cys-Cys-Gln","M_control_2":"0","M_control_3":"0","M_control_4":"0","M_isoprenaline_1":"0","M_isoprenaline_2":"0","M_isoprenaline_3":"0","M_isoprenaline_4":"0"},{"Metabolite":"Arg-Asp-Cys-Ser","M_control_2":"117026.9609","M_control_3":"115881.3672","M_control_4":"136939.9375","M_isoprenaline_1":"113241.2188","M_isoprenaline_2":"191451.1875","M_isoprenaline_3":"93485.61719","M_isoprenaline_4":"127737.0391"},{"Metabolite":"LysoPE(18:1)","M_control_2":"0","M_control_3":"0","M_control_4":"0","M_isoprenaline_1":"0","M_isoprenaline_2":"0","M_isoprenaline_3":"0","M_isoprenaline_4":"0"},{"Metabolite":"dTTP","M_control_2":"0","M_control_3":"0","M_control_4":"0","M_isoprenaline_1":"0","M_isoprenaline_2":"0","M_isoprenaline_3":"0","M_isoprenaline_4":"0"},{"Metabolite":"UTP","M_control_2":"0","M_control_3":"0","M_control_4":"0","M_isoprenaline_1":"0","M_isoprenaline_2":"0","M_isoprenaline_3":"0","M_isoprenaline_4":"0"},{"Metabolite":"dATP","M_control_2":"0","M_control_3":"0","M_control_4":"0","M_isoprenaline_1":"0","M_isoprenaline_2":"0","M_isoprenaline_3":"0","M_isoprenaline_4":"0"},{"Metabolite":"PA(22:1(11Z)/0:0)","M_control_2":"0","M_control_3":"0","M_control_4":"0","M_isoprenaline_1":"0","M_isoprenaline_2":"83410.53125","M_isoprenaline_3":"0","M_isoprenaline_4":"0"},{"Metabolite":"Asp-Thr-Cys-Tyr","M_control_2":"370992.4375","M_control_3":"344138.1875","M_control_4":"535372.0625","M_isoprenaline_1":"383117","M_isoprenaline_2":"427187.6563","M_isoprenaline_3":"305645.9688","M_isoprenaline_4":"331526.3125"},{"Metabolite":"LysoPE(20:4)","M_control_2":"0","M_control_3":"0","M_control_4":"0","M_isoprenaline_1":"0","M_isoprenaline_2":"0","M_isoprenaline_3":"0","M_isoprenaline_4":"0"},{"Metabolite":"ATP","M_control_2":"0","M_control_3":"0","M_control_4":"0","M_isoprenaline_1":"0","M_isoprenaline_2":"0","M_isoprenaline_3":"0","M_isoprenaline_4":"0"},{"Metabolite":"Arg-Lys-Thr-Asp","M_control_2":"169852.5781","M_control_3":"151916.8281","M_control_4":"159186.9688","M_isoprenaline_1":"120644.8438","M_isoprenaline_2":"169651.7344","M_isoprenaline_3":"176115.7813","M_isoprenaline_4":"158673.4219"},{"Metabolite":"Gln-Leu-Lys-Tyr","M_control_2":"20848.77344","M_control_3":"25337.87109","M_control_4":"23033.13086","M_isoprenaline_1":"26002.0918","M_isoprenaline_2":"987809.625","M_isoprenaline_3":"25002.00195","M_isoprenaline_4":"26017.7168"},{"Metabolite":"Glu-Lys-Lys-Phe","M_control_2":"256270.2813","M_control_3":"254004.2969","M_control_4":"232019.125","M_isoprenaline_1":"230267.7969","M_isoprenaline_2":"960799.9375","M_isoprenaline_3":"220807.1719","M_isoprenaline_4":"226606.7656"},{"Metabolite":"UDP-glucose","M_control_2":"0","M_control_3":"0","M_control_4":"0","M_isoprenaline_1":"0","M_isoprenaline_2":"0","M_isoprenaline_3":"0","M_isoprenaline_4":"0"},{"Metabolite":"Arg-Thr-Gln-Tyr","M_control_2":"0","M_control_3":"0","M_control_4":"0","M_isoprenaline_1":"0","M_isoprenaline_2":"0","M_isoprenaline_3":"0","M_isoprenaline_4":"0"},{"Metabolite":"GDP-4-dehydro-3,6-dideoxymannose","M_control_2":"0","M_control_3":"0","M_control_4":"0","M_isoprenaline_1":"0","M_isoprenaline_2":"4640.515137","M_isoprenaline_3":"0","M_isoprenaline_4":"0"},{"Metabolite":"GDP-3,6-dideoxy-D-galactose","M_control_2":"0","M_control_3":"0","M_control_4":"0","M_isoprenaline_1":"0","M_isoprenaline_2":"0","M_isoprenaline_3":"0","M_isoprenaline_4":"0"},{"Metabolite":"stigmast-5-en-3beta-ol 3-0-beta-D-glucopyranoside","M_control_2":"96948.33594","M_control_3":"155548.7188","M_control_4":"109284.9297","M_isoprenaline_1":"113043.3672","M_isoprenaline_2":"93612.53125","M_isoprenaline_3":"117294.0391","M_isoprenaline_4":"127863.4063"},{"Metabolite":"UDP-glucuronate","M_control_2":"0","M_control_3":"0","M_control_4":"0","M_isoprenaline_1":"0","M_isoprenaline_2":"0","M_isoprenaline_3":"0","M_isoprenaline_4":"0"},{"Metabolite":"His-Met-Phe-Phe","M_control_2":"0","M_control_3":"0","M_control_4":"0","M_isoprenaline_1":"22524.33008","M_isoprenaline_2":"73544.63281","M_isoprenaline_3":"0","M_isoprenaline_4":"0"},{"Metabolite":"GDP-L-fucose","M_control_2":"0","M_control_3":"0","M_control_4":"0","M_isoprenaline_1":"0","M_isoprenaline_2":"0","M_isoprenaline_3":"0","M_isoprenaline_4":"0"},{"Metabolite":"2-sinapoyloxy-3-butenylglucosinolate","M_control_2":"0","M_control_3":"0","M_control_4":"0","M_isoprenaline_1":"0","M_isoprenaline_2":"0","M_isoprenaline_3":"0","M_isoprenaline_4":"0"},{"Metabolite":"UDP-N-acetyl-D-galactosamine","M_control_2":"0","M_control_3":"0","M_control_4":"0","M_isoprenaline_1":"0","M_isoprenaline_2":"0","M_isoprenaline_3":"0","M_isoprenaline_4":"0"},{"Metabolite":"CMP-N-acetylneuraminate","M_control_2":"0","M_control_3":"0","M_control_4":"0","M_isoprenaline_1":"0","M_isoprenaline_2":"0","M_isoprenaline_3":"0","M_isoprenaline_4":"0"},{"Metabolite":"NADH","M_control_2":"0","M_control_3":"0","M_control_4":"0","M_isoprenaline_1":"0","M_isoprenaline_2":"0","M_isoprenaline_3":"0","M_isoprenaline_4":"0"},{"Metabolite":"PG(32:1)","M_control_2":"0","M_control_3":"0","M_control_4":"0","M_isoprenaline_1":"0","M_isoprenaline_2":"123625.4922","M_isoprenaline_3":"0","M_isoprenaline_4":"0"},{"Metabolite":"NADP+","M_control_2":"0","M_control_3":"0","M_control_4":"0","M_isoprenaline_1":"0","M_isoprenaline_2":"0","M_isoprenaline_3":"0","M_isoprenaline_4":"0"},{"Metabolite":"NADPH","M_control_2":"0","M_control_3":"0","M_control_4":"0","M_isoprenaline_1":"0","M_isoprenaline_2":"0","M_isoprenaline_3":"0","M_isoprenaline_4":"0"},{"Metabolite":"PS(34:1)","M_control_2":"0","M_control_3":"0","M_control_4":"0","M_isoprenaline_1":"0","M_isoprenaline_2":"0","M_isoprenaline_3":"0","M_isoprenaline_4":"0"},{"Metabolite":"PS(36:1)","M_control_2":"0","M_control_3":"0","M_control_4":"0","M_isoprenaline_1":"0","M_isoprenaline_2":"39040.08984","M_isoprenaline_3":"0","M_isoprenaline_4":"0"}],

"Metabolites":[{"Metabolite":"Pyruvate","retention time":"8.390488942","Mass":"88.01603346","KEGGid":"C00022","Lmid":"LMFA01060077","InchiKEY":"LCTONWCANYUPML-UHFFFAOYSA-N","HMDBID":"HMDB00243"},{"Metabolite":"3-Oxopropanoate","retention time":"9.753412543","Mass":"88.01604687","KEGGid":"C00222","Lmid":"0","InchiKEY":"OAKURXIZZOAYBC-UHFFFAOYSA-N","HMDBID":"HMDB11111"},{"Metabolite":"Oxalate","retention time":"18.31260235","Mass":"89.99538578","KEGGid":"C00209","Lmid":"LMFA01170031","InchiKEY":"MUBZPKHOEPUJKR-UHFFFAOYSA-N","HMDBID":"HMDB02329"},{"Metabolite":"(S)-Lactate","retention time":"9.749640988","Mass":"90.03172309","KEGGid":"C00186","Lmid":"0","InchiKEY":"JVTAAEKCZFNVCJ-REOHCLBHSA-N","HMDBID":"HMDB00190"},{"Metabolite":"Orthophosphate","retention time":"14.15295261","Mass":"97.97704563","KEGGid":"C00009","Lmid":"0","InchiKEY":"NBIIXXVUZAFLBC-UHFFFAOYSA-N","HMDBID":"HMDB02142"},{"Metabolite":"2-oxobut-3-enanoate","retention time":"7.375166575","Mass":"100.0160652","KEGGid":"0","Lmid":"0","InchiKEY":"DGUBLKUCHAAUFT-UHFFFAOYSA-M","HMDBID":"0"},{"Metabolite":"Acetoacetate","retention time":"13.45212676","Mass":"102.0316717","KEGGid":"C00164","Lmid":"LMFA01060003","InchiKEY":"WDJHALXBUFZDSR-UHFFFAOYSA-N","HMDBID":"HMDB00060"},{"Metabolite":"2-Oxobutanoate","retention time":"14.6384167","Mass":"102.0316719","KEGGid":"C00109","Lmid":"LMFA01060002","InchiKEY":"TYEYBOSBBBHJIV-UHFFFAOYSA-N","HMDBID":"HMDB00005"},{"Metabolite":"3-Methylbutanoic acid","retention time":"7.234593631","Mass":"102.0680682","KEGGid":"C08262","Lmid":"LMFA01020181","InchiKEY":"GWYFCOCPABKNJV-UHFFFAOYSA-N","HMDBID":"HMDB00718"},{"Metabolite":"Hydroxypyruvate","retention time":"15.97437572","Mass":"104.010983","KEGGid":"C00168","Lmid":"0","InchiKEY":"HHDDCCUIIUWNGJ-UHFFFAOYSA-N","HMDBID":"HMDB01352"},{"Metabolite":"(R)-3-Hydroxybutanoate","retention time":"8.093431952","Mass":"104.0473237","KEGGid":"C01089","Lmid":"LMFA01050243","InchiKEY":"WHBMMWSBFZVSSR-GSVOUGTGSA-N","HMDBID":"HMDB00011"},{"Metabolite":"2-hydroxymethanesulfonate","retention time":"8.888106486","Mass":"111.9828979","KEGGid":"0","Lmid":"0","InchiKEY":"DETXZQGDWUJKMO-UHFFFAOYSA-N","HMDBID":"0"},{"Metabolite":"Monomethyl sulfate","retention time":"14.10591253","Mass":"111.9829508","KEGGid":"C02704","Lmid":"0","InchiKEY":"JZMJDSHXVKJFKW-UHFFFAOYSA-N","HMDBID":"0"},{"Metabolite":"Uracil","retention time":"7.998365233","Mass":"112.0272088","KEGGid":"C00106","Lmid":"0","InchiKEY":"ISAKRJDGNUQOIC-UHFFFAOYSA-N","HMDBID":"HMDB00300"},{"Metabolite":"Orotate(Fragment)","retention time":"9.637961155","Mass":"112.0272954","KEGGid":"C00295","Lmid":"0","InchiKEY":"PXQPEWDEAKTCGB-UHFFFAOYSA-N","HMDBID":"HMDB00226"},{"Metabolite":"(S)-1-Pyrroline-5-carboxylate","retention time":"15.44322501","Mass":"113.0477354","KEGGid":"C03912","Lmid":"0","InchiKEY":"DWAKNKKXGALPNW-BYPYZUCNSA-N","HMDBID":"HMDB01301"},{"Metabolite":"H2S2O3","retention time":"21.76643567","Mass":"113.9446282","KEGGid":"C05529","Lmid":"0","InchiKEY":"DHCDFWKWKRSZHF-UHFFFAOYSA-N","HMDBID":"0"},{"Metabolite":"2-Hydroxy-2,4-pentadienoate","retention time":"13.35481286","Mass":"114.0317296","KEGGid":"C00596","Lmid":"0","InchiKEY":"VHTQQDXPNUTMNB-ONEGZZNKSA-N","HMDBID":"0"},{"Metabolite":"5-Oxopentanoate","retention time":"8.019637162","Mass":"116.0472992","KEGGid":"C03273","Lmid":"LMFA01060161","InchiKEY":"VBKPPDYGFUZOAJ-UHFFFAOYSA-N","HMDBID":"HMDB12233"},{"Metabolite":"3-Methyl-2-oxobutanoic acid","retention time":"7.212044858","Mass":"116.0473096","KEGGid":"C00141","Lmid":"LMFA01020274","InchiKEY":"QHKABHOOEWYVLI-UHFFFAOYSA-N","HMDBID":"HMDB00019"},{"Metabolite":"4-Hydroxyhexan-3-one","retention time":"7.11382818","Mass":"116.0837334","KEGGid":"C02948","Lmid":"LMFA12000029","InchiKEY":"SKCYVGUCBRYGTE-UHFFFAOYSA-N","HMDBID":"0"},{"Metabolite":"Hexanoic acid","retention time":"4.55762693","Mass":"116.0837356","KEGGid":"C01585","Lmid":"LMFA01010006","InchiKEY":"FUZZWVXGSFPDMH-UHFFFAOYSA-N","HMDBID":"HMDB00535"},{"Metabolite":"L-Aspartate 4-semialdehyde","retention time":"10.82254161","Mass":"117.0425758","KEGGid":"C00441","Lmid":"0","InchiKEY":"HOSWPDPVFBCLSY-VKHMYHEASA-N","HMDBID":"HMDB12249"},{"Metabolite":"Acetylglycine","retention time":"9.76271342","Mass":"117.0426035","KEGGid":"0","Lmid":"0","InchiKEY":"OKJIRPAQVSHGFK-UHFFFAOYSA-N","HMDBID":"HMDB00532"},{"Metabolite":"Succinate","retention time":"15.29570516","Mass":"118.0266678","KEGGid":"C00042","Lmid":"LMFA01170043","InchiKEY":"KDYFGRWQOYBRFD-UHFFFAOYSA-N","HMDBID":"HMDB00254"},{"Metabolite":"5-Hydroxypentanoate","retention time":"7.252402516","Mass":"118.063009","KEGGid":"C02804","Lmid":"LMFA01050010","InchiKEY":"PHOJOSOUIAQEDH-UHFFFAOYSA-N","HMDBID":"0"},{"Metabolite":"D-Erythrose","retention time":"14.47613095","Mass":"120.0422233","KEGGid":"C01796","Lmid":"0","InchiKEY":"FMAORJIQYMIRHF-HERZVMAMSA-N","HMDBID":"HMDB02649"},{"Metabolite":"L-Cysteine","retention time":"16.2740515","Mass":"121.0196985","KEGGid":"C00097","Lmid":"0","InchiKEY":"XUJNEKJLAYXESH-REOHCLBHSA-N","HMDBID":"HMDB00574"},{"Metabolite":"Benzoate","retention time":"7.248876875","Mass":"122.0367763","KEGGid":"C00180","Lmid":"0","InchiKEY":"WPYMKLBDIGXBTP-UHFFFAOYSA-N","HMDBID":"HMDB01870"},{"Metabolite":"Phosphonoacetaldehyde","retention time":"14.48801676","Mass":"123.9924957","KEGGid":"C03167","Lmid":"0","InchiKEY":"YEMKIGUKNDOZEG-UHFFFAOYSA-N","HMDBID":"0"},{"Metabolite":"Taurine","retention time":"15.23853633","Mass":"125.0146371","KEGGid":"C00245","Lmid":"0","InchiKEY":"XOAAWQZATWQOTB-UHFFFAOYSA-N","HMDBID":"HMDB00251"},{"Metabolite":"Thymine","retention time":"7.378987503","Mass":"126.0429416","KEGGid":"C00178","Lmid":"0","InchiKEY":"RWQNBRDOKXIBIV-UHFFFAOYSA-N","HMDBID":"HMDB00262"},{"Metabolite":"5-Oxoproline","retention time":"10.22510752","Mass":"129.0426154","KEGGid":"C01879","Lmid":"0","InchiKEY":"ODHCTXKNWHHXJC-VKHMYHEASA-N","HMDBID":"HMDB00267"},{"Metabolite":"2,5-Dioxopentanoate","retention time":"12.22124502","Mass":"130.0266864","KEGGid":"C00433","Lmid":"0","InchiKEY":"VHKNBDIQDAXGBL-UHFFFAOYSA-N","HMDBID":"0"},{"Metabolite":"(S)-3-Methyl-2-oxopentanoic acid","retention time":"7.265411533","Mass":"130.0630114","KEGGid":"C00671","Lmid":"LMFA01020275","InchiKEY":"JVQYSWDUAOAHFM-BYPYZUCNSA-N","HMDBID":"HMDB00491"},{"Metabolite":"4-Methyl-2-oxopentanoate","retention time":"4.586428246","Mass":"130.063022","KEGGid":"C00233","Lmid":"0","InchiKEY":"BKAJNAXTPSGJCU-UHFFFAOYSA-N","HMDBID":"HMDB00695"},{"Metabolite":"FA methyl(6:0)","retention time":"4.328764069","Mass":"130.0994037","KEGGid":"0","Lmid":"LMFA01020080","InchiKEY":"CVKMFSAVYPAZTQ-UHFFFAOYSA-N","HMDBID":"0"},{"Metabolite":"L-Glutamate 5-semialdehyde","retention time":"14.58126255","Mass":"131.0581784","KEGGid":"C01165","Lmid":"0","InchiKEY":"KABXUUFDPUOJMW-BYPYZUCNSA-N","HMDBID":"HMDB02104"},{"Metabolite":"Creatine","retention time":"14.27068609","Mass":"131.0693041","KEGGid":"C00300","Lmid":"0","InchiKEY":"CVSVTCORWBXHQV-UHFFFAOYSA-N","HMDBID":"HMDB00064"},{"Metabolite":"Glutarate","retention time":"13.45459736","Mass":"132.0422572","KEGGid":"C00489","Lmid":"LMFA01170046","InchiKEY":"JFCQEDHGNNZCLN-UHFFFAOYSA-N","HMDBID":"HMDB00661"},{"Metabolite":"2-Acetolactate","retention time":"14.77308584","Mass":"132.0423005","KEGGid":"C00900","Lmid":"0","InchiKEY":"NMDWGEGFJUBKLB-UHFFFAOYSA-N","HMDBID":"HMDB06833"},{"Metabolite":"(S)-2-Acetolactate","retention time":"7.411271377","Mass":"132.0423828","KEGGid":"C06010","Lmid":"0","InchiKEY":"NMDWGEGFJUBKLB-YFKPBYRVSA-N","HMDBID":"HMDB06855"},{"Metabolite":"FA hydroxy(6:0)","retention time":"7.139879471","Mass":"132.0785782","KEGGid":"0","Lmid":"LMFA01050011","InchiKEY":"NYHNVHGFPZAZGA-UHFFFAOYSA-N","HMDBID":"HMDB01624"},{"Metabolite":"Ethyl (R)-3-hydroxybutanoate","retention time":"4.609618045","Mass":"132.0786129","KEGGid":"C03499","Lmid":"0","InchiKEY":"OMSUIQOIVADKIM-RXMQYKEDSA-N","HMDBID":"0"},{"Metabolite":"L-Aspartate","retention time":"14.95557947","Mass":"133.0375262","KEGGid":"C00049","Lmid":"0","InchiKEY":"CKLJMWTZIZZHCS-REOHCLBHSA-N","HMDBID":"HMDB00191"},{"Metabolite":"Iminodiacetate","retention time":"16.96726911","Mass":"133.037581","KEGGid":"0","Lmid":"0","InchiKEY":"NBZBKCUXIYYUSX-UHFFFAOYSA-N","HMDBID":"HMDB11753"},{"Metabolite":"4-methylthiobutanaldoxime","retention time":"10.24463649","Mass":"133.0560419","KEGGid":"C17241","Lmid":"0","InchiKEY":"DNYWTMVKWUGHCB-GQCTYLIASA-N","HMDBID":"0"},{"Metabolite":"(S)-Malate","retention time":"16.28078347","Mass":"134.0215902","KEGGid":"C00149","Lmid":"0","InchiKEY":"BJEPYKJPYRNKOW-REOHCLBHSA-N","HMDBID":"HMDB00156"},{"Metabolite":"Dihydropteridine","retention time":"10.27595307","Mass":"134.059065","KEGGid":"C05649","Lmid":"0","InchiKEY":"KVDQMARGGBLIJM-UHFFFAOYSA-N","HMDBID":"HMDB01441"},{"Metabolite":"[FA trihydroxy(4:0)] 2,3,4-trihydroxy-butanoic acid","retention time":"12.72522567","Mass":"136.0372064","KEGGid":"C01620","Lmid":"LMFA01050097","InchiKEY":"JPIJQSOTBSSVTP-UHFFFAOYSA-N","HMDBID":"HMDB00943"},{"Metabolite":"Sulfoacetate","retention time":"18.60464071","Mass":"139.9779944","KEGGid":"C14179","Lmid":"0","InchiKEY":"AGGIJOLULBJGTQ-UHFFFAOYSA-N","HMDBID":"0"},{"Metabolite":"Ethanolamine phosphate","retention time":"15.5234547","Mass":"141.0191652","KEGGid":"C00346","Lmid":"0","InchiKEY":"SUHOOTKUPISOBE-UHFFFAOYSA-N","HMDBID":"HMDB00224"},{"Metabolite":"FA (8:1)","retention time":"4.267660268","Mass":"142.0993701","KEGGid":"0","Lmid":"LMFA01030018","InchiKEY":"CWMPPVPFLSZGCY-SREVYHEPSA-N","HMDBID":"HMDB00392"},{"Metabolite":"FA oxo(7:0)","retention time":"7.247674326","Mass":"144.078618","KEGGid":"0","Lmid":"LMFA01060011","InchiKEY":"IDDYNNYMUPHFMO-UHFFFAOYSA-N","HMDBID":"0"},{"Metabolite":"7-oxoheptanoate","retention time":"4.619253931","Mass":"144.0786498","KEGGid":"C16590","Lmid":"0","InchiKEY":"OOFMTFUTWFAVGC-UHFFFAOYSA-N","HMDBID":"0"},{"Metabolite":"FA (8:0) octanoic acid","retention time":"4.084111551","Mass":"144.1150008","KEGGid":"C06423","Lmid":"LMFA01010008","InchiKEY":"WWZKQHOCKIZLMA-UHFFFAOYSA-N","HMDBID":"HMDB00482"},{"Metabolite":"2-Oxoglutaramate","retention time":"8.676133219","Mass":"145.037489","KEGGid":"C00940","Lmid":"0","InchiKEY":"COJBGNAUUSNXHX-UHFFFAOYSA-N","HMDBID":"HMDB01552"},{"Metabolite":"2-Oxoglutarate","retention time":"15.93410652","Mass":"146.0215561","KEGGid":"C00026","Lmid":"0","InchiKEY":"KPGXRSRHYNQIFN-UHFFFAOYSA-N","HMDBID":"HMDB00208"},{"Metabolite":"FA hydroxy(7:0)","retention time":"4.452989745","Mass":"146.0942657","KEGGid":"0","Lmid":"LMFA01050016","InchiKEY":"RGMMREBHCYXQMA-UHFFFAOYSA-N","HMDBID":"0"},{"Metabolite":"3-Hydroxyisoheptanoicacid","retention time":"7.377441661","Mass":"146.0942889","KEGGid":"0","Lmid":"LMFA01050395","InchiKEY":"SCAWECGFPWPHAR-UHFFFAOYSA-N","HMDBID":"HMDB02207"},{"Metabolite":"O-Acetyl-L-serine","retention time":"10.71397213","Mass":"147.0531275","KEGGid":"C00979","Lmid":"0","InchiKEY":"VZXPDPZARILFQX-BYPYZUCNSA-N","HMDBID":"HMDB03011"},{"Metabolite":"L-Glutamate","retention time":"14.61617056","Mass":"147.0531526","KEGGid":"C00025","Lmid":"0","InchiKEY":"WHUUTDBJXJRKMK-VKHMYHEASA-N","HMDBID":"HMDB00148"},{"Metabolite":"N-hydroxyisoleucine","retention time":"8.468976644","Mass":"147.0894942","KEGGid":"0","Lmid":"0","InchiKEY":"YEGAKLYOVHUQIJ-UHFFFAOYSA-M","HMDBID":"0"},{"Metabolite":"D-Xylonolactone","retention time":"15.37737568","Mass":"148.0372369","KEGGid":"C02266","Lmid":"0","InchiKEY":"XXBSUZSONOQQGK-FLRLBIABSA-N","HMDBID":"HMDB11676"},{"Metabolite":"(R)-2,3-Dihydroxy-3-methylpentanoate","retention time":"7.37702175","Mass":"148.0736947","KEGGid":"C06007","Lmid":"0","InchiKEY":"PDGXJDXVGMHUIR-UJURSFKZSA-N","HMDBID":"HMDB12140"},{"Metabolite":"(S,S)-Tartaric acid","retention time":"18.07639739","Mass":"150.0164747","KEGGid":"C02107","Lmid":"0","InchiKEY":"FEWJPZIEWOKRBE-LWMBPPNESA-N","HMDBID":"0"},{"Metabolite":"D-Ribose","retention time":"12.13273748","Mass":"150.0528393","KEGGid":"C00121","Lmid":"0","InchiKEY":"HMFHBZSHGGEWLO-SOOFDHNKSA-N","HMDBID":"HMDB00283"},{"Metabolite":"L-Arabinose","retention time":"14.57143594","Mass":"150.0529678","KEGGid":"C00259","Lmid":"0","InchiKEY":"SRBFZHDQGSBBOR-HWQSCIPKSA-N","HMDBID":"HMDB00646"},{"Metabolite":"Dipropyl disulfide","retention time":"8.216778564","Mass":"150.053966","KEGGid":"C08373","Lmid":"0","InchiKEY":"ALVPFGSHPUPROW-UHFFFAOYSA-N","HMDBID":"0"},{"Metabolite":"Phenylpropanoate","retention time":"4.562405161","Mass":"150.0680524","KEGGid":"C05629","Lmid":"0","InchiKEY":"XMIIGOLPHOKFCH-UHFFFAOYSA-N","HMDBID":"HMDB00764"},{"Metabolite":"Xanthine","retention time":"11.3785347","Mass":"152.0333782","KEGGid":"C00385","Lmid":"0","InchiKEY":"LRFVTYWOQMYALW-UHFFFAOYSA-N","HMDBID":"HMDB00292"},{"Metabolite":"3,4-Dihydroxyphenylacetaldehyde","retention time":"7.406810099","Mass":"152.0472906","KEGGid":"C04043","Lmid":"0","InchiKEY":"IADQVXRMSNIUEL-UHFFFAOYSA-N","HMDBID":"HMDB03791"},{"Metabolite":"Xylitol","retention time":"12.73397361","Mass":"152.068461","KEGGid":"C00379","Lmid":"0","InchiKEY":"HEBKCHPVOIAQTA-SCDXWVJYSA-N","HMDBID":"HMDB02917"},{"Metabolite":"3-Isopropylcatechol","retention time":"4.031033325","Mass":"152.0836058","KEGGid":"C01014","Lmid":"0","InchiKEY":"XLZHGKDRKSKCAU-UHFFFAOYSA-N","HMDBID":"0"},{"Metabolite":"3-sulfopropanoate","retention time":"16.92629488","Mass":"153.9936837","KEGGid":"0","Lmid":"0","InchiKEY":"0","HMDBID":"0"},{"Metabolite":"Imidazol-5-yl-pyruvate","retention time":"11.73879801","Mass":"154.0378237","KEGGid":"C03277","Lmid":"0","InchiKEY":"JEJNWEREQWMOHB-UHFFFAOYSA-N","HMDBID":"0"},{"Metabolite":"3-(Pyrazol-1-yl)-L-alanine","retention time":"12.16815149","Mass":"155.069535","KEGGid":"C01162","Lmid":"0","InchiKEY":"PIGOPELHGLPKLL-YFKPBYRVSA-N","HMDBID":"0"},{"Metabolite":"L-Histidine","retention time":"17.08692322","Mass":"155.0695612","KEGGid":"C00135","Lmid":"0","InchiKEY":"HNDVDQJCIGZPNO-YFKPBYRVSA-N","HMDBID":"HMDB00177"},{"Metabolite":"4-Imidazolone-5-propanoate","retention time":"8.360762533","Mass":"156.0534698","KEGGid":"C03680","Lmid":"0","InchiKEY":"HEXMLHKQVUFYME-UHFFFAOYSA-N","HMDBID":"HMDB01014"},{"Metabolite":"[FA oxo(8:1)] 5-oxo-7-octenoic acid","retention time":"4.398270534","Mass":"156.0786353","KEGGid":"0","Lmid":"LMFA01060165","InchiKEY":"HWLHBDCASWFKNP-UHFFFAOYSA-N","HMDBID":"0"},{"Metabolite":"(S)(+)-Allantoin","retention time":"14.11899719","Mass":"158.04388","KEGGid":"C02350","Lmid":"0","InchiKEY":"POJWUDADGALRAB-SFOWXEAESA-N","HMDBID":"0"},{"Metabolite":"2-Isopropylmaleate","retention time":"7.27317947","Mass":"158.0579866","KEGGid":"C02631","Lmid":"0","InchiKEY":"NJMGRJLQRLFQQX-HYXAFXHYSA-N","HMDBID":"HMDB12241"},{"Metabolite":"Ethyl 3-oxohexanoate","retention time":"7.185007653","Mass":"158.0942444","KEGGid":"C02975","Lmid":"0","InchiKEY":"KQWWVLVLVYYYDT-UHFFFAOYSA-N","HMDBID":"0"},{"Metabolite":"FA oxo(8:0) oxo-octanoic acid","retention time":"4.590156438","Mass":"158.0942611","KEGGid":"0","Lmid":"LMFA01060016","InchiKEY":"GPPUPQFYDYLTIY-UHFFFAOYSA-N","HMDBID":"HMDB13211"},{"Metabolite":"FA methyl(8:0)","retention time":"3.916244879","Mass":"158.1306088","KEGGid":"0","Lmid":"LMFA01020002","InchiKEY":"GPOPHQSTNHUENT-UHFFFAOYSA-N","HMDBID":"0"},{"Metabolite":"5-Acetamidopentanoate","retention time":"7.251263852","Mass":"159.0894776","KEGGid":"C03087","Lmid":"0","InchiKEY":"TZZSWAXSIGWXOS-UHFFFAOYSA-N","HMDBID":"HMDB12175"},{"Metabolite":"Dihydro-3-hydroxy-3-(1-hydroxyethyl)-4-methylfuran-2(3H)-one","retention time":"4.599894949","Mass":"160.073718","KEGGid":"0","Lmid":"LMFA07040007","InchiKEY":"AAMXRZJYSRMQQF-UHFFFAOYSA-N","HMDBID":"0"},{"Metabolite":"3-Methyladipicacid","retention time":"7.268435865","Mass":"160.0737322","KEGGid":"0","Lmid":"LMFA01170095","InchiKEY":"SYEOWUNSTUDKGM-YFKPBYRVSA-L","HMDBID":"HMDB00555"},{"Metabolite":"FA hydroxy(8:0) hydroxy-octanoic acid","retention time":"7.242947427","Mass":"160.1098797","KEGGid":"0","Lmid":"LMFA01050020","InchiKEY":"JKRDADVRIYVCCY-UHFFFAOYSA-N","HMDBID":"HMDB00711"},{"Metabolite":"Ethyl (R)-3-hydroxyhexanoate","retention time":"4.614402654","Mass":"160.1099146","KEGGid":"C03864","Lmid":"0","InchiKEY":"LYRIITRHDCNUHV-SSDOTTSWSA-N","HMDBID":"0"},{"Metabolite":"O-Acetyl-L-homoserine","retention time":"9.454719191","Mass":"161.0687995","KEGGid":"C01077","Lmid":"0","InchiKEY":"FCXZBWSIAGGPCB-YFKPBYRVSA-N","HMDBID":"0"},{"Metabolite":"L-Methionine S-oxide","retention time":"13.22425969","Mass":"165.0459843","KEGGid":"C02989","Lmid":"0","InchiKEY":"QEFRNWWLZKMPFJ-YGVKFDHGSA-N","HMDBID":"HMDB02005"},{"Metabolite":"Phthalate","retention time":"14.41793471","Mass":"166.0265394","KEGGid":"C01606","Lmid":"0","InchiKEY":"XNGIFLGASWRNHJ-UHFFFAOYSA-N","HMDBID":"HMDB02107"},{"Metabolite":"Terephthalate","retention time":"12.61099869","Mass":"166.0265513","KEGGid":"C06337","Lmid":"0","InchiKEY":"KKEYFWRCBNTPAC-UHFFFAOYSA-N","HMDBID":"HMDB02428"},{"Metabolite":"4-Hydroxyphenylglyoxylate","retention time":"15.46375138","Mass":"166.0266065","KEGGid":"C03590","Lmid":"0","InchiKEY":"KXFJZKUFXHWWAJ-UHFFFAOYSA-N","HMDBID":"0"},{"Metabolite":"isophthalate","retention time":"16.6402717","Mass":"166.0266265","KEGGid":"0","Lmid":"0","InchiKEY":"QQVIHTHCMHWDBS-UHFFFAOYSA-N","HMDBID":"0"},{"Metabolite":"L-Lyxonate","retention time":"13.03638204","Mass":"166.0476014","KEGGid":"C05412","Lmid":"0","InchiKEY":"QXKAIJAYHKCRRA-UHFFFAOYSA-N","HMDBID":"0"},{"Metabolite":"D-Xylonate","retention time":"13.49225127","Mass":"166.047629","KEGGid":"C00502","Lmid":"0","InchiKEY":"QXKAIJAYHKCRRA-RUVKFHFMSA-M","HMDBID":"0"},{"Metabolite":"L-Xylonate","retention time":"14.0059654","Mass":"166.0476878","KEGGid":"C05411","Lmid":"0","InchiKEY":"QXKAIJAYHKCRRA-NUNKFHFFSA-M","HMDBID":"0"},{"Metabolite":"10-oxogeranial","retention time":"4.178586629","Mass":"166.0992626","KEGGid":"C17622","Lmid":"0","InchiKEY":"GRHWFPUCRVCMRY-TXFIJWAUSA-N","HMDBID":"0"},{"Metabolite":"Phosphoenolpyruvate","retention time":"17.8725","Mass":"167.982433","KEGGid":"C00074","Lmid":"0","InchiKEY":"DTBNBXWJWCWCIK-UHFFFAOYSA-N","HMDBID":"HMDB00263"},{"Metabolite":"Urate","retention time":"12.87834998","Mass":"168.0282375","KEGGid":"C00366","Lmid":"0","InchiKEY":"LEHOTFFKMJEONL-UHFFFAOYSA-N","HMDBID":"HMDB00289"},{"Metabolite":"Phosphodimethylethanolamine","retention time":"14.45566345","Mass":"169.0502952","KEGGid":"C13482","Lmid":"0","InchiKEY":"BLHVJAAEHMLMOI-UHFFFAOYSA-N","HMDBID":"0"},{"Metabolite":"(S)-2-O-Sulfolactate","retention time":"18.23173093","Mass":"169.9886016","KEGGid":"C02914","Lmid":"0","InchiKEY":"CSRZVBCXQYEYKY-REOHCLBHSA-N","HMDBID":"0"},{"Metabolite":"D-Glyceraldehyde 3-phosphate","retention time":"16.15882716","Mass":"169.9980037","KEGGid":"C00118","Lmid":"0","InchiKEY":"LXJXRIRHZLFYRP-VKHMYHEASA-N","HMDBID":"HMDB01112"},{"Metabolite":"Furfural diethyl acetal","retention time":"4.389184719","Mass":"170.0942856","KEGGid":"C14280","Lmid":"0","InchiKEY":"SEILDMUKBMYIEZ-UHFFFAOYSA-N","HMDBID":"0"},{"Metabolite":"2,3,4,5-Tetrahydrodipicolinate","retention time":"14.27040405","Mass":"171.0531991","KEGGid":"C03972","Lmid":"0","InchiKEY":"CXMBCXQHOXUCEO-BYPYZUCNSA-N","HMDBID":"HMDB12289"},{"Metabolite":"sn-Glycerol 3-phosphate","retention time":"14.80826408","Mass":"172.0136642","KEGGid":"C00093","Lmid":"0","InchiKEY":"AWUCVROLDVIAJX-GSVOUGTGSA-N","HMDBID":"HMDB00126"},{"Metabolite":"2-Octenedioicacid","retention time":"10.908205","Mass":"172.0735818","KEGGid":"0","Lmid":"LMFA01170085","InchiKEY":"BNTPVRGYUHJFHN-HWKANZROSA-N","HMDBID":"HMDB00341"},{"Metabolite":"cis-4-Octenedioicacid","retention time":"7.150203842","Mass":"172.0736905","KEGGid":"0","Lmid":"LMFA01170078","InchiKEY":"LQVYKEXVMZXOAH-UPHRSURJSA-N","HMDBID":"HMDB04982"},{"Metabolite":"FA oxo(9:0) oxo-nonanoic acid","retention time":"3.651302572","Mass":"172.1099123","KEGGid":"0","Lmid":"LMFA01060022","InchiKEY":"SHDOPXQMNJDYDK-UHFFFAOYSA-N","HMDBID":"0"},{"Metabolite":"9-Oxononanoic acid","retention time":"4.424002506","Mass":"172.1099313","KEGGid":"C16322","Lmid":"LMFA01060160","InchiKEY":"WLGDDELKYAWBBL-UHFFFAOYSA-N","HMDBID":"0"},{"Metabolite":"[FA oxo(9:0)] 2-oxo-nonanoic acid","retention time":"7.125670448","Mass":"172.1099378","KEGGid":"0","Lmid":"LMFA01060022","InchiKEY":"SHDOPXQMNJDYDK-UHFFFAOYSA-N","HMDBID":"0"},{"Metabolite":"Decanoic acid","retention time":"3.839439725","Mass":"172.1462811","KEGGid":"C01571","Lmid":"LMFA01010010","InchiKEY":"GHVNFZFCNZKVNT-UHFFFAOYSA-N","HMDBID":"HMDB00511"},{"Metabolite":"Isovalerylalanine","retention time":"7.34405768","Mass":"173.1051751","KEGGid":"0","Lmid":"0","InchiKEY":"OJPSNARFDYTAEN-LURJTMIESA-N","HMDBID":"HMDB00747"},{"Metabolite":"N-Acetyl-L-leucine","retention time":"7.86462058","Mass":"173.1051828","KEGGid":"C02710","Lmid":"0","InchiKEY":"WXNXCEHXYPACJF-ZETCQYMHSA-N","HMDBID":"HMDB11756"},{"Metabolite":"Hexanoylglycine","retention time":"4.618041092","Mass":"173.1052598","KEGGid":"0","Lmid":"0","InchiKEY":"UPCKIPHSXMXJOX-UHFFFAOYSA-N","HMDBID":"HMDB00701"},{"Metabolite":"Phenol sulfate","retention time":"4.974424998","Mass":"173.9986323","KEGGid":"C02180","Lmid":"0","InchiKEY":"CTYRPMDGLDAWRQ-UHFFFAOYSA-N","HMDBID":"0"},{"Metabolite":"p-Phenolsulfonic acid","retention time":"5.620736101","Mass":"173.9986581","KEGGid":"C12849","Lmid":"0","InchiKEY":"FEPBITJSIHRMRT-UHFFFAOYSA-N","HMDBID":"0"},{"Metabolite":"cis-Aconitate","retention time":"18.29860245","Mass":"174.0163822","KEGGid":"C00417","Lmid":"0","InchiKEY":"GTZCVFVGUGFEME-IWQZZHSRSA-N","HMDBID":"HMDB00072"},{"Metabolite":"(2S)-2-Isopropyl-3-oxosuccinate","retention time":"7.416023356","Mass":"174.0527871","KEGGid":"C04236","Lmid":"0","InchiKEY":"HIIZAGQWABAMRR-BYPYZUCNSA-N","HMDBID":"HMDB12149"},{"Metabolite":"Dimethyl adipate","retention time":"4.619277015","Mass":"174.0891655","KEGGid":"C14570","Lmid":"0","InchiKEY":"UDSFAEKRVUSQDD-UHFFFAOYSA-N","HMDBID":"0"},{"Metabolite":"Suberic acid","retention time":"7.163755133","Mass":"174.0892133","KEGGid":"C08278","Lmid":"LMFA01170001","InchiKEY":"TYFQFVWCELRYAO-UHFFFAOYSA-N","HMDBID":"HMDB00893"},{"Metabolite":"[FA hydroxy(9:0)] 3-hydroxy-nonanoic acid","retention time":"7.151598691","Mass":"174.1254657","KEGGid":"0","Lmid":"LMFA01050025","InchiKEY":"XBUXARJOYUQNTC-UHFFFAOYSA-N","HMDBID":"0"},{"Metabolite":"[FA hydroxy(9:0)] 2-hydroxy-nonanoic acid","retention time":"4.56931794","Mass":"174.1254945","KEGGid":"0","Lmid":"LMFA01050024","InchiKEY":"BTJFTHOOADNOOS-UHFFFAOYSA-N","HMDBID":"0"},{"Metabolite":"FA hydroxy(9:0) hydroxy-nonanoic acid","retention time":"4.095261559","Mass":"174.1255132","KEGGid":"0","Lmid":"LMFA01050024","InchiKEY":"BTJFTHOOADNOOS-UHFFFAOYSA-N","HMDBID":"0"},{"Metabolite":"N-Acetyl-L-aspartate","retention time":"14.73374168","Mass":"175.048008","KEGGid":"C01042","Lmid":"0","InchiKEY":"OTCCIMWXFLJLIA-BYPYZUCNSA-N","HMDBID":"HMDB00812"},{"Metabolite":"N-Acetylindoxyl","retention time":"4.570304653","Mass":"175.0631882","KEGGid":"C02298","Lmid":"0","InchiKEY":"NNJXIAOPPYUVAX-UHFFFAOYSA-N","HMDBID":"0"},{"Metabolite":"Ascorbate","retention time":"14.53753738","Mass":"176.0321464","KEGGid":"C00072","Lmid":"0","InchiKEY":"CIWBSHSKHKDKBQ-JLAZNSOCSA-N","HMDBID":"HMDB00044"},{"Metabolite":"N-Carbamoyl-L-aspartate","retention time":"17.0108667","Mass":"176.0433152","KEGGid":"C00438","Lmid":"0","InchiKEY":"HLKXYZVTANABHZ-REOHCLBHSA-N","HMDBID":"HMDB00828"},{"Metabolite":"4-oxo-4-(3-pyridyl)-butanoate","retention time":"8.293977217","Mass":"179.0581538","KEGGid":"0","Lmid":"0","InchiKEY":"JGSUNMCABQUBOY-UHFFFAOYSA-M","HMDBID":"0"},{"Metabolite":"Hippurate","retention time":"7.252531899","Mass":"179.0581763","KEGGid":"C01586","Lmid":"0","InchiKEY":"QIAFMBKCNZACKA-UHFFFAOYSA-N","HMDBID":"HMDB11723"},{"Metabolite":"2,5,6-Trihydroxy-5,6-dihydroquinoline","retention time":"17.02018068","Mass":"179.0584068","KEGGid":"C06339","Lmid":"0","InchiKEY":"HPQLNKXDNOVXAK-UHFFFAOYSA-N","HMDBID":"0"},{"Metabolite":"propiin","retention time":"14.76232992","Mass":"179.0613799","KEGGid":"0","Lmid":"0","InchiKEY":"JZKMSAGUCSIIAH-UHFFFAOYSA-N","HMDBID":"0"},{"Metabolite":"D-Mannose","retention time":"13.37581928","Mass":"180.063355","KEGGid":"C00159","Lmid":"0","InchiKEY":"WQZGKKKJIJFFOK-QTVWNMPRSA-N","HMDBID":"HMDB00169"},{"Metabolite":"D-Glucose","retention time":"17.0328078","Mass":"180.0634319","KEGGid":"C00221","Lmid":"0","InchiKEY":"WQZGKKKJIJFFOK-GASJEMHNSA-N","HMDBID":"HMDB00122"},{"Metabolite":"D-Galactose","retention time":"14.71246275","Mass":"180.063723","KEGGid":"C00124","Lmid":"0","InchiKEY":"WQZGKKKJIJFFOK-SVZMEOIVSA-N","HMDBID":"HMDB00143"},{"Metabolite":"3-(4-Hydroxyphenyl)lactate","retention time":"9.165722232","Mass":"182.0578471","KEGGid":"C03672","Lmid":"0","InchiKEY":"JVGVDSSUAVXRDY-UHFFFAOYSA-N","HMDBID":"HMDB00755"},{"Metabolite":"D-Sorbitol","retention time":"13.63104232","Mass":"182.0790312","KEGGid":"C00794","Lmid":"0","InchiKEY":"FBPFZTCFMRRESA-JGWLITMVSA-N","HMDBID":"HMDB00247"},{"Metabolite":"[PR] Iridotrial","retention time":"4.172499949","Mass":"182.0942189","KEGGid":"C06070","Lmid":"LMPR0102070004","InchiKEY":"JHNAOPCUAVPDKQ-UHFFFAOYSA-N","HMDBID":"0"},{"Metabolite":"Nalpha,Nalpha-Dimethyl-L-histidine","retention time":"8.144943339","Mass":"183.1008136","KEGGid":"C04259","Lmid":"0","InchiKEY":"IMOBSLOLPCWZKQ-ZETCQYMHSA-N","HMDBID":"0"},{"Metabolite":"3-Phospho-D-glycerate","retention time":"17.10896647","Mass":"185.9928425","KEGGid":"C00197","Lmid":"0","InchiKEY":"OSJPPGNTCRNQQC-UWTATZPHSA-N","HMDBID":"HMDB00807"},{"Metabolite":"7,8-diketopelargonate","retention time":"4.588025646","Mass":"186.0891885","KEGGid":"0","Lmid":"0","InchiKEY":"LUCODFUPVSYZRC-UHFFFAOYSA-N","HMDBID":"0"},{"Metabolite":"FA oxo(10:0)","retention time":"4.273280765","Mass":"186.1257548","KEGGid":"0","Lmid":"LMFA01060028","InchiKEY":"YXTHWTPUTHTODU-UHFFFAOYSA-N","HMDBID":"HMDB10724"},{"Metabolite":"[FA (11:0)] undecanoic acid","retention time":"3.782084636","Mass":"186.1619417","KEGGid":"0","Lmid":"LMFA01010011","InchiKEY":"ZDPHROOEEOARMN-UHFFFAOYSA-N","HMDBID":"HMDB00947"},{"Metabolite":"8-Amino-7-oxononanoate","retention time":"7.252401225","Mass":"187.1207899","KEGGid":"C01092","Lmid":"LMFA01060168","InchiKEY":"GUAHPAJOXVYFON-UHFFFAOYSA-N","HMDBID":"0"},{"Metabolite":"2-oxosuberate","retention time":"7.389163886","Mass":"188.0685575","KEGGid":"C16589","Lmid":"0","InchiKEY":"HAGOOZVJLSSXGZ-UHFFFAOYSA-N","HMDBID":"0"},{"Metabolite":"Azelaic acid","retention time":"10.93307315","Mass":"188.1048374","KEGGid":"C08261","Lmid":"LMFA01170054","InchiKEY":"BDJRBEYXGGNYIS-UHFFFAOYSA-N","HMDBID":"HMDB00784"},{"Metabolite":"FA hydroxy(10:0)","retention time":"4.460323138","Mass":"188.1411769","KEGGid":"0","Lmid":"LMFA01050029","InchiKEY":"GHPVDCPCKSNJDR-UHFFFAOYSA-N","HMDBID":"0"},{"Metabolite":"N-Acetyl-L-glutamate","retention time":"14.1576183","Mass":"189.0635535","KEGGid":"C00624","Lmid":"0","InchiKEY":"RFMMMVDNIPUKGG-YFKPBYRVSA-N","HMDBID":"HMDB01138"},{"Metabolite":"2 -(Butylamido)-4-hydroxybutanoic acid","retention time":"7.396943258","Mass":"189.1001886","KEGGid":"C11843","Lmid":"0","InchiKEY":"FWULQXYJOANGSS-UHFFFAOYSA-N","HMDBID":"0"},{"Metabolite":"3-Dehydroquinate","retention time":"11.08490414","Mass":"190.047613","KEGGid":"C00944","Lmid":"0","InchiKEY":"WVMWZWGZRAXUBK-SYTVJDICSA-N","HMDBID":"HMDB12710"},{"Metabolite":"N-Carbamyl-L-glutamate","retention time":"16.78596242","Mass":"190.0590175","KEGGid":"C05829","Lmid":"0","InchiKEY":"LCQLHJZYVOQKHU-VKHMYHEASA-N","HMDBID":"0"},{"Metabolite":"7-Ethoxycoumarin","retention time":"9.769094016","Mass":"190.0629252","KEGGid":"C11052","Lmid":"0","InchiKEY":"LIFAQMGORKPVDH-UHFFFAOYSA-N","HMDBID":"0"},{"Metabolite":"N5-acetyl-N5-hydroxy-L-ornithine","retention time":"13.91300023","Mass":"190.0952854","KEGGid":"0","Lmid":"0","InchiKEY":"0","HMDBID":"0"},{"Metabolite":"N-Acetylmethionine","retention time":"7.375166575","Mass":"191.0616237","KEGGid":"C02712","Lmid":"0","InchiKEY":"XUYPXLNMDZIRQH-UHFFFAOYSA-N","HMDBID":"HMDB11745"},{"Metabolite":"Citrate","retention time":"18.74041012","Mass":"192.0270851","KEGGid":"C00158","Lmid":"0","InchiKEY":"KRKNYBCHXYNGOX-UHFFFAOYSA-N","HMDBID":"HMDB00094"},{"Metabolite":"Quinate","retention time":"13.239986","Mass":"192.0634238","KEGGid":"C00296","Lmid":"0","InchiKEY":"AAWZDTNXLSGCEK-WYWMIBKRSA-N","HMDBID":"HMDB03072"},{"Metabolite":"Oxoamide","retention time":"7.555106227","Mass":"192.0897289","KEGGid":"0","Lmid":"0","InchiKEY":"WOOSCPWOYYLIHS-UHFFFAOYSA-N","HMDBID":"HMDB01004"},{"Metabolite":"Thymyl acetate","retention time":"4.206737455","Mass":"192.115043","KEGGid":"C09909","Lmid":"0","InchiKEY":"WFMIUXMJJBBOGJ-UHFFFAOYSA-N","HMDBID":"0"},{"Metabolite":"γ-thiomethyl glutamate","retention time":"13.76979574","Mass":"193.0409456","KEGGid":"0","Lmid":"0","InchiKEY":"0","HMDBID":"0"},{"Metabolite":"Ferulate","retention time":"7.072064092","Mass":"194.0578065","KEGGid":"C01494","Lmid":"0","InchiKEY":"KSEBMYQBYZTDHS-HWKANZROSA-N","HMDBID":"HMDB00954"},{"Metabolite":"1-O-Methyl-myo-inositol","retention time":"13.29954881","Mass":"194.0789741","KEGGid":"C03659","Lmid":"0","InchiKEY":"DSCFFEYYQKSRSV-AGZHHQKVSA-N","HMDBID":"0"},{"Metabolite":"Oxidized Latia luciferin","retention time":"3.73867499","Mass":"194.1668623","KEGGid":"C03527","Lmid":"0","InchiKEY":"QJJDNZGPQDGNDX-UHFFFAOYSA-N","HMDBID":"0"},{"Metabolite":"1-thio-β-D-glucose","retention time":"18.70484588","Mass":"196.0403152","KEGGid":"0","Lmid":"0","InchiKEY":"0","HMDBID":"0"},{"Metabolite":"D-Gluconic acid","retention time":"14.0515384","Mass":"196.058191","KEGGid":"C00257","Lmid":"0","InchiKEY":"RGHNJXZEOKUKBD-SQOUGZDYSA-N","HMDBID":"HMDB00625"},{"Metabolite":"Tauropine","retention time":"9.28856252","Mass":"197.0357584","KEGGid":"C01616","Lmid":"0","InchiKEY":"VHYQDLYSULDZSO-SCSAIBSYSA-N","HMDBID":"0"},{"Metabolite":"gamma-Glutamyl-beta-aminopropiononitrile","retention time":"10.62340678","Mass":"199.0957712","KEGGid":"C06114","Lmid":"0","InchiKEY":"VQPVVWAFTIFKDD-LURJTMIESA-N","HMDBID":"0"},{"Metabolite":"D-Erythrose 4-phosphate","retention time":"12.86545817","Mass":"200.0086905","KEGGid":"C00279","Lmid":"0","InchiKEY":"NGHMDNPXVRFFGS-UHFFFAOYSA-N","HMDBID":"HMDB01321"},{"Metabolite":"Dodecanoic acid","retention time":"3.699361517","Mass":"200.1775499","KEGGid":"C02679","Lmid":"LMFA01010012","InchiKEY":"POULHZVOKOAJMA-UHFFFAOYSA-N","HMDBID":"HMDB00638"},{"Metabolite":"S-Sulfo-L-cysteine","retention time":"17.48897213","Mass":"200.976668","KEGGid":"C05824","Lmid":"0","InchiKEY":"NOKPBJYHPHHWAN-REOHCLBHSA-N","HMDBID":"HMDB00731"},{"Metabolite":"Diethyl 2-methyl-3-oxosuccinate","retention time":"7.377289937","Mass":"202.084247","KEGGid":"C04067","Lmid":"0","InchiKEY":"OQOCQBJWOCRPQY-UHFFFAOYSA-N","HMDBID":"0"},{"Metabolite":"[FA (10:0/2:0)] Decanedioic acid","retention time":"4.45044227","Mass":"202.1205189","KEGGid":"C08277","Lmid":"LMFA01170006","InchiKEY":"CXMXRPHRNRROMY-UHFFFAOYSA-N","HMDBID":"HMDB00792"},{"Metabolite":"N2-Acetyl-L-aminoadipate","retention time":"12.39552511","Mass":"203.0794703","KEGGid":"C12986","Lmid":"0","InchiKEY":"FTTGAAZKBNZDCZ-LURJTMIESA-N","HMDBID":"0"},{"Metabolite":"O-Acetylcarnitine","retention time":"7.283066559","Mass":"203.1156185","KEGGid":"C02571","Lmid":"0","InchiKEY":"RDHQFKQIGNGIED-MRVPVSSYSA-O","HMDBID":"HMDB00201"},{"Metabolite":"L-beta-aspartyl-L-alanine","retention time":"15.60488668","Mass":"204.0746098","KEGGid":"0","Lmid":"0","InchiKEY":"ARSVRKCVNFIICJ-UHFFFAOYSA-N","HMDBID":"HMDB11162"},{"Metabolite":"4-Heptyloxyphenol","retention time":"3.868045262","Mass":"208.1463267","KEGGid":"C14236","Lmid":"0","InchiKEY":"HZBABTUFXQLADL-UHFFFAOYSA-N","HMDBID":"0"},{"Metabolite":"D-Glucarate","retention time":"17.27953328","Mass":"210.037633","KEGGid":"C00818","Lmid":"0","InchiKEY":"DSLZVSRJTYRBFB-LLEIAEIESA-L","HMDBID":"0"},{"Metabolite":"5-Hydroxyferulate","retention time":"7.371349843","Mass":"210.0527699","KEGGid":"C05619","Lmid":"0","InchiKEY":"YFXWTVLDSKSYLW-NSCUHMNNSA-N","HMDBID":"0"},{"Metabolite":"Vanilpyruvicacid","retention time":"4.64049725","Mass":"210.0527782","KEGGid":"0","Lmid":"0","InchiKEY":"YGQHQTMRZPHIBB-UHFFFAOYSA-N","HMDBID":"HMDB11714"},{"Metabolite":"FA (13:2) tridecadienoic acid","retention time":"3.734916687","Mass":"210.1617497","KEGGid":"0","Lmid":"LMFA01030244","InchiKEY":"PTYZGNZCLHAQEB-BNFZFUHLSA-N","HMDBID":"0"},{"Metabolite":"FA oxo(12:1)","retention time":"3.788417953","Mass":"212.1413448","KEGGid":"C16309","Lmid":"LMFA01060093","InchiKEY":"INMKWUNQKOWGEZ-VQHVLOKHSA-N","HMDBID":"0"},{"Metabolite":"(S)-ACPA","retention time":"15.0413709","Mass":"214.0591073","KEGGid":"C13673","Lmid":"0","InchiKEY":"JDNMYUBSFDGCSX-YFKPBYRVSA-N","HMDBID":"0"},{"Metabolite":"FA methyl(12:0) dodecanoic acid","retention time":"3.68814486","Mass":"214.1932963","KEGGid":"0","Lmid":"LMFA01020005","InchiKEY":"YETWOCQNUTWSQA-UHFFFAOYSA-N","HMDBID":"0"},{"Metabolite":"sn-glycero-3-Phosphoethanolamine","retention time":"15.30237223","Mass":"215.0559458","KEGGid":"C01233","Lmid":"0","InchiKEY":"JZNWSCPGTDBMEW-RXMQYKEDSA-N","HMDBID":"HMDB00114"},{"Metabolite":"2-C-Methyl-D-erythritol 4-phosphate","retention time":"14.19043605","Mass":"216.039996","KEGGid":"C11434","Lmid":"0","InchiKEY":"XMWHRVNVKDKBRG-UHNVWZDZSA-N","HMDBID":"0"},{"Metabolite":"cis-(homo)3aconitate","retention time":"15.10753813","Mass":"216.0630963","KEGGid":"0","Lmid":"0","InchiKEY":"NGULBISQWGMRGK-WAYWQWQTSA-K","HMDBID":"0"},{"Metabolite":"Ile-Ser","retention time":"8.270887502","Mass":"218.1265369","KEGGid":"0","Lmid":"0","InchiKEY":"0","HMDBID":"0"},{"Metabolite":"4-Amino-2-methyl-5-phosphomethylpyrimidine","retention time":"14.33914871","Mass":"219.0410268","KEGGid":"C04556","Lmid":"0","InchiKEY":"PKYFHKIYHBRTPI-UHFFFAOYSA-N","HMDBID":"0"},{"Metabolite":"N-Acetyl-D-mannosaminolactone","retention time":"13.96126017","Mass":"219.0740792","KEGGid":"C03776","Lmid":"0","InchiKEY":"NELQYZRSPDCGRQ-XZBKPIIZSA-N","HMDBID":"0"},{"Metabolite":"5-Hydroxytryptophan","retention time":"9.933511183","Mass":"220.0847636","KEGGid":"C01017","Lmid":"0","InchiKEY":"LDCYZAJDBXYCGN-UHFFFAOYSA-N","HMDBID":"0"},{"Metabolite":"S-(3-oxo-3-carboxy-n-propyl)cysteine","retention time":"13.90154165","Mass":"221.035998","KEGGid":"0","Lmid":"0","InchiKEY":"MXVUEJUCBIAFCN-UHFFFAOYSA-N","HMDBID":"HMDB02135"},{"Metabolite":"L-Histidinol phosphate","retention time":"14.14850981","Mass":"221.0565907","KEGGid":"C01100","Lmid":"0","InchiKEY":"CWNDERHTHMWBSI-YFKPBYRVSA-N","HMDBID":"0"},{"Metabolite":"Dillapiole","retention time":"3.389955139","Mass":"222.0891459","KEGGid":"C10449","Lmid":"0","InchiKEY":"LIKYNOPXHGPMIH-UHFFFAOYSA-N","HMDBID":"0"},{"Metabolite":"Apiole","retention time":"7.10543968","Mass":"222.089179","KEGGid":"C10429","Lmid":"0","InchiKEY":"QQRSPHJOOXUALR-UHFFFAOYSA-N","HMDBID":"0"},{"Metabolite":"Dehydrovomifoliol","retention time":"4.145145861","Mass":"222.1255902","KEGGid":"C02533","Lmid":"LMPR0103050009","InchiKEY":"JJRYPZMXNLLZFH-URWSZGRFSA-N","HMDBID":"0"},{"Metabolite":"carbidopa","retention time":"8.009366608","Mass":"226.0953245","KEGGid":"0","Lmid":"0","InchiKEY":"TZFNLOMSOLWIDK-JTQLQIEISA-N","HMDBID":"0"},{"Metabolite":"1,8-Diazacyclotetradecane-2,9-dione","retention time":"7.210861558","Mass":"226.1680449","KEGGid":"C04277","Lmid":"0","InchiKEY":"HERSSAVMHCMYSQ-UHFFFAOYSA-N","HMDBID":"0"},{"Metabolite":"[FA hydroxy(11:2/11:2)] 2R,9R-dihydroxy-3S,4S,7S,8S-diepoxy-5E,10-undecadien-1-ol","retention time":"8.808603312","Mass":"228.0997432","KEGGid":"0","Lmid":"LMFA05000013","InchiKEY":"WWAQOPQUSWZTHG-SHEFQFEDSA-N","HMDBID":"0"},{"Metabolite":"Traumatic acid","retention time":"4.621866735","Mass":"228.1363964","KEGGid":"C16308","Lmid":"LMFA01170002","InchiKEY":"MAZWDMBCPDUFDJ-VQHVLOKHSA-N","HMDBID":"HMDB00933"},{"Metabolite":"Tetradecanoic acid","retention time":"3.635735908","Mass":"228.2088695","KEGGid":"C06424","Lmid":"LMFA01010014","InchiKEY":"TUNFSRHWOTWDNC-UHFFFAOYSA-N","HMDBID":"HMDB00806"},{"Metabolite":"D-Ribose 5-phosphate","retention time":"15.67698873","Mass":"230.019486","KEGGid":"C00117","Lmid":"0","InchiKEY":"KTVPXOYAKDPRHY-SOOFDHNKSA-N","HMDBID":"HMDB01548"},{"Metabolite":"Ile-Thr","retention time":"7.38034668","Mass":"232.1422661","KEGGid":"0","Lmid":"0","InchiKEY":"0","HMDBID":"0"},{"Metabolite":"L-beta-aspartyl-L-threonine","retention time":"15.50732131","Mass":"234.0852221","KEGGid":"0","Lmid":"0","InchiKEY":"XPMVVZFGFJOFSL-UHFFFAOYSA-N","HMDBID":"HMDB11169"},{"Metabolite":"Bakkenolide A","retention time":"3.837911557","Mass":"234.1618367","KEGGid":"C09350","Lmid":"0","InchiKEY":"OVXAYHNZXBOVPV-QMGNLALYSA-N","HMDBID":"0"},{"Metabolite":"3-Dimethylallyl-4-hydroxymandelic acid","retention time":"4.475070826","Mass":"236.1047968","KEGGid":"C12457","Lmid":"0","InchiKEY":"VBHJEUYYPUPECH-UHFFFAOYSA-N","HMDBID":"0"},{"Metabolite":"Latia luciferin","retention time":"3.78714074","Mass":"236.1778417","KEGGid":"C02293","Lmid":"LMPR0103050003","InchiKEY":"MJURCEOLOMHLAX-ZRDIBKRKSA-N","HMDBID":"0"},{"Metabolite":"FA oxo(14:1) cyclopentanebutanoic acid","retention time":"3.916579183","Mass":"238.1567179","KEGGid":"0","Lmid":"LMFA02010010","InchiKEY":"LVQJNKFFJNUFNY-OPVGQWETSA-N","HMDBID":"0"},{"Metabolite":"Trimetaphosphate","retention time":"21.737423","Mass":"239.8988304","KEGGid":"C02466","Lmid":"0","InchiKEY":"AZSFNUJOCKMOGB-UHFFFAOYSA-N","HMDBID":"0"},{"Metabolite":"2-isocapryloyl-3R-hydroxymethyl-γ-butyrolactone","retention time":"4.231933339","Mass":"242.1518715","KEGGid":"0","Lmid":"0","InchiKEY":"0","HMDBID":"0"},{"Metabolite":"FA methyl(14:0)","retention time":"3.617050014","Mass":"242.2246386","KEGGid":"C16665","Lmid":"LMFA01020008","InchiKEY":"XKLJLHAPJBUBNL-UHFFFAOYSA-N","HMDBID":"0"},{"Metabolite":"L-Fucose 1-phosphate","retention time":"13.45540848","Mass":"244.034616","KEGGid":"C02985","Lmid":"0","InchiKEY":"PTVXQARCLQPGIR-SXUWKVJYSA-N","HMDBID":"HMDB01265"},{"Metabolite":"Pseudouridine","retention time":"11.7413876","Mass":"244.0694388","KEGGid":"C02067","Lmid":"0","InchiKEY":"PTJWIQPHWPFNBW-GBNDHIKLSA-N","HMDBID":"HMDB00767"},{"Metabolite":"FA methyl(14:0) dodecanedioic acid","retention time":"4.621800001","Mass":"244.1673584","KEGGid":"0","Lmid":"LMFA01170010","InchiKEY":"WQASHJMJHNWVAP-UHFFFAOYSA-N","HMDBID":"0"},{"Metabolite":"dihydrocamalexate","retention time":"10.78193766","Mass":"246.0460547","KEGGid":"0","Lmid":"0","InchiKEY":"GTTVJFCVXYCPHB-UHFFFAOYSA-M","HMDBID":"0"},{"Metabolite":"Glycerophosphoglycerol","retention time":"12.89675334","Mass":"246.0503681","KEGGid":"C03274","Lmid":"0","InchiKEY":"LLCSXHMJULHSJN-UHFFFAOYSA-N","HMDBID":"0"},{"Metabolite":"5-6-Dihydrouridine","retention time":"9.836072116","Mass":"246.0850236","KEGGid":"0","Lmid":"0","InchiKEY":"ZPTBLXKRQACLCR-XVFCMESISA-N","HMDBID":"HMDB00497"},{"Metabolite":"L-beta-aspartyl-L-leucine","retention time":"12.77433329","Mass":"246.1213396","KEGGid":"0","Lmid":"0","InchiKEY":"IYJILWQAFPUBHP-UHFFFAOYSA-N","HMDBID":"HMDB11166"},{"Metabolite":"Xanthoxin","retention time":"3.753159276","Mass":"250.1567998","KEGGid":"C13453","Lmid":"0","InchiKEY":"ZTALKMXOHWQNIA-TVBSHJCBSA-N","HMDBID":"0"},{"Metabolite":"FA (16:3)","retention time":"3.742554156","Mass":"250.1928877","KEGGid":"0","Lmid":"LMFA01030134","InchiKEY":"SBIXFICRPNNLIR-YHTMAJSVSA-N","HMDBID":"0"},{"Metabolite":"ubiquinol-1","retention time":"3.909058317","Mass":"252.1362793","KEGGid":"0","Lmid":"0","InchiKEY":"0","HMDBID":"0"},{"Metabolite":"N-Acetylvanilalanine","retention time":"8.005508296","Mass":"253.0949392","KEGGid":"0","Lmid":"0","InchiKEY":"UKDKTHYZLXZOSS-UHFFFAOYSA-N","HMDBID":"HMDB11716"},{"Metabolite":"5-L-Glutamyl-taurine","retention time":"15.56643728","Mass":"254.0572247","KEGGid":"C05844","Lmid":"0","InchiKEY":"WGXUDTHMEITUBO-YFKPBYRVSA-N","HMDBID":"HMDB04195"},{"Metabolite":"FA(16:1)","retention time":"3.591829486","Mass":"254.2247207","KEGGid":"C08362","Lmid":"LMFA01030056","InchiKEY":"SECPZKHBENQXJG-FPLPWBNLSA-N","HMDBID":"HMDB03229"},{"Metabolite":"Hexadecanoic acid","retention time":"3.590912824","Mass":"256.2400745","KEGGid":"C00249","Lmid":"LMFA01010001","InchiKEY":"IPCSVZSSVZVIGE-UHFFFAOYSA-N","HMDBID":"HMDB00220"},{"Metabolite":"Ribothymidine","retention time":"7.382841619","Mass":"258.0851267","KEGGid":"0","Lmid":"0","InchiKEY":"DWRXFEITVBNRMK-JXOAFFINSA-N","HMDBID":"HMDB00884"},{"Metabolite":"glycerophosphoserine","retention time":"15.24519348","Mass":"259.0456204","KEGGid":"0","Lmid":"0","InchiKEY":"ZWZWYGMENQVNFU-AKGZTFGVSA-N","HMDBID":"0"},{"Metabolite":"D-Glucose 6-phosphate","retention time":"16.27123455","Mass":"260.0298076","KEGGid":"C00092","Lmid":"0","InchiKEY":"NBSCHQHZLSJFNQ-GASJEMHNSA-N","HMDBID":"HMDB01401"},{"Metabolite":"L-gamma-glutamyl-L-isoleucine","retention time":"10.63719103","Mass":"260.1371723","KEGGid":"0","Lmid":"0","InchiKEY":"SNCKGJWJABDZHI-UHFFFAOYSA-N","HMDBID":"HMDB11170"},{"Metabolite":"Lys-Asn","retention time":"14.57185847","Mass":"260.1483481","KEGGid":"0","Lmid":"0","InchiKEY":"0","HMDBID":"0"},{"Metabolite":"sodium dodecyl sulfate","retention time":"3.489933346","Mass":"266.1550395","KEGGid":"0","Lmid":"0","InchiKEY":"MOTZDAYCYVMXPC-UHFFFAOYSA-M","HMDBID":"0"},{"Metabolite":"2(alpha-D-Mannosyl)-D-glycerate","retention time":"14.99954529","Mass":"268.0794431","KEGGid":"C11544","Lmid":"0","InchiKEY":"DDXCFDOPXBPUJC-SAYMMRJXSA-N","HMDBID":"0"},{"Metabolite":"FA methyl(16:1)","retention time":"3.626114087","Mass":"268.2402942","KEGGid":"0","Lmid":"LMFA01020203","InchiKEY":"DINXWFVSXJCVPK-JQIJEIRASA-N","HMDBID":"0"},{"Metabolite":"FA oxo(16:0)","retention time":"3.653423114","Mass":"270.2193533","KEGGid":"0","Lmid":"LMFA01060050","InchiKEY":"ZVNHILZUTNYFGT-UHFFFAOYSA-N","HMDBID":"0"},{"Metabolite":"FA (17:0)","retention time":"3.570652556","Mass":"270.2557767","KEGGid":"0","Lmid":"LMFA01010017","InchiKEY":"KEMQGTRYUADPNZ-UHFFFAOYSA-N","HMDBID":"HMDB02259"},{"Metabolite":"FA hydroxy(16:0)] hexadecanoic acid","retention time":"3.703387177","Mass":"272.2348798","KEGGid":"0","Lmid":"LMFA01050047","InchiKEY":"JGHSBPIZNUXPLA-UHFFFAOYSA-N","HMDBID":"0"},{"Metabolite":"1-O-(4-hydroxy-2-methylene-butanoyl)-beta-D-glucopyranose","retention time":"4.634862391","Mass":"278.1003058","KEGGid":"0","Lmid":"LMFA13010041","InchiKEY":"SQRUWMQAWMLKPR-RUHQBUNJSA-N","HMDBID":"0"},{"Metabolite":"2-Ethylhexyl phthalate","retention time":"3.617762835","Mass":"278.1517755","KEGGid":"C03343","Lmid":"0","InchiKEY":"DJDSLBVSSOQSLW-UHFFFAOYSA-N","HMDBID":"HMDB13248"},{"Metabolite":"[6]-Paradol","retention time":"3.657108339","Mass":"278.1882982","KEGGid":"C10482","Lmid":"0","InchiKEY":"CZNLTCTYLMYLHL-UHFFFAOYSA-N","HMDBID":"0"},{"Metabolite":"[FA (18:3)] 9Z,12Z,15Z-octadecatrienoic acid","retention time":"3.591000034","Mass":"278.2243499","KEGGid":"C06427","Lmid":"LMFA01030152","InchiKEY":"DTOSIQBPPRVQHS-PDBXOOCHSA-N","HMDBID":"HMDB01388"},{"Metabolite":"8-Oxocoformycin","retention time":"7.83546064","Mass":"282.0963771","KEGGid":"C02243","Lmid":"0","InchiKEY":"PICFAMQFTUCMDC-PNHWDRBUSA-N","HMDBID":"0"},{"Metabolite":"[FA (18:1)] 9Z-octadecenoic acid","retention time":"3.569617951","Mass":"282.255933","KEGGid":"C00712","Lmid":"LMFA01030002","InchiKEY":"ZQPPMHVWECSIRJ-KTKRTIGZSA-N","HMDBID":"HMDB00207"},{"Metabolite":"Octadecanoic acid","retention time":"3.562593587","Mass":"284.271298","KEGGid":"C01530","Lmid":"LMFA01010018","InchiKEY":"QIQXTHQIDYTFRH-UHFFFAOYSA-N","HMDBID":"HMDB00827"},{"Metabolite":"Orotidine","retention time":"12.72217077","Mass":"288.0593115","KEGGid":"0","Lmid":"0","InchiKEY":"FKCRAVPPBFWEJD-XVFCMESISA-N","HMDBID":"HMDB00788"},{"Metabolite":"Ile-Ala-Ser","retention time":"10.86822823","Mass":"289.1637792","KEGGid":"0","Lmid":"0","InchiKEY":"0","HMDBID":"0"},{"Metabolite":"D-Sedoheptulose 7-phosphate","retention time":"16.21442083","Mass":"290.0403127","KEGGid":"C05382","Lmid":"0","InchiKEY":"JDTUMPKOJBQPKX-UHFFFAOYSA-N","HMDBID":"0"},{"Metabolite":"2,7-Anhydro-alpha-N-acetylneuraminic acid","retention time":"13.3336733","Mass":"291.0955005","KEGGid":"C04521","Lmid":"0","InchiKEY":"NCMJSVDTRDLWJE-GSQQXRCOSA-N","HMDBID":"0"},{"Metabolite":"Trichodermin","retention time":"3.784195836","Mass":"292.16735","KEGGid":"C09741","Lmid":"0","InchiKEY":"HNEGCRMUYSKRRR-NWHWRWDZSA-N","HMDBID":"0"},{"Metabolite":"12-OPDA","retention time":"3.742291025","Mass":"292.2035765","KEGGid":"C01226","Lmid":"0","InchiKEY":"PMTMAFAPLCGXGK-JMTMCXQRSA-N","HMDBID":"0"},{"Metabolite":"Phytuberin","retention time":"3.63312824","Mass":"294.1835768","KEGGid":"C09709","Lmid":"0","InchiKEY":"YARAJYKHRCCDLG-XLNGHYISSA-N","HMDBID":"0"},{"Metabolite":"Aminoimidazole ribotide","retention time":"16.19860408","Mass":"295.0570026","KEGGid":"C03373","Lmid":"0","InchiKEY":"PDACUKOKVHBVHJ-XVFCMESISA-N","HMDBID":"HMDB01235"},{"Metabolite":"dehypoxanthine futalosine","retention time":"13.90923335","Mass":"296.0899621","KEGGid":"C17010","Lmid":"0","InchiKEY":"XWPBBHHZDYSYMS-ZXRVKKJVSA-N","HMDBID":"0"},{"Metabolite":"FA oxo(18:0)","retention time":"3.598942312","Mass":"298.2510017","KEGGid":"0","Lmid":"LMFA01060060","InchiKEY":"YQGGUZWHNVQJMF-UHFFFAOYSA-N","HMDBID":"HMDB10736"},{"Metabolite":"FA methyl(18:0)","retention time":"3.579330816","Mass":"298.2870453","KEGGid":"0","Lmid":"LMFA01020015","InchiKEY":"BEOUGZFCUMNGOU-UHFFFAOYSA-N","HMDBID":"HMDB04085"},{"Metabolite":"Cinnavalininate","retention time":"15.21415838","Mass":"300.0384528","KEGGid":"C05640","Lmid":"0","InchiKEY":"FSBKJYLVDRVPTK-UHFFFAOYSA-N","HMDBID":"HMDB04078"},{"Metabolite":"[PR] Tretinoin/All-Trans Retinoic Acid","retention time":"3.70661668","Mass":"300.2086548","KEGGid":"C00777","Lmid":"LMPR01090019","InchiKEY":"SHGAZHPCJJPHSC-YCNIQYBTSA-N","HMDBID":"HMDB01852"},{"Metabolite":"FA hydroxy(18:0)","retention time":"3.635760263","Mass":"300.2663352","KEGGid":"0","Lmid":"LMFA01050054","InchiKEY":"KIHBGTRZFAVZRV-UHFFFAOYSA-N","HMDBID":"0"},{"Metabolite":"PIPES","retention time":"14.70351273","Mass":"302.0604919","KEGGid":"0","Lmid":"0","InchiKEY":"IHPYMWDTONKSCO-UHFFFAOYSA-N","HMDBID":"0"},{"Metabolite":"Retinyl ester","retention time":"3.790968348","Mass":"302.2246392","KEGGid":"C02075","Lmid":"0","InchiKEY":"WWDMJSSVVPXVSV-YCNIQYBTSA-N","HMDBID":"HMDB03598"},{"Metabolite":"N-Acetyl-aspartyl-glutamate","retention time":"17.01187892","Mass":"304.0909399","KEGGid":"C12270","Lmid":"0","InchiKEY":"OPVPGKGADVGKTG-UHFFFAOYSA-N","HMDBID":"HMDB01067"},{"Metabolite":"FA (20:4)","retention time":"3.742683326","Mass":"304.2403688","KEGGid":"C00219","Lmid":"LMFA01030001","InchiKEY":"YZXBAPSDXZZRGB-DOFZRALJSA-N","HMDBID":"HMDB01043"},{"Metabolite":"2',3'-Cyclic CMP","retention time":"12.57325007","Mass":"305.0412492","KEGGid":"C02354","Lmid":"0","InchiKEY":"NMPZCCZXCOMSDQ-XVFCMESISA-N","HMDBID":"0"},{"Metabolite":"Inulicin","retention time":"3.723720805","Mass":"308.1623792","KEGGid":"C09483","Lmid":"0","InchiKEY":"QKVABRCMWRXFAF-HMTTWLPMSA-N","HMDBID":"0"},{"Metabolite":"FA methyl(18:2)","retention time":"3.563537187","Mass":"308.2353344","KEGGid":"0","Lmid":"LMFA01070012","InchiKEY":"WJRQEOOGBUSIOJ-OCJIRGAFSA-N","HMDBID":"0"},{"Metabolite":"N-Acetylneuraminate","retention time":"13.31356252","Mass":"309.1060371","KEGGid":"C00270","Lmid":"0","InchiKEY":"SQVRNKJHWKZAKO-LUWBGTNYSA-N","HMDBID":"HMDB00230"},{"Metabolite":"FA (20:0)","retention time":"3.529202603","Mass":"312.3028722","KEGGid":"C06425","Lmid":"LMFA01010020","InchiKEY":"VKOBVWXKNCXXDE-UHFFFAOYSA-N","HMDBID":"HMDB02212"},{"Metabolite":"Ala-Asn-Asn","retention time":"15.08722389","Mass":"317.1331364","KEGGid":"0","Lmid":"0","InchiKEY":"0","HMDBID":"0"},{"Metabolite":"Met-Ala-Pro","retention time":"14.50284758","Mass":"317.1414897","KEGGid":"0","Lmid":"0","InchiKEY":"0","HMDBID":"0"},{"Metabolite":"octulose 8-phosphate","retention time":"16.60832901","Mass":"320.0508201","KEGGid":"0","Lmid":"0","InchiKEY":"0","HMDBID":"0"},{"Metabolite":"beta-Citryl-L-glutamic acid","retention time":"20.28271188","Mass":"321.0698449","KEGGid":"0","Lmid":"0","InchiKEY":"GAQNUGISBQJMKO-YFKPBYRVSA-N","HMDBID":"HMDB13220"},{"Metabolite":"gamma-L-Glutamyl-L-cysteinyl-beta-alanine","retention time":"12.84990438","Mass":"321.0991398","KEGGid":"C04544","Lmid":"0","InchiKEY":"HKBNQXMLSMKLJV-BQBZGAKWSA-N","HMDBID":"0"},{"Metabolite":"[FA trihydroxy(2:0)] 9S,11R,15S-trihydroxy-2,3-dinor-5Z,13E-prostadienoic acid-cyclo[8S,12R]","retention time":"3.802655496","Mass":"326.2090283","KEGGid":"C14794","Lmid":"LMFA03110010","InchiKEY":"IDKLJIUIJUVJNR-JSEKUSAISA-N","HMDBID":"0"},{"Metabolite":"Carnosol","retention time":"4.122220866","Mass":"330.1826029","KEGGid":"C09069","Lmid":"0","InchiKEY":"XUSYGBPHQBWGAD-PJSUUKDQSA-N","HMDBID":"HMDB02121"},{"Metabolite":"Ala-Ala-Asn-Gly","retention time":"14.80175956","Mass":"331.1491069","KEGGid":"0","Lmid":"0","InchiKEY":"0","HMDBID":"0"},{"Metabolite":"sn-glycero-3-Phospho-1-inositol","retention time":"15.9898136","Mass":"334.0665531","KEGGid":"C01225","Lmid":"0","InchiKEY":"BMVUIWJCUQSHLZ-UJGXJMNGSA-N","HMDBID":"HMDB11649"},{"Metabolite":"Psoralidin","retention time":"7.375166575","Mass":"336.099275","KEGGid":"C10523","Lmid":"LMPK12090007","InchiKEY":"YABIJLLNNFURIJ-UHFFFAOYSA-N","HMDBID":"0"},{"Metabolite":"11-dehydro-2,3-dinor-TXB2","retention time":"3.738783391","Mass":"340.1883047","KEGGid":"0","Lmid":"LMFA03030013","InchiKEY":"0","HMDBID":"0"},{"Metabolite":"Docosanoic acid","retention time":"3.497500004","Mass":"340.3337377","KEGGid":"C08281","Lmid":"LMFA01010022","InchiKEY":"UKMSUNONTOPOIO-UHFFFAOYSA-N","HMDBID":"HMDB00944"},{"Metabolite":"S-(Formylmethyl)glutathione","retention time":"12.05510839","Mass":"349.0944121","KEGGid":"C14871","Lmid":"0","InchiKEY":"VKLQBAQSSOPXGF-YUMQZZPRSA-N","HMDBID":"0"},{"Metabolite":"15-Keto-prostaglandinE2","retention time":"4.280870819","Mass":"350.2090837","KEGGid":"C04707","Lmid":"LMFA03010030","InchiKEY":"YRTJDWROBKPZNV-KMXMBPPJSA-N","HMDBID":"HMDB03175"},{"Metabolite":"13,14-Dihydro-15-oxo-lipoxin A4","retention time":"7.378999964","Mass":"351.217215","KEGGid":"0","Lmid":"0","InchiKEY":"0","HMDBID":"HMDB12564"},{"Metabolite":"[FA trihydroxy(20:4)] 5S,12R,20-trihydroxy-6Z,8E,10E,14Z-eicosatetraenoic acid","retention time":"3.863612493","Mass":"352.2243916","KEGGid":"C04853","Lmid":"LMFA03020018","InchiKEY":"PTJFJXLGRSTECQ-PSPARDEHSA-N","HMDBID":"0"},{"Metabolite":"Phenolsulfonphthalein","retention time":"7.235784827","Mass":"354.0559396","KEGGid":"C12600","Lmid":"0","InchiKEY":"BELBBZDIHDAJOR-UHFFFAOYSA-N","HMDBID":"0"},{"Metabolite":"2-Hydroxy-1,3-dimethoxy-8,9-methylenedioxycoumestan","retention time":"7.231873661","Mass":"356.0532881","KEGGid":"0","Lmid":"LMPK12090048","InchiKEY":"POCRQIUFZUZJBZ-UHFFFAOYSA-N","HMDBID":"0"},{"Metabolite":"5,3'-Dihydroxy-4',5'-dimethoxy-6,7-methylenedioxyisoflavone","retention time":"7.375166575","Mass":"358.0688197","KEGGid":"0","Lmid":"LMPK12050420","InchiKEY":"PFFOGGCBLWTCPM-UHFFFAOYSA-N","HMDBID":"0"},{"Metabolite":"Miraxanthin-I","retention time":"14.79781375","Mass":"358.0838621","KEGGid":"C08554","Lmid":"0","InchiKEY":"KRWNKOCPQBHMPM-CEEUPZOTSA-N","HMDBID":"0"},{"Metabolite":"Glu-Met-Ser","retention time":"13.08317108","Mass":"365.1255407","KEGGid":"0","Lmid":"0","InchiKEY":"0","HMDBID":"0"},{"Metabolite":"9S,15S-dihydroxy-11-oxo-15-methyl-5Z,13E-prostadienoic acid","retention time":"3.541883341","Mass":"366.2399967","KEGGid":"0","Lmid":"LMFA03010050","InchiKEY":"CTXLUMAOXBULOZ-QEQARHSSSA-N","HMDBID":"0"},{"Metabolite":"Prostaglandin G2","retention time":"3.871179199","Mass":"368.2195033","KEGGid":"C05956","Lmid":"LMFA03010009","InchiKEY":"SGUKUZOVHSFKPH-YNNPMVKQSA-N","HMDBID":"HMDB03235"},{"Metabolite":"Tetracosanoic acid","retention time":"3.442318069","Mass":"368.3651844","KEGGid":"C08320","Lmid":"LMFA01010024","InchiKEY":"QZZGJDVWLFXDLK-UHFFFAOYSA-N","HMDBID":"HMDB02003"},{"Metabolite":"Ile-Cys-His","retention time":"14.69739031","Mass":"371.1633521","KEGGid":"0","Lmid":"0","InchiKEY":"0","HMDBID":"0"},{"Metabolite":"(R)-S-Lactoylglutathione","retention time":"12.54561666","Mass":"379.1054942","KEGGid":"C03451","Lmid":"0","InchiKEY":"VDYDCVUWILIYQF-CSMHCCOUSA-N","HMDBID":"HMDB01066"},{"Metabolite":"[SP] Sphing-4-enine-1-phosphate","retention time":"7.371349843","Mass":"379.2486331","KEGGid":"C06124","Lmid":"LMSP01050001","InchiKEY":"DUYSYHSSBDVJSM-KRWOKUGFSA-N","HMDBID":"HMDB00277"},{"Metabolite":"Met-Val-His","retention time":"12.61162109","Mass":"385.1789931","KEGGid":"0","Lmid":"0","InchiKEY":"0","HMDBID":"0"},{"Metabolite":"glutathione-sulfite","retention time":"19.59659993","Mass":"387.0407631","KEGGid":"0","Lmid":"0","InchiKEY":"WVRBCFLALSFRAF-UHFFFAOYSA-L","HMDBID":"0"},{"Metabolite":"Asp-Phe-Gly-Gly","retention time":"14.64183815","Mass":"394.1488146","KEGGid":"0","Lmid":"0","InchiKEY":"0","HMDBID":"0"},{"Metabolite":"methyl 8-[3,5-epidioxy-2-(3-hydroperoxy-1-pentenyl)-cyclopentyl]-octanoate","retention time":"3.621137492","Mass":"396.2510255","KEGGid":"0","Lmid":"LMFA01040054","InchiKEY":"SGTSZTLPOBUMKG-CXQIITPCSA-N","HMDBID":"0"},{"Metabolite":"CDP","retention time":"17.03791656","Mass":"403.0181119","KEGGid":"C00112","Lmid":"0","InchiKEY":"ZWIADYZPOWUWEW-XVFCMESISA-N","HMDBID":"HMDB01546"},{"Metabolite":"UDP","retention time":"16.55272903","Mass":"404.0020317","KEGGid":"C00015","Lmid":"0","InchiKEY":"XCCTYIAWTASOJW-XVFCMESISA-N","HMDBID":"HMDB00295"},{"Metabolite":"Nigakihemiacetal A","retention time":"3.750112534","Mass":"410.2299015","KEGGid":"C08772","Lmid":"0","InchiKEY":"POGHHDUAPIJTLG-XWNOXRIFSA-N","HMDBID":"0"},{"Metabolite":"dADP","retention time":"13.96726659","Mass":"411.0342463","KEGGid":"C00206","Lmid":"0","InchiKEY":"DAEAPNUQQAICNR-RRKCRQDMSA-N","HMDBID":"HMDB01508"},{"Metabolite":"Magnoshinin","retention time":"3.82306852","Mass":"414.204033","KEGGid":"C10658","Lmid":"0","InchiKEY":"MWJAXRZVJODRGN-FPTDNZKUSA-N","HMDBID":"0"},{"Metabolite":"ADP","retention time":"14.88849564","Mass":"427.0291246","KEGGid":"C00008","Lmid":"0","InchiKEY":"XTWYTFMLZFPYCI-KQYNXXCUSA-N","HMDBID":"HMDB01341"},{"Metabolite":"N-(1,3-dihydroxypropan-2-yl)-9S,11R,15S-trihydroxy-5Z,13E-prostadienoyl amine","retention time":"7.467394454","Mass":"427.2931606","KEGGid":"0","Lmid":"LMFA03010193","InchiKEY":"IRAOUIWKWHBHDC-GKUWGJHRSA-N","HMDBID":"0"},{"Metabolite":"CMP-2-aminoethylphosphonate","retention time":"14.96497091","Mass":"430.06511","KEGGid":"C05673","Lmid":"0","InchiKEY":"FBADRUOBFLBKJQ-PEBGCTIMSA-N","HMDBID":"0"},{"Metabolite":"[PE(16:1)] 1-(1Z-hexadecenyl)-sn-glycero-3-phosphoethanolamine","retention time":"4.218429184","Mass":"437.2902401","KEGGid":"0","Lmid":"LMGP02070001","InchiKEY":"QYTPGOPLNFESQC-NUTQULCTSA-N","HMDBID":"HMDB11152"},{"Metabolite":"[PR trihydroxy(2:0)] (-)-8alpha,15-diacetoxy-4beta,9alpha,14beta-trihydroxy-3(16)-fusicoccene","retention time":"3.784216626","Mass":"438.261551","KEGGid":"0","Lmid":"LMPR0104350001","InchiKEY":"AMBIXBPMZZPLEH-RITQMIIASA-N","HMDBID":"0"},{"Metabolite":"CDP-ethanolamine","retention time":"16.06874593","Mass":"446.0602067","KEGGid":"C00570","Lmid":"0","InchiKEY":"WVIMUEUQJFPNDK-PEBGCTIMSA-N","HMDBID":"HMDB01564"},{"Metabolite":"Glycochenodeoxycholate","retention time":"4.207715268","Mass":"449.3140541","KEGGid":"C05466","Lmid":"LMST05030008","InchiKEY":"GHCZAUBVMUEKKP-GYPHWSFCSA-N","HMDBID":"HMDB00637"},{"Metabolite":"LysoPE(16:1)","retention time":"4.295775096","Mass":"451.2697692","KEGGid":"0","Lmid":"LMGP02050010","InchiKEY":"DSOWUEHXZJUNID-WHXUGTBJSA-N","HMDBID":"HMDB11504"},{"Metabolite":"9S,15S-dihydroxy-11R,18-diacetoxy-5Z,13E-prostadienoic acid","retention time":"3.784212494","Mass":"454.2561184","KEGGid":"0","Lmid":"LMFA03010098","InchiKEY":"RPLPBOQMXRLFMI-WWHNEAPVSA-N","HMDBID":"0"},{"Metabolite":"Asp-Cys-Cys-Gln","retention time":"15.76162516","Mass":"467.114044","KEGGid":"0","Lmid":"0","InchiKEY":"0","HMDBID":"0"},{"Metabolite":"Arg-Asp-Cys-Ser","retention time":"12.34731519","Mass":"479.1789329","KEGGid":"0","Lmid":"0","InchiKEY":"0","HMDBID":"0"},{"Metabolite":"LysoPE(18:1)","retention time":"4.212860006","Mass":"479.3002749","KEGGid":"0","Lmid":"LMGP02060004","InchiKEY":"CDONWGCJDDHTLP-DJYGDJEFSA-N","HMDBID":"0"},{"Metabolite":"dTTP","retention time":"16.12382507","Mass":"481.9889955","KEGGid":"C00459","Lmid":"0","InchiKEY":"NHVNXKFIZYSCEB-XLPZGREQSA-N","HMDBID":"HMDB01342"},{"Metabolite":"UTP","retention time":"18.07825012","Mass":"483.9681452","KEGGid":"C00075","Lmid":"0","InchiKEY":"PGAVKCOVUIYSFO-XVFCMESISA-N","HMDBID":"HMDB00285"},{"Metabolite":"dATP","retention time":"15.75355428","Mass":"491.0005874","KEGGid":"C00131","Lmid":"0","InchiKEY":"SUYVUBYJARFZHO-RRKCRQDMSA-N","HMDBID":"HMDB01532"},{"Metabolite":"PA(22:1(11Z)/0:0)","retention time":"3.422496694","Mass":"492.3224246","KEGGid":"0","Lmid":"LMGP10050029","InchiKEY":"SNGZFCPKZNNZFT-FJIRUFBNSA-N","HMDBID":"0"},{"Metabolite":"Asp-Thr-Cys-Tyr","retention time":"12.27384412","Mass":"500.1579878","KEGGid":"0","Lmid":"0","InchiKEY":"0","HMDBID":"0"},{"Metabolite":"LysoPE(20:4)","retention time":"4.15663751","Mass":"501.2853544","KEGGid":"0","Lmid":"0","InchiKEY":"YWOCITMXHHTBAW-XSQXPFHXSA-N","HMDBID":"HMDB11487"},{"Metabolite":"ATP","retention time":"16.39915009","Mass":"506.9953483","KEGGid":"C00002","Lmid":"0","InchiKEY":"ZKHQWZAMYRWXGA-KQYNXXCUSA-N","HMDBID":"HMDB00538"},{"Metabolite":"Arg-Lys-Thr-Asp","retention time":"29.31478209","Mass":"518.2814669","KEGGid":"0","Lmid":"0","InchiKEY":"0","HMDBID":"0"},{"Metabolite":"Gln-Leu-Lys-Tyr","retention time":"16.94140912","Mass":"550.3110634","KEGGid":"0","Lmid":"0","InchiKEY":"0","HMDBID":"0"},{"Metabolite":"Glu-Lys-Lys-Phe","retention time":"15.88705834","Mass":"550.3124599","KEGGid":"0","Lmid":"0","InchiKEY":"0","HMDBID":"0"},{"Metabolite":"UDP-glucose","retention time":"16.44252497","Mass":"566.0546833","KEGGid":"C00029","Lmid":"0","InchiKEY":"HSCJRCZFDFQWRP-JZMIEXBBSA-N","HMDBID":"HMDB00286"},{"Metabolite":"Arg-Thr-Gln-Tyr","retention time":"21.78579203","Mass":"566.2806375","KEGGid":"0","Lmid":"0","InchiKEY":"0","HMDBID":"0"},{"Metabolite":"GDP-4-dehydro-3,6-dideoxymannose","retention time":"16.44190002","Mass":"571.0712047","KEGGid":"0","Lmid":"0","InchiKEY":"ACAXSHCRYZSKNE-FFJBUIDMSA-L","HMDBID":"0"},{"Metabolite":"GDP-3,6-dideoxy-D-galactose","retention time":"12.65180003","Mass":"573.0862186","KEGGid":"C05136","Lmid":"0","InchiKEY":"GRUFZTGABLSDFG-PHMHICHTSA-N","HMDBID":"0"},{"Metabolite":"stigmast-5-en-3beta-ol 3-0-beta-D-glucopyranoside","retention time":"3.906325629","Mass":"576.4382578","KEGGid":"0","Lmid":"LMST01040197","InchiKEY":"NPJICTMALKLTFW-VZBMRHBLSA-N","HMDBID":"0"},{"Metabolite":"UDP-glucuronate","retention time":"19.48258362","Mass":"580.0340513","KEGGid":"C00167","Lmid":"0","InchiKEY":"HDYANYHVCAPMJV-LXQIFKJMSA-N","HMDBID":"HMDB00935"},{"Metabolite":"His-Met-Phe-Phe","retention time":"12.19062616","Mass":"580.2472922","KEGGid":"0","Lmid":"0","InchiKEY":"0","HMDBID":"0"},{"Metabolite":"GDP-L-fucose","retention time":"17.67837575","Mass":"589.0820781","KEGGid":"C00325","Lmid":"0","InchiKEY":"LQEBEXMHBLQMDB-JGQUBWHWSA-N","HMDBID":"HMDB01095"},{"Metabolite":"2-sinapoyloxy-3-butenylglucosinolate","retention time":"17.68637543","Mass":"595.102099","KEGGid":"0","Lmid":"0","InchiKEY":"0","HMDBID":"0"},{"Metabolite":"UDP-N-acetyl-D-galactosamine","retention time":"15.05667063","Mass":"607.0810559","KEGGid":"C00203","Lmid":"LMSL01010002","InchiKEY":"LFTYTUAZOPRMMI-UHFFFAOYSA-N","HMDBID":"HMDB00304"},{"Metabolite":"CMP-N-acetylneuraminate","retention time":"15.1065417","Mass":"614.1473986","KEGGid":"C00128","Lmid":"0","InchiKEY":"TXCIAUNLDRJGJZ-BILDWYJOSA-N","HMDBID":"HMDB01176"},{"Metabolite":"NADH","retention time":"13.21366247","Mass":"665.1242397","KEGGid":"C00004","Lmid":"0","InchiKEY":"BOPGDPNILDQYTO-NNYOXOHSSA-N","HMDBID":"HMDB01487"},{"Metabolite":"PG(32:1)","retention time":"3.46518336","Mass":"720.4934691","KEGGid":"0","Lmid":"0","InchiKEY":"0","HMDBID":"0"},{"Metabolite":"NADP+","retention time":"16.55296656","Mass":"743.0757165","KEGGid":"C00006","Lmid":"0","InchiKEY":"XJLXINKUBYWONI-NNYOXOHSSA-O","HMDBID":"HMDB00217"},{"Metabolite":"NADPH","retention time":"17.31291656","Mass":"745.091476","KEGGid":"C00005","Lmid":"0","InchiKEY":"ACFIXJIJDZMPPO-NNYOXOHSSA-N","HMDBID":"HMDB00221"},{"Metabolite":"PS(34:1)","retention time":"3.427520752","Mass":"761.5200477","KEGGid":"0","Lmid":"0","InchiKEY":"QRWCPZZFGKGUHF-FQGNUJBYSA-N","HMDBID":"0"},{"Metabolite":"PS(36:1)","retention time":"3.459353333","Mass":"789.5510194","KEGGid":"0","Lmid":"0","InchiKEY":"AJFWREUFUPEYII-PAHWMLEVSA-N","HMDBID":"0"}]
}

}