{
"METABOLOMICS WORKBENCH":{"STUDY_ID":"ST002775","ANALYSIS_ID":"AN004517","VERSION":"1","CREATED_ON":"July 10, 2023, 7:44 am"},

"PROJECT":{"PROJECT_TITLE":"Regenerative Metabolomic Profiles of the Zebrafish Visual System","PROJECT_SUMMARY":"Zebrafish (Danio Rerio) have the capacity for successful adult optic nerve regeneration. In contrast, mammals lack this intrinsic ability and undergo irreversible neurodegeneration seen in glaucoma and other optic neuropathies. Optic nerve regeneration is often studied using optic nerve crush, a mechanical neurodegenerative model. Currently, untargeted metabolomic studies within successful regenerative models are deficient. Evaluation of tissue metabolomic changes in active zebrafish optic nerve regeneration can elucidate prioritized metabolite pathways to be targeted in mammalian systems for therapeutic development. Female and male (6 month to 1 year old) right Zebrafish (Tg(gap43:GFP)) optic nerves were crushed and collected three days after. The associated retinas and tecta were also collected under the same conditions for metabolic analysis. Contralateral, uninjured optic nerves, retinas and tecta were collected as controls. The three tissue types (optic nerve, retina, and tectum) were dissected from euthanized fish and frozen on dry ice. Optic nerve samples were pooled for each category (female crush, female control, male crush, male control) and pooled at n = 31 to obtain sufficient metabolite concentrations for analysis. Retina and tectum samples were pooled using the same categories (female crush, female control, male crush, male control) at n = 10-12. Regeneration was verified by microscope visualization of GFP fluorescence. Metabolites were extracted using a Precellys Homogenizer and a serial extraction method: (1) 1:1 Methanol/Water and (2) 8:1:1 Acetonitrile/Methanol/Acetone. Metabolites were analyzed by untargeted liquid chromatography-mass spectrometry (LC MS-MS) profiling using a Q-Exactive Orbitrap instrument coupled with Vanquish Horizon Binary UHPLC LC-MS system. Metabolites were identified and quantified using Compound Discoverer 3.3 and isotopic internal metabolite standards.","INSTITUTE":"University of Miami","DEPARTMENT":"McKnight - Ophthalmology","LABORATORY":"Bhattacharya Lab","LAST_NAME":"Bhattacharya","FIRST_NAME":"Sanjoy","ADDRESS":"1638 NW 10th Avenue, Room 706-A, Miami, FL 33136","EMAIL":"sbhattacharya@med.miami.edu","PHONE":"3054824103"},

"STUDY":{"STUDY_TITLE":"Zebrafish Retina Regeneration Metabolomics - 3 Days Post Crush","STUDY_SUMMARY":"Retinal regeneration has been at the forefront of optic research. Regenerative model organisms provide key information regarding treatment for optic nerve and retinal degeneration in mammalian species; specifically, Zebrafish (Danio Rerio) have the capacity for successful adult retinal regeneration. Mammals, however, lack this intrinsic ability and undergo irreversible neurodegeneration seen in glaucoma, diabetes and other optic neuropathies. Optic nerve and retinal regeneration are often studied using the retina obtained via optic nerve crush, a mechanical neurodegenerative model. Untargeted metabolomic studies within successful regenerative models are deficient. Evaluation of tissue metabolomic changes in active zebrafish retinal regeneration can elucidate prioritized metabolite pathways that can be targeted in mammalian systems for therapeutic development. Female and male (6 month to 1 year old) right Zebrafish (Tg(gap43:GFP)) optic nerves were crushed and the retinas were collected three days after. Contralateral, uninjured optic nerve retinas were collected as controls. The tissue was dissected from euthanized fish and frozen on dry ice. Samples were pooled for each category (female crush, female control, male crush, male control) and pooled at n = 10-12 to obtain sufficient metabolite concentrations for analysis. Retinal regeneration was verified by microscope visualization of GFP fluorescence. Metabolites were extracted using a Precellys Homogenizer and a serial extraction method: (1) 1:1 Methanol/Water and (2) 8:1:1 Acetonitrile/Methanol/Acetone. Metabolites were analyzed by untargeted liquid chromatography-mass spectrometry (LC MS-MS) profiling using a Q-Exactive Orbitrap instrument coupled with Vanquish Horizon Binary UHPLC LC-MS system. Metabolites were identified and quantified using Compound Discoverer 3.3 and isotopic internal metabolites standards.","INSTITUTE":"University of Miami","DEPARTMENT":"McKnight - Ophthalmology","LABORATORY":"Bhattacharya Lab","LAST_NAME":"Bhattacharya","FIRST_NAME":"Sanjoy","ADDRESS":"1638 NW 10th Avenue, Room 706-A, Miami, FL 33136","EMAIL":"sbhattacharya@med.miami.edu","NUM_GROUPS":"2","TOTAL_SUBJECTS":"67","NUM_MALES":"36","NUM_FEMALES":"31","PHONE":"3054824103"},

"SUBJECT":{"SUBJECT_TYPE":"Fish","SUBJECT_SPECIES":"Danio rerio","TAXONOMY_ID":"7955","GENDER":"Male and female"},
"SUBJECT_SAMPLE_FACTORS":[
{
"Subject ID":"-",
"Sample ID":"Right_Retina_1_POS",
"Factors":{"Sex":"Female","Treatment":"Injured"},
"Additional sample data":{"RAW_FILE_NAME":"Right_Retina_1_POS.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Left_Retina _1_POS",
"Factors":{"Sex":"Female","Treatment":"Uninjured"},
"Additional sample data":{"RAW_FILE_NAME":"Left_Retina _1_POS.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Right_Retina_2_POS",
"Factors":{"Sex":"Female","Treatment":"Injured"},
"Additional sample data":{"RAW_FILE_NAME":"Right_Retina_2_POS.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Left_Retina_2_POS",
"Factors":{"Sex":"Female","Treatment":"Uninjured"},
"Additional sample data":{"RAW_FILE_NAME":"Left_Retina_2_POS.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Right_Retina_3_POS",
"Factors":{"Sex":"Female","Treatment":"Injured"},
"Additional sample data":{"RAW_FILE_NAME":"Right_Retina_3_POS.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Left_Retina_3_POS",
"Factors":{"Sex":"Female","Treatment":"Uninjured"},
"Additional sample data":{"RAW_FILE_NAME":"Left_Retina_3_POS.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Right_Retina_4_POS",
"Factors":{"Sex":"Male","Treatment":"Injured"},
"Additional sample data":{"RAW_FILE_NAME":"Right_Retina_4_POS.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Left_Retina_4_POS",
"Factors":{"Sex":"Male","Treatment":"Uninjured"},
"Additional sample data":{"RAW_FILE_NAME":"Left_Retina_4_POS.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Right_Retina_5_POS",
"Factors":{"Sex":"Male","Treatment":"Injured"},
"Additional sample data":{"RAW_FILE_NAME":"Right_Retina_5_POS.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Left_Retina_5_POS",
"Factors":{"Sex":"Male","Treatment":"Uninjured"},
"Additional sample data":{"RAW_FILE_NAME":"Left_Retina_5_POS.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Right_Retina_6_POS",
"Factors":{"Sex":"Male","Treatment":"Injured"},
"Additional sample data":{"RAW_FILE_NAME":"Right_Retina_6_POS.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Left_Retina_6_POS",
"Factors":{"Sex":"Male","Treatment":"Uninjured"},
"Additional sample data":{"RAW_FILE_NAME":"Left_Retina_6_POS.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Right_Retina_1_NEG",
"Factors":{"Sex":"Female","Treatment":"Injured"},
"Additional sample data":{"RAW_FILE_NAME":"Right_Retina_1_NEG.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Left_Retina _1_NEG",
"Factors":{"Sex":"Female","Treatment":"Uninjured"},
"Additional sample data":{"RAW_FILE_NAME":"Left_Retina _1_NEG.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Right_Retina_2_NEG",
"Factors":{"Sex":"Female","Treatment":"Injured"},
"Additional sample data":{"RAW_FILE_NAME":"Right_Retina_2_NEG.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Left_Retina_2_NEG",
"Factors":{"Sex":"Female","Treatment":"Uninjured"},
"Additional sample data":{"RAW_FILE_NAME":"Left_Retina_2_NEG.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Right_Retina_3_NEG",
"Factors":{"Sex":"Female","Treatment":"Injured"},
"Additional sample data":{"RAW_FILE_NAME":"Right_Retina_3_NEG.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Left_Retina_3_NEG",
"Factors":{"Sex":"Female","Treatment":"Uninjured"},
"Additional sample data":{"RAW_FILE_NAME":"Left_Retina_3_NEG.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Right_Retina_4_NEG",
"Factors":{"Sex":"Male","Treatment":"Injured"},
"Additional sample data":{"RAW_FILE_NAME":"Right_Retina_4_NEG.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Left_Retina_4_NEG",
"Factors":{"Sex":"Male","Treatment":"Uninjured"},
"Additional sample data":{"RAW_FILE_NAME":"Left_Retina_4_NEG.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Right_Retina_5_NEG",
"Factors":{"Sex":"Male","Treatment":"Injured"},
"Additional sample data":{"RAW_FILE_NAME":"Right_Retina_5_NEG.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Left_Retina_5_NEG",
"Factors":{"Sex":"Male","Treatment":"Uninjured"},
"Additional sample data":{"RAW_FILE_NAME":"Left_Retina_5_NEG.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Right_Retina_6_NEG",
"Factors":{"Sex":"Male","Treatment":"Injured"},
"Additional sample data":{"RAW_FILE_NAME":"Right_Retina_6_NEG.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Left_Retina_6_NEG",
"Factors":{"Sex":"Male","Treatment":"Uninjured"},
"Additional sample data":{"RAW_FILE_NAME":"Left_Retina_6_NEG.raw"}
}
],
"COLLECTION":{"COLLECTION_SUMMARY":"In the tissue collection process, mice were euthanized using an overdose of MS-222. The optic nerve was removed via dissection from the optic nerve head to the optic chiasm. The retinas of both female and male Zebrafish were collected and separated into biological samples. Due to the small tissue and metabolomics resolution constraints, optic nerves were pooled to generate higher signal intensities. A total of 10-11 and 12 retinas were pooled from female and male zebrafish samples, respectively. The untreated retinas were pooled using the same protocol.","SAMPLE_TYPE":"Eye tissue"},

"TREATMENT":{"TREATMENT_SUMMARY":"For optic nerve crush, animals were deeply anesthetized in 0.033% tricaine methane-sulfonate (MS-222). The right optic nerve was exposed by gently removing the connective tissue on the dorsal half of the eye and rotating the eye ventrally out of the orbit with a number 5 forceps. A nerve crush was then performed using number 5 forceps to crush the nerve ~0.5–1 mm from the optic nerve head for 5 s. Success was observed by the generation of a translucent stripe in the nerve that completely separated two areas of white myelination with no bleeding. Fish were then revived in fresh aquatic system water in individual tanks. After 1 h the tanks were returned to the fish system and animals were maintained normally with daily feeding until 3 days post injury."},

"SAMPLEPREP":{"SAMPLEPREP_SUMMARY":"Retinas remained on dry ice to prevent metabolite degradation while the metabolite extraction was conducted. Tissues were transferred to 0.5mL Soft Tissue Lysing Kit Precellys tubes containing beads. Then, 84 µL of chilled 1:1 MeOH/H2O were added to Precellys tube. Pre-extraction internal standards were added to the tubes: 5µl of 1mg/ml Caffeine 13C6, 5µl of 1mg/ml D-Glucose 13C6, 5µl of 1mg/ml Oleic Acid 13C5, and 1µl of 5mg/mL Isoleucine 13C6 to each sample. Tissues were homogenized using Precellys 24 Touch. Cycle parameters: 2 cycles: 30 seconds homogenization at 4500 rpm, 10 seconds rest. Homogenate was transferred to a microcentrifuge tube and centrifuged at 18000xrcf for 20 min at 4°C. Then, collect supernatant and transfer pellet to Precellys Lysing Kit tube. Add 84uL of 8:1:1 Acetonitrile/Methanol/Acetone to pellet and add the rest of the pre-extraction internal standards: 5µl of 1mg/ml Caffeine 13C6, 5µl of 1mg/ml D-Glucose 13C6, 5µl of 1mg/ml Oleic Acid 13C5, 1µl of 5mg/mL Isoleucine 13C6. Final pre-extraction internal standards concentrations are 50μg/mL. Homogenization cycles were repeating using Precellys 24 Touch. Centrifuge as before and add second supernatant to first round of collected supernatant. Centrifuge at 1800xrcf for 20 min once more to remove any remaining tissue debris. Collect supernatant and dry supernatant in Speedvac. Two extraction blanks were prepared in the same manner as the biological samples. Dried samples were reconstituted immediately in 0.1% formic acid in 44.75µL of HPLC-MS grade water. Post-extraction internal standards were added: 25 µl of 5mg/ml Phenylalanine 13C6, 2.5 µl of .5mg/ml Uracil 13C 15N2, 1.25 µl of 1mg/ml Arginine 13C6, 1.25 µl of 1mg/ml Serine 13C3 to each sample."},

"CHROMATOGRAPHY":{"CHROMATOGRAPHY_SUMMARY":"Mobile Phases: NEG A: 10mM Ammonium Acetate in 95% ACN w/ .1% acetic acid NEG B: 10mM Ammonium Acetate in 50% ACN w/ .1% acetic acid POS A: 10mM Ammonium Formate in 95% ACN w/ .1% formic acid POS B: 10mM Ammonium Formate in 50% ACN w/ .1% formic acid","CHROMATOGRAPHY_TYPE":"HILIC","INSTRUMENT_NAME":"Thermo Vanquish","COLUMN_NAME":"Thermo Accucore Amide HILIC (150 x 2.1mm, 2.6um)","SOLVENT_A":"95% acetonitrile/5% water; 10mM Ammonium Formate; 0.1% formic acid","SOLVENT_B":"50% acetonitrile/50% water; 10mM Ammonium Formate; 0.1% formic acid","FLOW_GRADIENT":"PumpModule.Pump.Pump_Pressure.AcqOn 0.000 [min] Run PumpModule.Pump.Flow.Nominal: 0.500 [ml/min] PumpModule.Pump.%B.Value: 1.0 [%] PumpModule.Pump.Curve: 5 1.000 [min] PumpModule.Pump.Flow.Nominal: 0.500 [ml/min] PumpModule.Pump.%B.Value: 1.0 [%] PumpModule.Pump.Curve: 5 9.000 [min] PumpModule.Pump.Flow.Nominal: 0.500 [ml/min] PumpModule.Pump.%B.Value: 95.0 [%] PumpModule.Pump.Curve: 5 10.000 [min] PumpModule.Pump.Flow.Nominal: 0.500 [ml/min] PumpModule.Pump.%B.Value: 95.0 [%] PumpModule.Pump.Curve: 5 10.500 [min] PumpModule.Pump.Flow.Nominal: 0.500 [ml/min] PumpModule.Pump.%B.Value: 1.0 [%] PumpModule.Pump.Curve: 5 15.000 [min] PumpModule.Pump.Flow.Nominal: 0.500 [ml/min] PumpModule.Pump.%B.Value: 1.0 [%] PumpModule.Pump.Curve: 5 15.000 [min] Stop Run","FLOW_RATE":"0.5 ml/min","COLUMN_TEMPERATURE":"35 C"},

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

"MS":{"INSTRUMENT_NAME":"Thermo Q Exactive Orbitrap","INSTRUMENT_TYPE":"Orbitrap","MS_TYPE":"ESI","ION_MODE":"POSITIVE","MS_COMMENTS":"The samples were run using a Q ExactiveTM mass spectrometer coupled to a heated electrospray ionization (HESI) source. The spray voltage was set to 3.50 kV, capillary temperature to 350°C, sheath gas to 55, aux gas to 14, sweep gas to 4, and S-Lens RF Level to 30.0. The mass range was set to 67 – 1000 m/z, resolution 140,000 for full scan and 35,000 for ddMS2. AGC target was set to 1e6 for full scan and 2e5 for ddMS2. The max injection time (IT) was 100 seconds for full scan mode and 50 seconds for ddMS2. The number of microscans was 2, and normalized collision energy (NCE) was set to 20, 35, and 50. Samples were run in both positive and negative ion mode separately. The parameters for negative mode were the same except the spray voltage, which was set to 2.50 kV and capillary temperature to 380°C. Metabolites were identified from their Thermo.RAW scans using Compound DiscovererTM 3.3 software. Extraction blanks were used to determine and correct for reagent effects, allow for the creation of exclusions lists, mark background components, and filters the background components from the results table in Compound DiscovererTM 3.3. Pooled QCs were used for initial compound normalization and identification. All non-identified compounds were removed."},

"MS_METABOLITE_DATA":{
"Units":"Normalized Concentrations",

"Data":[{"Metabolite":"Zonisamide","Left_Retina _1_POS":"0.148587193","Left_Retina_2_POS":"0.044413096","Left_Retina_3_POS":"0.066490055","Left_Retina_4_POS":"0.02836385","Left_Retina_5_POS":"0.989458412","Left_Retina_6_POS":"0.223845288","Right_Retina_1_POS":"0.175444228","Right_Retina_2_POS":"0.088301123","Right_Retina_3_POS":"0.169705328","Right_Retina_4_POS":"0.704433146","Right_Retina_5_POS":"0.02999301","Right_Retina_6_POS":"0.067099643"},{"Metabolite":"(+/-)8(9)-EET","Left_Retina _1_POS":"2.546006577","Left_Retina_2_POS":"1.958074943","Left_Retina_3_POS":"0.578813204","Left_Retina_4_POS":"1.112645559","Left_Retina_5_POS":"0.977647201","Left_Retina_6_POS":"0.935262942","Right_Retina_1_POS":"0.931587697","Right_Retina_2_POS":"1.778442527","Right_Retina_3_POS":"1.140274472","Right_Retina_4_POS":"1.836501136","Right_Retina_5_POS":"1.056094102","Right_Retina_6_POS":"1.460114883"},{"Metabolite":"beta-Ionone","Left_Retina _1_POS":"7.900724239","Left_Retina_2_POS":"1.752008885","Left_Retina_3_POS":"2.130112588","Left_Retina_4_POS":"2.377268385","Left_Retina_5_POS":"0.14055756","Left_Retina_6_POS":"4.723278903","Right_Retina_1_POS":"2.848560364","Right_Retina_2_POS":"0.562559609","Right_Retina_3_POS":"0.668111158","Right_Retina_4_POS":"1.386303931","Right_Retina_5_POS":"5.162384087","Right_Retina_6_POS":"3.149286817"},{"Metabolite":"Oxibendazole","Left_Retina _1_POS":"67.98715474","Left_Retina_2_POS":"43.14216168","Left_Retina_3_POS":"33.10430009","Left_Retina_4_POS":"49.49131874","Left_Retina_5_POS":"65.70213496","Left_Retina_6_POS":"26.28582631","Right_Retina_1_POS":"73.07951251","Right_Retina_2_POS":"83.35262624","Right_Retina_3_POS":"71.13047798","Right_Retina_4_POS":"27.67452607","Right_Retina_5_POS":"32.64005324","Right_Retina_6_POS":"103.213015"},{"Metabolite":"1,2-dihydroxyheptadec-16-yn-4-yl acetate","Left_Retina _1_POS":"1.31492067","Left_Retina_2_POS":"2.224542521","Left_Retina_3_POS":"0.755967689","Left_Retina_4_POS":"1.012337269","Left_Retina_5_POS":"1.245266378","Left_Retina_6_POS":"1.35059726","Right_Retina_1_POS":"0.349652156","Right_Retina_2_POS":"1.194494229","Right_Retina_3_POS":"0.633566973","Right_Retina_4_POS":"0.478031575","Right_Retina_5_POS":"2.04523777","Right_Retina_6_POS":"1.699871537"},{"Metabolite":"2-Phenyl-4-pentenal","Left_Retina _1_POS":"18.27307861","Left_Retina_2_POS":"5.571365651","Left_Retina_3_POS":"0.942323028","Left_Retina_4_POS":"0.38795688","Left_Retina_5_POS":"0.595053651","Left_Retina_6_POS":"9.492523157","Right_Retina_1_POS":"1.362208045","Right_Retina_2_POS":"3.813108009","Right_Retina_3_POS":"3.562412665","Right_Retina_4_POS":"0.390316761","Right_Retina_5_POS":"11.77078664","Right_Retina_6_POS":"4.099207018"},{"Metabolite":"(5alpha,6alpha)-3-Methoxy-17-methyl-4,5-epoxymorphinan-6,14-diol","Left_Retina _1_POS":"0.245335523","Left_Retina_2_POS":"5.720242794","Left_Retina_3_POS":"0.166283404","Left_Retina_4_POS":"1.730876424","Left_Retina_5_POS":"0.776472357","Left_Retina_6_POS":"0.138063376","Right_Retina_1_POS":"4.064178599","Right_Retina_2_POS":"0.435606561","Right_Retina_3_POS":"0.433021062","Right_Retina_4_POS":"0.22880535","Right_Retina_5_POS":"0.262364901","Right_Retina_6_POS":"0.558693156"},{"Metabolite":"(R)-N-Methylcoclaurine","Left_Retina _1_POS":"0.397510359","Left_Retina_2_POS":"6.695636463","Left_Retina_3_POS":"0.325832569","Left_Retina_4_POS":"2.084652004","Left_Retina_5_POS":"0.981407757","Left_Retina_6_POS":"0.230375921","Right_Retina_1_POS":"4.793056085","Right_Retina_2_POS":"0.642550446","Right_Retina_3_POS":"0.713188569","Right_Retina_4_POS":"0.362026223","Right_Retina_5_POS":"0.408931989","Right_Retina_6_POS":"0.67579816"},{"Metabolite":"KJ9800000","Left_Retina _1_POS":"49.87571774","Left_Retina_2_POS":"42.12454036","Left_Retina_3_POS":"33.99350014","Left_Retina_4_POS":"32.19461515","Left_Retina_5_POS":"51.02999275","Left_Retina_6_POS":"29.87710508","Right_Retina_1_POS":"49.03035642","Right_Retina_2_POS":"63.76922374","Right_Retina_3_POS":"69.99374728","Right_Retina_4_POS":"48.45003207","Right_Retina_5_POS":"46.62505083","Right_Retina_6_POS":"61.20601455"},{"Metabolite":"(1S_4S)-4-Hydroxy-3-oxocyclohexane-1-carboxylate","Left_Retina _1_POS":"10.6100944","Left_Retina_2_POS":"9.048994478","Left_Retina_3_POS":"7.397438907","Left_Retina_4_POS":"9.280860997","Left_Retina_5_POS":"10.4708334","Left_Retina_6_POS":"5.651063044","Right_Retina_1_POS":"11.45661133","Right_Retina_2_POS":"12.92084529","Right_Retina_3_POS":"10.9214843","Right_Retina_4_POS":"8.459938741","Right_Retina_5_POS":"6.134101068","Right_Retina_6_POS":"12.62570514"},{"Metabolite":"3-BHA","Left_Retina _1_POS":"6.249991272","Left_Retina_2_POS":"14.52513708","Left_Retina_3_POS":"3.628334136","Left_Retina_4_POS":"20.56378407","Left_Retina_5_POS":"11.02040856","Left_Retina_6_POS":"3.975942886","Right_Retina_1_POS":"29.90678096","Right_Retina_2_POS":"1.749049821","Right_Retina_3_POS":"9.260114742","Right_Retina_4_POS":"5.914960659","Right_Retina_5_POS":"9.703056769","Right_Retina_6_POS":"15.29253236"},{"Metabolite":"(3S)-3-(Pentanoyloxy)-4-(trimethylammonio)butanoate","Left_Retina _1_POS":"2.011502919","Left_Retina_2_POS":"2.287094479","Left_Retina_3_POS":"1.449904146","Left_Retina_4_POS":"3.726682998","Left_Retina_5_POS":"3.400618469","Left_Retina_6_POS":"1.078659149","Right_Retina_1_POS":"8.311862928","Right_Retina_2_POS":"1.579338896","Right_Retina_3_POS":"2.940805371","Right_Retina_4_POS":"1.555399606","Right_Retina_5_POS":"1.75610512","Right_Retina_6_POS":"3.517880585"},{"Metabolite":"Carbofuran","Left_Retina _1_POS":"3.516219062","Left_Retina_2_POS":"7.027452656","Left_Retina_3_POS":"3.437210842","Left_Retina_4_POS":"9.691334445","Left_Retina_5_POS":"4.894607937","Left_Retina_6_POS":"1.744751278","Right_Retina_1_POS":"142.3217555","Right_Retina_2_POS":"6.262046696","Right_Retina_3_POS":"6.651780942","Right_Retina_4_POS":"4.159082317","Right_Retina_5_POS":"6.095093325","Right_Retina_6_POS":"8.037465179"},{"Metabolite":"Benzoyldehydro-2,3-dihydroxy-benzone","Left_Retina _1_POS":"1.196340466","Left_Retina_2_POS":"62.11946227","Left_Retina_3_POS":"1.799920442","Left_Retina_4_POS":"63.39093535","Left_Retina_5_POS":"9.960775269","Left_Retina_6_POS":"1.510323223","Right_Retina_1_POS":"169.221607","Right_Retina_2_POS":"4.618985609","Right_Retina_3_POS":"2.643923777","Right_Retina_4_POS":"1.612711699","Right_Retina_5_POS":"4.293710657","Right_Retina_6_POS":"6.903987916"},{"Metabolite":"(-)-trans-Carveol","Left_Retina _1_POS":"2.425347912","Left_Retina_2_POS":"2.898955827","Left_Retina_3_POS":"1.551392872","Left_Retina_4_POS":"4.491010575","Left_Retina_5_POS":"2.573733173","Left_Retina_6_POS":"0.957942665","Right_Retina_1_POS":"7.280342324","Right_Retina_2_POS":"5.431489235","Right_Retina_3_POS":"1.454720214","Right_Retina_4_POS":"2.99288345","Right_Retina_5_POS":"4.354006909","Right_Retina_6_POS":"3.8230543"},{"Metabolite":"Hexatriyne","Left_Retina _1_POS":"2.33103525","Left_Retina_2_POS":"2.38085717","Left_Retina_3_POS":"1.71187334","Left_Retina_4_POS":"1.124010564","Left_Retina_5_POS":"3.671152291","Left_Retina_6_POS":"1.524300543","Right_Retina_1_POS":"1.609479472","Right_Retina_2_POS":"4.132517674","Right_Retina_3_POS":"3.162538202","Right_Retina_4_POS":"2.022044767","Right_Retina_5_POS":"2.386713632","Right_Retina_6_POS":"4.384994007"},{"Metabolite":"2172","Left_Retina 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_1_POS":"0.498272688","Left_Retina_2_POS":"1.36488441","Left_Retina_3_POS":"93.10837986","Left_Retina_4_POS":"0.881221367","Left_Retina_5_POS":"0.538922012","Left_Retina_6_POS":"0.279764711","Right_Retina_1_POS":"0.768187859","Right_Retina_2_POS":"0.750691642","Right_Retina_3_POS":"0.793620514","Right_Retina_4_POS":"0.44334885","Right_Retina_5_POS":"0.575674395","Right_Retina_6_POS":"4.743975425"},{"Metabolite":"1-[1-(1-Benzothiophen-2-yl)ethyl]urea","Left_Retina _1_POS":"10.0524654","Left_Retina_2_POS":"10.27557825","Left_Retina_3_POS":"4.395195814","Left_Retina_4_POS":"9.683075307","Left_Retina_5_POS":"15.85921248","Left_Retina_6_POS":"5.770610396","Right_Retina_1_POS":"12.02447591","Right_Retina_2_POS":"16.18984239","Right_Retina_3_POS":"10.45905336","Right_Retina_4_POS":"4.054874591","Right_Retina_5_POS":"6.125565903","Right_Retina_6_POS":"10.32270509"},{"Metabolite":"1,3,7-Octanetriol","Left_Retina _1_POS":"11.07318902","Left_Retina_2_POS":"7.267437241","Left_Retina_3_POS":"6.327148424","Left_Retina_4_POS":"53.90270243","Left_Retina_5_POS":"8.493235024","Left_Retina_6_POS":"5.478813409","Right_Retina_1_POS":"7.842823682","Right_Retina_2_POS":"6.780612999","Right_Retina_3_POS":"67.65088992","Right_Retina_4_POS":"7.130961418","Right_Retina_5_POS":"5.989114489","Right_Retina_6_POS":"13.50697374"},{"Metabolite":"Capryloylglycine","Left_Retina _1_POS":"0.712963008","Left_Retina_2_POS":"0.612508999","Left_Retina_3_POS":"1.041320193","Left_Retina_4_POS":"0.888063571","Left_Retina_5_POS":"0.988041854","Left_Retina_6_POS":"0.485924808","Right_Retina_1_POS":"1.05236281","Right_Retina_2_POS":"1.555084426","Right_Retina_3_POS":"0.885403561","Right_Retina_4_POS":"0.735873733","Right_Retina_5_POS":"0.774831984","Right_Retina_6_POS":"0.968807718"},{"Metabolite":"ON1225000","Left_Retina _1_POS":"14.6252709","Left_Retina_2_POS":"8.601742516","Left_Retina_3_POS":"4.717219533","Left_Retina_4_POS":"7.383547257","Left_Retina_5_POS":"7.900606465","Left_Retina_6_POS":"3.93509936","Right_Retina_1_POS":"33.26917111","Right_Retina_2_POS":"17.75360381","Right_Retina_3_POS":"11.89350225","Right_Retina_4_POS":"6.222492674","Right_Retina_5_POS":"5.059823535","Right_Retina_6_POS":"8.632901613"},{"Metabolite":"5-Methoxybenzimidazole","Left_Retina _1_POS":"14.2471757","Left_Retina_2_POS":"10.51275644","Left_Retina_3_POS":"2.335819996","Left_Retina_4_POS":"7.974383228","Left_Retina_5_POS":"22.9918334","Left_Retina_6_POS":"10.91110351","Right_Retina_1_POS":"13.42270975","Right_Retina_2_POS":"13.19647245","Right_Retina_3_POS":"15.20936161","Right_Retina_4_POS":"7.612042392","Right_Retina_5_POS":"12.02266065","Right_Retina_6_POS":"17.01129639"},{"Metabolite":"3-Hydroxytetradecanedioic acid","Left_Retina _1_POS":"0.299152434","Left_Retina_2_POS":"0.258242681","Left_Retina_3_POS":"26.50922106","Left_Retina_4_POS":"0.198960453","Left_Retina_5_POS":"0.337577624","Left_Retina_6_POS":"0.153515839","Right_Retina_1_POS":"0.513939631","Right_Retina_2_POS":"0.489542436","Right_Retina_3_POS":"0.39629156","Right_Retina_4_POS":"0.2580497","Right_Retina_5_POS":"0.422254973","Right_Retina_6_POS":"0.391034667"},{"Metabolite":"[Similar to: 4-(acetylamino)phenyl 3-chlorobenzoate; ?Mass: 11.1428 Da]","Left_Retina _1_POS":"0.056102999","Left_Retina_2_POS":"0.041997893","Left_Retina_3_POS":"5.547630859","Left_Retina_4_POS":"0.043419979","Left_Retina_5_POS":"0.059932853","Left_Retina_6_POS":"0.064280722","Right_Retina_1_POS":"0.069546484","Right_Retina_2_POS":"0.073681116","Right_Retina_3_POS":"0.08730151","Right_Retina_4_POS":"0.052234107","Right_Retina_5_POS":"0.052576416","Right_Retina_6_POS":"0.073464869"},{"Metabolite":"5,6-Dimethylbenzimidazole","Left_Retina _1_POS":"0.891099882","Left_Retina_2_POS":"0.436154366","Left_Retina_3_POS":"0.251846863","Left_Retina_4_POS":"1.545881449","Left_Retina_5_POS":"0.580976922","Left_Retina_6_POS":"0.269028908","Right_Retina_1_POS":"1.626676543","Right_Retina_2_POS":"0.777595314","Right_Retina_3_POS":"0.820044711","Right_Retina_4_POS":"0.351954243","Right_Retina_5_POS":"0.705827885","Right_Retina_6_POS":"1.052852917"},{"Metabolite":"Ethanal tetramer","Left_Retina _1_POS":"2.402457312","Left_Retina_2_POS":"3.077230512","Left_Retina_3_POS":"2.748376056","Left_Retina_4_POS":"0.234807459","Left_Retina_5_POS":"0.419201125","Left_Retina_6_POS":"1.776815495","Right_Retina_1_POS":"5.771388666","Right_Retina_2_POS":"3.953131215","Right_Retina_3_POS":"3.483601267","Right_Retina_4_POS":"2.613563002","Right_Retina_5_POS":"2.506064299","Right_Retina_6_POS":"3.461558811"},{"Metabolite":"Cannabidiolicacid","Left_Retina _1_POS":"2.279430241","Left_Retina_2_POS":"2.386222253","Left_Retina_3_POS":"0.659991336","Left_Retina_4_POS":"7.114329338","Left_Retina_5_POS":"3.480931537","Left_Retina_6_POS":"0.546617921","Right_Retina_1_POS":"6.252284682","Right_Retina_2_POS":"2.309446914","Right_Retina_3_POS":"4.615899437","Right_Retina_4_POS":"3.082661738","Right_Retina_5_POS":"3.156017175","Right_Retina_6_POS":"5.137586803"},{"Metabolite":"Precocene II","Left_Retina _1_POS":"0.60649339","Left_Retina_2_POS":"5.103383671","Left_Retina_3_POS":"0.835182519","Left_Retina_4_POS":"1.339040316","Left_Retina_5_POS":"0.587036119","Left_Retina_6_POS":"0.272690433","Right_Retina_1_POS":"2.176525391","Right_Retina_2_POS":"0.615997521","Right_Retina_3_POS":"0.808764318","Right_Retina_4_POS":"0.473566291","Right_Retina_5_POS":"0.309847502","Right_Retina_6_POS":"0.973883732"},{"Metabolite":"Bemegride","Left_Retina _1_POS":"1.600724032","Left_Retina_2_POS":"1.445064857","Left_Retina_3_POS":"0.494921439","Left_Retina_4_POS":"1.855066374","Left_Retina_5_POS":"2.546207753","Left_Retina_6_POS":"1.332838829","Right_Retina_1_POS":"3.235979093","Right_Retina_2_POS":"4.828425699","Right_Retina_3_POS":"3.784728236","Right_Retina_4_POS":"2.915309546","Right_Retina_5_POS":"1.940649632","Right_Retina_6_POS":"2.903943404"},{"Metabolite":"(4E)-2-Oxohexenoicacid","Left_Retina _1_POS":"2.41354726","Left_Retina_2_POS":"1.801223286","Left_Retina_3_POS":"0.246182168","Left_Retina_4_POS":"0.636958325","Left_Retina_5_POS":"1.120673317","Left_Retina_6_POS":"0.664478315","Right_Retina_1_POS":"3.142557802","Right_Retina_2_POS":"2.443524833","Right_Retina_3_POS":"0.740199976","Right_Retina_4_POS":"1.899176914","Right_Retina_5_POS":"1.298151044","Right_Retina_6_POS":"1.734383881"},{"Metabolite":"8-Hydroxyquinoline","Left_Retina _1_POS":"0.808778459","Left_Retina_2_POS":"2.321496987","Left_Retina_3_POS":"0.331685851","Left_Retina_4_POS":"9.789035483","Left_Retina_5_POS":"151.2895515","Left_Retina_6_POS":"34.40716861","Right_Retina_1_POS":"7.112661062","Right_Retina_2_POS":"5.659047186","Right_Retina_3_POS":"1.963151124","Right_Retina_4_POS":"32.73031804","Right_Retina_5_POS":"214.9393102","Right_Retina_6_POS":"162.4998598"},{"Metabolite":"chavicol","Left_Retina _1_POS":"5.331069761","Left_Retina_2_POS":"4.661395266","Left_Retina_3_POS":"1.241883312","Left_Retina_4_POS":"3.157632064","Left_Retina_5_POS":"4.573867396","Left_Retina_6_POS":"2.91842204","Right_Retina_1_POS":"10.25146945","Right_Retina_2_POS":"4.73963791","Right_Retina_3_POS":"3.942700696","Right_Retina_4_POS":"2.593739621","Right_Retina_5_POS":"4.113689607","Right_Retina_6_POS":"5.347187864"},{"Metabolite":"Pantetheine","Left_Retina _1_POS":"16.79775683","Left_Retina_2_POS":"15.3911043","Left_Retina_3_POS":"2.712334384","Left_Retina_4_POS":"5.18652165","Left_Retina_5_POS":"12.30130196","Left_Retina_6_POS":"4.73118247","Right_Retina_1_POS":"5.248840253","Right_Retina_2_POS":"28.06444132","Right_Retina_3_POS":"20.19063914","Right_Retina_4_POS":"11.80975964","Right_Retina_5_POS":"13.07320333","Right_Retina_6_POS":"26.26694821"},{"Metabolite":"1,6-Dihydro-1-(3-methoxyphenethyl)-6-oxonicotinic acid","Left_Retina _1_POS":"0.082517637","Left_Retina_2_POS":"1.934828813","Left_Retina_3_POS":"0.096990154","Left_Retina_4_POS":"2.568178399","Left_Retina_5_POS":"3.277252714","Left_Retina_6_POS":"0.037361387","Right_Retina_1_POS":"5.893127179","Right_Retina_2_POS":"0.127697599","Right_Retina_3_POS":"0.085321646","Right_Retina_4_POS":"0.053636109","Right_Retina_5_POS":"0.542914772","Right_Retina_6_POS":"0.112421674"},{"Metabolite":"2-Hydroxypyridine","Left_Retina _1_POS":"1.008766332","Left_Retina_2_POS":"1.019329163","Left_Retina_3_POS":"0.59330641","Left_Retina_4_POS":"0.374749225","Left_Retina_5_POS":"1.084312947","Left_Retina_6_POS":"0.522388132","Right_Retina_1_POS":"1.40743589","Right_Retina_2_POS":"1.454311832","Right_Retina_3_POS":"1.248569377","Right_Retina_4_POS":"0.877053676","Right_Retina_5_POS":"1.077031179","Right_Retina_6_POS":"1.994104855"},{"Metabolite":"PEG-4","Left_Retina _1_POS":"99.66437164","Left_Retina_2_POS":"85.70206909","Left_Retina_3_POS":"81.61993124","Left_Retina_4_POS":"415.1668453","Left_Retina_5_POS":"121.3334729","Left_Retina_6_POS":"67.37048812","Right_Retina_1_POS":"174.1331589","Right_Retina_2_POS":"148.1626963","Right_Retina_3_POS":"122.808704","Right_Retina_4_POS":"89.8059647","Right_Retina_5_POS":"95.04836959","Right_Retina_6_POS":"113.0363804"},{"Metabolite":"Melagatran","Left_Retina _1_POS":"9.354593647","Left_Retina_2_POS":"8.395224278","Left_Retina_3_POS":"6.172137394","Left_Retina_4_POS":"5.915472904","Left_Retina_5_POS":"10.76643871","Left_Retina_6_POS":"5.72706214","Right_Retina_1_POS":"15.31915707","Right_Retina_2_POS":"12.02506457","Right_Retina_3_POS":"13.77339789","Right_Retina_4_POS":"8.69002028","Right_Retina_5_POS":"9.837325487","Right_Retina_6_POS":"16.09495623"},{"Metabolite":"(2Z)-3-Phenyl-1-(1-pyrrolidinyl)-2-propen-1-one","Left_Retina _1_POS":"0.097446601","Left_Retina_2_POS":"0.269511345","Left_Retina_3_POS":"0.057821469","Left_Retina_4_POS":"0.219432269","Left_Retina_5_POS":"7.864959398","Left_Retina_6_POS":"3.275257194","Right_Retina_1_POS":"0.432749639","Right_Retina_2_POS":"0.264777156","Right_Retina_3_POS":"0.48241114","Right_Retina_4_POS":"2.901475901","Right_Retina_5_POS":"0.283838097","Right_Retina_6_POS":"0.400793375"},{"Metabolite":"Lobelanine","Left_Retina _1_POS":"0.087047811","Left_Retina_2_POS":"0.800127676","Left_Retina_3_POS":"0.045310212","Left_Retina_4_POS":"0.375388862","Left_Retina_5_POS":"0.131016432","Left_Retina_6_POS":"0.071241627","Right_Retina_1_POS":"2.872577971","Right_Retina_2_POS":"0.130799102","Right_Retina_3_POS":"0.114070063","Right_Retina_4_POS":"0.09788616","Right_Retina_5_POS":"0.082693479","Right_Retina_6_POS":"0.169858541"},{"Metabolite":"PEG n7","Left_Retina _1_POS":"31.1419611","Left_Retina_2_POS":"31.6538354","Left_Retina_3_POS":"28.63373778","Left_Retina_4_POS":"380.7957914","Left_Retina_5_POS":"30.43338285","Left_Retina_6_POS":"14.54601163","Right_Retina_1_POS":"54.42980009","Right_Retina_2_POS":"41.23967635","Right_Retina_3_POS":"36.33584283","Right_Retina_4_POS":"27.99892318","Right_Retina_5_POS":"30.82186613","Right_Retina_6_POS":"21.12095978"},{"Metabolite":"HO-dPEG8-OH","Left_Retina _1_POS":"11.35541509","Left_Retina_2_POS":"8.070345134","Left_Retina_3_POS":"8.29395915","Left_Retina_4_POS":"276.6510421","Left_Retina_5_POS":"8.487865855","Left_Retina_6_POS":"4.67848578","Right_Retina_1_POS":"19.24040038","Right_Retina_2_POS":"19.24313304","Right_Retina_3_POS":"12.68854979","Right_Retina_4_POS":"10.75388961","Right_Retina_5_POS":"9.666121084","Right_Retina_6_POS":"10.65266183"},{"Metabolite":"[Similar to: PEG n10; ?Mass: -44.0267 Da]","Left_Retina _1_POS":"7.500899135","Left_Retina_2_POS":"4.442319417","Left_Retina_3_POS":"5.217128581","Left_Retina_4_POS":"200.9857593","Left_Retina_5_POS":"4.319540026","Left_Retina_6_POS":"2.964852078","Right_Retina_1_POS":"10.19307197","Right_Retina_2_POS":"11.53894838","Right_Retina_3_POS":"7.457770773","Right_Retina_4_POS":"6.15691102","Right_Retina_5_POS":"5.635603831","Right_Retina_6_POS":"6.082874771"},{"Metabolite":"Glibornuride","Left_Retina _1_POS":"2.680282069","Left_Retina_2_POS":"44.4041393","Left_Retina_3_POS":"2.567910726","Left_Retina_4_POS":"9.33157211","Left_Retina_5_POS":"9.83003927","Left_Retina_6_POS":"6.089782669","Right_Retina_1_POS":"159.7450782","Right_Retina_2_POS":"7.516862213","Right_Retina_3_POS":"4.225286043","Right_Retina_4_POS":"2.253124856","Right_Retina_5_POS":"12.09675246","Right_Retina_6_POS":"13.21627768"},{"Metabolite":"7-carboxy-7-deazaguanine","Left_Retina _1_POS":"3.101648851","Left_Retina_2_POS":"0.618045871","Left_Retina_3_POS":"2.849240152","Left_Retina_4_POS":"0.729083635","Left_Retina_5_POS":"2.039449948","Left_Retina_6_POS":"0.829690854","Right_Retina_1_POS":"3.173194711","Right_Retina_2_POS":"9.571830656","Right_Retina_3_POS":"6.629944386","Right_Retina_4_POS":"2.092826812","Right_Retina_5_POS":"0.398966656","Right_Retina_6_POS":"3.604905872"},{"Metabolite":"2-Mercaptoethanol","Left_Retina _1_POS":"27453.21288","Left_Retina_2_POS":"22767.9454","Left_Retina_3_POS":"16680.82332","Left_Retina_4_POS":"18181.32145","Left_Retina_5_POS":"27183.24308","Left_Retina_6_POS":"16426.97151","Right_Retina_1_POS":"26645.44891","Right_Retina_2_POS":"27687.43829","Right_Retina_3_POS":"25026.87233","Right_Retina_4_POS":"15837.76552","Right_Retina_5_POS":"18934.57913","Right_Retina_6_POS":"37946.34743"},{"Metabolite":"(S)-4-Hydroxymandelonitrile","Left_Retina _1_POS":"85.8750282","Left_Retina_2_POS":"98.60547355","Left_Retina_3_POS":"68.73383465","Left_Retina_4_POS":"60.08824456","Left_Retina_5_POS":"143.6084491","Left_Retina_6_POS":"57.93903366","Right_Retina_1_POS":"116.6110223","Right_Retina_2_POS":"130.1023883","Right_Retina_3_POS":"126.8231506","Right_Retina_4_POS":"108.6095575","Right_Retina_5_POS":"124.822728","Right_Retina_6_POS":"199.0496706"},{"Metabolite":"PEG n13","Left_Retina _1_POS":"1.013564082","Left_Retina_2_POS":"0.899712761","Left_Retina_3_POS":"0.585393723","Left_Retina_4_POS":"125.1858328","Left_Retina_5_POS":"0.991830958","Left_Retina_6_POS":"0.539159412","Right_Retina_1_POS":"1.073665467","Right_Retina_2_POS":"1.513728216","Right_Retina_3_POS":"0.946559867","Right_Retina_4_POS":"0.616856257","Right_Retina_5_POS":"0.77045177","Right_Retina_6_POS":"1.252102748"},{"Metabolite":"Histidylphenylalanine","Left_Retina _1_POS":"4.801978451","Left_Retina_2_POS":"9.379714649","Left_Retina_3_POS":"12.8519979","Left_Retina_4_POS":"3.066518881","Left_Retina_5_POS":"12.67991124","Left_Retina_6_POS":"0.635442529","Right_Retina_1_POS":"32.11083063","Right_Retina_2_POS":"19.57994471","Right_Retina_3_POS":"11.19630531","Right_Retina_4_POS":"10.21028764","Right_Retina_5_POS":"12.76669503","Right_Retina_6_POS":"3.78799694"},{"Metabolite":"PEG n6","Left_Retina _1_POS":"112.9303587","Left_Retina_2_POS":"117.0798901","Left_Retina_3_POS":"156.709598","Left_Retina_4_POS":"1179.350268","Left_Retina_5_POS":"194.7840297","Left_Retina_6_POS":"38.82781814","Right_Retina_1_POS":"220.1793978","Right_Retina_2_POS":"156.8504027","Right_Retina_3_POS":"79.06922109","Right_Retina_4_POS":"120.7115932","Right_Retina_5_POS":"68.82833699","Right_Retina_6_POS":"146.3102367"},{"Metabolite":"5-Hydroxyindole-3-acetic acid","Left_Retina _1_POS":"3.658225788","Left_Retina_2_POS":"112.015114","Left_Retina_3_POS":"3.222482723","Left_Retina_4_POS":"92.92087952","Left_Retina_5_POS":"12.49866876","Left_Retina_6_POS":"3.051713173","Right_Retina_1_POS":"193.0444528","Right_Retina_2_POS":"16.8646586","Right_Retina_3_POS":"8.231669412","Right_Retina_4_POS":"5.959429071","Right_Retina_5_POS":"2.221827526","Right_Retina_6_POS":"10.70061854"},{"Metabolite":"Istamycin C1","Left_Retina _1_POS":"11.06105739","Left_Retina_2_POS":"6.313677887","Left_Retina_3_POS":"7.708775629","Left_Retina_4_POS":"368.1783336","Left_Retina_5_POS":"6.270855333","Left_Retina_6_POS":"4.605967682","Right_Retina_1_POS":"14.0816272","Right_Retina_2_POS":"15.14383815","Right_Retina_3_POS":"11.5795451","Right_Retina_4_POS":"9.677381473","Right_Retina_5_POS":"7.173191622","Right_Retina_6_POS":"6.797443365"},{"Metabolite":"[Similar to: 2-[(4-chlorophenyl)sulfonyl]-N,N-dimethylacetamide; ?Mass: 38.1715 Da]","Left_Retina _1_POS":"21.96857617","Left_Retina_2_POS":"20.9446553","Left_Retina_3_POS":"33.00590615","Left_Retina_4_POS":"331.3829947","Left_Retina_5_POS":"45.47987479","Left_Retina_6_POS":"17.31136661","Right_Retina_1_POS":"36.65866102","Right_Retina_2_POS":"24.71415388","Right_Retina_3_POS":"33.61597272","Right_Retina_4_POS":"30.11629828","Right_Retina_5_POS":"23.77246838","Right_Retina_6_POS":"32.77753351"},{"Metabolite":"Myristamide","Left_Retina _1_POS":"13.69284352","Left_Retina_2_POS":"10.69768972","Left_Retina_3_POS":"8.947509127","Left_Retina_4_POS":"6.03358622","Left_Retina_5_POS":"15.51248615","Left_Retina_6_POS":"6.48451827","Right_Retina_1_POS":"20.24517895","Right_Retina_2_POS":"22.60561848","Right_Retina_3_POS":"16.73817238","Right_Retina_4_POS":"11.64232227","Right_Retina_5_POS":"10.57086819","Right_Retina_6_POS":"16.09177341"},{"Metabolite":"PEG n10","Left_Retina _1_POS":"6.581910752","Left_Retina_2_POS":"3.291335686","Left_Retina_3_POS":"4.480421299","Left_Retina_4_POS":"300.3922874","Left_Retina_5_POS":"3.895355391","Left_Retina_6_POS":"2.409772457","Right_Retina_1_POS":"8.379222836","Right_Retina_2_POS":"10.85812593","Right_Retina_3_POS":"6.478922897","Right_Retina_4_POS":"6.108668841","Right_Retina_5_POS":"3.833620736","Right_Retina_6_POS":"5.326703668"},{"Metabolite":"Uracil - C13,N15","Left_Retina _1_POS":"25","Left_Retina_2_POS":"25","Left_Retina_3_POS":"25","Left_Retina_4_POS":"25","Left_Retina_5_POS":"25","Left_Retina_6_POS":"25","Right_Retina_1_POS":"25","Right_Retina_2_POS":"25","Right_Retina_3_POS":"25","Right_Retina_4_POS":"25","Right_Retina_5_POS":"25","Right_Retina_6_POS":"25"},{"Metabolite":"[Similar to: PEG n7; ?Mass: 17.0262 Da]","Left_Retina _1_POS":"18.75237899","Left_Retina_2_POS":"15.21826661","Left_Retina_3_POS":"15.70451047","Left_Retina_4_POS":"329.7992504","Left_Retina_5_POS":"24.15518432","Left_Retina_6_POS":"8.684186119","Right_Retina_1_POS":"23.07635587","Right_Retina_2_POS":"15.06523218","Right_Retina_3_POS":"21.06923294","Right_Retina_4_POS":"16.42027507","Right_Retina_5_POS":"10.35093213","Right_Retina_6_POS":"19.60776353"},{"Metabolite":"norhaman","Left_Retina _1_POS":"3.634708365","Left_Retina_2_POS":"3.92441048","Left_Retina_3_POS":"4.259705751","Left_Retina_4_POS":"2.114886389","Left_Retina_5_POS":"8.049073778","Left_Retina_6_POS":"2.865747368","Right_Retina_1_POS":"5.731563892","Right_Retina_2_POS":"6.36891603","Right_Retina_3_POS":"6.693488782","Right_Retina_4_POS":"3.466592607","Right_Retina_5_POS":"7.874088396","Right_Retina_6_POS":"7.899185478"},{"Metabolite":"PEG n11","Left_Retina _1_POS":"3.267672133","Left_Retina_2_POS":"1.303250972","Left_Retina_3_POS":"2.446699859","Left_Retina_4_POS":"252.4481227","Left_Retina_5_POS":"1.795278832","Left_Retina_6_POS":"1.154162705","Right_Retina_1_POS":"5.200096156","Right_Retina_2_POS":"5.524072253","Right_Retina_3_POS":"4.006569462","Right_Retina_4_POS":"3.92805044","Right_Retina_5_POS":"2.280054043","Right_Retina_6_POS":"1.724736404"},{"Metabolite":"3-(1,2,3,4-tetrahydroisoquinolin-2-yl)-2-(2-thienylcarbonyl)acrylonitrile","Left_Retina _1_POS":"29.8549099","Left_Retina_2_POS":"23.46772799","Left_Retina_3_POS":"12.16109613","Left_Retina_4_POS":"6.530435529","Left_Retina_5_POS":"13.66433596","Left_Retina_6_POS":"7.528625493","Right_Retina_1_POS":"24.49494126","Right_Retina_2_POS":"23.8855078","Right_Retina_3_POS":"17.59844277","Right_Retina_4_POS":"9.222440706","Right_Retina_5_POS":"11.94993424","Right_Retina_6_POS":"19.09883183"},{"Metabolite":"2-Amino-3-methoxybenzoic acid","Left_Retina _1_POS":"95.96356999","Left_Retina_2_POS":"120.181907","Left_Retina_3_POS":"77.7047684","Left_Retina_4_POS":"75.38063921","Left_Retina_5_POS":"171.7610152","Left_Retina_6_POS":"79.70263611","Right_Retina_1_POS":"139.4744117","Right_Retina_2_POS":"149.9061292","Right_Retina_3_POS":"130.9602583","Right_Retina_4_POS":"130.4077337","Right_Retina_5_POS":"138.8093928","Right_Retina_6_POS":"238.8803747"},{"Metabolite":"PEG n12","Left_Retina _1_POS":"1.105214938","Left_Retina_2_POS":"0.845030749","Left_Retina_3_POS":"1.060801236","Left_Retina_4_POS":"222.0502197","Left_Retina_5_POS":"1.04617177","Left_Retina_6_POS":"0.511476049","Right_Retina_1_POS":"1.722167289","Right_Retina_2_POS":"3.726601951","Right_Retina_3_POS":"1.810019116","Right_Retina_4_POS":"2.184191533","Right_Retina_5_POS":"0.838690016","Right_Retina_6_POS":"1.19697271"},{"Metabolite":"[Similar to: (4-benzoylpiperidino)[4-(tert-butyl)phenyl]methanone; ?Mass: 38.0421 Da]","Left_Retina _1_POS":"5.217772476","Left_Retina_2_POS":"4.158398975","Left_Retina_3_POS":"4.006520217","Left_Retina_4_POS":"238.5473221","Left_Retina_5_POS":"6.849912439","Left_Retina_6_POS":"2.814705643","Right_Retina_1_POS":"2.239819272","Right_Retina_2_POS":"5.004336585","Right_Retina_3_POS":"7.572565597","Right_Retina_4_POS":"5.710416312","Right_Retina_5_POS":"3.710029182","Right_Retina_6_POS":"4.561952348"},{"Metabolite":"AminoDHQ","Left_Retina _1_POS":"0.635628765","Left_Retina_2_POS":"2.119093645","Left_Retina_3_POS":"0.178543489","Left_Retina_4_POS":"1.335533891","Left_Retina_5_POS":"0.80416445","Left_Retina_6_POS":"1.013098597","Right_Retina_1_POS":"29.26670341","Right_Retina_2_POS":"0.178916306","Right_Retina_3_POS":"1.583329105","Right_Retina_4_POS":"0.368110038","Right_Retina_5_POS":"1.290000021","Right_Retina_6_POS":"2.243401477"},{"Metabolite":"Salsolinol","Left_Retina _1_POS":"15.75678537","Left_Retina_2_POS":"17.02259577","Left_Retina_3_POS":"18.0438134","Left_Retina_4_POS":"7.076508805","Left_Retina_5_POS":"20.45628478","Left_Retina_6_POS":"8.684870364","Right_Retina_1_POS":"22.07855547","Right_Retina_2_POS":"29.29690274","Right_Retina_3_POS":"39.42738701","Right_Retina_4_POS":"14.57757368","Right_Retina_5_POS":"32.32860628","Right_Retina_6_POS":"50.70095237"},{"Metabolite":"3-Methylcrotonylglycine","Left_Retina _1_POS":"4.363549447","Left_Retina_2_POS":"39.28891811","Left_Retina_3_POS":"4.764153802","Left_Retina_4_POS":"46.59565715","Left_Retina_5_POS":"9.59278678","Left_Retina_6_POS":"2.659493228","Right_Retina_1_POS":"178.023671","Right_Retina_2_POS":"9.94902831","Right_Retina_3_POS":"2.656978686","Right_Retina_4_POS":"5.339342971","Right_Retina_5_POS":"5.661799742","Right_Retina_6_POS":"10.13469486"},{"Metabolite":"5-amino-1-phenyl-1H-pyrazole-4-carbonitrile","Left_Retina _1_POS":"9.95209331","Left_Retina_2_POS":"13.24345788","Left_Retina_3_POS":"7.827701949","Left_Retina_4_POS":"8.984789551","Left_Retina_5_POS":"25.27443512","Left_Retina_6_POS":"8.65093837","Right_Retina_1_POS":"15.87355848","Right_Retina_2_POS":"16.18803795","Right_Retina_3_POS":"17.11111987","Right_Retina_4_POS":"13.24588284","Right_Retina_5_POS":"25.96978995","Right_Retina_6_POS":"21.63070777"},{"Metabolite":"tolfamide","Left_Retina _1_POS":"7.577446472","Left_Retina_2_POS":"9.135497264","Left_Retina_3_POS":"5.09083035","Left_Retina_4_POS":"4.643044801","Left_Retina_5_POS":"11.77017256","Left_Retina_6_POS":"3.453533009","Right_Retina_1_POS":"10.33882365","Right_Retina_2_POS":"13.03944348","Right_Retina_3_POS":"14.7010853","Right_Retina_4_POS":"8.013448587","Right_Retina_5_POS":"9.088959582","Right_Retina_6_POS":"18.97890401"},{"Metabolite":"1-(beta-D-Ribofuranosyl)-1,3,4,7-tetrahydro-2H-1,3-diazepin-2-one","Left_Retina _1_POS":"0.198339622","Left_Retina_2_POS":"0.492989579","Left_Retina_3_POS":"0.460943156","Left_Retina_4_POS":"215.5216332","Left_Retina_5_POS":"0.433759059","Left_Retina_6_POS":"0.295660349","Right_Retina_1_POS":"1.286928726","Right_Retina_2_POS":"1.667237926","Right_Retina_3_POS":"7.219896604","Right_Retina_4_POS":"0.907276249","Right_Retina_5_POS":"0.349446806","Right_Retina_6_POS":"0.565813324"},{"Metabolite":"6-Isopropylidene-4,4a-dimethyl-7-oxodecahydro-2-naphthalenyl (2E)-3-(methylsulfanyl)acrylate","Left_Retina _1_POS":"0.991744902","Left_Retina_2_POS":"0.847233014","Left_Retina_3_POS":"0.705791571","Left_Retina_4_POS":"0.142704832","Left_Retina_5_POS":"1.692645096","Left_Retina_6_POS":"0.611712676","Right_Retina_1_POS":"1.395527023","Right_Retina_2_POS":"1.699871568","Right_Retina_3_POS":"1.817187088","Right_Retina_4_POS":"1.469469573","Right_Retina_5_POS":"1.196091672","Right_Retina_6_POS":"2.401890018"},{"Metabolite":"N-Acetyl-L-methionine","Left_Retina _1_POS":"10.46990292","Left_Retina_2_POS":"12.09741898","Left_Retina_3_POS":"7.412442721","Left_Retina_4_POS":"5.193456633","Left_Retina_5_POS":"12.59053242","Left_Retina_6_POS":"6.012733864","Right_Retina_1_POS":"7.515455244","Right_Retina_2_POS":"16.86414463","Right_Retina_3_POS":"22.61930241","Right_Retina_4_POS":"10.48763564","Right_Retina_5_POS":"15.66230851","Right_Retina_6_POS":"23.01840949"},{"Metabolite":"Kanosamine","Left_Retina _1_POS":"0.316589226","Left_Retina_2_POS":"0.230445756","Left_Retina_3_POS":"0.309417041","Left_Retina_4_POS":"0.091690042","Left_Retina_5_POS":"0.240034935","Left_Retina_6_POS":"0.197382686","Right_Retina_1_POS":"0.383449212","Right_Retina_2_POS":"0.443421532","Right_Retina_3_POS":"0.380860245","Right_Retina_4_POS":"0.18535823","Right_Retina_5_POS":"0.280120673","Right_Retina_6_POS":"0.263287102"},{"Metabolite":"N-Methylphenylethanolamine","Left_Retina _1_POS":"0.008793035","Left_Retina_2_POS":"0.010796004","Left_Retina_3_POS":"0.01711064","Left_Retina_4_POS":"0.010133608","Left_Retina_5_POS":"0.017752201","Left_Retina_6_POS":"0.003303781","Right_Retina_1_POS":"0.034873235","Right_Retina_2_POS":"0.023429215","Right_Retina_3_POS":"0.032669272","Right_Retina_4_POS":"0.014779971","Right_Retina_5_POS":"0.034816317","Right_Retina_6_POS":"0.012489373"},{"Metabolite":"2-[(3S)-1-(Cyclohexylmethyl)-3-pyrrolidinyl]-5-(1-methyl-1H-imidazol-5-yl)-1,3,4-oxadiazole","Left_Retina _1_POS":"1.284029235","Left_Retina_2_POS":"1.279112803","Left_Retina_3_POS":"1.594793501","Left_Retina_4_POS":"1.534424853","Left_Retina_5_POS":"1.627743364","Left_Retina_6_POS":"1.393685265","Right_Retina_1_POS":"1.888942665","Right_Retina_2_POS":"1.659007273","Right_Retina_3_POS":"1.444591325","Right_Retina_4_POS":"1.275612205","Right_Retina_5_POS":"1.680785019","Right_Retina_6_POS":"1.598159547"},{"Metabolite":"N2-neopentyl-5-methyl-1,3,4-thiadiazol-2-amine","Left_Retina _1_POS":"0.020733705","Left_Retina_2_POS":"0.019330898","Left_Retina_3_POS":"0.035106086","Left_Retina_4_POS":"0.01423787","Left_Retina_5_POS":"0.013474286","Left_Retina_6_POS":"0.012820865","Right_Retina_1_POS":"0.045268786","Right_Retina_2_POS":"0.039372605","Right_Retina_3_POS":"0.041656108","Right_Retina_4_POS":"0.012864388","Right_Retina_5_POS":"0.020582641","Right_Retina_6_POS":"0.018211171"},{"Metabolite":"4-Methyl-5-thiazoleethanol","Left_Retina _1_POS":"18.05576373","Left_Retina_2_POS":"16.79040533","Left_Retina_3_POS":"30.5133055","Left_Retina_4_POS":"21.58816824","Left_Retina_5_POS":"30.87634838","Left_Retina_6_POS":"8.580345094","Right_Retina_1_POS":"63.73972289","Right_Retina_2_POS":"47.36710227","Right_Retina_3_POS":"62.56991347","Right_Retina_4_POS":"34.22767873","Right_Retina_5_POS":"73.10186655","Right_Retina_6_POS":"26.64990248"},{"Metabolite":"Heliotrine","Left_Retina _1_POS":"0.00127303","Left_Retina_2_POS":"0.003725688","Left_Retina_3_POS":"0.404060679","Left_Retina_4_POS":"0.011764199","Left_Retina_5_POS":"0.001942145","Left_Retina_6_POS":"0.007241758","Right_Retina_1_POS":"0.009479996","Right_Retina_2_POS":"0.001454728","Right_Retina_3_POS":"0.001908693","Right_Retina_4_POS":"0.002642768","Right_Retina_5_POS":"0.002144573","Right_Retina_6_POS":"0.002487927"},{"Metabolite":"THTA","Left_Retina _1_POS":"0.141202897","Left_Retina_2_POS":"0.173457871","Left_Retina_3_POS":"0.190135615","Left_Retina_4_POS":"0.126718494","Left_Retina_5_POS":"0.164899455","Left_Retina_6_POS":"0.12400138","Right_Retina_1_POS":"0.123078371","Right_Retina_2_POS":"0.219111542","Right_Retina_3_POS":"0.247421031","Right_Retina_4_POS":"0.136664053","Right_Retina_5_POS":"0.254835103","Right_Retina_6_POS":"0.312846199"},{"Metabolite":"D-Phenylalanine","Left_Retina _1_POS":"58.74892612","Left_Retina_2_POS":"53.06355455","Left_Retina_3_POS":"56.4241344","Left_Retina_4_POS":"32.75338609","Left_Retina_5_POS":"4.38952858","Left_Retina_6_POS":"5.312487513","Right_Retina_1_POS":"28.77951036","Right_Retina_2_POS":"76.44377287","Right_Retina_3_POS":"81.31081275","Right_Retina_4_POS":"59.12780833","Right_Retina_5_POS":"84.98334194","Right_Retina_6_POS":"89.80329464"},{"Metabolite":"Urocanic acid","Left_Retina _1_POS":"0.543820276","Left_Retina_2_POS":"0.165269521","Left_Retina_3_POS":"13.31565966","Left_Retina_4_POS":"0.387660337","Left_Retina_5_POS":"0.60424642","Left_Retina_6_POS":"0.159357696","Right_Retina_1_POS":"0.553247208","Right_Retina_2_POS":"0.453439906","Right_Retina_3_POS":"0.312204918","Right_Retina_4_POS":"0.307093081","Right_Retina_5_POS":"0.29053102","Right_Retina_6_POS":"0.140039595"},{"Metabolite":"Bethanidine","Left_Retina _1_POS":"0.052404012","Left_Retina_2_POS":"0.044970442","Left_Retina_3_POS":"0.049121712","Left_Retina_4_POS":"0.08259076","Left_Retina_5_POS":"0.051885737","Left_Retina_6_POS":"0.042726596","Right_Retina_1_POS":"0.511123357","Right_Retina_2_POS":"0.262122065","Right_Retina_3_POS":"0.070022108","Right_Retina_4_POS":"0.110709631","Right_Retina_5_POS":"0.135391856","Right_Retina_6_POS":"0.079409528"},{"Metabolite":"2-[(3S)-1-Benzyl-3-pyrrolidinyl]-1,3-benzothiazole","Left_Retina _1_POS":"0.155719301","Left_Retina_2_POS":"0.189927761","Left_Retina_3_POS":"0.254427246","Left_Retina_4_POS":"0.321044738","Left_Retina_5_POS":"0.348962465","Left_Retina_6_POS":"0.289604089","Right_Retina_1_POS":"0.27528654","Right_Retina_2_POS":"0.311992848","Right_Retina_3_POS":"0.386133764","Right_Retina_4_POS":"0.330504328","Right_Retina_5_POS":"0.51427431","Right_Retina_6_POS":"0.401201848"},{"Metabolite":"3-Dehydroxycarnitine","Left_Retina _1_POS":"0.363452467","Left_Retina_2_POS":"0.462846933","Left_Retina_3_POS":"0.402752636","Left_Retina_4_POS":"0.183669195","Left_Retina_5_POS":"0.318997246","Left_Retina_6_POS":"0.328388281","Right_Retina_1_POS":"0.515321163","Right_Retina_2_POS":"0.537860968","Right_Retina_3_POS":"0.860663725","Right_Retina_4_POS":"0.258908807","Right_Retina_5_POS":"0.705287381","Right_Retina_6_POS":"0.851256932"},{"Metabolite":"8-Amino-7-oxononanoate","Left_Retina 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_1_POS":"0.028842221","Left_Retina_2_POS":"0.021807403","Left_Retina_3_POS":"0.063487507","Left_Retina_4_POS":"0.026504705","Left_Retina_5_POS":"0.034107419","Left_Retina_6_POS":"0.027487028","Right_Retina_1_POS":"0.036211547","Right_Retina_2_POS":"0.041240826","Right_Retina_3_POS":"0.03385652","Right_Retina_4_POS":"0.036661972","Right_Retina_5_POS":"0.040308594","Right_Retina_6_POS":"0.033381081"},{"Metabolite":"4-Methoxyaniline","Left_Retina _1_POS":"0.011549511","Left_Retina_2_POS":"0.012708945","Left_Retina_3_POS":"0.015224035","Left_Retina_4_POS":"0.014898653","Left_Retina_5_POS":"0.019577365","Left_Retina_6_POS":"0.011254722","Right_Retina_1_POS":"0.017768178","Right_Retina_2_POS":"0.017218719","Right_Retina_3_POS":"0.021653876","Right_Retina_4_POS":"0.017003729","Right_Retina_5_POS":"0.026057956","Right_Retina_6_POS":"0.012271012"},{"Metabolite":"N-Acetylhistamine","Left_Retina _1_POS":"0.043412449","Left_Retina_2_POS":"0.019724675","Left_Retina_3_POS":"0.062699271","Left_Retina_4_POS":"0.01729303","Left_Retina_5_POS":"0.021624162","Left_Retina_6_POS":"0.015537987","Right_Retina_1_POS":"0.052452807","Right_Retina_2_POS":"0.055558566","Right_Retina_3_POS":"0.06153918","Right_Retina_4_POS":"0.014837195","Right_Retina_5_POS":"0.019277561","Right_Retina_6_POS":"0.012423333"},{"Metabolite":"apronalide","Left_Retina _1_POS":"0.001895317","Left_Retina_2_POS":"0.002289642","Left_Retina_3_POS":"0.002624246","Left_Retina_4_POS":"0.001526269","Left_Retina_5_POS":"0.002599179","Left_Retina_6_POS":"0.003942067","Right_Retina_1_POS":"0.003643765","Right_Retina_2_POS":"0.002310869","Right_Retina_3_POS":"0.002338088","Right_Retina_4_POS":"0.00251044","Right_Retina_5_POS":"0.004152773","Right_Retina_6_POS":"0.004948843"},{"Metabolite":"Asp-lys","Left_Retina _1_POS":"0.018789656","Left_Retina_2_POS":"0.021007419","Left_Retina_3_POS":"0.017768865","Left_Retina_4_POS":"0.003583502","Left_Retina_5_POS":"0.010432328","Left_Retina_6_POS":"0.015184407","Right_Retina_1_POS":"0.004136459","Right_Retina_2_POS":"0.024949716","Right_Retina_3_POS":"0.004731358","Right_Retina_4_POS":"0.019029244","Right_Retina_5_POS":"0.024669146","Right_Retina_6_POS":"0.042115263"},{"Metabolite":"5-Hydroxykynurenamine","Left_Retina _1_POS":"0.002325649","Left_Retina_2_POS":"0.002312401","Left_Retina_3_POS":"0.002190292","Left_Retina_4_POS":"0.002286348","Left_Retina_5_POS":"0.002542997","Left_Retina_6_POS":"0.002604613","Right_Retina_1_POS":"0.00218268","Right_Retina_2_POS":"0.001859024","Right_Retina_3_POS":"0.001878947","Right_Retina_4_POS":"0.001256403","Right_Retina_5_POS":"0.003447138","Right_Retina_6_POS":"0.002399442"},{"Metabolite":"1-(4-Hydroxyphenyl)-2-aminoethanol","Left_Retina _1_POS":"0.007676804","Left_Retina_2_POS":"0.011276743","Left_Retina_3_POS":"0.007833511","Left_Retina_4_POS":"0.001431891","Left_Retina_5_POS":"0.006696176","Left_Retina_6_POS":"0.008845291","Right_Retina_1_POS":"0.001987911","Right_Retina_2_POS":"0.011850659","Right_Retina_3_POS":"0.015541192","Right_Retina_4_POS":"0.00805479","Right_Retina_5_POS":"0.015167673","Right_Retina_6_POS":"0.017980411"},{"Metabolite":"Carbocysteine","Left_Retina _1_POS":"0.010384342","Left_Retina_2_POS":"0.540470844","Left_Retina_3_POS":"0.026092946","Left_Retina_4_POS":"0.568189723","Left_Retina_5_POS":"0.050297964","Left_Retina_6_POS":"0.023537433","Right_Retina_1_POS":"1.541983131","Right_Retina_2_POS":"0.034858134","Right_Retina_3_POS":"0.037051951","Right_Retina_4_POS":"0.032280166","Right_Retina_5_POS":"0.037308934","Right_Retina_6_POS":"0.050991495"},{"Metabolite":"4-(Nitrosoamino)-1-(3-pyridinyl)-1-butanol","Left_Retina _1_POS":"0.018559479","Left_Retina_2_POS":"0.018091457","Left_Retina_3_POS":"0.018881953","Left_Retina_4_POS":"0.016340408","Left_Retina_5_POS":"0.036455887","Left_Retina_6_POS":"0.022702211","Right_Retina_1_POS":"0.035692226","Right_Retina_2_POS":"0.022607764","Right_Retina_3_POS":"0.023593191","Right_Retina_4_POS":"0.02030083","Right_Retina_5_POS":"0.065600507","Right_Retina_6_POS":"0.032726559"},{"Metabolite":"Pilocarpine","Left_Retina _1_POS":"0.064120363","Left_Retina_2_POS":"0.052615894","Left_Retina_3_POS":"0.076910643","Left_Retina_4_POS":"0.063691015","Left_Retina_5_POS":"0.084087453","Left_Retina_6_POS":"0.067036642","Right_Retina_1_POS":"0.085653915","Right_Retina_2_POS":"0.075152546","Right_Retina_3_POS":"0.099048832","Right_Retina_4_POS":"0.068186638","Right_Retina_5_POS":"0.103246096","Right_Retina_6_POS":"0.087793621"},{"Metabolite":"Cytosine","Left_Retina _1_POS":"2.219774015","Left_Retina_2_POS":"2.350743156","Left_Retina_3_POS":"2.923185691","Left_Retina_4_POS":"2.118543325","Left_Retina_5_POS":"3.173999315","Left_Retina_6_POS":"2.224807059","Right_Retina_1_POS":"3.774563078","Right_Retina_2_POS":"4.064468216","Right_Retina_3_POS":"4.120865762","Right_Retina_4_POS":"3.166658361","Right_Retina_5_POS":"4.335043532","Right_Retina_6_POS":"3.727514579"},{"Metabolite":"Methionylleucine","Left_Retina _1_POS":"0.022728536","Left_Retina_2_POS":"0.02784858","Left_Retina_3_POS":"0.020377775","Left_Retina_4_POS":"0.006170397","Left_Retina_5_POS":"0.014422749","Left_Retina_6_POS":"0.022744822","Right_Retina_1_POS":"0.009433141","Right_Retina_2_POS":"0.029679514","Right_Retina_3_POS":"0.039080468","Right_Retina_4_POS":"0.024195134","Right_Retina_5_POS":"0.033035251","Right_Retina_6_POS":"0.056021623"},{"Metabolite":"Subaphyllin","Left_Retina _1_POS":"0.025257367","Left_Retina_2_POS":"0.020888601","Left_Retina_3_POS":"0.019945336","Left_Retina_4_POS":"0.004254787","Left_Retina_5_POS":"0.00835288","Left_Retina_6_POS":"0.017447131","Right_Retina_1_POS":"0.005785073","Right_Retina_2_POS":"0.029473536","Right_Retina_3_POS":"0.035738193","Right_Retina_4_POS":"0.016061704","Right_Retina_5_POS":"0.025139322","Right_Retina_6_POS":"0.036801611"},{"Metabolite":"Biopterin","Left_Retina _1_POS":"2.3485714","Left_Retina_2_POS":"1.052540479","Left_Retina_3_POS":"1.828054078","Left_Retina_4_POS":"0.891320131","Left_Retina_5_POS":"0.986224656","Left_Retina_6_POS":"0.942280586","Right_Retina_1_POS":"1.749725655","Right_Retina_2_POS":"3.140012647","Right_Retina_3_POS":"1.955470507","Right_Retina_4_POS":"0.621858448","Right_Retina_5_POS":"0.984709369","Right_Retina_6_POS":"1.006051822"},{"Metabolite":"(+/-)-5-[(tert-Butylamino)-2'-hydroxypropoxy]-3_4-dihydro-1(2H)-naphthalenone","Left_Retina _1_POS":"0.009298362","Left_Retina_2_POS":"0.009158038","Left_Retina_3_POS":"0.008218343","Left_Retina_4_POS":"0.012377916","Left_Retina_5_POS":"0.008595059","Left_Retina_6_POS":"0.007272012","Right_Retina_1_POS":"0.013977206","Right_Retina_2_POS":"0.009423622","Right_Retina_3_POS":"0.013419294","Right_Retina_4_POS":"0.006987939","Right_Retina_5_POS":"0.009020411","Right_Retina_6_POS":"0.012185027"},{"Metabolite":"acetyltaurine","Left_Retina _1_POS":"0.170900315","Left_Retina_2_POS":"0.225491536","Left_Retina_3_POS":"0.198052732","Left_Retina_4_POS":"0.219286239","Left_Retina_5_POS":"0.292263625","Left_Retina_6_POS":"0.188905698","Right_Retina_1_POS":"0.194642759","Right_Retina_2_POS":"0.255959324","Right_Retina_3_POS":"0.225941889","Right_Retina_4_POS":"0.282280683","Right_Retina_5_POS":"0.480227207","Right_Retina_6_POS":"0.266105429"},{"Metabolite":"[Similar to: 6-formyl-10-(hydroxymethyl)-3-methylidene-2-oxo-2H,3H,3aH,4H,5H,8H,9H,11aH-cyclodeca[b]furan-4-yl 3-methylbutanoate; ?Mass: 122.1780 Da]","Left_Retina _1_POS":"0.056784561","Left_Retina_2_POS":"0.066899459","Left_Retina_3_POS":"0.044805303","Left_Retina_4_POS":"0.076903615","Left_Retina_5_POS":"0.05659177","Left_Retina_6_POS":"0.053772863","Right_Retina_1_POS":"0.079854034","Right_Retina_2_POS":"0.055015421","Right_Retina_3_POS":"0.066082984","Right_Retina_4_POS":"0.046696237","Right_Retina_5_POS":"0.056625079","Right_Retina_6_POS":"0.050963784"},{"Metabolite":"Naphthalen-2-amine","Left_Retina _1_POS":"0.027201026","Left_Retina_2_POS":"0.017470565","Left_Retina_3_POS":"0.023814517","Left_Retina_4_POS":"0.014941097","Left_Retina_5_POS":"0.02013231","Left_Retina_6_POS":"0.015370323","Right_Retina_1_POS":"0.023385025","Right_Retina_2_POS":"0.027233941","Right_Retina_3_POS":"0.025634521","Right_Retina_4_POS":"0.01422014","Right_Retina_5_POS":"0.026287034","Right_Retina_6_POS":"0.026362409"},{"Metabolite":"6-Methylindole","Left_Retina _1_POS":"0.040082996","Left_Retina_2_POS":"0.025980651","Left_Retina_3_POS":"0.034517856","Left_Retina_4_POS":"0.020567442","Left_Retina_5_POS":"0.025802516","Left_Retina_6_POS":"0.024138483","Right_Retina_1_POS":"0.033274674","Right_Retina_2_POS":"0.036397482","Right_Retina_3_POS":"0.036121889","Right_Retina_4_POS":"0.018808472","Right_Retina_5_POS":"0.033825383","Right_Retina_6_POS":"0.032916682"},{"Metabolite":"4-Indolecarbaldehyde","Left_Retina _1_POS":"0.068393113","Left_Retina_2_POS":"0.044228574","Left_Retina_3_POS":"0.058747469","Left_Retina_4_POS":"0.033693641","Left_Retina_5_POS":"0.045834147","Left_Retina_6_POS":"0.043185651","Right_Retina_1_POS":"0.058797593","Right_Retina_2_POS":"0.066302098","Right_Retina_3_POS":"0.069520004","Right_Retina_4_POS":"0.03718113","Right_Retina_5_POS":"0.065154895","Right_Retina_6_POS":"0.063573548"},{"Metabolite":"2,3-Dimethylquinoxaline","Left_Retina _1_POS":"0.138057378","Left_Retina_2_POS":"0.09463843","Left_Retina_3_POS":"0.133171999","Left_Retina_4_POS":"0.073143024","Left_Retina_5_POS":"0.100140162","Left_Retina_6_POS":"0.095434926","Right_Retina_1_POS":"0.126084532","Right_Retina_2_POS":"0.141326216","Right_Retina_3_POS":"0.15012646","Right_Retina_4_POS":"0.074476924","Right_Retina_5_POS":"0.140463681","Right_Retina_6_POS":"0.126727792"},{"Metabolite":"D-(+)-Tryptophan","Left_Retina _1_POS":"4.189613296","Left_Retina_2_POS":"2.679004634","Left_Retina_3_POS":"3.657019665","Left_Retina_4_POS":"2.158416207","Left_Retina_5_POS":"2.761018407","Left_Retina_6_POS":"2.558156575","Right_Retina_1_POS":"3.54270705","Right_Retina_2_POS":"3.943699032","Right_Retina_3_POS":"3.946100477","Right_Retina_4_POS":"2.063080697","Right_Retina_5_POS":"3.691171585","Right_Retina_6_POS":"3.595183857"},{"Metabolite":"Tauropine","Left_Retina _1_POS":"0.127272457","Left_Retina_2_POS":"0.165202308","Left_Retina_3_POS":"0.161490025","Left_Retina_4_POS":"0.086309224","Left_Retina_5_POS":"0.129106559","Left_Retina_6_POS":"0.144778574","Right_Retina_1_POS":"0.178338897","Right_Retina_2_POS":"0.208695271","Right_Retina_3_POS":"0.212358338","Right_Retina_4_POS":"0.11504791","Right_Retina_5_POS":"0.158597566","Right_Retina_6_POS":"0.17828679"},{"Metabolite":"4-Amino-5-hydroxymethyl-2-methylpyrimidine","Left_Retina _1_POS":"0.249626295","Left_Retina_2_POS":"0.14679439","Left_Retina_3_POS":"0.192771652","Left_Retina_4_POS":"0.266511205","Left_Retina_5_POS":"0.208725999","Left_Retina_6_POS":"0.188854009","Right_Retina_1_POS":"0.270448527","Right_Retina_2_POS":"0.16943101","Right_Retina_3_POS":"0.225551136","Right_Retina_4_POS":"0.214491506","Right_Retina_5_POS":"0.242138269","Right_Retina_6_POS":"0.206613737"},{"Metabolite":"2-Hydroxy-N-(2-hydroxyethyl)propionamide","Left_Retina _1_POS":"0.027500139","Left_Retina_2_POS":"0.031395705","Left_Retina_3_POS":"0.031806367","Left_Retina_4_POS":"0.028615993","Left_Retina_5_POS":"0.053139758","Left_Retina_6_POS":"0.033343511","Right_Retina_1_POS":"0.043071043","Right_Retina_2_POS":"0.039210408","Right_Retina_3_POS":"0.051870381","Right_Retina_4_POS":"0.045588846","Right_Retina_5_POS":"0.080651358","Right_Retina_6_POS":"0.056161484"},{"Metabolite":"[Similar to: DL-Dipalmitoylphosphatidylcholine; ?Mass: 133.9827 Da]","Left_Retina _1_POS":"0.006723353","Left_Retina_2_POS":"0.006566722","Left_Retina_3_POS":"0.008613555","Left_Retina_4_POS":"0.00967104","Left_Retina_5_POS":"0.01084581","Left_Retina_6_POS":"0.005579428","Right_Retina_1_POS":"0.008686638","Right_Retina_2_POS":"0.007048601","Right_Retina_3_POS":"0.009248216","Right_Retina_4_POS":"0.00716406","Right_Retina_5_POS":"0.007281197","Right_Retina_6_POS":"0.006991689"},{"Metabolite":"[Similar to: DL-Dipalmitoylphosphatidylcholine; ?Mass: 131.9854 Da]","Left_Retina _1_POS":"0.023408013","Left_Retina_2_POS":"0.024865742","Left_Retina_3_POS":"0.019592017","Left_Retina_4_POS":"0.026379904","Left_Retina_5_POS":"0.025417614","Left_Retina_6_POS":"0.02144836","Right_Retina_1_POS":"0.015020095","Right_Retina_2_POS":"0.008346528","Right_Retina_3_POS":"0.024516311","Right_Retina_4_POS":"0.021460384","Right_Retina_5_POS":"0.026415218","Right_Retina_6_POS":"0.023548112"},{"Metabolite":"S-OXY CYSTEINE","Left_Retina _1_POS":"0.00083383","Left_Retina_2_POS":"0.011277953","Left_Retina_3_POS":"0.030959726","Left_Retina_4_POS":"0.007394184","Left_Retina_5_POS":"0.006915401","Left_Retina_6_POS":"0.011931609","Right_Retina_1_POS":"0.052237746","Right_Retina_2_POS":"0.063713223","Right_Retina_3_POS":"0.06215734","Right_Retina_4_POS":"0.00334077","Right_Retina_5_POS":"0.006934365","Right_Retina_6_POS":"0.004281676"},{"Metabolite":"[Similar to: 3-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-3,4-dihydro-2H-1-benzopyran-3-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-one; ?Mass: -57.7704 Da]","Left_Retina _1_POS":"0.107792801","Left_Retina_2_POS":"0.106135497","Left_Retina_3_POS":"0.122668961","Left_Retina_4_POS":"0.13552353","Left_Retina_5_POS":"0.113385793","Left_Retina_6_POS":"0.097240017","Right_Retina_1_POS":"0.198614204","Right_Retina_2_POS":"0.141559741","Right_Retina_3_POS":"0.144331633","Right_Retina_4_POS":"0.11217763","Right_Retina_5_POS":"0.141598838","Right_Retina_6_POS":"0.107062944"},{"Metabolite":"DL-Tryptophan","Left_Retina _1_POS":"0.105337666","Left_Retina_2_POS":"0.048160276","Left_Retina_3_POS":"0.069211991","Left_Retina_4_POS":"0.039503547","Left_Retina_5_POS":"0.041611658","Left_Retina_6_POS":"0.04551692","Right_Retina_1_POS":"0.055912544","Right_Retina_2_POS":"0.061541698","Right_Retina_3_POS":"0.048279883","Right_Retina_4_POS":"0.027630653","Right_Retina_5_POS":"0.065855228","Right_Retina_6_POS":"0.075584125"},{"Metabolite":"ethyl 2-amino-8H-indeno[2,1-b]thiophene-3-carboxylate","Left_Retina _1_POS":"0.050229988","Left_Retina_2_POS":"0.016508308","Left_Retina_3_POS":"0.037167496","Left_Retina_4_POS":"0.022204976","Left_Retina_5_POS":"0.01380546","Left_Retina_6_POS":"0.020204714","Right_Retina_1_POS":"0.035772947","Right_Retina_2_POS":"0.040620871","Right_Retina_3_POS":"0.015880408","Right_Retina_4_POS":"0.008561738","Right_Retina_5_POS":"0.01321729","Right_Retina_6_POS":"0.020779114"},{"Metabolite":"trans-3-Indoleacrylic acid","Left_Retina _1_POS":"5.979959333","Left_Retina_2_POS":"5.056118079","Left_Retina_3_POS":"6.694254463","Left_Retina_4_POS":"3.616979256","Left_Retina_5_POS":"4.853778218","Left_Retina_6_POS":"4.00680509","Right_Retina_1_POS":"6.770096041","Right_Retina_2_POS":"7.790706565","Right_Retina_3_POS":"8.781842122","Right_Retina_4_POS":"4.477113541","Right_Retina_5_POS":"7.82915464","Right_Retina_6_POS":"6.439590909"},{"Metabolite":"Dezaguanine","Left_Retina _1_POS":"0.020118229","Left_Retina_2_POS":"0.009664906","Left_Retina_3_POS":"0.024355","Left_Retina_4_POS":"0.00558093","Left_Retina_5_POS":"0.00599663","Left_Retina_6_POS":"0.007072853","Right_Retina_1_POS":"0.025097155","Right_Retina_2_POS":"0.027655897","Right_Retina_3_POS":"0.0252953","Right_Retina_4_POS":"0.004411109","Right_Retina_5_POS":"0.004107493","Right_Retina_6_POS":"0.006899045"},{"Metabolite":"Trigonelline","Left_Retina _1_POS":"1.542257363","Left_Retina_2_POS":"1.599389375","Left_Retina_3_POS":"1.82551239","Left_Retina_4_POS":"2.367592593","Left_Retina_5_POS":"6.124861137","Left_Retina_6_POS":"2.836780075","Right_Retina_1_POS":"3.014916148","Right_Retina_2_POS":"2.543874089","Right_Retina_3_POS":"4.171952038","Right_Retina_4_POS":"3.096033169","Right_Retina_5_POS":"13.22911281","Right_Retina_6_POS":"4.416992745"},{"Metabolite":"Alphaprodine","Left_Retina _1_POS":"0.036028562","Left_Retina_2_POS":"0.016977873","Left_Retina_3_POS":"0.026254005","Left_Retina_4_POS":"0.00782984","Left_Retina_5_POS":"0.014310359","Left_Retina_6_POS":"0.012719843","Right_Retina_1_POS":"0.056504545","Right_Retina_2_POS":"0.016071659","Right_Retina_3_POS":"0.035691862","Right_Retina_4_POS":"0.009099965","Right_Retina_5_POS":"0.030318435","Right_Retina_6_POS":"0.019596148"},{"Metabolite":"DL-Phenylalanine-6C13","Left_Retina _1_POS":"25","Left_Retina_2_POS":"25","Left_Retina_3_POS":"25","Left_Retina_4_POS":"25","Left_Retina_5_POS":"25","Left_Retina_6_POS":"25","Right_Retina_1_POS":"25","Right_Retina_2_POS":"25","Right_Retina_3_POS":"25","Right_Retina_4_POS":"25","Right_Retina_5_POS":"25","Right_Retina_6_POS":"25"},{"Metabolite":"Benzene","Left_Retina _1_POS":"0.004997857","Left_Retina_2_POS":"0.003799903","Left_Retina_3_POS":"0.004941965","Left_Retina_4_POS":"0.005263191","Left_Retina_5_POS":"0.005900751","Left_Retina_6_POS":"0.00652963","Right_Retina_1_POS":"0.005132522","Right_Retina_2_POS":"0.00589547","Right_Retina_3_POS":"0.005127974","Right_Retina_4_POS":"0.003778434","Right_Retina_5_POS":"0.003721357","Right_Retina_6_POS":"0.004680216"},{"Metabolite":"3-Methylhistamine","Left_Retina _1_POS":"9.236813227","Left_Retina_2_POS":"9.356024284","Left_Retina_3_POS":"9.368687115","Left_Retina_4_POS":"9.427764168","Left_Retina_5_POS":"9.436212336","Left_Retina_6_POS":"9.450082715","Right_Retina_1_POS":"9.285896271","Right_Retina_2_POS":"9.328050263","Right_Retina_3_POS":"9.361013952","Right_Retina_4_POS":"9.40889831","Right_Retina_5_POS":"9.361981329","Right_Retina_6_POS":"9.364738308"},{"Metabolite":"1-phenylpropane-1_2-dione","Left_Retina _1_POS":"1.788584648","Left_Retina_2_POS":"2.37936269","Left_Retina_3_POS":"3.046009309","Left_Retina_4_POS":"1.457130787","Left_Retina_5_POS":"2.090693096","Left_Retina_6_POS":"1.447223296","Right_Retina_1_POS":"3.230442774","Right_Retina_2_POS":"3.858178467","Right_Retina_3_POS":"4.84979293","Right_Retina_4_POS":"2.416317023","Right_Retina_5_POS":"4.141898451","Right_Retina_6_POS":"2.841598044"},{"Metabolite":"EGTA","Left_Retina 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[min]":"4.114","Area (Max.)":"1216771.948"},{"Metabolite":"(2S,3R)-3-[(2-Nitro-1H-imidazol-1-yl)methoxy]-1,2,4-butanetriol","Formula":"C8 H13 N3 O6","Calc MW":"247.0802","m/z":"248.08748","RT [min]":"7.502","Area (Max.)":"1449852.232"},{"Metabolite":"(2Z)-3-Phenyl-1-(1-pyrrolidinyl)-2-propen-1-one","Formula":"C13 H15 N O","Calc MW":"201.11527","m/z":"202.12255","RT [min]":"0.971","Area (Max.)":"11290570.64"},{"Metabolite":"(3R)-beta-Leucine","Formula":"C6 H13 N O2","Calc MW":"131.094668","m/z":"132.101944","RT [min]":"4.012","Area (Max.)":"1309408632"},{"Metabolite":"(3S)-3-(Pentanoyloxy)-4-(trimethylammonio)butanoate","Formula":"C12 H23 N O4","Calc MW":"245.16243","m/z":"246.16971","RT [min]":"0.674","Area (Max.)":"10444091.71"},{"Metabolite":"(3S)-3-{(Z)-[(3S)-3-{(Z)-[(3R)-3-Amino-1-hydroxy-4-methylpentylidene]amino}-1-hydroxybutylidene]amino}-5-methylhexanoic acid","Formula":"C17 H33 N3 O4","Calc MW":"343.24686","m/z":"344.25414","RT [min]":"3.85","Area (Max.)":"2365151.636"},{"Metabolite":"(4-amino-1,2,5-oxadiazol-3-yl)(1-pyrrolidinyl)methanone oxime","Formula":"C7 H11 N5 O2","Calc MW":"197.09025","m/z":"198.09753","RT [min]":"0.8","Area (Max.)":"10499784768"},{"Metabolite":"(4aR,5R,6R)-6-hydroxy-4a,5-dimethyl-3-(prop-1-en-2-yl)-2,4a,5,6,7,8-hexahydronaphthalen-2-one","Formula":"C15 H20 O2","Calc MW":"193.618405","m/z":"194.62571","RT [min]":"6.353","Area (Max.)":"32078861.57"},{"Metabolite":"(4E)-2-Oxohexenoicacid","Formula":"C6 H8 O3","Calc MW":"128.04739","m/z":"129.05473","RT [min]":"0.937","Area (Max.)":"4185876.147"},{"Metabolite":"(4S)-4-[(11-Carboxyundecanoyl)oxy]-4-(trimethylammonio)butanoate","Formula":"C19 H35 N O6","Calc MW":"373.24585","m/z":"396.23506","RT [min]":"4.119","Area (Max.)":"14123587.19"},{"Metabolite":"(4S)-4-[(2E)-2-Octenoyloxy]-4-(trimethylammonio)butanoate","Formula":"C15 H27 N O4","Calc MW":"285.19373","m/z":"286.20101","RT [min]":"3.654","Area (Max.)":"3197756.67"},{"Metabolite":"(5alpha,6alpha)-3-Methoxy-17-methyl-4,5-epoxymorphinan-6,14-diol","Formula":"C18 H23 N O4","Calc MW":"317.16214","m/z":"300.15871","RT [min]":"0.66","Area (Max.)":"11036236.08"},{"Metabolite":"(5Z,8Z)-5,8-Tetradecadienoic acid","Formula":"C14 H24 O2","Calc MW":"224.17729","m/z":"225.18456","RT [min]":"0.806","Area (Max.)":"44946293.82"},{"Metabolite":"(cyclohexylmethyl)pyrazine","Formula":"C11 H16 N2","Calc MW":"176.131275","m/z":"185.651835","RT [min]":"2.316","Area (Max.)":"40557500.2"},{"Metabolite":"(E)-4-hydroxyphenylacetaldehydeoxime","Formula":"C8 H9 N O2","Calc MW":"151.06331","m/z":"152.07057","RT [min]":"3.827","Area (Max.)":"5085723.39"},{"Metabolite":"(E)-Nifurtimox","Formula":"C10 H13 N3 O5 S","Calc MW":"287.05733","m/z":"288.0646","RT [min]":"7.126","Area (Max.)":"10700517.65"},{"Metabolite":"(R)-3-Amino-2-methylpropanoate","Formula":"C4 H9 N O2","Calc MW":"103.06372","m/z":"104.07096","RT [min]":"5.852","Area (Max.)":"1011468942"},{"Metabolite":"(R)-3-hydroxybutyrylcarnitine","Formula":"C11 H21 N O5","Calc MW":"247.14176","m/z":"248.14904","RT [min]":"0.891","Area (Max.)":"177953011.1"},{"Metabolite":"(R)-N-Methylcoclaurine","Formula":"C18 H21 N O3","Calc MW":"299.15159","m/z":"300.15886","RT [min]":"0.664","Area (Max.)":"11036236.08"},{"Metabolite":"(S)-2-Acetolactate","Formula":"C5 H8 O4","Calc MW":"132.04225","m/z":"133.04953","RT [min]":"5.533","Area (Max.)":"3333687.842"},{"Metabolite":"(S)-4-Amino-5-oxopentanoate","Formula":"C5 H9 N O3","Calc MW":"131.058245","m/z":"218.107815","RT [min]":"6.44","Area (Max.)":"30309010.06"},{"Metabolite":"(S)-4-Hydroxymandelonitrile","Formula":"C8 H7 N O2","Calc MW":"149.04761","m/z":"160.73029","RT [min]":"0.689","Area (Max.)":"250634432.6"},{"Metabolite":"(S)-Carnitine","Formula":"C7 H15 N O3","Calc MW":"161.10513","m/z":"203.138985","RT [min]":"5.658","Area (Max.)":"17101673.04"},{"Metabolite":"(Z)-N-(6-Amino-2-{(Z)-[(2,3-dihydroxyphenyl)(hydroxy)methylene]amino}-1-hydroxyhexylidene)serine","Formula":"C16 H23 N3 O7","Calc MW":"369.15485","m/z":"370.1623","RT [min]":"5.649","Area (Max.)":"555428.6469"},{"Metabolite":"(Z)-thiofanox","Formula":"C9 H18 N2 O2 S","Calc MW":"218.10949","m/z":"219.11676","RT [min]":"7.09","Area (Max.)":"769082.9389"},{"Metabolite":"[FAamino(5:0)]2S-amino-pentanoicacid","Formula":"C5 H11 N O2","Calc MW":"117.0792067","m/z":"118.0864533","RT [min]":"0.987","Area (Max.)":"12439814937"},{"Metabolite":"[FAamino_oxo(6:0/2:0)]2-amino-3-oxo-hexanedioicacid","Formula":"C6 H9 N O5","Calc MW":"175.04805","m/z":"198.03727","RT [min]":"5.847","Area (Max.)":"6426732.604"},{"Metabolite":"[FAoxo(12:0)]12-oxo-10E-dodecenoicacid","Formula":"C12 H20 O3","Calc MW":"212.14106","m/z":"213.14834","RT [min]":"0.69","Area (Max.)":"7539903.391"},{"Metabolite":"[FAoxo_amino(6:0)]3-oxo-5S-amino-hexanoicacid","Formula":"C6 H11 N O3","Calc MW":"145.073935","m/z":"137.07594","RT [min]":"5.254","Area (Max.)":"11836588.5"},{"Metabolite":"[Similar to: (4-benzoylpiperidino)[4-(tert-butyl)phenyl]methanone; ?Mass: 38.0421 Da]","Formula":"C17 H33 N5 O5","Calc MW":"387.24633","m/z":"388.2536","RT [min]":"1.608","Area (Max.)":"480477766.3"},{"Metabolite":"[Similar to: (4S,6S)-1-Allyl-6-isobutyl-N-[3-(2-oxo-1-pyrrolidinyl)propyl]-3,4,5,6-tetrahydro-1H-azepino[5,4,3-cd]indole-4-carboxamide; ?Mass: -294.1732 Da]","Formula":"C7 H14 N2 O","Calc MW":"142.11061","m/z":"143.11786","RT [min]":"4.793","Area (Max.)":"21117365.93"},{"Metabolite":"[Similar to: 2-[(4-chlorophenyl)sulfonyl]-N,N-dimethylacetamide; ?Mass: 38.1715 Da]","Formula":"C16 H31 N P2","Calc MW":"299.19411","m/z":"300.20137","RT [min]":"1.382","Area (Max.)":"676321546.9"},{"Metabolite":"[Similar to: 3-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-3,4-dihydro-2H-1-benzopyran-3-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-one; ?Mass: -57.7704 Da]","Formula":"C26 H48 N2 O6","Calc MW":"484.3509","m/z":"243.18273","RT [min]":"4.626","Area (Max.)":"38120120.93"},{"Metabolite":"[Similar to: 4-(acetylamino)phenyl 3-chlorobenzoate; ?Mass: 11.1428 Da]","Formula":"C16 H28 O5","Calc MW":"300.19334","m/z":"301.2007","RT [min]":"0.916","Area (Max.)":"11761714.52"},{"Metabolite":"[Similar to: 6-formyl-10-(hydroxymethyl)-3-methylidene-2-oxo-2H,3H,3aH,4H,5H,8H,9H,11aH-cyclodeca[b]furan-4-yl 3-methylbutanoate; ?Mass: 122.1780 Da]","Formula":"C26 H48 N2 O6","Calc MW":"484.35096","m/z":"243.18276","RT [min]":"4.55","Area (Max.)":"14873551.79"},{"Metabolite":"[Similar to: Adenosine 5'-monophosphate; ?Mass: -15.9255 Da]","Formula":"C14 H17 N7 O3","Calc MW":"331.13761","m/z":"349.17152","RT [min]":"7.01","Area (Max.)":"3458202.828"},{"Metabolite":"[Similar to: ARH; ?Mass: -137.0848 Da]","Formula":"C7 H15 N7 O3","Calc MW":"245.12288","m/z":"491.25301","RT [min]":"7.975","Area (Max.)":"1885062.947"},{"Metabolite":"[Similar to: DL-Dipalmitoylphosphatidylcholine; ?Mass: 131.9854 Da]","Formula":"C46 H84 Br N5 O3 S","Calc MW":"865.54756","m/z":"433.78106","RT [min]":"4.596","Area (Max.)":"5210863.198"},{"Metabolite":"[Similar to: DL-Dipalmitoylphosphatidylcholine; ?Mass: 133.9827 Da]","Formula":"C37 H81 N5 O15 S","Calc MW":"867.54484","m/z":"290.18887","RT [min]":"4.592","Area (Max.)":"2161652.678"},{"Metabolite":"[Similar to: Hexanoylcarnitine; ?Mass: -38.1236 Da]","Formula":"C8 H7 N5 O3","Calc MW":"221.05479","m/z":"222.06206","RT [min]":"3.791","Area (Max.)":"3069700.136"},{"Metabolite":"[Similar to: N-Acetylneuraminic acid; ?Mass: 21.9952 Da]","Formula":"C8 H23 N5 O3 P2 S","Calc MW":"331.10118","m/z":"332.10848","RT [min]":"7.499","Area (Max.)":"1437819.612"},{"Metabolite":"[Similar to: N-Acetylneuraminic acid; ?Mass: 22.0317 Da]","Formula":"C15 H26 N O3 P S","Calc MW":"331.13769","m/z":"332.14492","RT [min]":"7.483","Area (Max.)":"933985.4542"},{"Metabolite":"[Similar to: NP-007994; ?Mass: -40.9675 Da]","Formula":"C8 H17 N3 O","Calc MW":"171.13731","m/z":"172.14436","RT [min]":"4.269","Area (Max.)":"1035040.349"},{"Metabolite":"[Similar to: PEG n10; ?Mass: -44.0267 Da]","Formula":"C18 H38 O10","Calc MW":"414.24606","m/z":"432.27989","RT [min]":"0.997","Area (Max.)":"395903384.3"},{"Metabolite":"[Similar to: PEG n7; ?Mass: 17.0262 Da]","Formula":"C17 H34 N3 P S","Calc MW":"343.22028","m/z":"344.22756","RT [min]":"1.491","Area (Max.)":"662911893.7"},{"Metabolite":"1-(2-pyridin-2-yldiazenyl)-2-naphthol","Formula":"C15 H11 N3 O","Calc MW":"249.08601","m/z":"250.09328","RT [min]":"4.785","Area (Max.)":"37605535.65"},{"Metabolite":"1-(4-Amino-4-carboxybutanoyl)-2-piperidinecarboxylic acid","Formula":"C11 H18 N2 O5","Calc MW":"258.12139","m/z":"259.12867","RT [min]":"7.495","Area (Max.)":"2849589.971"},{"Metabolite":"1-(4-Amino-5-hexyn-1-yl)guanidine","Formula":"C7 H14 N4","Calc MW":"154.12178","m/z":"155.12904","RT [min]":"3.828","Area (Max.)":"9063953.676"},{"Metabolite":"1-(4-Hydroxyphenyl)-2-aminoethanol","Formula":"C8 H11 N O2","Calc MW":"153.07938","m/z":"329.14915","RT [min]":"4.38","Area (Max.)":"3356056.426"},{"Metabolite":"1-(beta-D-Ribofuranosyl)-1,2-dihydropyrimidine","Formula":"C9 H14 N2 O4","Calc MW":"214.09522","m/z":"247.12869","RT [min]":"7.041","Area (Max.)":"3243397.449"},{"Metabolite":"1-(beta-D-Ribofuranosyl)-1,3,4,7-tetrahydro-2H-1,3-diazepin-2-one","Formula":"C10 H16 N2 O5","Calc MW":"244.10563","m/z":"245.11291","RT [min]":"2.003","Area (Max.)":"433118013.5"},{"Metabolite":"1,2-dihydroxyheptadec-16-yn-4-yl acetate","Formula":"C19 H34 O4","Calc MW":"326.24527","m/z":"327.25267","RT [min]":"0.659","Area (Max.)":"3730441.791"},{"Metabolite":"1,3,7-Octanetriol","Formula":"C8 H18 O3","Calc MW":"162.12558","m/z":"163.13276","RT [min]":"0.873","Area (Max.)":"108042637.8"},{"Metabolite":"1,3-Dimethyl-6-morpholino-1,2,3,4-tetrahydropyrimidine-2,4-dione","Formula":"C10 H15 N3 O3","Calc MW":"225.1112","m/z":"226.11848","RT [min]":"6.933","Area (Max.)":"69885870.52"},{"Metabolite":"1,3-Dipropylxanthine","Formula":"C11 H16 N4 O2","Calc MW":"236.12704","m/z":"237.13432","RT [min]":"6.147","Area (Max.)":"17667196.03"},{"Metabolite":"1,6-Dihydro-1-(3-methoxyphenethyl)-6-oxonicotinic acid","Formula":"C15 H15 N O4","Calc MW":"273.09975","m/z":"274.10701","RT [min]":"0.952","Area (Max.)":"7832126.076"},{"Metabolite":"1-[(3-Carboxypropyl)amino]-1-deoxy-beta-D-fructofuranose","Formula":"C10 H19 N O7","Calc MW":"265.115975","m/z":"257.11799","RT [min]":"7.199","Area (Max.)":"14025375.67"},{"Metabolite":"1-[1-(1-Benzothiophen-2-yl)ethyl]urea","Formula":"C11 H12 N2 O S","Calc MW":"220.06689","m/z":"221.07416","RT [min]":"0.867","Area (Max.)":"24391092.07"},{"Metabolite":"1-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-2-$l^{1}-selanyl-5-(methylaminomethyl)pyrimidin-4-one","Formula":"C11 H16 N3 O5 Se","Calc MW":"350.02572","m/z":"351.03302","RT [min]":"6.822","Area (Max.)":"1018265.848"},{"Metabolite":"1-[5-Nitro-2-(1-pyrrolidinyl)benzyl]-1H-imidazole","Formula":"C14 H16 N4 O2","Calc MW":"294.11478","m/z":"295.12206","RT [min]":"3.726","Area (Max.)":"1236599495"},{"Metabolite":"1_2-Diaminobenzene","Formula":"C6 H8 N2","Calc MW":"108.0688767","m/z":"119.7516267","RT [min]":"3.962","Area (Max.)":"62208579.86"},{"Metabolite":"1_3_5-trimethoxybenzene","Formula":"C9 H12 O3","Calc MW":"168.07856","m/z":"169.08585","RT [min]":"0.768","Area (Max.)":"29098939.25"},{"Metabolite":"1_4-Diaminobutane;Putrescine","Formula":"C4 H12 N2","Calc MW":"88.09975","m/z":"89.10702","RT [min]":"5.193","Area (Max.)":"1522297.756"},{"Metabolite":"1_4-Lactone","Formula":"C4 H6 O2","Calc MW":"86.037155","m/z":"95.5578","RT [min]":"5.85","Area (Max.)":"254871862.1"},{"Metabolite":"1_5-Anhydro-D-mannitol","Formula":"C6 H12 O5","Calc MW":"164.06842","m/z":"165.07573","RT [min]":"5.653","Area (Max.)":"15863489.98"},{"Metabolite":"1_6_6-Trimethyl-2_7-dioxabicyclo[3.2.2]nonan-3-one","Formula":"C10 H16 O3","Calc MW":"184.11077","m/z":"432.23769","RT [min]":"0.71","Area (Max.)":"78471465.62"},{"Metabolite":"1-{4-[(3S)-3-(1-Methyl-1H-benzimidazol-2-yl)-1-pyrrolidinyl]-1-piperidinyl}ethanone","Formula":"C19 H26 N4 O","Calc MW":"294.18287","m/z":"295.19012","RT [min]":"0.728","Area (Max.)":"6946091.964"},{"Metabolite":"10-Nitrolinoleate","Formula":"C18 H31 N O4","Calc MW":"325.22488","m/z":"326.23216","RT [min]":"3.414","Area (Max.)":"142940716.9"},{"Metabolite":"11-Aminoundecanoic acid","Formula":"C11 H23 N O2","Calc MW":"201.17274","m/z":"202.18001","RT [min]":"3.941","Area (Max.)":"562260726"},{"Metabolite":"12H-benzo[5,6][1,4]oxazino[2,3-b]quinoxaline","Formula":"C14 H9 N3 O","Calc MW":"235.07031","m/z":"236.077595","RT [min]":"2.458","Area (Max.)":"108355984.7"},{"Metabolite":"13,14-dihydro-15-keto-tetranor Prostaglandin F1?","Formula":"C16 H28 O5","Calc MW":"300.19329","m/z":"318.2272","RT [min]":"0.778","Area (Max.)":"68217338.43"},{"Metabolite":"1-Amino-1-deoxy-scyllo-inositol","Formula":"C6 H13 N O5","Calc MW":"179.079565","m/z":"188.600085","RT [min]":"3.628","Area (Max.)":"85344120.68"},{"Metabolite":"1-Amino-1-deoxy-scyllo-inositol4-phosphate","Formula":"C6 H14 N O8 P","Calc MW":"259.04551","m/z":"260.05279","RT [min]":"7.674","Area (Max.)":"3767037.967"},{"Metabolite":"1-aminobutylphosphonic acid","Formula":"C4 H12 N O3 P","Calc MW":"153.05601","m/z":"154.06331","RT [min]":"4.179","Area (Max.)":"7214231.221"},{"Metabolite":"1-Aminocyclopropane-1-carboxylate","Formula":"C4 H7 N O2","Calc MW":"101.04797","m/z":"107.3929933","RT [min]":"4.091","Area (Max.)":"170778603.2"},{"Metabolite":"1-Cyclohexenecarboxylic Acid","Formula":"C7 H10 O2","Calc MW":"126.06797","m/z":"168.10179","RT [min]":"3.33","Area (Max.)":"271057436.4"},{"Metabolite":"1D-1-Guanidino-1-deoxy-3-dehydro-scyllo-inositol","Formula":"C7 H13 N3 O5","Calc 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(Max.)":"27050207.04"},{"Metabolite":"1-Methylxanthine","Formula":"C6 H6 N4 O2","Calc MW":"166.04913","m/z":"167.05635","RT [min]":"3.662","Area (Max.)":"2223705.101"},{"Metabolite":"1-Nitrosopiperidine","Formula":"C5 H10 N2 O","Calc MW":"114.07955","m/z":"115.08683","RT [min]":"8.003","Area (Max.)":"23499538.3"},{"Metabolite":"1-phenylethan-1-one hydrazone","Formula":"C8 H10 N2","Calc MW":"134.08433","m/z":"152.11815","RT [min]":"5.018","Area (Max.)":"16823213.9"},{"Metabolite":"1-phenylpropane-1_2-dione","Formula":"C9 H8 O2","Calc MW":"148.05236","m/z":"166.08618","RT [min]":"4.702","Area (Max.)":"965896300.4"},{"Metabolite":"1-Pyrroline-4-hydroxy-2-carboxylate","Formula":"C5 H7 N O3","Calc MW":"129.04259","m/z":"150.56318","RT [min]":"5.631","Area (Max.)":"5196152.685"},{"Metabolite":"1-Vinyl-2-pyrrolidone","Formula":"C6 H9 N O","Calc MW":"111.06857","m/z":"112.07596","RT [min]":"6.441","Area 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[min]":"5.633","Area (Max.)":"23805027.69"},{"Metabolite":"2_5-Dioxopiperazine","Formula":"C4 H6 N2 O2","Calc MW":"114.043055","m/z":"123.563605","RT [min]":"3.654","Area (Max.)":"777399271.7"},{"Metabolite":"2_6-Diamino-4-hydroxy-5-(N-methyl)formamidopyrimidine","Formula":"C6 H9 N5 O2","Calc MW":"183.07561","m/z":"184.08287","RT [min]":"3.586","Area (Max.)":"1644468.549"},{"Metabolite":"2_6-Diaminoheptanedioicacid","Formula":"C7 H14 N2 O4","Calc MW":"190.09523","m/z":"191.102505","RT [min]":"4.141","Area (Max.)":"60040703.14"},{"Metabolite":"2_7-Anhydro-alpha-N-acetylneuraminicacid","Formula":"C11 H17 N O8","Calc MW":"291.09514","m/z":"292.10242","RT [min]":"7.495","Area (Max.)":"22518735.76"},{"Metabolite":"2172","Formula":"C23 H29 N5 O","Calc MW":"391.2354","m/z":"392.24266","RT [min]":"0.684","Area (Max.)":"5369284.167"},{"Metabolite":"2-Amino-1H-benzimidazole","Formula":"C7 H7 N3","Calc MW":"133.06402","m/z":"134.07131","RT [min]":"3.928","Area 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[min]":"6.101","Area (Max.)":"6524325.909"},{"Metabolite":"4-(Methylthio)-6-(4-pyridyl)-1,3,5-triazin-2-amine","Formula":"C9 H9 N5 S","Calc MW":"219.06185","m/z":"220.06914","RT [min]":"6.326","Area (Max.)":"331130655.5"},{"Metabolite":"4-(Nitrosoamino)-1-(3-pyridinyl)-1-butanol","Formula":"C9 H13 N3 O2","Calc MW":"195.100775","m/z":"196.108145","RT [min]":"4.193","Area (Max.)":"14153594.57"},{"Metabolite":"4-(trifluoromethyl)nicotinic acid","Formula":"C7 H4 F3 N O2","Calc MW":"191.01691","m/z":"192.02419","RT [min]":"6.81","Area (Max.)":"32107095.39"},{"Metabolite":"4,6-Diamino-5-formamidopyrimidine","Formula":"C5 H7 N5 O","Calc MW":"153.065","m/z":"154.07226","RT [min]":"3.653","Area (Max.)":"6891708.119"},{"Metabolite":"4,8-dihydroxy-6,6,8-trimethyl-1H,3H,4H,4aH,5H,6H,7H,7aH,8H,9H-azuleno[5,6-c]furan-1-one","Formula":"C15 H22 O4","Calc MW":"210.603395","m/z":"289.13911","RT [min]":"6.404","Area (Max.)":"198979263.4"},{"Metabolite":"4-[4-(Trifluoromethoxy)phenyl]-6,7-dihydrothieno[3,2-c]pyridine","Formula":"C14 H10 F3 N O S","Calc MW":"297.04477","m/z":"298.05205","RT [min]":"5.098","Area (Max.)":"4907020.712"},{"Metabolite":"4-Acetamido-2-amino-6-nitrotoluene","Formula":"C9 H11 N3 O3","Calc MW":"209.07979","m/z":"210.08706","RT [min]":"6.315","Area (Max.)":"8453057.474"},{"Metabolite":"4-Acetamidobenzoic acid","Formula":"C9 H9 N O3","Calc MW":"179.0588733","m/z":"185.7416633","RT [min]":"0.696","Area (Max.)":"727785074.8"},{"Metabolite":"4-amino-1-(2-furylmethyl)-6-hydroxy-1,2-dihydropyrimidine-2-thione","Formula":"C9 H9 N3 O2 S","Calc MW":"245.02615","m/z":"246.03343","RT [min]":"8.562","Area (Max.)":"6585381.675"},{"Metabolite":"4-Amino-2-pyrazin-2-ylpyrimidine-5-carbonitrile","Formula":"C9 H6 N6","Calc MW":"215.09046","m/z":"216.09782","RT [min]":"7.187","Area (Max.)":"578398.186"},{"Metabolite":"4-Amino-5-hydroxymethyl-2-methylpyrimidine","Formula":"C6 H9 N3 O","Calc 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(Max.)":"114242745.9"},{"Metabolite":"4-phenyl-6-(2-thienyl)-2,3,4,5-tetrahydropyridazin-3-one","Formula":"C14 H12 N2 O S","Calc MW":"215.04695","m/z":"216.05424","RT [min]":"5.049","Area (Max.)":"1354699.549"},{"Metabolite":"4-phenylsemicarbazide","Formula":"C7 H9 N3 O","Calc MW":"151.07449","m/z":"152.08176","RT [min]":"6.313","Area (Max.)":"84940228.75"},{"Metabolite":"4-Undecylbenzenesulfonic acid","Formula":"C17 H28 O3 S","Calc MW":"312.17593","m/z":"313.18328","RT [min]":"5.167","Area (Max.)":"4859564.668"},{"Metabolite":"4-Vinylpyridine","Formula":"C7 H7 N","Calc MW":"105.0578","m/z":"228.14939","RT [min]":"3.664","Area (Max.)":"6299631.376"},{"Metabolite":"5-({[3-chloro-5-(trifluoromethyl)-2-pyridyl]methyl}thio)-4-pentyl-4H-1,2,4-triazol-3-ol","Formula":"C14 H16 Cl F3 N4 O S","Calc MW":"380.07167","m/z":"381.07895","RT [min]":"6.493","Area (Max.)":"10307670.29"},{"Metabolite":"5-(6-hydroxy-6-methyloctyl)-2,5-dihydrofuran-2-one","Formula":"C13 H22 O3","Calc 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(Max.)":"84744133.06"},{"Metabolite":"6,8-di(tert-butyl)-4-oxo-4H-chromene-2-carboxylic acid","Formula":"C18 H22 O4","Calc MW":"302.14751","m/z":"303.15479","RT [min]":"6.05","Area (Max.)":"1710188.143"},{"Metabolite":"6-Acetamido-3-aminohexanoate","Formula":"C8 H16 N2 O3","Calc MW":"188.11588","m/z":"267.13709","RT [min]":"4.799","Area (Max.)":"2940640.791"},{"Metabolite":"6-anilino-1,3-dimethyl-1,2,3,4-tetrahydropyrimidine-2,4-dione","Formula":"C12 H13 N3 O2","Calc MW":"231.1006","m/z":"232.10788","RT [min]":"3.598","Area (Max.)":"8392768.737"},{"Metabolite":"6-Deoxy-3-O-methyl-beta-D-galactopyranose","Formula":"C7 H14 O5","Calc MW":"178.08404","m/z":"220.11786","RT [min]":"6.095","Area (Max.)":"1739167.836"},{"Metabolite":"6-Isopropylidene-4,4a-dimethyl-7-oxodecahydro-2-naphthalenyl (2E)-3-(methylsulfanyl)acrylate","Formula":"C19 H28 O3 S","Calc MW":"336.1746","m/z":"337.18188","RT [min]":"2.042","Area 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[min]":"8.437","Area (Max.)":"1135705.223"},{"Metabolite":"lys-leu","Formula":"C12 H25 N3 O3","Calc MW":"259.18943","m/z":"260.196705","RT [min]":"6.906","Area (Max.)":"10804926.41"},{"Metabolite":"Lys-phe","Formula":"C15 H23 N3 O3","Calc MW":"293.173725","m/z":"294.181035","RT [min]":"6.728","Area (Max.)":"12272193.59"},{"Metabolite":"Lys-Pro","Formula":"C11 H21 N3 O3","Calc MW":"243.15803","m/z":"276.19152","RT [min]":"8.259","Area (Max.)":"14397090.56"},{"Metabolite":"lys-thr","Formula":"C10 H21 N3 O4","Calc MW":"247.1531","m/z":"248.16038","RT [min]":"5.044","Area (Max.)":"1829061.911"},{"Metabolite":"Lysylvaline","Formula":"C11 H23 N3 O3","Calc MW":"245.17374","m/z":"246.18102","RT [min]":"5.464","Area (Max.)":"3879070.922"},{"Metabolite":"Macarpine","Formula":"C22 H18 N O6","Calc MW":"392.11194","m/z":"393.11922","RT [min]":"6.891","Area (Max.)":"2868518.257"},{"Metabolite":"Maleamate","Formula":"C4 H5 N O3","Calc MW":"115.02707","m/z":"116.034455","RT [min]":"7.633","Area 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}

}