{
"METABOLOMICS WORKBENCH":{"STUDY_ID":"ST003278","ANALYSIS_ID":"AN005370","PROJECT_ID":"PR002032","VERSION":"1","CREATED_ON":"June 21, 2024, 12:12 pm"},

"PROJECT":{"PROJECT_TITLE":"Metabolomic Analysis of Axon Regeneration in Xenopus laevis","PROJECT_SUMMARY":"CNS injuries of the anuran amphibian, Xenopus laevis, are uniquely befitted for studying the molecular compositions of neuronal regeneration of retinal ganglion cells (RGC) due to a functional recovery of optic axons disparate to adult mammalian analogues. RGCs and their optic nerve axons undergo irreversible neurodegeneration in glaucoma and associated optic neuropathies, resulting in blindness in mammals. Conversely, Xenopus demonstrates RGC lifetime-spanning regenerative capabilities after optic nerve crush, inciting opportunities to compare de novo regeneration and develop efficient pharmaceutical approaches for vision restoration. Studies revealing metabolome alterations during optic nerve regeneration are sparse and could serve as a solid foundation for these underlying molecular changes. We profile the metabolite changes in the optic tissues of a transgenic line of 1 year old Xenopus laevis Tg(islet2b:gfp) frogs that either had a monocular surgery of either a left optic crush injury (crush) or sham surgery (sham). The matching controls of uninjured right optic nerves were also collected (control). Tg(islet2b:gfp) frogs were allowed to recover for 12 and 27 days post optic nerve crush. Following euthanasia, the tissues were collected for metabolomic analysis. Samples were pooled for each category (crush, sham, and control) at n =3 to obtain sufficient metabolite concentrations for analysis. 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","PHONE":"3054824103"},

"STUDY":{"STUDY_TITLE":"Metabolomic analysis of Axon Regeneration in Xenopus laevis Retina","STUDY_SUMMARY":"We profile the metabolite changes in the retina of a transgenic line of 1 year old Xenopus laevis Tg(islet2b:gfp) frogs that either had a monocular surgery of either a left optic crush injury (crush) or sham surgery (sham). The matching controls of uninjured right optic nerves were also collected (control). Tg(islet2b:gfp) frogs were allowed to recover for 12 and 27 days post optic nerve crush. Following euthanasia, the tissues were collected for metabolomic analysis. Samples were pooled for each category (crush, sham, and control) at n =3 to obtain sufficient metabolite concentrations for analysis. 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","PHONE":"3054824103"},

"SUBJECT":{"SUBJECT_TYPE":"Amphibian","SUBJECT_SPECIES":"Xenopus laevis","TAXONOMY_ID":"8355","GENDER":"Not applicable"},
"SUBJECT_SAMPLE_FACTORS":[
{
"Subject ID":"-",
"Sample ID":"CTL_12dpi_Ret1_POS1",
"Factors":{"Sample source":"Retina","Treatment":"Control"},
"Additional sample data":{"RAW_FILE_NAME":"CTL_12dpi_Ret1_POS1.raw"}
},
{
"Subject ID":"-",
"Sample ID":"CTL_12dpi_Ret1_POS2",
"Factors":{"Sample source":"Retina","Treatment":"Control"},
"Additional sample data":{"RAW_FILE_NAME":"CTL_12dpi_Ret1_POS2.raw"}
},
{
"Subject ID":"-",
"Sample ID":"CTL_12dpi_Ret1_POS3",
"Factors":{"Sample source":"Retina","Treatment":"Control"},
"Additional sample data":{"RAW_FILE_NAME":"CTL_12dpi_Ret1_POS3.raw"}
},
{
"Subject ID":"-",
"Sample ID":"CTL_12dpi_Ret1_NEG1",
"Factors":{"Sample source":"Retina","Treatment":"Control"},
"Additional sample data":{"RAW_FILE_NAME":"CTL_12dpi_Ret1_NEG1.raw"}
},
{
"Subject ID":"-",
"Sample ID":"CTL_12dpi_Ret1_NEG2",
"Factors":{"Sample source":"Retina","Treatment":"Control"},
"Additional sample data":{"RAW_FILE_NAME":"CTL_12dpi_Ret1_NEG2.raw"}
},
{
"Subject ID":"-",
"Sample ID":"CTL_12dpi_Ret1_NEG3",
"Factors":{"Sample source":"Retina","Treatment":"Control"},
"Additional sample data":{"RAW_FILE_NAME":"CTL_12dpi_Ret1_NEG3.raw"}
},
{
"Subject ID":"-",
"Sample ID":"CTL_12dpi_Ret2_POS1",
"Factors":{"Sample source":"Retina","Treatment":"Control"},
"Additional sample data":{"RAW_FILE_NAME":"CTL_12dpi_Ret2_POS1.raw"}
},
{
"Subject ID":"-",
"Sample ID":"CTL_12dpi_Ret2_POS2",
"Factors":{"Sample source":"Retina","Treatment":"Control"},
"Additional sample data":{"RAW_FILE_NAME":"CTL_12dpi_Ret2_POS2.raw"}
},
{
"Subject ID":"-",
"Sample ID":"CTL_12dpi_Ret2_POS3",
"Factors":{"Sample source":"Retina","Treatment":"Control"},
"Additional sample data":{"RAW_FILE_NAME":"CTL_12dpi_Ret2_POS3.raw"}
},
{
"Subject ID":"-",
"Sample ID":"CTL_12dpi_Ret2_NEG1",
"Factors":{"Sample source":"Retina","Treatment":"Control"},
"Additional sample data":{"RAW_FILE_NAME":"CTL_12dpi_Ret2_NEG1.raw"}
},
{
"Subject ID":"-",
"Sample ID":"CTL_12dpi_Ret2_NEG2",
"Factors":{"Sample source":"Retina","Treatment":"Control"},
"Additional sample data":{"RAW_FILE_NAME":"CTL_12dpi_Ret2_NEG2.raw"}
},
{
"Subject ID":"-",
"Sample ID":"CTL_12dpi_Ret2_NEG3",
"Factors":{"Sample source":"Retina","Treatment":"Control"},
"Additional sample data":{"RAW_FILE_NAME":"CTL_12dpi_Ret2_NEG3.raw"}
},
{
"Subject ID":"-",
"Sample ID":"CTL_27dpi_Ret1_POS1",
"Factors":{"Sample source":"Retina","Treatment":"Control"},
"Additional sample data":{"RAW_FILE_NAME":"CTL_27dpi_Ret1_POS1.raw"}
},
{
"Subject ID":"-",
"Sample ID":"CTL_27dpi_Ret1_POS2",
"Factors":{"Sample source":"Retina","Treatment":"Control"},
"Additional sample data":{"RAW_FILE_NAME":"CTL_27dpi_Ret1_POS2.raw"}
},
{
"Subject ID":"-",
"Sample ID":"CTL_27dpi_Ret1_POS3",
"Factors":{"Sample source":"Retina","Treatment":"Control"},
"Additional sample data":{"RAW_FILE_NAME":"CTL_27dpi_Ret1_POS3.raw"}
},
{
"Subject ID":"-",
"Sample ID":"CTL_27dpi_Ret1_NEG1",
"Factors":{"Sample source":"Retina","Treatment":"Control"},
"Additional sample data":{"RAW_FILE_NAME":"CTL_27dpi_Ret1_NEG1.raw"}
},
{
"Subject ID":"-",
"Sample ID":"CTL_27dpi_Ret1_NEG2",
"Factors":{"Sample source":"Retina","Treatment":"Control"},
"Additional sample data":{"RAW_FILE_NAME":"CTL_27dpi_Ret1_NEG2.raw"}
},
{
"Subject ID":"-",
"Sample ID":"CTL_27dpi_Ret1_NEG3",
"Factors":{"Sample source":"Retina","Treatment":"Control"},
"Additional sample data":{"RAW_FILE_NAME":"CTL_27dpi_Ret1_NEG3.raw"}
},
{
"Subject ID":"-",
"Sample ID":"CTL_27dpi_Ret2_POS1",
"Factors":{"Sample source":"Retina","Treatment":"Control"},
"Additional sample data":{"RAW_FILE_NAME":"CTL_27dpi_Ret2_POS1.raw"}
},
{
"Subject ID":"-",
"Sample ID":"CTL_27dpi_Ret2_POS2",
"Factors":{"Sample source":"Retina","Treatment":"Control"},
"Additional sample data":{"RAW_FILE_NAME":"CTL_27dpi_Ret2_POS2.raw"}
},
{
"Subject ID":"-",
"Sample ID":"CTL_27dpi_Ret2_POS3",
"Factors":{"Sample source":"Retina","Treatment":"Control"},
"Additional sample data":{"RAW_FILE_NAME":"CTL_27dpi_Ret2_POS3.raw"}
},
{
"Subject ID":"-",
"Sample ID":"CTL_27dpi_Ret2_NEG1",
"Factors":{"Sample source":"Retina","Treatment":"Control"},
"Additional sample data":{"RAW_FILE_NAME":"CTL_27dpi_Ret2_NEG1.raw"}
},
{
"Subject ID":"-",
"Sample ID":"CTL_27dpi_Ret2_NEG2",
"Factors":{"Sample source":"Retina","Treatment":"Control"},
"Additional sample data":{"RAW_FILE_NAME":"CTL_27dpi_Ret2_NEG2.raw"}
},
{
"Subject ID":"-",
"Sample ID":"CTL_27dpi_Ret2_NEG3",
"Factors":{"Sample source":"Retina","Treatment":"Control"},
"Additional sample data":{"RAW_FILE_NAME":"CTL_27dpi_Ret2_NEG3.raw"}
},
{
"Subject ID":"-",
"Sample ID":"CTL_27dpi_Ret3_POS1",
"Factors":{"Sample source":"Retina","Treatment":"Control"},
"Additional sample data":{"RAW_FILE_NAME":"CTL_27dpi_Ret3_POS1.raw"}
},
{
"Subject ID":"-",
"Sample ID":"CTL_27dpi_Ret3_POS2",
"Factors":{"Sample source":"Retina","Treatment":"Control"},
"Additional sample data":{"RAW_FILE_NAME":"CTL_27dpi_Ret3_POS2.raw"}
},
{
"Subject ID":"-",
"Sample ID":"CTL_27dpi_Ret3_POS3",
"Factors":{"Sample source":"Retina","Treatment":"Control"},
"Additional sample data":{"RAW_FILE_NAME":"CTL_27dpi_Ret3_POS3.raw"}
},
{
"Subject ID":"-",
"Sample ID":"CTL_27dpi_Ret3_NEG1",
"Factors":{"Sample source":"Retina","Treatment":"Control"},
"Additional sample data":{"RAW_FILE_NAME":"CTL_27dpi_Ret3_NEG1.raw"}
},
{
"Subject ID":"-",
"Sample ID":"CTL_27dpi_Ret3_NEG2",
"Factors":{"Sample source":"Retina","Treatment":"Control"},
"Additional sample data":{"RAW_FILE_NAME":"CTL_27dpi_Ret3_NEG2.raw"}
},
{
"Subject ID":"-",
"Sample ID":"CTL_27dpi_Ret3_NEG3",
"Factors":{"Sample source":"Retina","Treatment":"Control"},
"Additional sample data":{"RAW_FILE_NAME":"CTL_27dpi_Ret3_NEG3.raw"}
},
{
"Subject ID":"-",
"Sample ID":"CX_12dpi_Ret1_POS1",
"Factors":{"Sample source":"Retina","Treatment":"Crush"},
"Additional sample data":{"RAW_FILE_NAME":"CX_12dpi_Ret1_POS1.raw"}
},
{
"Subject ID":"-",
"Sample ID":"CX_12dpi_Ret1_POS2",
"Factors":{"Sample source":"Retina","Treatment":"Crush"},
"Additional sample data":{"RAW_FILE_NAME":"CX_12dpi_Ret1_POS2.raw"}
},
{
"Subject ID":"-",
"Sample ID":"CX_12dpi_Ret1_POS3",
"Factors":{"Sample source":"Retina","Treatment":"Crush"},
"Additional sample data":{"RAW_FILE_NAME":"CX_12dpi_Ret1_POS3.raw"}
},
{
"Subject ID":"-",
"Sample ID":"CX_12dpi_Ret1_NEG1",
"Factors":{"Sample source":"Retina","Treatment":"Crush"},
"Additional sample data":{"RAW_FILE_NAME":"CX_12dpi_Ret1_NEG1.raw"}
},
{
"Subject ID":"-",
"Sample ID":"CX_12dpi_Ret1_NEG2",
"Factors":{"Sample source":"Retina","Treatment":"Crush"},
"Additional sample data":{"RAW_FILE_NAME":"CX_12dpi_Ret1_NEG2.raw"}
},
{
"Subject ID":"-",
"Sample ID":"CX_12dpi_Ret1_NEG3",
"Factors":{"Sample source":"Retina","Treatment":"Crush"},
"Additional sample data":{"RAW_FILE_NAME":"CX_12dpi_Ret1_NEG3.raw"}
},
{
"Subject ID":"-",
"Sample ID":"CX_12dpi_Ret2_POS1",
"Factors":{"Sample source":"Retina","Treatment":"Crush"},
"Additional sample data":{"RAW_FILE_NAME":"CX_12dpi_Ret2_POS1.raw"}
},
{
"Subject ID":"-",
"Sample ID":"CX_12dpi_Ret2_POS2",
"Factors":{"Sample source":"Retina","Treatment":"Crush"},
"Additional sample data":{"RAW_FILE_NAME":"CX_12dpi_Ret2_POS2.raw"}
},
{
"Subject ID":"-",
"Sample ID":"CX_12dpi_Ret2_POS3",
"Factors":{"Sample source":"Retina","Treatment":"Crush"},
"Additional sample data":{"RAW_FILE_NAME":"CX_12dpi_Ret2_POS3.raw"}
},
{
"Subject ID":"-",
"Sample ID":"CX_12dpi_Ret2_NEG1",
"Factors":{"Sample source":"Retina","Treatment":"Crush"},
"Additional sample data":{"RAW_FILE_NAME":"CX_12dpi_Ret2_NEG1.raw"}
},
{
"Subject ID":"-",
"Sample ID":"CX_12dpi_Ret2_NEG2",
"Factors":{"Sample source":"Retina","Treatment":"Crush"},
"Additional sample data":{"RAW_FILE_NAME":"CX_12dpi_Ret2_NEG2.raw"}
},
{
"Subject ID":"-",
"Sample ID":"CX_12dpi_Ret2_NEG3",
"Factors":{"Sample source":"Retina","Treatment":"Crush"},
"Additional sample data":{"RAW_FILE_NAME":"CX_12dpi_Ret2_NEG3.raw"}
},
{
"Subject ID":"-",
"Sample ID":"CX_27dpi_Ret1_POS1",
"Factors":{"Sample source":"Retina","Treatment":"Crush"},
"Additional sample data":{"RAW_FILE_NAME":"CX_27dpi_Ret1_POS1.raw"}
},
{
"Subject ID":"-",
"Sample ID":"CX_27dpi_Ret1_POS2",
"Factors":{"Sample source":"Retina","Treatment":"Crush"},
"Additional sample data":{"RAW_FILE_NAME":"CX_27dpi_Ret1_POS2.raw"}
},
{
"Subject ID":"-",
"Sample ID":"CX_27dpi_Ret1_POS3",
"Factors":{"Sample source":"Retina","Treatment":"Crush"},
"Additional sample data":{"RAW_FILE_NAME":"CX_27dpi_Ret1_POS3.raw"}
},
{
"Subject ID":"-",
"Sample ID":"CX_27dpi_Ret1_NEG1",
"Factors":{"Sample source":"Retina","Treatment":"Crush"},
"Additional sample data":{"RAW_FILE_NAME":"CX_27dpi_Ret1_NEG1.raw"}
},
{
"Subject ID":"-",
"Sample ID":"CX_27dpi_Ret1_NEG2",
"Factors":{"Sample source":"Retina","Treatment":"Crush"},
"Additional sample data":{"RAW_FILE_NAME":"CX_27dpi_Ret1_NEG2.raw"}
},
{
"Subject ID":"-",
"Sample ID":"CX_27dpi_Ret1_NEG3",
"Factors":{"Sample source":"Retina","Treatment":"Crush"},
"Additional sample data":{"RAW_FILE_NAME":"CX_27dpi_Ret1_NEG3.raw"}
},
{
"Subject ID":"-",
"Sample ID":"CX_27dpi_Ret2_POS1",
"Factors":{"Sample source":"Retina","Treatment":"Crush"},
"Additional sample data":{"RAW_FILE_NAME":"CX_27dpi_Ret2_POS1.raw"}
},
{
"Subject ID":"-",
"Sample ID":"CX_27dpi_Ret2_POS2",
"Factors":{"Sample source":"Retina","Treatment":"Crush"},
"Additional sample data":{"RAW_FILE_NAME":"CX_27dpi_Ret2_POS2.raw"}
},
{
"Subject ID":"-",
"Sample ID":"CX_27dpi_Ret2_POS3",
"Factors":{"Sample source":"Retina","Treatment":"Crush"},
"Additional sample data":{"RAW_FILE_NAME":"CX_27dpi_Ret2_POS3.raw"}
},
{
"Subject ID":"-",
"Sample ID":"CX_27dpi_Ret2_NEG1",
"Factors":{"Sample source":"Retina","Treatment":"Crush"},
"Additional sample data":{"RAW_FILE_NAME":"CX_27dpi_Ret2_NEG1.raw"}
},
{
"Subject ID":"-",
"Sample ID":"CX_27dpi_Ret2_NEG2",
"Factors":{"Sample source":"Retina","Treatment":"Crush"},
"Additional sample data":{"RAW_FILE_NAME":"CX_27dpi_Ret2_NEG2.raw"}
},
{
"Subject ID":"-",
"Sample ID":"CX_27dpi_Ret2_NEG3",
"Factors":{"Sample source":"Retina","Treatment":"Crush"},
"Additional sample data":{"RAW_FILE_NAME":"CX_27dpi_Ret2_NEG3.raw"}
},
{
"Subject ID":"-",
"Sample ID":"CX_27dpi_Ret3_POS1",
"Factors":{"Sample source":"Retina","Treatment":"Crush"},
"Additional sample data":{"RAW_FILE_NAME":"CX_27dpi_Ret3_POS1.raw"}
},
{
"Subject ID":"-",
"Sample ID":"CX_27dpi_Ret3_POS2",
"Factors":{"Sample source":"Retina","Treatment":"Crush"},
"Additional sample data":{"RAW_FILE_NAME":"CX_27dpi_Ret3_POS2.raw"}
},
{
"Subject ID":"-",
"Sample ID":"CX_27dpi_Ret3_POS3",
"Factors":{"Sample source":"Retina","Treatment":"Crush"},
"Additional sample data":{"RAW_FILE_NAME":"CX_27dpi_Ret3_POS3.raw"}
},
{
"Subject ID":"-",
"Sample ID":"CX_27dpi_Ret3_NEG1",
"Factors":{"Sample source":"Retina","Treatment":"Crush"},
"Additional sample data":{"RAW_FILE_NAME":"CX_27dpi_Ret3_NEG1.raw"}
},
{
"Subject ID":"-",
"Sample ID":"CX_27dpi_Ret3_NEG2",
"Factors":{"Sample source":"Retina","Treatment":"Crush"},
"Additional sample data":{"RAW_FILE_NAME":"CX_27dpi_Ret3_NEG2.raw"}
},
{
"Subject ID":"-",
"Sample ID":"CX_27dpi_Ret3_NEG3",
"Factors":{"Sample source":"Retina","Treatment":"Crush"},
"Additional sample data":{"RAW_FILE_NAME":"CX_27dpi_Ret3_NEG3.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Left_Ret_SHAM1_POS1",
"Factors":{"Sample source":"Retina","Treatment":"Sham"},
"Additional sample data":{"RAW_FILE_NAME":"Left_Ret_SHAM1_POS1.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Left_Ret_SHAM1_POS2",
"Factors":{"Sample source":"Retina","Treatment":"Sham"},
"Additional sample data":{"RAW_FILE_NAME":"Left_Ret_SHAM1_POS2.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Left_Ret_SHAM1_POS3",
"Factors":{"Sample source":"Retina","Treatment":"Sham"},
"Additional sample data":{"RAW_FILE_NAME":"Left_Ret_SHAM1_POS3.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Left_Ret_SHAM1_NEG1",
"Factors":{"Sample source":"Retina","Treatment":"Sham"},
"Additional sample data":{"RAW_FILE_NAME":"Left_Ret_SHAM1_NEG1.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Left_Ret_SHAM1_NEG2",
"Factors":{"Sample source":"Retina","Treatment":"Sham"},
"Additional sample data":{"RAW_FILE_NAME":"Left_Ret_SHAM1_NEG2.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Left_Ret_SHAM1_NEG3",
"Factors":{"Sample source":"Retina","Treatment":"Sham"},
"Additional sample data":{"RAW_FILE_NAME":"Left_Ret_SHAM1_NEG3.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Left_Ret_SHAM2_POS1",
"Factors":{"Sample source":"Retina","Treatment":"Sham"},
"Additional sample data":{"RAW_FILE_NAME":"Left_Ret_SHAM2_POS1.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Left_Ret_SHAM2_POS2",
"Factors":{"Sample source":"Retina","Treatment":"Sham"},
"Additional sample data":{"RAW_FILE_NAME":"Left_Ret_SHAM2_POS2.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Left_Ret_SHAM2_POS3",
"Factors":{"Sample source":"Retina","Treatment":"Sham"},
"Additional sample data":{"RAW_FILE_NAME":"Left_Ret_SHAM2_POS3.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Left_Ret_SHAM2_NEG1",
"Factors":{"Sample source":"Retina","Treatment":"Sham"},
"Additional sample data":{"RAW_FILE_NAME":"Left_Ret_SHAM2_NEG1.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Left_Ret_SHAM2_NEG2",
"Factors":{"Sample source":"Retina","Treatment":"Sham"},
"Additional sample data":{"RAW_FILE_NAME":"Left_Ret_SHAM2_NEG2.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Left_Ret_SHAM2_NEG3",
"Factors":{"Sample source":"Retina","Treatment":"Sham"},
"Additional sample data":{"RAW_FILE_NAME":"Left_Ret_SHAM2_NEG3.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Pooled_QC1_MS1_Ret_POS1",
"Factors":{"Sample source":"Retina","Treatment":"QC"},
"Additional sample data":{"RAW_FILE_NAME":"Pooled_QC1_MS1_Ret_POS1.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Pooled_QC1_MS1_Ret_POS2",
"Factors":{"Sample source":"Retina","Treatment":"QC"},
"Additional sample data":{"RAW_FILE_NAME":"Pooled_QC1_MS1_Ret_POS2.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Pooled_QC1_MS1_Ret_NEG1",
"Factors":{"Sample source":"Retina","Treatment":"QC"},
"Additional sample data":{"RAW_FILE_NAME":"Pooled_QC1_MS1_Ret_NEG1.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Pooled_QC1_MS1_Ret_NEG2",
"Factors":{"Sample source":"Retina","Treatment":"QC"},
"Additional sample data":{"RAW_FILE_NAME":"Pooled_QC1_MS1_Ret_NEG2.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Pooled_QC2_MS1_Ret_POS1",
"Factors":{"Sample source":"Retina","Treatment":"QC"},
"Additional sample data":{"RAW_FILE_NAME":"Pooled_QC2_MS1_Ret_POS1.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Pooled_QC2_MS1_Ret_POS2",
"Factors":{"Sample source":"Retina","Treatment":"QC"},
"Additional sample data":{"RAW_FILE_NAME":"Pooled_QC2_MS1_Ret_POS2.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Pooled_QC2_MS1_Ret_NEG1",
"Factors":{"Sample source":"Retina","Treatment":"QC"},
"Additional sample data":{"RAW_FILE_NAME":"Pooled_QC2_MS1_Ret_NEG1.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Pooled_QC2_MS1_Ret_NEG2",
"Factors":{"Sample source":"Retina","Treatment":"QC"},
"Additional sample data":{"RAW_FILE_NAME":"Pooled_QC2_MS1_Ret_NEG2.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Right_Ret_SHAM1_POS1",
"Factors":{"Sample source":"Retina","Treatment":"Sham"},
"Additional sample data":{"RAW_FILE_NAME":"Right_Ret_SHAM1_POS1.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Right_Ret_SHAM1_POS2",
"Factors":{"Sample source":"Retina","Treatment":"Sham"},
"Additional sample data":{"RAW_FILE_NAME":"Right_Ret_SHAM1_POS2.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Right_Ret_SHAM1_POS3",
"Factors":{"Sample source":"Retina","Treatment":"Sham"},
"Additional sample data":{"RAW_FILE_NAME":"Right_Ret_SHAM1_POS3.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Right_Ret_SHAM1_NEG1",
"Factors":{"Sample source":"Retina","Treatment":"Sham"},
"Additional sample data":{"RAW_FILE_NAME":"Right_Ret_SHAM1_NEG1.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Right_Ret_SHAM1_NEG2",
"Factors":{"Sample source":"Retina","Treatment":"Sham"},
"Additional sample data":{"RAW_FILE_NAME":"Right_Ret_SHAM1_NEG2.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Right_Ret_SHAM1_NEG3",
"Factors":{"Sample source":"Retina","Treatment":"Sham"},
"Additional sample data":{"RAW_FILE_NAME":"Right_Ret_SHAM1_NEG3.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Right_Ret_SHAM2_POS1",
"Factors":{"Sample source":"Retina","Treatment":"Sham"},
"Additional sample data":{"RAW_FILE_NAME":"Right_Ret_SHAM2_POS1.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Right_Ret_SHAM2_POS2",
"Factors":{"Sample source":"Retina","Treatment":"Sham"},
"Additional sample data":{"RAW_FILE_NAME":"Right_Ret_SHAM2_POS2.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Right_Ret_SHAM2_POS3",
"Factors":{"Sample source":"Retina","Treatment":"Sham"},
"Additional sample data":{"RAW_FILE_NAME":"Right_Ret_SHAM2_POS3.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Right_Ret_SHAM2_NEG1",
"Factors":{"Sample source":"Retina","Treatment":"Sham"},
"Additional sample data":{"RAW_FILE_NAME":"Right_Ret_SHAM2_NEG1.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Right_Ret_SHAM2_NEG2",
"Factors":{"Sample source":"Retina","Treatment":"Sham"},
"Additional sample data":{"RAW_FILE_NAME":"Right_Ret_SHAM2_NEG2.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Right_Ret_SHAM2_NEG3",
"Factors":{"Sample source":"Retina","Treatment":"Sham"},
"Additional sample data":{"RAW_FILE_NAME":"Right_Ret_SHAM2_NEG3.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Blank_POS1",
"Factors":{"Sample source":"NA","Treatment":"Extraction Blank"},
"Additional sample data":{"RAW_FILE_NAME":"Blank_POS1.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Blank_POS2",
"Factors":{"Sample source":"NA","Treatment":"Extraction Blank"},
"Additional sample data":{"RAW_FILE_NAME":"Blank_POS2.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Blank_POS3",
"Factors":{"Sample source":"NA","Treatment":"Extraction Blank"},
"Additional sample data":{"RAW_FILE_NAME":"Blank_POS3.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Blank_NEG1",
"Factors":{"Sample source":"NA","Treatment":"Extraction Blank"},
"Additional sample data":{"RAW_FILE_NAME":"Blank_NEG1.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Blank_NEG2",
"Factors":{"Sample source":"NA","Treatment":"Extraction Blank"},
"Additional sample data":{"RAW_FILE_NAME":"Blank_NEG2.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Blank_NEG3",
"Factors":{"Sample source":"NA","Treatment":"Extraction Blank"},
"Additional sample data":{"RAW_FILE_NAME":"Blank_NEG3.raw"}
}
],
"COLLECTION":{"COLLECTION_SUMMARY":"The tissue was removed via dissection from the optic nerve head to the optic chiasm. The retinas were collected at 12- and 27-days post crush and separated into biological samples. Due to the small tissue and metabolomics resolution constraints, tissues were pooled to generate higher signal intensities. A total of 3 retinas were pooled into one tube.","SAMPLE_TYPE":"Eye tissue"},

"TREATMENT":{"TREATMENT_SUMMARY":"Optic nerves from each transgenic Tg(Islet2b:EGFP-RPL10a) Xenopus laevis frogs, 3.5 - 5.0 cm in length, underwent monocular surgery of either a left optic crush injury (crush) or sham surgery (sham). The matching controls of uninjured right optic nerves were also collected (control). Operated individuals were anesthetized with 0.05% ethyl 3-aminobenzoate methanesulfonate (Sigma, USA)."},

"SAMPLEPREP":{"SAMPLEPREP_SUMMARY":"Retina 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":"Negative ion mode","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 Acetate; 0.1% acetic acid","SOLVENT_B":"50% acetonitrile/50% water; 10mM Ammonium Acetate; 0.1% acetic acid","FLOW_GRADIENT":"The gradient began at 1.0% B for 1 min, then shifted to 95.0% B for 9 minutes, then stayed at 95.0% B for 1 min before ramping down quickly to 1.0% B and held for 5 minutes.","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":"NEGATIVE","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":"Peak area",

"Data":[{"Metabolite":"1D-chiro-inositol","CTL_12dpi_Ret1_NEG1":"344113.5112","CTL_12dpi_Ret1_NEG2":"350063.8669","CTL_12dpi_Ret1_NEG3":"76481.07157","CTL_12dpi_Ret2_NEG1":"503860.3164","CTL_12dpi_Ret2_NEG2":"944642.42","CTL_12dpi_Ret2_NEG3":"107898.89","CTL_27dpi_Ret1_NEG1":"1103855.509","CTL_27dpi_Ret1_NEG2":"866944.4741","CTL_27dpi_Ret1_NEG3":"126110.2717","CTL_27dpi_Ret2_NEG1":"4463963.831","CTL_27dpi_Ret2_NEG2":"363922.878","CTL_27dpi_Ret2_NEG3":"129313.0671","CTL_27dpi_Ret3_NEG1":"1116546.267","CTL_27dpi_Ret3_NEG2":"860557.4147","CTL_27dpi_Ret3_NEG3":"85433.0998","CX_12dpi_Ret1_NEG1":"13023240.54","CX_12dpi_Ret1_NEG2":"9505068.565","CX_12dpi_Ret1_NEG3":"42162.77042","CX_12dpi_Ret2_NEG1":"265778.8126","CX_12dpi_Ret2_NEG2":"909678.9273","CX_12dpi_Ret2_NEG3":"230385.7134","CX_27dpi_Ret1_NEG1":"691777.5572","CX_27dpi_Ret1_NEG2":"456534.6693","CX_27dpi_Ret1_NEG3":"207359.4799","CX_27dpi_Ret2_NEG1":"1017963.581","CX_27dpi_Ret2_NEG2":"2991595.804","CX_27dpi_Ret2_NEG3":"95534.42919","CX_27dpi_Ret3_NEG1":"854510.4121","CX_27dpi_Ret3_NEG2":"202529.8813","CX_27dpi_Ret3_NEG3":"423177.9603","Left_Ret_SHAM1_NEG1":"5049462.044","Left_Ret_SHAM1_NEG2":"5797362.55","Left_Ret_SHAM1_NEG3":"182087.7465","Left_Ret_SHAM2_NEG1":"2407975.552","Left_Ret_SHAM2_NEG2":"1064690.358","Left_Ret_SHAM2_NEG3":"319901.3992","Pooled_QC1_MS1_Ret_NEG1":"508184.4805","Pooled_QC1_MS1_Ret_NEG2":"731215.8574","Pooled_QC2_MS1_Ret_NEG1":"1740700.694","Pooled_QC2_MS1_Ret_NEG2":"484288.0421","Right_Ret_SHAM1_NEG1":"715450.9","Right_Ret_SHAM1_NEG2":"274144.9418","Right_Ret_SHAM1_NEG3":"56709.60583","Right_Ret_SHAM2_NEG1":"14360355.45","Right_Ret_SHAM2_NEG2":"6965738.187","Right_Ret_SHAM2_NEG3":"96965.70348","Blank_NEG1":"5280.621425","Blank_NEG2":"4343.541199","Blank_NEG3":"4117.063688"},{"Metabolite":"1-Methoxypyrene","CTL_12dpi_Ret1_NEG1":"342234.984","CTL_12dpi_Ret1_NEG2":"291986.9507","CTL_12dpi_Ret1_NEG3":"51603.56663","CTL_12dpi_Ret2_NEG1":"280068.4745","CTL_12dpi_Ret2_NEG2":"1099729.644","CTL_12dpi_Ret2_NEG3":"72972.31964","CTL_27dpi_Ret1_NEG1":"2220952.596","CTL_27dpi_Ret1_NEG2":"1864324.782","CTL_27dpi_Ret1_NEG3":"95118.75496","CTL_27dpi_Ret2_NEG1":"918246.3115","CTL_27dpi_Ret2_NEG2":"582172.9138","CTL_27dpi_Ret2_NEG3":"104473.6903","CTL_27dpi_Ret3_NEG1":"9757404.926","CTL_27dpi_Ret3_NEG2":"8701445.509","CTL_27dpi_Ret3_NEG3":"60638.63011","CX_12dpi_Ret1_NEG1":"4565430.876","CX_12dpi_Ret1_NEG2":"4664495.618","CX_12dpi_Ret1_NEG3":"5136.742653","CX_12dpi_Ret2_NEG1":"178905.2156","CX_12dpi_Ret2_NEG2":"146860.2903","CX_12dpi_Ret2_NEG3":"369943.7345","CX_27dpi_Ret1_NEG1":"2171952.733","CX_27dpi_Ret1_NEG2":"2475302.222","CX_27dpi_Ret1_NEG3":"154439.5606","CX_27dpi_Ret2_NEG1":"574157.1993","CX_27dpi_Ret2_NEG2":"963531.7872","CX_27dpi_Ret2_NEG3":"62337.80493","CX_27dpi_Ret3_NEG1":"2622464.112","CX_27dpi_Ret3_NEG2":"1859480.157","CX_27dpi_Ret3_NEG3":"21317.17601","Left_Ret_SHAM1_NEG1":"418869.0042","Left_Ret_SHAM1_NEG2":"676080.5123","Left_Ret_SHAM1_NEG3":"124625.0729","Left_Ret_SHAM2_NEG1":"558672.0352","Left_Ret_SHAM2_NEG2":"618918.427","Left_Ret_SHAM2_NEG3":"237160.6029","Pooled_QC1_MS1_Ret_NEG1":"698487.658","Pooled_QC1_MS1_Ret_NEG2":"640676.043","Pooled_QC2_MS1_Ret_NEG1":"1257008.481","Pooled_QC2_MS1_Ret_NEG2":"606691.5415","Right_Ret_SHAM1_NEG1":"641650.8731","Right_Ret_SHAM1_NEG2":"242981.1759","Right_Ret_SHAM1_NEG3":"40211.93505","Right_Ret_SHAM2_NEG1":"583579.5249","Right_Ret_SHAM2_NEG2":"4055021.13","Right_Ret_SHAM2_NEG3":"67366.43047","Blank_NEG1":"2721.907268","Blank_NEG2":"2099.869871","Blank_NEG3":"1721.426061"},{"Metabolite":"Allopurinol","CTL_12dpi_Ret1_NEG1":"106979162.6","CTL_12dpi_Ret1_NEG2":"85826505.6","CTL_12dpi_Ret1_NEG3":"497658.0757","CTL_12dpi_Ret2_NEG1":"115558005.5","CTL_12dpi_Ret2_NEG2":"39844400.01","CTL_12dpi_Ret2_NEG3":"513535.2828","CTL_27dpi_Ret1_NEG1":"47023809.02","CTL_27dpi_Ret1_NEG2":"67220023.46","CTL_27dpi_Ret1_NEG3":"371120.4119","CTL_27dpi_Ret2_NEG1":"15196883.4","CTL_27dpi_Ret2_NEG2":"131511037.5","CTL_27dpi_Ret2_NEG3":"535144.662","CTL_27dpi_Ret3_NEG1":"240043.8744","CTL_27dpi_Ret3_NEG2":"1034647.685","CTL_27dpi_Ret3_NEG3":"584731.9231","CX_12dpi_Ret1_NEG1":"175623374.2","CX_12dpi_Ret1_NEG2":"633540760.4","CX_12dpi_Ret1_NEG3":"91294.89771","CX_12dpi_Ret2_NEG1":"72615466.07","CX_12dpi_Ret2_NEG2":"54578511.83","CX_12dpi_Ret2_NEG3":"59367935.96","CX_27dpi_Ret1_NEG1":"9090756.057","CX_27dpi_Ret1_NEG2":"8187853.662","CX_27dpi_Ret1_NEG3":"708287.0203","CX_27dpi_Ret2_NEG1":"32101837.32","CX_27dpi_Ret2_NEG2":"90374513.87","CX_27dpi_Ret2_NEG3":"665830.2494","CX_27dpi_Ret3_NEG1":"30798419.94","CX_27dpi_Ret3_NEG2":"23492695.42","CX_27dpi_Ret3_NEG3":"118973.8997","Left_Ret_SHAM1_NEG1":"117018656","Left_Ret_SHAM1_NEG2":"161631861.4","Left_Ret_SHAM1_NEG3":"461555.7906","Left_Ret_SHAM2_NEG1":"65595518.29","Left_Ret_SHAM2_NEG2":"205280766","Left_Ret_SHAM2_NEG3":"732462.6988","Pooled_QC1_MS1_Ret_NEG1":"79289265.49","Pooled_QC1_MS1_Ret_NEG2":"34055329.43","Pooled_QC2_MS1_Ret_NEG1":"107048453","Pooled_QC2_MS1_Ret_NEG2":"17552112.41","Right_Ret_SHAM1_NEG1":"181827883.1","Right_Ret_SHAM1_NEG2":"13279706.17","Right_Ret_SHAM1_NEG3":"371304.3491","Right_Ret_SHAM2_NEG1":"463723661.5","Right_Ret_SHAM2_NEG2":"3789276.275","Right_Ret_SHAM2_NEG3":"716374.7802","Blank_NEG1":"338795.6322","Blank_NEG2":"31038.62356","Blank_NEG3":"17904.51949"},{"Metabolite":"Didanosine","CTL_12dpi_Ret1_NEG1":"237680696.4","CTL_12dpi_Ret1_NEG2":"240619797.8","CTL_12dpi_Ret1_NEG3":"198191625.1","CTL_12dpi_Ret2_NEG1":"239344882.5","CTL_12dpi_Ret2_NEG2":"180430718.4","CTL_12dpi_Ret2_NEG3":"205684138.7","CTL_27dpi_Ret1_NEG1":"166211649.7","CTL_27dpi_Ret1_NEG2":"327096834.4","CTL_27dpi_Ret1_NEG3":"227880055.3","CTL_27dpi_Ret2_NEG1":"142994474","CTL_27dpi_Ret2_NEG2":"291656081.1","CTL_27dpi_Ret2_NEG3":"591522021.9","CTL_27dpi_Ret3_NEG1":"65915492.36","CTL_27dpi_Ret3_NEG2":"38187881.34","CTL_27dpi_Ret3_NEG3":"158923434.2","CX_12dpi_Ret1_NEG1":"20170922.77","CX_12dpi_Ret1_NEG2":"25889538.82","CX_12dpi_Ret1_NEG3":"28031271.13","CX_12dpi_Ret2_NEG1":"153811618.9","CX_12dpi_Ret2_NEG2":"100054094","CX_12dpi_Ret2_NEG3":"244130256.7","CX_27dpi_Ret1_NEG1":"490047328.9","CX_27dpi_Ret1_NEG2":"629571875.3","CX_27dpi_Ret1_NEG3":"163308801.4","CX_27dpi_Ret2_NEG1":"218088551.6","CX_27dpi_Ret2_NEG2":"316121687.2","CX_27dpi_Ret2_NEG3":"321946589.7","CX_27dpi_Ret3_NEG1":"254523278","CX_27dpi_Ret3_NEG2":"561947662.6","CX_27dpi_Ret3_NEG3":"108807844.3","Left_Ret_SHAM1_NEG1":"180569679.1","Left_Ret_SHAM1_NEG2":"444414799.2","Left_Ret_SHAM1_NEG3":"244573635.9","Left_Ret_SHAM2_NEG1":"133309851.7","Left_Ret_SHAM2_NEG2":"279725161.6","Left_Ret_SHAM2_NEG3":"32094801.91","Pooled_QC1_MS1_Ret_NEG1":"131887458.3","Pooled_QC1_MS1_Ret_NEG2":"164581876.2","Pooled_QC2_MS1_Ret_NEG1":"208534120.7","Pooled_QC2_MS1_Ret_NEG2":"897684692.3","Right_Ret_SHAM1_NEG1":"354589075.7","Right_Ret_SHAM1_NEG2":"92288659.76","Right_Ret_SHAM1_NEG3":"221466681.7","Right_Ret_SHAM2_NEG1":"26593958.83","Right_Ret_SHAM2_NEG2":"49168174.26","Right_Ret_SHAM2_NEG3":"223816793.8","Blank_NEG1":"5567688.299","Blank_NEG2":"5011470.511","Blank_NEG3":"7685318.06"},{"Metabolite":"Imafen","CTL_12dpi_Ret1_NEG1":"40911825.76","CTL_12dpi_Ret1_NEG2":"16786048.57","CTL_12dpi_Ret1_NEG3":"40978477.8","CTL_12dpi_Ret2_NEG1":"8817005.703","CTL_12dpi_Ret2_NEG2":"7739301.295","CTL_12dpi_Ret2_NEG3":"5504404.127","CTL_27dpi_Ret1_NEG1":"10902977.18","CTL_27dpi_Ret1_NEG2":"11163099.31","CTL_27dpi_Ret1_NEG3":"7852781.964","CTL_27dpi_Ret2_NEG1":"1394259.134","CTL_27dpi_Ret2_NEG2":"2693111.235","CTL_27dpi_Ret2_NEG3":"882856.4165","CTL_27dpi_Ret3_NEG1":"1854276.444","CTL_27dpi_Ret3_NEG2":"258873.3433","CTL_27dpi_Ret3_NEG3":"3920534.226","CX_12dpi_Ret1_NEG1":"361999.0938","CX_12dpi_Ret1_NEG2":"651719.9301","CX_12dpi_Ret1_NEG3":"233605.1557","CX_12dpi_Ret2_NEG1":"4975983.845","CX_12dpi_Ret2_NEG2":"2091898.575","CX_12dpi_Ret2_NEG3":"4935317.62","CX_27dpi_Ret1_NEG1":"1972791.598","CX_27dpi_Ret1_NEG2":"12200514.5","CX_27dpi_Ret1_NEG3":"1401077.587","CX_27dpi_Ret2_NEG1":"4498701.964","CX_27dpi_Ret2_NEG2":"1735290.129","CX_27dpi_Ret2_NEG3":"37031553.01","CX_27dpi_Ret3_NEG1":"10169038.3","CX_27dpi_Ret3_NEG2":"2143902.167","CX_27dpi_Ret3_NEG3":"3355968.882","Left_Ret_SHAM1_NEG1":"12572146.79","Left_Ret_SHAM1_NEG2":"4638215.921","Left_Ret_SHAM1_NEG3":"9168636.162","Left_Ret_SHAM2_NEG1":"4064958.224","Left_Ret_SHAM2_NEG2":"11587515.48","Left_Ret_SHAM2_NEG3":"74971.20497","Pooled_QC1_MS1_Ret_NEG1":"1615006.447","Pooled_QC1_MS1_Ret_NEG2":"4521303.024","Pooled_QC2_MS1_Ret_NEG1":"1335566.728","Pooled_QC2_MS1_Ret_NEG2":"5876436.202","Right_Ret_SHAM1_NEG1":"15890140.76","Right_Ret_SHAM1_NEG2":"5694636.158","Right_Ret_SHAM1_NEG3":"2860706.285","Right_Ret_SHAM2_NEG1":"253550.557","Right_Ret_SHAM2_NEG2":"213303.8693","Right_Ret_SHAM2_NEG3":"5388945.645","Blank_NEG1":"178542.8941","Blank_NEG2":"166706.4194","Blank_NEG3":"177742.2248"},{"Metabolite":"indanazoline","CTL_12dpi_Ret1_NEG1":"30857476.24","CTL_12dpi_Ret1_NEG2":"21524704.89","CTL_12dpi_Ret1_NEG3":"29770156.71","CTL_12dpi_Ret2_NEG1":"6763243.228","CTL_12dpi_Ret2_NEG2":"7325613.946","CTL_12dpi_Ret2_NEG3":"5647576.162","CTL_27dpi_Ret1_NEG1":"10299671.02","CTL_27dpi_Ret1_NEG2":"9189276.151","CTL_27dpi_Ret1_NEG3":"5137373.63","CTL_27dpi_Ret2_NEG1":"1883586.641","CTL_27dpi_Ret2_NEG2":"10819175.49","CTL_27dpi_Ret2_NEG3":"1553050.799","CTL_27dpi_Ret3_NEG1":"2891121.376","CTL_27dpi_Ret3_NEG2":"247149.8965","CTL_27dpi_Ret3_NEG3":"3183882.549","CX_12dpi_Ret1_NEG1":"5512670.6","CX_12dpi_Ret1_NEG2":"4677307.301","CX_12dpi_Ret1_NEG3":"177340.2177","CX_12dpi_Ret2_NEG1":"4248203.406","CX_12dpi_Ret2_NEG2":"1931015.749","CX_12dpi_Ret2_NEG3":"3390135.338","CX_27dpi_Ret1_NEG1":"9507060.474","CX_27dpi_Ret1_NEG2":"1285354.123","CX_27dpi_Ret1_NEG3":"1233927.895","CX_27dpi_Ret2_NEG1":"31159950.58","CX_27dpi_Ret2_NEG2":"3187257.395","CX_27dpi_Ret2_NEG3":"33632656.39","CX_27dpi_Ret3_NEG1":"1870968.902","CX_27dpi_Ret3_NEG2":"4226954.876","CX_27dpi_Ret3_NEG3":"852081.2754","Left_Ret_SHAM1_NEG1":"1965075.171","Left_Ret_SHAM1_NEG2":"2823062.639","Left_Ret_SHAM1_NEG3":"7566876.365","Left_Ret_SHAM2_NEG1":"3153339.422","Left_Ret_SHAM2_NEG2":"3129681.855","Left_Ret_SHAM2_NEG3":"176794.4704","Pooled_QC1_MS1_Ret_NEG1":"1982509.421","Pooled_QC1_MS1_Ret_NEG2":"3586195.255","Pooled_QC2_MS1_Ret_NEG1":"2191796.191","Pooled_QC2_MS1_Ret_NEG2":"5538879.806","Right_Ret_SHAM1_NEG1":"5526723.428","Right_Ret_SHAM1_NEG2":"4829582.376","Right_Ret_SHAM1_NEG3":"2187569.556","Right_Ret_SHAM2_NEG1":"212725.5458","Right_Ret_SHAM2_NEG2":"266952.5075","Right_Ret_SHAM2_NEG3":"3877636.906","Blank_NEG1":"934284.7177","Blank_NEG2":"224134.7634","Blank_NEG3":"199772.0992"},{"Metabolite":"meglumine","CTL_12dpi_Ret1_NEG1":"1112208.689","CTL_12dpi_Ret1_NEG2":"1580422.135","CTL_12dpi_Ret1_NEG3":"250375.7924","CTL_12dpi_Ret2_NEG1":"1782464.699","CTL_12dpi_Ret2_NEG2":"2088341.514","CTL_12dpi_Ret2_NEG3":"296801.1216","CTL_27dpi_Ret1_NEG1":"459874.2094","CTL_27dpi_Ret1_NEG2":"630929.0634","CTL_27dpi_Ret1_NEG3":"189388.3962","CTL_27dpi_Ret2_NEG1":"661462.8177","CTL_27dpi_Ret2_NEG2":"1601396.827","CTL_27dpi_Ret2_NEG3":"228447.6132","CTL_27dpi_Ret3_NEG1":"1134931.01","CTL_27dpi_Ret3_NEG2":"1330245.296","CTL_27dpi_Ret3_NEG3":"624655.5275","CX_12dpi_Ret1_NEG1":"36458983.1","CX_12dpi_Ret1_NEG2":"42832649.62","CX_12dpi_Ret1_NEG3":"469982.5845","CX_12dpi_Ret2_NEG1":"2239346.34","CX_12dpi_Ret2_NEG2":"4696683.575","CX_12dpi_Ret2_NEG3":"1103617.535","CX_27dpi_Ret1_NEG1":"1298542.055","CX_27dpi_Ret1_NEG2":"1058795.85","CX_27dpi_Ret1_NEG3":"267487.3779","CX_27dpi_Ret2_NEG1":"1055660.865","CX_27dpi_Ret2_NEG2":"1214384.336","CX_27dpi_Ret2_NEG3":"350352.5974","CX_27dpi_Ret3_NEG1":"802025.6382","CX_27dpi_Ret3_NEG2":"451752.7357","CX_27dpi_Ret3_NEG3":"1217513.829","Left_Ret_SHAM1_NEG1":"324390.2951","Left_Ret_SHAM1_NEG2":"689047.6221","Left_Ret_SHAM1_NEG3":"240665.5728","Left_Ret_SHAM2_NEG1":"28114525.95","Left_Ret_SHAM2_NEG2":"837849.009","Left_Ret_SHAM2_NEG3":"409483.6212","Pooled_QC1_MS1_Ret_NEG1":"4386065.138","Pooled_QC1_MS1_Ret_NEG2":"2696044.363","Pooled_QC2_MS1_Ret_NEG1":"6652741.931","Pooled_QC2_MS1_Ret_NEG2":"2753489.067","Right_Ret_SHAM1_NEG1":"1463060.175","Right_Ret_SHAM1_NEG2":"2165853.117","Right_Ret_SHAM1_NEG3":"858928.247","Right_Ret_SHAM2_NEG1":"41869570.11","Right_Ret_SHAM2_NEG2":"67405654.42","Right_Ret_SHAM2_NEG3":"362583.336","Blank_NEG1":"6347.613242","Blank_NEG2":"8711.182979","Blank_NEG3":"11813.86497"},{"Metabolite":"Myristyl sulfate","CTL_12dpi_Ret1_NEG1":"370863.3171","CTL_12dpi_Ret1_NEG2":"560154.6876","CTL_12dpi_Ret1_NEG3":"126853.6011","CTL_12dpi_Ret2_NEG1":"906202.8047","CTL_12dpi_Ret2_NEG2":"232604.9288","CTL_12dpi_Ret2_NEG3":"163913.6784","CTL_27dpi_Ret1_NEG1":"272282.3894","CTL_27dpi_Ret1_NEG2":"270928.6472","CTL_27dpi_Ret1_NEG3":"161686.4886","CTL_27dpi_Ret2_NEG1":"659140.162","CTL_27dpi_Ret2_NEG2":"450912.0617","CTL_27dpi_Ret2_NEG3":"155328.8969","CTL_27dpi_Ret3_NEG1":"10753.40283","CTL_27dpi_Ret3_NEG2":"21441.47785","CTL_27dpi_Ret3_NEG3":"115183.29","CX_12dpi_Ret1_NEG1":"1553720.24","CX_12dpi_Ret1_NEG2":"1438758.341","CX_12dpi_Ret1_NEG3":"39070.20051","CX_12dpi_Ret2_NEG1":"175695.8627","CX_12dpi_Ret2_NEG2":"185664.2908","CX_12dpi_Ret2_NEG3":"252878.2247","CX_27dpi_Ret1_NEG1":"356932.4545","CX_27dpi_Ret1_NEG2":"323488.8405","CX_27dpi_Ret1_NEG3":"222738.5173","CX_27dpi_Ret2_NEG1":"645016.5502","CX_27dpi_Ret2_NEG2":"527023.2994","CX_27dpi_Ret2_NEG3":"100274.5614","CX_27dpi_Ret3_NEG1":"279133.1583","CX_27dpi_Ret3_NEG2":"162620.1881","CX_27dpi_Ret3_NEG3":"76550.11384","Left_Ret_SHAM1_NEG1":"304931.2688","Left_Ret_SHAM1_NEG2":"938241.9167","Left_Ret_SHAM1_NEG3":"186950.5278","Left_Ret_SHAM2_NEG1":"302110.6719","Left_Ret_SHAM2_NEG2":"509426.2471","Left_Ret_SHAM2_NEG3":"14337.60712","Pooled_QC1_MS1_Ret_NEG1":"677579.7625","Pooled_QC1_MS1_Ret_NEG2":"355596.9688","Pooled_QC2_MS1_Ret_NEG1":"2834295.124","Pooled_QC2_MS1_Ret_NEG2":"416859.8382","Right_Ret_SHAM1_NEG1":"636912.2193","Right_Ret_SHAM1_NEG2":"1153239.956","Right_Ret_SHAM1_NEG3":"95375.16974","Right_Ret_SHAM2_NEG1":"67325.84859","Right_Ret_SHAM2_NEG2":"42791.52812","Right_Ret_SHAM2_NEG3":"118031.9124","Blank_NEG1":"160172.6872","Blank_NEG2":"18052.87722","Blank_NEG3":"4628.04738"},{"Metabolite":"NP-012534","CTL_12dpi_Ret1_NEG1":"3361693.778","CTL_12dpi_Ret1_NEG2":"1727419.147","CTL_12dpi_Ret1_NEG3":"431740.5988","CTL_12dpi_Ret2_NEG1":"39297843.93","CTL_12dpi_Ret2_NEG2":"7350343.554","CTL_12dpi_Ret2_NEG3":"554476.8625","CTL_27dpi_Ret1_NEG1":"3150530.395","CTL_27dpi_Ret1_NEG2":"2418076.428","CTL_27dpi_Ret1_NEG3":"349707.1915","CTL_27dpi_Ret2_NEG1":"7282663.405","CTL_27dpi_Ret2_NEG2":"11088899.79","CTL_27dpi_Ret2_NEG3":"332858.5152","CTL_27dpi_Ret3_NEG1":"44353.15789","CTL_27dpi_Ret3_NEG2":"335447.8671","CTL_27dpi_Ret3_NEG3":"460971.0276","CX_12dpi_Ret1_NEG1":"18887778.03","CX_12dpi_Ret1_NEG2":"20846178.38","CX_12dpi_Ret1_NEG3":"130768.5457","CX_12dpi_Ret2_NEG1":"15458310.95","CX_12dpi_Ret2_NEG2":"14017858.57","CX_12dpi_Ret2_NEG3":"8720637.439","CX_27dpi_Ret1_NEG1":"7019430.737","CX_27dpi_Ret1_NEG2":"912968.1511","CX_27dpi_Ret1_NEG3":"317554.3954","CX_27dpi_Ret2_NEG1":"23409984.53","CX_27dpi_Ret2_NEG2":"12146747.77","CX_27dpi_Ret2_NEG3":"3523794.724","CX_27dpi_Ret3_NEG1":"2380689.958","CX_27dpi_Ret3_NEG2":"1577755.926","CX_27dpi_Ret3_NEG3":"675102.5925","Left_Ret_SHAM1_NEG1":"12136243.63","Left_Ret_SHAM1_NEG2":"33822508.38","Left_Ret_SHAM1_NEG3":"2138969.463","Left_Ret_SHAM2_NEG1":"6791770.59","Left_Ret_SHAM2_NEG2":"20179089.62","Left_Ret_SHAM2_NEG3":"58887.35947","Pooled_QC1_MS1_Ret_NEG1":"35121390.79","Pooled_QC1_MS1_Ret_NEG2":"8405992.219","Pooled_QC2_MS1_Ret_NEG1":"46058304.93","Pooled_QC2_MS1_Ret_NEG2":"14034588.46","Right_Ret_SHAM1_NEG1":"15121125.02","Right_Ret_SHAM1_NEG2":"10004299.89","Right_Ret_SHAM1_NEG3":"229775.6703","Right_Ret_SHAM2_NEG1":"957477.2897","Right_Ret_SHAM2_NEG2":"58819.35645","Right_Ret_SHAM2_NEG3":"698519.0613","Blank_NEG1":"2645739.372","Blank_NEG2":"293404.3072","Blank_NEG3":"280505.171"},{"Metabolite":"tolonidine","CTL_12dpi_Ret1_NEG1":"25650032.68","CTL_12dpi_Ret1_NEG2":"35575696.9","CTL_12dpi_Ret1_NEG3":"21910267","CTL_12dpi_Ret2_NEG1":"53736246.47","CTL_12dpi_Ret2_NEG2":"61936770.82","CTL_12dpi_Ret2_NEG3":"39075765.25","CTL_27dpi_Ret1_NEG1":"116112396.8","CTL_27dpi_Ret1_NEG2":"32092967.51","CTL_27dpi_Ret1_NEG3":"61820752.24","CTL_27dpi_Ret2_NEG1":"124885843.3","CTL_27dpi_Ret2_NEG2":"81009174.25","CTL_27dpi_Ret2_NEG3":"70499623.77","CTL_27dpi_Ret3_NEG1":"27392208.99","CTL_27dpi_Ret3_NEG2":"2357081.968","CTL_27dpi_Ret3_NEG3":"34780726.4","CX_12dpi_Ret1_NEG1":"10647255.79","CX_12dpi_Ret1_NEG2":"7261304.264","CX_12dpi_Ret1_NEG3":"2639709.063","CX_12dpi_Ret2_NEG1":"37077704.17","CX_12dpi_Ret2_NEG2":"20116294.15","CX_12dpi_Ret2_NEG3":"35252663.66","CX_27dpi_Ret1_NEG1":"105659805.5","CX_27dpi_Ret1_NEG2":"117519529.5","CX_27dpi_Ret1_NEG3":"79749671.39","CX_27dpi_Ret2_NEG1":"115289788.3","CX_27dpi_Ret2_NEG2":"112704103.5","CX_27dpi_Ret2_NEG3":"162725738.7","CX_27dpi_Ret3_NEG1":"122322793.1","CX_27dpi_Ret3_NEG2":"69244092.7","CX_27dpi_Ret3_NEG3":"13680296.5","Left_Ret_SHAM1_NEG1":"210330887.8","Left_Ret_SHAM1_NEG2":"100333594","Left_Ret_SHAM1_NEG3":"78471732.04","Left_Ret_SHAM2_NEG1":"35765085.03","Left_Ret_SHAM2_NEG2":"346625313.2","Left_Ret_SHAM2_NEG3":"1885902.18","Pooled_QC1_MS1_Ret_NEG1":"15384121.79","Pooled_QC1_MS1_Ret_NEG2":"43791919.59","Pooled_QC2_MS1_Ret_NEG1":"19363537.93","Pooled_QC2_MS1_Ret_NEG2":"49554192.99","Right_Ret_SHAM1_NEG1":"172318466.7","Right_Ret_SHAM1_NEG2":"60059194.68","Right_Ret_SHAM1_NEG3":"28478301.05","Right_Ret_SHAM2_NEG1":"2584278.114","Right_Ret_SHAM2_NEG2":"2895690.414","Right_Ret_SHAM2_NEG3":"53295116.69","Blank_NEG1":"1325416.667","Blank_NEG2":"1181107.548","Blank_NEG3":"1141484.235"},{"Metabolite":"tramazoline","CTL_12dpi_Ret1_NEG1":"76478301.79","CTL_12dpi_Ret1_NEG2":"61873468.88","CTL_12dpi_Ret1_NEG3":"53540700.72","CTL_12dpi_Ret2_NEG1":"26762972.32","CTL_12dpi_Ret2_NEG2":"20698511.98","CTL_12dpi_Ret2_NEG3":"25088691.2","CTL_27dpi_Ret1_NEG1":"13978832.51","CTL_27dpi_Ret1_NEG2":"13728044.34","CTL_27dpi_Ret1_NEG3":"26130670.28","CTL_27dpi_Ret2_NEG1":"12264989.5","CTL_27dpi_Ret2_NEG2":"4407470.577","CTL_27dpi_Ret2_NEG3":"2633084.302","CTL_27dpi_Ret3_NEG1":"35237795.03","CTL_27dpi_Ret3_NEG2":"30348679.61","CTL_27dpi_Ret3_NEG3":"43159754.15","CX_12dpi_Ret1_NEG1":"23272607.56","CX_12dpi_Ret1_NEG2":"23811941.49","CX_12dpi_Ret1_NEG3":"17433964.01","CX_12dpi_Ret2_NEG1":"29660696.84","CX_12dpi_Ret2_NEG2":"48293921.77","CX_12dpi_Ret2_NEG3":"32917704.82","CX_27dpi_Ret1_NEG1":"7640266.395","CX_27dpi_Ret1_NEG2":"15067424.53","CX_27dpi_Ret1_NEG3":"11102379.77","CX_27dpi_Ret2_NEG1":"45151149.14","CX_27dpi_Ret2_NEG2":"15642788.12","CX_27dpi_Ret2_NEG3":"49885313.15","CX_27dpi_Ret3_NEG1":"7237259.128","CX_27dpi_Ret3_NEG2":"14322771.06","CX_27dpi_Ret3_NEG3":"67534837.12","Left_Ret_SHAM1_NEG1":"12403880.97","Left_Ret_SHAM1_NEG2":"3130914.524","Left_Ret_SHAM1_NEG3":"11206554.8","Left_Ret_SHAM2_NEG1":"53695152.56","Left_Ret_SHAM2_NEG2":"12433425.42","Left_Ret_SHAM2_NEG3":"6546854.065","Pooled_QC1_MS1_Ret_NEG1":"40131201.56","Pooled_QC1_MS1_Ret_NEG2":"100671783.5","Pooled_QC2_MS1_Ret_NEG1":"47510661.06","Pooled_QC2_MS1_Ret_NEG2":"53909931.46","Right_Ret_SHAM1_NEG1":"16089384.53","Right_Ret_SHAM1_NEG2":"36314382.18","Right_Ret_SHAM1_NEG3":"26616522.93","Right_Ret_SHAM2_NEG1":"32691290.45","Right_Ret_SHAM2_NEG2":"43859839.12","Right_Ret_SHAM2_NEG3":"32684755.38","Blank_NEG1":"1821385.244","Blank_NEG2":"2622704.759","Blank_NEG3":"2769813.344"},{"Metabolite":"Xanthine","CTL_12dpi_Ret1_NEG1":"26892605.52","CTL_12dpi_Ret1_NEG2":"8203759.383","CTL_12dpi_Ret1_NEG3":"35791.18769","CTL_12dpi_Ret2_NEG1":"13828745.49","CTL_12dpi_Ret2_NEG2":"12344745.91","CTL_12dpi_Ret2_NEG3":"54456.55618","CTL_27dpi_Ret1_NEG1":"10189405","CTL_27dpi_Ret1_NEG2":"2434511.3","CTL_27dpi_Ret1_NEG3":"66591.61886","CTL_27dpi_Ret2_NEG1":"20415095.72","CTL_27dpi_Ret2_NEG2":"6541469.162","CTL_27dpi_Ret2_NEG3":"92282.20532","CTL_27dpi_Ret3_NEG1":"52729.97538","CTL_27dpi_Ret3_NEG2":"80784.27813","CTL_27dpi_Ret3_NEG3":"77910.00099","CX_12dpi_Ret1_NEG1":"47577677.11","CX_12dpi_Ret1_NEG2":"23321513.89","CX_12dpi_Ret1_NEG3":"122868.1749","CX_12dpi_Ret2_NEG1":"2947729.934","CX_12dpi_Ret2_NEG2":"1974196.064","CX_12dpi_Ret2_NEG3":"1059146.997","CX_27dpi_Ret1_NEG1":"2473756.916","CX_27dpi_Ret1_NEG2":"1611217.042","CX_27dpi_Ret1_NEG3":"69905.47067","CX_27dpi_Ret2_NEG1":"7523946.294","CX_27dpi_Ret2_NEG2":"18273202.34","CX_27dpi_Ret2_NEG3":"76409.12052","CX_27dpi_Ret3_NEG1":"3117904.791","CX_27dpi_Ret3_NEG2":"4331749.59","CX_27dpi_Ret3_NEG3":"19615.99183","Left_Ret_SHAM1_NEG1":"34910867.31","Left_Ret_SHAM1_NEG2":"18725985.41","Left_Ret_SHAM1_NEG3":"57073.41554","Left_Ret_SHAM2_NEG1":"8301958.387","Left_Ret_SHAM2_NEG2":"22409351.89","Left_Ret_SHAM2_NEG3":"87195.97223","Pooled_QC1_MS1_Ret_NEG1":"6877491.954","Pooled_QC1_MS1_Ret_NEG2":"12600867.04","Pooled_QC2_MS1_Ret_NEG1":"9284921.017","Pooled_QC2_MS1_Ret_NEG2":"10444568.27","Right_Ret_SHAM1_NEG1":"26529321.96","Right_Ret_SHAM1_NEG2":"1401660.759","Right_Ret_SHAM1_NEG3":"105196.9752","Right_Ret_SHAM2_NEG1":"6907789.033","Right_Ret_SHAM2_NEG2":"4083400.275","Right_Ret_SHAM2_NEG3":"227264.532","Blank_NEG1":"45092.30591","Blank_NEG2":"23856.65493","Blank_NEG3":"2802.428855"},{"Metabolite":"Zonisamide","CTL_12dpi_Ret1_NEG1":"449797.8011","CTL_12dpi_Ret1_NEG2":"532139.5273","CTL_12dpi_Ret1_NEG3":"156739.3672","CTL_12dpi_Ret2_NEG1":"11787953.64","CTL_12dpi_Ret2_NEG2":"9975147.705","CTL_12dpi_Ret2_NEG3":"219339.8851","CTL_27dpi_Ret1_NEG1":"518797.9502","CTL_27dpi_Ret1_NEG2":"734242.0763","CTL_27dpi_Ret1_NEG3":"176150.5014","CTL_27dpi_Ret2_NEG1":"1057094.466","CTL_27dpi_Ret2_NEG2":"2657531.273","CTL_27dpi_Ret2_NEG3":"173423.0857","CTL_27dpi_Ret3_NEG1":"86225.7731","CTL_27dpi_Ret3_NEG2":"18904.51868","CTL_27dpi_Ret3_NEG3":"142319.6175","CX_12dpi_Ret1_NEG1":"1433901.295","CX_12dpi_Ret1_NEG2":"322328.3309","CX_12dpi_Ret1_NEG3":"34850.71804","CX_12dpi_Ret2_NEG1":"391592.7863","CX_12dpi_Ret2_NEG2":"108508.4418","CX_12dpi_Ret2_NEG3":"515129.1626","CX_27dpi_Ret1_NEG1":"595782.9175","CX_27dpi_Ret1_NEG2":"399700.4084","CX_27dpi_Ret1_NEG3":"279825.5449","CX_27dpi_Ret2_NEG1":"3415770.047","CX_27dpi_Ret2_NEG2":"825336.5147","CX_27dpi_Ret2_NEG3":"188315.274","CX_27dpi_Ret3_NEG1":"344894.857","CX_27dpi_Ret3_NEG2":"233329.5093","CX_27dpi_Ret3_NEG3":"94584.75206","Left_Ret_SHAM1_NEG1":"408193.4518","Left_Ret_SHAM1_NEG2":"1864092.106","Left_Ret_SHAM1_NEG3":"230994.6835","Left_Ret_SHAM2_NEG1":"971246.5075","Left_Ret_SHAM2_NEG2":"1012331.294","Left_Ret_SHAM2_NEG3":"23142.71051","Pooled_QC1_MS1_Ret_NEG1":"1409179.657","Pooled_QC1_MS1_Ret_NEG2":"1093024.438","Pooled_QC2_MS1_Ret_NEG1":"5114767.456","Pooled_QC2_MS1_Ret_NEG2":"2878956.898","Right_Ret_SHAM1_NEG1":"876056.3818","Right_Ret_SHAM1_NEG2":"949427.0674","Right_Ret_SHAM1_NEG3":"144064.157","Right_Ret_SHAM2_NEG1":"905254.0964","Right_Ret_SHAM2_NEG2":"240062.6807","Right_Ret_SHAM2_NEG3":"162363.212","Blank_NEG1":"197908.1826","Blank_NEG2":"6822.0159","Blank_NEG3":"5463.934664"}],

"Metabolites":[{"Metabolite":"1D-chiro-inositol","Calc. MW":"180.063045","m/z":"202.058515","RT [min]":"5.444"},{"Metabolite":"1-Methoxypyrene","Calc. MW":"232.08886","m/z":"231.08158","RT [min]":"5.684"},{"Metabolite":"Allopurinol","Calc. MW":"136.03749","m/z":"135.03014","RT [min]":"2.696"},{"Metabolite":"Didanosine","Calc. MW":"236.090874","m/z":"235.083598","RT [min]":"5.4368"},{"Metabolite":"Imafen","Calc. MW":"187.110475","m/z":"186.103135","RT [min]":"12.4355"},{"Metabolite":"indanazoline","Calc. MW":"201.126225","m/z":"200.118865","RT [min]":"13.516"},{"Metabolite":"meglumine","Calc. MW":"195.11012","m/z":"194.10284","RT [min]":"4.527"},{"Metabolite":"Myristyl sulfate","Calc. MW":"294.18685","m/z":"293.17958","RT [min]":"0.948"},{"Metabolite":"NP-012534","Calc. MW":"266.15537","m/z":"265.14809","RT [min]":"0.954"},{"Metabolite":"tolonidine","Calc. MW":"209.07151","m/z":"208.06424","RT [min]":"13.735"},{"Metabolite":"tramazoline","Calc. MW":"215.1420833","m/z":"214.1347","RT [min]":"9.996"},{"Metabolite":"Xanthine","Calc. MW":"152.03273","m/z":"151.02546","RT [min]":"3.48"},{"Metabolite":"Zonisamide","Calc. MW":"212.02521","m/z":"211.01794","RT [min]":"0.917"}]
}

}