{
"METABOLOMICS WORKBENCH":{"STUDY_ID":"ST002551","ANALYSIS_ID":"AN004200","VERSION":"1","CREATED_ON":"April 9, 2023, 10:35 pm"},

"PROJECT":{"PROJECT_TITLE":"Metabolomics dataset of CNTF induced axon regeneration in mice post optic nerve crush","PROJECT_SUMMARY":"Untargeted metabolomics of AAV_CNTF mice at 7 days and 14 days post-crush, and AAV_Green Lantern mice at 7 days and 14 days post-crush. Both genders included. Metabolites were extracted in serial extraction method: 1) 1:1 Methanol/H2O; 2) 8:1:1 Acetonitrile/Methanol/Acetone. Metabolites were separated using hydrophilic interaction liquid chromatography (HILIC) and run on a Q Exactive mass spectrometer in both positive and negative modes.","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":"Metabolomics dataset of CNTF induced axon regeneration in mice post optic nerve crush","STUDY_SUMMARY":"Axons are processes or extensions of a neuron that help connect one neuron with the next. In the eye all retinal ganglion cells (RGCs) reside within the retina but their axons travel a very long distance traversing through the optic nerve they connect with other neurons in the lateral geniculate nucleus in the brain. Loss of axons results in blindness in glaucoma and traumatic optic neuropathies. Optic nerve crush (ONC) is mouse is an assay system that enable pharmacological induction of axon regeneration from existing RGCs. Lipids form the outer boundary of axons, their synthesis or alterations are associated with metabolite changes. Our motivation was to understand what metabolite changes occurred when ONC axons regenerated due to ciliary neurotrophic factor (CNTF) treatment. We found metabolite profile changes associated with regeneration after crush induced by CNTF. This metabolite dataset was collected from C57Bl/6 mice expressing either AAV2-CNTF to promote regeneration or AAV2-Green Lantern as a control. Animals were subjected to optic nerve crush injury and allowed to recover for either 7 days or 14 days. At the respective time points, animals were euthanized and optic nerves were collected. Nerves underwent two rounds of extraction using a Precellys 24 Touch Homogenizer and a two solvent system of 1:1 Methanol/Water and 8:1:1 Acetonitrile/Methanol/Acetone. Metabolites were analyzed by untargeted liquid chromatography-mass spectrometry (LC MS-MS) using a Vanquish Horizon Binary HPLC coupled to a Q Exactive Orbitrap mass spectrometer. Metabolites were identified using Compound Discoverer 3.3 and quantified using 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","NUM_GROUPS":"4","TOTAL_SUBJECTS":"23","PHONE":"3054824103"},

"SUBJECT":{"SUBJECT_TYPE":"Mammal","SUBJECT_SPECIES":"Mus musculus","TAXONOMY_ID":"10090","GENDER":"Male and female"},
"SUBJECT_SAMPLE_FACTORS":[
{
"Subject ID":"Blank",
"Sample ID":"System_Suitability_Blank_POS",
"Factors":{"Treatment":"N/A"},
"Additional sample data":{"RAW_FILE_NAME":"System_Suitability_Blank_POS.mzXML"}
},
{
"Subject ID":"QC",
"Sample ID":"QC1_POS",
"Factors":{"Treatment":"N/A"},
"Additional sample data":{"RAW_FILE_NAME":"QC1_POS.mzXML"}
},
{
"Subject ID":"Blank",
"Sample ID":"Extraction_Blank_1_POS",
"Factors":{"Treatment":"N/A"},
"Additional sample data":{"RAW_FILE_NAME":"Extraction_Blank_1_POS.mzXML"}
},
{
"Subject ID":"QC",
"Sample ID":"Pooled_QC1_POS",
"Factors":{"Treatment":"N/A"},
"Additional sample data":{"RAW_FILE_NAME":"Pooled_QC1_POS.mzXML"}
},
{
"Subject ID":"QC",
"Sample ID":"Pooled_QC2_POS",
"Factors":{"Treatment":"N/A"},
"Additional sample data":{"RAW_FILE_NAME":"Pooled_QC2_POS.mzXML"}
},
{
"Subject ID":"QC",
"Sample ID":"Pooled_QC_MS2_1_POS",
"Factors":{"Treatment":"N/A"},
"Additional sample data":{"RAW_FILE_NAME":"Pooled_QC_MS2_1_POS.mzXML"}
},
{
"Subject ID":"QC",
"Sample ID":"Pooled_QC_MS2_2_POS",
"Factors":{"Treatment":"N/A"},
"Additional sample data":{"RAW_FILE_NAME":"Pooled_QC_MS2_2_POS.mzXML"}
},
{
"Subject ID":"Sample",
"Sample ID":"180968_1_GREENL_CTL_OD_7dpi_POS",
"Factors":{"Treatment":"Control"},
"Additional sample data":{"RAW_FILE_NAME":"180968_1_GREENL_CTL_OD_7dpi_POS.mzXML"}
},
{
"Subject ID":"Sample",
"Sample ID":"180968_2_GREENL_CTL_OD_7dpi_POS",
"Factors":{"Treatment":"Control"},
"Additional sample data":{"RAW_FILE_NAME":"180968_2_GREENL_CTL_OD_7dpi_POS.mzXML"}
},
{
"Subject ID":"Sample",
"Sample ID":"180968_3_GREENL_CTL_OD_7dpi_POS",
"Factors":{"Treatment":"Control"},
"Additional sample data":{"RAW_FILE_NAME":"180968_3_GREENL_CTL_OD_7dpi_POS.mzXML"}
},
{
"Subject ID":"Sample",
"Sample ID":"180968_1_GREENL_ONC_OS_7dpi_POS",
"Factors":{"Treatment":"Crush"},
"Additional sample data":{"RAW_FILE_NAME":"180968_1_GREENL_ONC_OS_7dpi_POS.mzXML"}
},
{
"Subject ID":"Sample",
"Sample ID":"180968_2_GREENL_ONC_OS_7dpi_POS",
"Factors":{"Treatment":"Crush"},
"Additional sample data":{"RAW_FILE_NAME":"180968_2_GREENL_ONC_OS_7dpi_POS.mzXML"}
},
{
"Subject ID":"Sample",
"Sample ID":"180968_3_GREENL_ONC_OS_7dpi_POS",
"Factors":{"Treatment":"Crush"},
"Additional sample data":{"RAW_FILE_NAME":"180968_3_GREENL_ONC_OS_7dpi_POS.mzXML"}
},
{
"Subject ID":"Sample",
"Sample ID":"180969_1_CNTF_CTL_OD_7dpi_POS",
"Factors":{"Treatment":"Control"},
"Additional sample data":{"RAW_FILE_NAME":"180969_1_CNTF_CTL_OD_7dpi_POS.mzXML"}
},
{
"Subject ID":"Sample",
"Sample ID":"180969_3_CNTF_CTL_OD_7dpi_POS",
"Factors":{"Treatment":"Control"},
"Additional sample data":{"RAW_FILE_NAME":"180969_3_CNTF_CTL_OD_7dpi_POS.mzXML"}
},
{
"Subject ID":"Sample",
"Sample ID":"180969_2_CNTF_CTL_OD_7dpi_POS",
"Factors":{"Treatment":"Control"},
"Additional sample data":{"RAW_FILE_NAME":"180969_2_CNTF_CTL_OD_7dpi_POS.mzXML"}
},
{
"Subject ID":"Sample",
"Sample ID":"180969_1_CNTF_ONC_OS_7dpi_POS",
"Factors":{"Treatment":"Crush"},
"Additional sample data":{"RAW_FILE_NAME":"180969_1_CNTF_ONC_OS_7dpi_POS.mzXML"}
},
{
"Subject ID":"QC",
"Sample ID":"Pooled_QC3_POS",
"Factors":{"Treatment":"N/A"},
"Additional sample data":{"RAW_FILE_NAME":"Pooled_QC3_POS.mzXML"}
},
{
"Subject ID":"Sample",
"Sample ID":"180969_2_CNTF_ONC_OS_7dpi_POS",
"Factors":{"Treatment":"Crush"},
"Additional sample data":{"RAW_FILE_NAME":"180969_2_CNTF_ONC_OS_7dpi_POS.mzXML"}
},
{
"Subject ID":"Sample",
"Sample ID":"180969_3_CNTF_ONC_OS_7dpi_POS",
"Factors":{"Treatment":"Crush"},
"Additional sample data":{"RAW_FILE_NAME":"180969_3_CNTF_ONC_OS_7dpi_POS.mzXML"}
},
{
"Subject ID":"Sample",
"Sample ID":"159200_1_GREENL_CTL_OD_14dpi_POS",
"Factors":{"Treatment":"Control"},
"Additional sample data":{"RAW_FILE_NAME":"159200_1_GREENL_CTL_OD_14dpi_POS.mzXML"}
},
{
"Subject ID":"Sample",
"Sample ID":"175516_2_GREENL_CTL_OD_14dpi_POS",
"Factors":{"Treatment":"Control"},
"Additional sample data":{"RAW_FILE_NAME":"175516_2_GREENL_CTL_OD_14dpi_POS.mzXML"}
},
{
"Subject ID":"Sample",
"Sample ID":"159200_3_GREENL_CTL_OD_14dpi_POS",
"Factors":{"Treatment":"Control"},
"Additional sample data":{"RAW_FILE_NAME":"159200_3_GREENL_CTL_OD_14dpi_POS.mzXML"}
},
{
"Subject ID":"Sample",
"Sample ID":"175516_1_GREENL_ONC_OS_14dpi_POS",
"Factors":{"Treatment":"Crush"},
"Additional sample data":{"RAW_FILE_NAME":"175516_1_GREENL_ONC_OS_14dpi_POS.mzXML"}
},
{
"Subject ID":"Sample",
"Sample ID":"159200_2_GREENL_ONC_OS_14dpi_POS",
"Factors":{"Treatment":"Crush"},
"Additional sample data":{"RAW_FILE_NAME":"159200_2_GREENL_ONC_OS_14dpi_POS.mzXML"}
},
{
"Subject ID":"Sample",
"Sample ID":"159200_3_GREENL_ONC_OS_14dpi_POS",
"Factors":{"Treatment":"Crush"},
"Additional sample data":{"RAW_FILE_NAME":"159200_3_GREENL_ONC_OS_14dpi_POS.mzXML"}
},
{
"Subject ID":"Sample",
"Sample ID":"159201_1_CNTF_CTL_OD_14dpi_POS",
"Factors":{"Treatment":"Control"},
"Additional sample data":{"RAW_FILE_NAME":"159201_1_CNTF_CTL_OD_14dpi_POS.mzXML"}
},
{
"Subject ID":"Sample",
"Sample ID":"158618_2_CNTF_CTL_OD_14dpi_POS",
"Factors":{"Treatment":"Control"},
"Additional sample data":{"RAW_FILE_NAME":"158618_2_CNTF_CTL_OD_14dpi_POS.mzXML"}
},
{
"Subject ID":"QC",
"Sample ID":"Pooled_QC_4_POS",
"Factors":{"Treatment":"N/A"},
"Additional sample data":{"RAW_FILE_NAME":"Pooled_QC_4_POS.mzXML"}
},
{
"Subject ID":"Sample",
"Sample ID":"159201_3_CNTF_CTL_OD_14dpi_POS",
"Factors":{"Treatment":"Control"},
"Additional sample data":{"RAW_FILE_NAME":"159201_3_CNTF_CTL_OD_14dpi_POS.mzXML"}
},
{
"Subject ID":"Sample",
"Sample ID":"158618_1_CNTF_ONC_OS_14dpi_POS",
"Factors":{"Treatment":"Crush"},
"Additional sample data":{"RAW_FILE_NAME":"158618_1_CNTF_ONC_OS_14dpi_POS.mzXML"}
},
{
"Subject ID":"Sample",
"Sample ID":"159201_2_CNTF_ONC_OS_14dpi_POS",
"Factors":{"Treatment":"Crush"},
"Additional sample data":{"RAW_FILE_NAME":"159201_2_CNTF_ONC_OS_14dpi_POS.mzXML"}
},
{
"Subject ID":"Sample",
"Sample ID":"159201_3_CNTF_ONC_OS_14dpi_POS",
"Factors":{"Treatment":"Crush"},
"Additional sample data":{"RAW_FILE_NAME":"159201_3_CNTF_ONC_OS_14dpi_POS.mzXML"}
},
{
"Subject ID":"QC",
"Sample ID":"Pooled_QC_5_POS",
"Factors":{"Treatment":"N/A"},
"Additional sample data":{"RAW_FILE_NAME":"Pooled_QC_5_POS.mzXML"}
},
{
"Subject ID":"Blank",
"Sample ID":"Extraction_Blank_2_POS",
"Factors":{"Treatment":"N/A"},
"Additional sample data":{"RAW_FILE_NAME":"Extraction_Blank_2_POS.mzXML"}
},
{
"Subject ID":"QC",
"Sample ID":"Pooled_QC_MS2_3_POS",
"Factors":{"Treatment":"N/A"},
"Additional sample data":{"RAW_FILE_NAME":"Pooled_QC_MS2_3_POS.mzXML"}
},
{
"Subject ID":"QC",
"Sample ID":"Pooled_QC_MS2_4_POS",
"Factors":{"Treatment":"N/A"},
"Additional sample data":{"RAW_FILE_NAME":"Pooled_QC_MS2_4_POS.mzXML"}
},
{
"Subject ID":"Blank",
"Sample ID":"System_Suitability_Blank_2_POS",
"Factors":{"Treatment":"N/A"},
"Additional sample data":{"RAW_FILE_NAME":"System_Suitability_Blank_2_POS.mzXML"}
},
{
"Subject ID":"Blank",
"Sample ID":"System_Suitability_Blank_NEG",
"Factors":{"Treatment":"N/A"},
"Additional sample data":{"RAW_FILE_NAME":"System_Suitability_Blank_NEG.mzXML"}
},
{
"Subject ID":"QC",
"Sample ID":"QC1_NEG",
"Factors":{"Treatment":"N/A"},
"Additional sample data":{"RAW_FILE_NAME":"QC1_NEG.mzXML"}
},
{
"Subject ID":"Blank",
"Sample ID":"Extraction_Blank_1_NEG",
"Factors":{"Treatment":"N/A"},
"Additional sample data":{"RAW_FILE_NAME":"Extraction_Blank_1_NEG.mzXML"}
},
{
"Subject ID":"QC",
"Sample ID":"Pooled_QC1_NEG",
"Factors":{"Treatment":"N/A"},
"Additional sample data":{"RAW_FILE_NAME":"Pooled_QC1_NEG.mzXML"}
},
{
"Subject ID":"QC",
"Sample ID":"Pooled_QC2_NEG",
"Factors":{"Treatment":"N/A"},
"Additional sample data":{"RAW_FILE_NAME":"Pooled_QC2_NEG.mzXML"}
},
{
"Subject ID":"Sample",
"Sample ID":"180968_1_GREENL_CTL_OD_7dpi_NEG",
"Factors":{"Treatment":"Control"},
"Additional sample data":{"RAW_FILE_NAME":"180968_1_GREENL_CTL_OD_7dpi_NEG.mzXML"}
},
{
"Subject ID":"Sample",
"Sample ID":"180968_2_GREENL_CTL_OD_7dpi_NEG",
"Factors":{"Treatment":"Control"},
"Additional sample data":{"RAW_FILE_NAME":"180968_2_GREENL_CTL_OD_7dpi_NEG.mzXML"}
},
{
"Subject ID":"Sample",
"Sample ID":"180968_3_GREENL_CTL_OD_7dpi_NEG",
"Factors":{"Treatment":"Control"},
"Additional sample data":{"RAW_FILE_NAME":"180968_3_GREENL_CTL_OD_7dpi_NEG.mzXML"}
},
{
"Subject ID":"Sample",
"Sample ID":"180968_1_GREENL_ONC_OS_7dpi_NEG",
"Factors":{"Treatment":"Crush"},
"Additional sample data":{"RAW_FILE_NAME":"180968_1_GREENL_ONC_OS_7dpi_NEG.mzXML"}
},
{
"Subject ID":"Sample",
"Sample ID":"180968_2_GREENL_ONC_OS_7dpi_NEG",
"Factors":{"Treatment":"Crush"},
"Additional sample data":{"RAW_FILE_NAME":"180968_2_GREENL_ONC_OS_7dpi_NEG.mzXML"}
},
{
"Subject ID":"Sample",
"Sample ID":"180968_3_GREENL_ONC_OS_7dpi_NEG",
"Factors":{"Treatment":"Crush"},
"Additional sample data":{"RAW_FILE_NAME":"180968_3_GREENL_ONC_OS_7dpi_NEG.mzXML"}
},
{
"Subject ID":"Sample",
"Sample ID":"180969_1_CNTF_CTL_OD_7dpi_NEG",
"Factors":{"Treatment":"Control"},
"Additional sample data":{"RAW_FILE_NAME":"180969_1_CNTF_CTL_OD_7dpi_NEG.mzXML"}
},
{
"Subject ID":"Sample",
"Sample ID":"180969_3_CNTF_CTL_OD_7dpi_NEG",
"Factors":{"Treatment":"Control"},
"Additional sample data":{"RAW_FILE_NAME":"180969_3_CNTF_CTL_OD_7dpi_NEG.mzXML"}
},
{
"Subject ID":"Sample",
"Sample ID":"180969_2_CNTF_CTL_OD_7dpi_NEG",
"Factors":{"Treatment":"Control"},
"Additional sample data":{"RAW_FILE_NAME":"180969_2_CNTF_CTL_OD_7dpi_NEG.mzXML"}
},
{
"Subject ID":"Sample",
"Sample ID":"180969_1_CNTF_ONC_OS_7dpi_NEG",
"Factors":{"Treatment":"Crush"},
"Additional sample data":{"RAW_FILE_NAME":"180969_1_CNTF_ONC_OS_7dpi_NEG.mzXML"}
},
{
"Subject ID":"QC",
"Sample ID":"Pooled_QC3_NEG",
"Factors":{"Treatment":"N/A"},
"Additional sample data":{"RAW_FILE_NAME":"Pooled_QC3_NEG.mzXML"}
},
{
"Subject ID":"Sample",
"Sample ID":"180969_2_CNTF_ONC_OS_7dpi_NEG",
"Factors":{"Treatment":"Crush"},
"Additional sample data":{"RAW_FILE_NAME":"180969_2_CNTF_ONC_OS_7dpi_NEG.mzXML"}
},
{
"Subject ID":"Sample",
"Sample ID":"180969_3_CNTF_ONC_OS_7dpi_NEG",
"Factors":{"Treatment":"Crush"},
"Additional sample data":{"RAW_FILE_NAME":"180969_3_CNTF_ONC_OS_7dpi_NEG.mzXML"}
},
{
"Subject ID":"Sample",
"Sample ID":"159200_1_GREENL_CTL_OD_7dpi_NEG",
"Factors":{"Treatment":"Control"},
"Additional sample data":{"RAW_FILE_NAME":"159200_1_GREENL_CTL_OD_7dpi_NEG.mzXML"}
},
{
"Subject ID":"Sample",
"Sample ID":"175516_2_GREENL_CTL_OD_7dpi_NEG",
"Factors":{"Treatment":"Control"},
"Additional sample data":{"RAW_FILE_NAME":"175516_2_GREENL_CTL_OD_7dpi_NEG.mzXML"}
},
{
"Subject ID":"Sample",
"Sample ID":"159200_3_GREENL_CTL_OD_7dpi_NEG",
"Factors":{"Treatment":"Control"},
"Additional sample data":{"RAW_FILE_NAME":"159200_3_GREENL_CTL_OD_7dpi_NEG.mzXML"}
},
{
"Subject ID":"Sample",
"Sample ID":"175516_1_GREENL_ONC_OS_7dpi_NEG",
"Factors":{"Treatment":"Crush"},
"Additional sample data":{"RAW_FILE_NAME":"175516_1_GREENL_ONC_OS_7dpi_NEG.mzXML"}
},
{
"Subject ID":"Sample",
"Sample ID":"159200_2_GREENL_ONC_OS_7dpi_NEG",
"Factors":{"Treatment":"Crush"},
"Additional sample data":{"RAW_FILE_NAME":"159200_2_GREENL_ONC_OS_7dpi_NEG.mzXML"}
},
{
"Subject ID":"Sample",
"Sample ID":"159200_3_GREENL_ONC_OS_7dpi_NEG",
"Factors":{"Treatment":"Crush"},
"Additional sample data":{"RAW_FILE_NAME":"159200_3_GREENL_ONC_OS_7dpi_NEG.mzXML"}
},
{
"Subject ID":"Sample",
"Sample ID":"159201_1_CNTF_CTL_OD_7dpi_NEG",
"Factors":{"Treatment":"Control"},
"Additional sample data":{"RAW_FILE_NAME":"159201_1_CNTF_CTL_OD_7dpi_NEG.mzXML"}
},
{
"Subject ID":"Sample",
"Sample ID":"158618_2_CNTF_CTL_OD_7dpi_NEG",
"Factors":{"Treatment":"Control"},
"Additional sample data":{"RAW_FILE_NAME":"158618_2_CNTF_CTL_OD_7dpi_NEG.mzXML"}
},
{
"Subject ID":"QC",
"Sample ID":"Pooled_QC_4_NEG",
"Factors":{"Treatment":"N/A"},
"Additional sample data":{"RAW_FILE_NAME":"Pooled_QC_4_NEG.mzXML"}
},
{
"Subject ID":"Sample",
"Sample ID":"159201_3_CNTF_CTL_OD_7dpi_NEG",
"Factors":{"Treatment":"Control"},
"Additional sample data":{"RAW_FILE_NAME":"159201_3_CNTF_CTL_OD_7dpi_NEG.mzXML"}
},
{
"Subject ID":"Sample",
"Sample ID":"158618_1_CNTF_ONC_OS_7dpi_NEG",
"Factors":{"Treatment":"Crush"},
"Additional sample data":{"RAW_FILE_NAME":"158618_1_CNTF_ONC_OS_7dpi_NEG.mzXML"}
},
{
"Subject ID":"Sample",
"Sample ID":"159201_2_CNTF_ONC_OS_7dpi_NEG",
"Factors":{"Treatment":"Crush"},
"Additional sample data":{"RAW_FILE_NAME":"159201_2_CNTF_ONC_OS_7dpi_NEG.mzXML"}
},
{
"Subject ID":"Sample",
"Sample ID":"159201_3_CNTF_ONC_OS_7dpi_NEG",
"Factors":{"Treatment":"Crush"},
"Additional sample data":{"RAW_FILE_NAME":"159201_3_CNTF_ONC_OS_7dpi_NEG.mzXML"}
},
{
"Subject ID":"QC",
"Sample ID":"Pooled_QC_5_NEG",
"Factors":{"Treatment":"N/A"},
"Additional sample data":{"RAW_FILE_NAME":"Pooled_QC_5_NEG.mzXML"}
},
{
"Subject ID":"Blank",
"Sample ID":"Extraction_Blank_2_NEG",
"Factors":{"Treatment":"N/A"},
"Additional sample data":{"RAW_FILE_NAME":"Extraction_Blank_2_NEG.mzXML"}
},
{
"Subject ID":"QC",
"Sample ID":"Pooled_QC_MS2_1_NEG",
"Factors":{"Treatment":"N/A"},
"Additional sample data":{"RAW_FILE_NAME":"Pooled_QC_MS2_1_NEG.mzXML"}
},
{
"Subject ID":"QC",
"Sample ID":"Pooled_QC_MS2_2_NEG",
"Factors":{"Treatment":"N/A"},
"Additional sample data":{"RAW_FILE_NAME":"Pooled_QC_MS2_2_NEG.mzXML"}
},
{
"Subject ID":"QC",
"Sample ID":"Pooled_QC_MS2_3_NEG",
"Factors":{"Treatment":"N/A"},
"Additional sample data":{"RAW_FILE_NAME":"Pooled_QC_MS2_3_NEG.mzXML"}
},
{
"Subject ID":"QC",
"Sample ID":"Pooled_QC_MS2_4_NEG",
"Factors":{"Treatment":"N/A"},
"Additional sample data":{"RAW_FILE_NAME":"Pooled_QC_MS2_4_NEG.mzXML"}
},
{
"Subject ID":"Blank",
"Sample ID":"System_Suitability_Blank_2_NEG",
"Factors":{"Treatment":"N/A"},
"Additional sample data":{"RAW_FILE_NAME":"System_Suitability_Blank_2_NEG.mzXML"}
}
],
"COLLECTION":{"COLLECTION_SUMMARY":"For tissue collection, animals were euthanized using CO2 and the optic nerve was removed by dissection from the optic nerve head to the optic chiasm.","SAMPLE_TYPE":"Eye tissue"},

"TREATMENT":{"TREATMENT_SUMMARY":"The C57BL/6 mice were injected with AAV2-CNTF at titer of 1x10e13 vg/ml (viral genomes per mL) with 1 uL of AAV-CNTF injected in each eye. Mice labeled as AAV2-Green-Lantern were injected as a control. Prior to surgery, mice received a cocktail of ketamine and xylazine for anesthesia. The optic nerve crush was performed by exposing the optic nerve by blunt dissection. The nerve was crushed using forceps for 10 seconds 1 mm behind the globe. At 7 and 14 days post crush mice were euthanized and optic nerves were collected."},

"SAMPLEPREP":{"SAMPLEPREP_SUMMARY":"Metabolite extraction was carried out while keeping the optic nerve tissues on dry ice to prevent degradation. Tissues were transferred to 0.5mL Soft Tissue Lysing Kit Precellys tubes containing beads. Add 84 µL of chilled 1:1 MeOH/H2O to Precellys tube. Pre-extraction internal standards were added to the tubes. Add pre-extraction internal standards: 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. Transfer homogenate to microcentrifuge tube and centrifuge at 18000xrcf for 20 min at 4°C. 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"},

"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":"µg/ml",

"Data":[{"Metabolite":"Bis(2-ethylhexyl)adipate","158618_1_CNTF_ONC_OS_14dpi_POS":"19.9238325","159201_2_CNTF_ONC_OS_14dpi_POS":"23.06085265","159201_3_CNTF_ONC_OS_14dpi_POS":"7.673421931","159200_2_GREENL_ONC_OS_14dpi_POS":"13.08560131","159200_3_GREENL_ONC_OS_14dpi_POS":"17.75272039","175516_1_GREENL_ONC_OS_14dpi_POS":"5.795981669","158618_2_CNTF_CTL_OD_14dpi_POS":"21.90555188","159200_1_GREENL_CTL_OD_14dpi_POS":"2.242852395","159200_3_GREENL_CTL_OD_14dpi_POS":"20.09033111","159201_1_CNTF_CTL_OD_14dpi_POS":"3.313382333","159201_3_CNTF_CTL_OD_14dpi_POS":"14.46587582","175516_2_GREENL_CTL_OD_14dpi_POS":"7.791247071","180969_1_CNTF_ONC_OS_7dpi_POS":"12.86560381","180969_2_CNTF_ONC_OS_7dpi_POS":"17.66512232","180969_3_CNTF_ONC_OS_7dpi_POS":"15.36143615","180968_1_GREENL_ONC_OS_7dpi_POS":"15.33309433","180968_2_GREENL_ONC_OS_7dpi_POS":"34.25976083","180968_3_GREENL_ONC_OS_7dpi_POS":"6.561964192","180968_1_GREENL_CTL_OD_7dpi_POS":"14.17516431","180968_2_GREENL_CTL_OD_7dpi_POS":"18.9984102","180968_3_GREENL_CTL_OD_7dpi_POS":"11.3262786","180969_1_CNTF_CTL_OD_7dpi_POS":"0.204540649","180969_2_CNTF_CTL_OD_7dpi_POS":"0.714774838","180969_3_CNTF_CTL_OD_7dpi_POS":"0.733073649"},{"Metabolite":"Tetradecanedioicacid","158618_1_CNTF_ONC_OS_14dpi_POS":"2.32109875","159201_2_CNTF_ONC_OS_14dpi_POS":"2.259937692","159201_3_CNTF_ONC_OS_14dpi_POS":"0.729079645","159200_2_GREENL_ONC_OS_14dpi_POS":"1.400614731","159200_3_GREENL_ONC_OS_14dpi_POS":"1.933159048","175516_1_GREENL_ONC_OS_14dpi_POS":"1.046199822","158618_2_CNTF_CTL_OD_14dpi_POS":"2.47834639","159200_1_GREENL_CTL_OD_14dpi_POS":"0.212772343","159200_3_GREENL_CTL_OD_14dpi_POS":"2.189690269","159201_1_CNTF_CTL_OD_14dpi_POS":"0.889143388","159201_3_CNTF_CTL_OD_14dpi_POS":"1.571990092","175516_2_GREENL_CTL_OD_14dpi_POS":"1.037285912","180969_1_CNTF_ONC_OS_7dpi_POS":"2.278650025","180969_2_CNTF_ONC_OS_7dpi_POS":"1.434094167","180969_3_CNTF_ONC_OS_7dpi_POS":"1.872006584","180968_1_GREENL_ONC_OS_7dpi_POS":"1.409046608","180968_2_GREENL_ONC_OS_7dpi_POS":"3.270882596","180968_3_GREENL_ONC_OS_7dpi_POS":"1.146226342","180968_1_GREENL_CTL_OD_7dpi_POS":"1.468025905","180968_2_GREENL_CTL_OD_7dpi_POS":"1.858437351","180968_3_GREENL_CTL_OD_7dpi_POS":"0.094220011","180969_1_CNTF_CTL_OD_7dpi_POS":"0.127484321","180969_2_CNTF_CTL_OD_7dpi_POS":"0.161118891","180969_3_CNTF_CTL_OD_7dpi_POS":"0.124435257"},{"Metabolite":"dilauroyl peroxide","158618_1_CNTF_ONC_OS_14dpi_POS":"1.292767294","159201_2_CNTF_ONC_OS_14dpi_POS":"0.593389323","159201_3_CNTF_ONC_OS_14dpi_POS":"0.178477634","159200_2_GREENL_ONC_OS_14dpi_POS":"0.398761702","159200_3_GREENL_ONC_OS_14dpi_POS":"0.601878139","175516_1_GREENL_ONC_OS_14dpi_POS":"0.144881882","158618_2_CNTF_CTL_OD_14dpi_POS":"0.995186713","159200_1_GREENL_CTL_OD_14dpi_POS":"0.077605186","159200_3_GREENL_CTL_OD_14dpi_POS":"0.828506039","159201_1_CNTF_CTL_OD_14dpi_POS":"0.058970732","159201_3_CNTF_CTL_OD_14dpi_POS":"0.444954749","175516_2_GREENL_CTL_OD_14dpi_POS":"0.257412248","180969_1_CNTF_ONC_OS_7dpi_POS":"0.464122429","180969_2_CNTF_ONC_OS_7dpi_POS":"0.702100286","180969_3_CNTF_ONC_OS_7dpi_POS":"0.475409485","180968_1_GREENL_ONC_OS_7dpi_POS":"0.380933698","180968_2_GREENL_ONC_OS_7dpi_POS":"0.580221401","180968_3_GREENL_ONC_OS_7dpi_POS":"0.114164054","180968_1_GREENL_CTL_OD_7dpi_POS":"0.432483199","180968_2_GREENL_CTL_OD_7dpi_POS":"0.356808833","180968_3_GREENL_CTL_OD_7dpi_POS":"0.16926341","180969_1_CNTF_CTL_OD_7dpi_POS":"0.017939372","180969_2_CNTF_CTL_OD_7dpi_POS":"0.01969083","180969_3_CNTF_CTL_OD_7dpi_POS":"0.021872859"},{"Metabolite":"3-{5-[(2S)-2-Amino-2-carboxyethyl]-1H-imidazol-2-yl}-1-carboxy-N,N,N-trimethyl-1-propanaminium","158618_1_CNTF_ONC_OS_14dpi_POS":"0.165998494","159201_2_CNTF_ONC_OS_14dpi_POS":"0.167085279","159201_3_CNTF_ONC_OS_14dpi_POS":"0.093551003","159200_2_GREENL_ONC_OS_14dpi_POS":"0.112477295","159200_3_GREENL_ONC_OS_14dpi_POS":"0.202832933","175516_1_GREENL_ONC_OS_14dpi_POS":"0.055186811","158618_2_CNTF_CTL_OD_14dpi_POS":"0.174596525","159200_1_GREENL_CTL_OD_14dpi_POS":"0.047211722","159200_3_GREENL_CTL_OD_14dpi_POS":"0.123965679","159201_1_CNTF_CTL_OD_14dpi_POS":"0.062745143","159201_3_CNTF_CTL_OD_14dpi_POS":"0.247009319","175516_2_GREENL_CTL_OD_14dpi_POS":"0.118174294","180969_1_CNTF_ONC_OS_7dpi_POS":"0.141270877","180969_2_CNTF_ONC_OS_7dpi_POS":"0.247365007","180969_3_CNTF_ONC_OS_7dpi_POS":"0.182184616","180968_1_GREENL_ONC_OS_7dpi_POS":"43.72165158","180968_2_GREENL_ONC_OS_7dpi_POS":"83.99907777","180968_3_GREENL_ONC_OS_7dpi_POS":"25.19522347","180968_1_GREENL_CTL_OD_7dpi_POS":"0.118828181","180968_2_GREENL_CTL_OD_7dpi_POS":"68.21980137","180968_3_GREENL_CTL_OD_7dpi_POS":"32.16087401","180969_1_CNTF_CTL_OD_7dpi_POS":"0.30694276","180969_2_CNTF_CTL_OD_7dpi_POS":"2.487848747","180969_3_CNTF_CTL_OD_7dpi_POS":"0.244895675"},{"Metabolite":"DG(18:1(9Z)/20:4(5Z,8Z,11Z,14Z)/0:0)[iso2]","158618_1_CNTF_ONC_OS_14dpi_POS":"8.941724187","159201_2_CNTF_ONC_OS_14dpi_POS":"11.76420301","159201_3_CNTF_ONC_OS_14dpi_POS":"2.751476801","159200_2_GREENL_ONC_OS_14dpi_POS":"9.068232086","159200_3_GREENL_ONC_OS_14dpi_POS":"5.684515794","175516_1_GREENL_ONC_OS_14dpi_POS":"2.406449043","158618_2_CNTF_CTL_OD_14dpi_POS":"27.42281151","159200_1_GREENL_CTL_OD_14dpi_POS":"3.522530866","159200_3_GREENL_CTL_OD_14dpi_POS":"15.6366202","159201_1_CNTF_CTL_OD_14dpi_POS":"1.888684773","159201_3_CNTF_CTL_OD_14dpi_POS":"13.32988346","175516_2_GREENL_CTL_OD_14dpi_POS":"8.267066437","180969_1_CNTF_ONC_OS_7dpi_POS":"16.98726883","180969_2_CNTF_ONC_OS_7dpi_POS":"9.107306045","180969_3_CNTF_ONC_OS_7dpi_POS":"6.188670796","180968_1_GREENL_ONC_OS_7dpi_POS":"8.194602488","180968_2_GREENL_ONC_OS_7dpi_POS":"10.74984032","180968_3_GREENL_ONC_OS_7dpi_POS":"3.282500923","180968_1_GREENL_CTL_OD_7dpi_POS":"15.23739655","180968_2_GREENL_CTL_OD_7dpi_POS":"7.325479431","180968_3_GREENL_CTL_OD_7dpi_POS":"4.769469219","180969_1_CNTF_CTL_OD_7dpi_POS":"0.0350289","180969_2_CNTF_CTL_OD_7dpi_POS":"0.784605096","180969_3_CNTF_CTL_OD_7dpi_POS":"0.041282018"},{"Metabolite":"Glycerol phenylbutyrate","158618_1_CNTF_ONC_OS_14dpi_POS":"0.987617495","159201_2_CNTF_ONC_OS_14dpi_POS":"1.083529952","159201_3_CNTF_ONC_OS_14dpi_POS":"0.246334415","159200_2_GREENL_ONC_OS_14dpi_POS":"0.768904693","159200_3_GREENL_ONC_OS_14dpi_POS":"0.757805897","175516_1_GREENL_ONC_OS_14dpi_POS":"0.18542792","158618_2_CNTF_CTL_OD_14dpi_POS":"1.386499375","159200_1_GREENL_CTL_OD_14dpi_POS":"0.041112887","159200_3_GREENL_CTL_OD_14dpi_POS":"1.037379087","159201_1_CNTF_CTL_OD_14dpi_POS":"0.090176091","159201_3_CNTF_CTL_OD_14dpi_POS":"0.702264304","175516_2_GREENL_CTL_OD_14dpi_POS":"0.264653963","180969_1_CNTF_ONC_OS_7dpi_POS":"1.77395123","180969_2_CNTF_ONC_OS_7dpi_POS":"0.918150311","180969_3_CNTF_ONC_OS_7dpi_POS":"1.029989072","180968_1_GREENL_ONC_OS_7dpi_POS":"0.990525034","180968_2_GREENL_ONC_OS_7dpi_POS":"2.54712058","180968_3_GREENL_ONC_OS_7dpi_POS":"0.456911856","180968_1_GREENL_CTL_OD_7dpi_POS":"0.889933717","180968_2_GREENL_CTL_OD_7dpi_POS":"1.026388416","180968_3_GREENL_CTL_OD_7dpi_POS":"0.624629332","180969_1_CNTF_CTL_OD_7dpi_POS":"0.014856689","180969_2_CNTF_CTL_OD_7dpi_POS":"0.017310992","180969_3_CNTF_CTL_OD_7dpi_POS":"0.017983576"},{"Metabolite":"DROMOSTANOLONE TETRAHYDROPYRANYL 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to: 2-hydroxy-6-[4-hydroxy-2-methoxy-6-(methoxycarbonyl)phenoxy]-4-methylbenzoic acid; ΔMass: 38.1006 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to: 2-hydroxy-6-[4-hydroxy-2-methoxy-6-(methoxycarbonyl)phenoxy]-4-methylbenzoic acid; ΔMass: 55.1355 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to: PEG n5; ΔMass: 35.0157 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to: PEG n5; ΔMass: 17.1508 Da]","158618_1_CNTF_ONC_OS_14dpi_POS":"1.875999188","159201_2_CNTF_ONC_OS_14dpi_POS":"0.675641163","159201_3_CNTF_ONC_OS_14dpi_POS":"0.455189221","159200_2_GREENL_ONC_OS_14dpi_POS":"0.636275462","159200_3_GREENL_ONC_OS_14dpi_POS":"0.862676114","175516_1_GREENL_ONC_OS_14dpi_POS":"1.03784436","158618_2_CNTF_CTL_OD_14dpi_POS":"1.186357517","159200_1_GREENL_CTL_OD_14dpi_POS":"0.544231035","159200_3_GREENL_CTL_OD_14dpi_POS":"0.562769171","159201_1_CNTF_CTL_OD_14dpi_POS":"0.380613593","159201_3_CNTF_CTL_OD_14dpi_POS":"1.030097557","175516_2_GREENL_CTL_OD_14dpi_POS":"0.562131226","180969_1_CNTF_ONC_OS_7dpi_POS":"1.357432546","180969_2_CNTF_ONC_OS_7dpi_POS":"0.531458769","180969_3_CNTF_ONC_OS_7dpi_POS":"0.616968943","180968_1_GREENL_ONC_OS_7dpi_POS":"0.685016346","180968_2_GREENL_ONC_OS_7dpi_POS":"1.011272736","180968_3_GREENL_ONC_OS_7dpi_POS":"0.5146079","180968_1_GREENL_CTL_OD_7dpi_POS":"0.579828471","180968_2_GREENL_CTL_OD_7dpi_POS":"0.585297525","180968_3_GREENL_CTL_OD_7dpi_POS":"0.474126459","180969_1_CNTF_CTL_OD_7dpi_POS":"0.289649598","180969_2_CNTF_CTL_OD_7dpi_POS":"0.306899683","180969_3_CNTF_CTL_OD_7dpi_POS":"0.363494468"},{"Metabolite":"[Similar to: PEG n7; ΔMass: 17.0262 Da]","158618_1_CNTF_ONC_OS_14dpi_POS":"45.72688535","159201_2_CNTF_ONC_OS_14dpi_POS":"61.1809718","159201_3_CNTF_ONC_OS_14dpi_POS":"37.49663944","159200_2_GREENL_ONC_OS_14dpi_POS":"48.3752119","159200_3_GREENL_ONC_OS_14dpi_POS":"44.81690924","175516_1_GREENL_ONC_OS_14dpi_POS":"48.22972535","158618_2_CNTF_CTL_OD_14dpi_POS":"38.14202234","159200_1_GREENL_CTL_OD_14dpi_POS":"30.58140332","159200_3_GREENL_CTL_OD_14dpi_POS":"65.34634542","159201_1_CNTF_CTL_OD_14dpi_POS":"98.08857897","159201_3_CNTF_CTL_OD_14dpi_POS":"28.9409471","175516_2_GREENL_CTL_OD_14dpi_POS":"24.97895584","180969_1_CNTF_ONC_OS_7dpi_POS":"36.74374635","180969_2_CNTF_ONC_OS_7dpi_POS":"67.63330473","180969_3_CNTF_ONC_OS_7dpi_POS":"41.25982202","180968_1_GREENL_ONC_OS_7dpi_POS":"77.24328996","180968_2_GREENL_ONC_OS_7dpi_POS":"48.89988734","180968_3_GREENL_ONC_OS_7dpi_POS":"96.82385031","180968_1_GREENL_CTL_OD_7dpi_POS":"32.32992378","180968_2_GREENL_CTL_OD_7dpi_POS":"42.142069","180968_3_GREENL_CTL_OD_7dpi_POS":"74.26933528","180969_1_CNTF_CTL_OD_7dpi_POS":"34.94497996","180969_2_CNTF_CTL_OD_7dpi_POS":"37.94420754","180969_3_CNTF_CTL_OD_7dpi_POS":"46.92401858"},{"Metabolite":"DD9275000","158618_1_CNTF_ONC_OS_14dpi_POS":"267.5777983","159201_2_CNTF_ONC_OS_14dpi_POS":"847.3104275","159201_3_CNTF_ONC_OS_14dpi_POS":"300.9342629","159200_2_GREENL_ONC_OS_14dpi_POS":"337.0312371","159200_3_GREENL_ONC_OS_14dpi_POS":"290.6930433","175516_1_GREENL_ONC_OS_14dpi_POS":"258.0451402","158618_2_CNTF_CTL_OD_14dpi_POS":"414.4740607","159200_1_GREENL_CTL_OD_14dpi_POS":"275.0324288","159200_3_GREENL_CTL_OD_14dpi_POS":"310.5066951","159201_1_CNTF_CTL_OD_14dpi_POS":"262.7317675","159201_3_CNTF_CTL_OD_14dpi_POS":"316.9274629","175516_2_GREENL_CTL_OD_14dpi_POS":"222.5676271","180969_1_CNTF_ONC_OS_7dpi_POS":"523.9782583","180969_2_CNTF_ONC_OS_7dpi_POS":"309.3068468","180969_3_CNTF_ONC_OS_7dpi_POS":"300.3767223","180968_1_GREENL_ONC_OS_7dpi_POS":"561.7008929","180968_2_GREENL_ONC_OS_7dpi_POS":"452.4939474","180968_3_GREENL_ONC_OS_7dpi_POS":"395.788897","180968_1_GREENL_CTL_OD_7dpi_POS":"324.6066264","180968_2_GREENL_CTL_OD_7dpi_POS":"293.0359103","180968_3_GREENL_CTL_OD_7dpi_POS":"545.1146408","180969_1_CNTF_CTL_OD_7dpi_POS":"354.0515026","180969_2_CNTF_CTL_OD_7dpi_POS":"250.4141312","180969_3_CNTF_CTL_OD_7dpi_POS":"248.1708736"},{"Metabolite":"N-Pentacosanoylglycine","158618_1_CNTF_ONC_OS_14dpi_POS":"2.846831881","159201_2_CNTF_ONC_OS_14dpi_POS":"1.93045607","159201_3_CNTF_ONC_OS_14dpi_POS":"0.36767731","159200_2_GREENL_ONC_OS_14dpi_POS":"1.331061172","159200_3_GREENL_ONC_OS_14dpi_POS":"1.750146446","175516_1_GREENL_ONC_OS_14dpi_POS":"0.374937174","158618_2_CNTF_CTL_OD_14dpi_POS":"3.018566083","159200_1_GREENL_CTL_OD_14dpi_POS":"0.100823863","159200_3_GREENL_CTL_OD_14dpi_POS":"1.737531426","159201_1_CNTF_CTL_OD_14dpi_POS":"0.108305831","159201_3_CNTF_CTL_OD_14dpi_POS":"2.152146589","175516_2_GREENL_CTL_OD_14dpi_POS":"0.660128951","180969_1_CNTF_ONC_OS_7dpi_POS":"4.949996032","180969_2_CNTF_ONC_OS_7dpi_POS":"1.370942034","180969_3_CNTF_ONC_OS_7dpi_POS":"2.315201133","180968_1_GREENL_ONC_OS_7dpi_POS":"1.701394956","180968_2_GREENL_ONC_OS_7dpi_POS":"3.68836381","180968_3_GREENL_ONC_OS_7dpi_POS":"1.083449369","180968_1_GREENL_CTL_OD_7dpi_POS":"1.553736477","180968_2_GREENL_CTL_OD_7dpi_POS":"1.49096811","180968_3_GREENL_CTL_OD_7dpi_POS":"0.730482622","180969_1_CNTF_CTL_OD_7dpi_POS":"0.077145076","180969_2_CNTF_CTL_OD_7dpi_POS":"0.079807885","180969_3_CNTF_CTL_OD_7dpi_POS":"0.083614337"},{"Metabolite":"PEG 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to: (4-benzoylpiperidino)[4-(tert-butyl)phenyl]methanone; ΔMass: 38.0421 Da]","158618_1_CNTF_ONC_OS_14dpi_POS":"11.49197862","159201_2_CNTF_ONC_OS_14dpi_POS":"11.99504041","159201_3_CNTF_ONC_OS_14dpi_POS":"9.745041803","159200_2_GREENL_ONC_OS_14dpi_POS":"10.73460935","159200_3_GREENL_ONC_OS_14dpi_POS":"10.63364041","175516_1_GREENL_ONC_OS_14dpi_POS":"15.71517732","158618_2_CNTF_CTL_OD_14dpi_POS":"12.51050732","159200_1_GREENL_CTL_OD_14dpi_POS":"12.19060503","159200_3_GREENL_CTL_OD_14dpi_POS":"14.19216375","159201_1_CNTF_CTL_OD_14dpi_POS":"58.97522432","159201_3_CNTF_CTL_OD_14dpi_POS":"9.838925353","175516_2_GREENL_CTL_OD_14dpi_POS":"8.096524858","180969_1_CNTF_ONC_OS_7dpi_POS":"11.92080337","180969_2_CNTF_ONC_OS_7dpi_POS":"31.25290375","180969_3_CNTF_ONC_OS_7dpi_POS":"17.54991234","180968_1_GREENL_ONC_OS_7dpi_POS":"43.20979447","180968_2_GREENL_ONC_OS_7dpi_POS":"18.21546926","180968_3_GREENL_ONC_OS_7dpi_POS":"63.39452545","180968_1_GREENL_CTL_OD_7dpi_POS":"9.756923939","180968_2_GREENL_CTL_OD_7dpi_POS":"12.90555132","180968_3_GREENL_CTL_OD_7dpi_POS":"16.70559952","180969_1_CNTF_CTL_OD_7dpi_POS":"12.13543655","180969_2_CNTF_CTL_OD_7dpi_POS":"9.714361932","180969_3_CNTF_CTL_OD_7dpi_POS":"13.71101702"},{"Metabolite":"Octyl 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to: 2-[(4-chlorophenyl)sulfonyl]-N,N-dimethylacetamide; ΔMass: 38.1714 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to: (1R,2R,4S,16R,17R,20S)-2-hydroxy-13,20-dimethoxy-4,7,17,22,22-pentamethyl-5,10,21,23-tetraoxahexacyclo[18.2.1.0Âa,Âaâ·.0â´,Âaâ¶.0â¶,Âaâ´.0â¸,ÂaÂ?]tricosa-6,8(12),13-trien-11-one; ΔMass: -131.0052 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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; ΔMass: -57.7705 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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; ΔMass: -57.7706 Da]","158618_1_CNTF_ONC_OS_14dpi_POS":"0.071682626","159201_2_CNTF_ONC_OS_14dpi_POS":"0.123253074","159201_3_CNTF_ONC_OS_14dpi_POS":"0.06483835","159200_2_GREENL_ONC_OS_14dpi_POS":"0.071076119","159200_3_GREENL_ONC_OS_14dpi_POS":"0.116002448","175516_1_GREENL_ONC_OS_14dpi_POS":"0.074944203","158618_2_CNTF_CTL_OD_14dpi_POS":"0.064750227","159200_1_GREENL_CTL_OD_14dpi_POS":"0.062500235","159200_3_GREENL_CTL_OD_14dpi_POS":"0.075883586","159201_1_CNTF_CTL_OD_14dpi_POS":"0.161246048","159201_3_CNTF_CTL_OD_14dpi_POS":"0.072988651","175516_2_GREENL_CTL_OD_14dpi_POS":"0.083625129","180969_1_CNTF_ONC_OS_7dpi_POS":"0.067795324","180969_2_CNTF_ONC_OS_7dpi_POS":"0.066206472","180969_3_CNTF_ONC_OS_7dpi_POS":"0.082129192","180968_1_GREENL_ONC_OS_7dpi_POS":"0.109376761","180968_2_GREENL_ONC_OS_7dpi_POS":"0.075006096","180968_3_GREENL_ONC_OS_7dpi_POS":"0.075744646","180968_1_GREENL_CTL_OD_7dpi_POS":"0.071190672","180968_2_GREENL_CTL_OD_7dpi_POS":"0.062519336","180968_3_GREENL_CTL_OD_7dpi_POS":"0.061089389","180969_1_CNTF_CTL_OD_7dpi_POS":"0.075424626","180969_2_CNTF_CTL_OD_7dpi_POS":"0.099294858","180969_3_CNTF_CTL_OD_7dpi_POS":"0.080374833"},{"Metabolite":"N-Adenylylanthranilate","158618_1_CNTF_ONC_OS_14dpi_POS":"0.006576569","159201_2_CNTF_ONC_OS_14dpi_POS":"0.004938779","159201_3_CNTF_ONC_OS_14dpi_POS":"0.007976444","159200_2_GREENL_ONC_OS_14dpi_POS":"0.006664067","159200_3_GREENL_ONC_OS_14dpi_POS":"0.005119634","175516_1_GREENL_ONC_OS_14dpi_POS":"0.007913409","158618_2_CNTF_CTL_OD_14dpi_POS":"0.006071834","159200_1_GREENL_CTL_OD_14dpi_POS":"0.003129041","159200_3_GREENL_CTL_OD_14dpi_POS":"0.009080457","159201_1_CNTF_CTL_OD_14dpi_POS":"0.01253247","159201_3_CNTF_CTL_OD_14dpi_POS":"0.007944236","175516_2_GREENL_CTL_OD_14dpi_POS":"0.010578436","180969_1_CNTF_ONC_OS_7dpi_POS":"0.007775549","180969_2_CNTF_ONC_OS_7dpi_POS":"0.006996191","180969_3_CNTF_ONC_OS_7dpi_POS":"0.009290554","180968_1_GREENL_ONC_OS_7dpi_POS":"0.006938892","180968_2_GREENL_ONC_OS_7dpi_POS":"0.006911439","180968_3_GREENL_ONC_OS_7dpi_POS":"0.008218885","180968_1_GREENL_CTL_OD_7dpi_POS":"0.008579145","180968_2_GREENL_CTL_OD_7dpi_POS":"0.00837514","180968_3_GREENL_CTL_OD_7dpi_POS":"0.00789673","180969_1_CNTF_CTL_OD_7dpi_POS":"0.008844526","180969_2_CNTF_CTL_OD_7dpi_POS":"0.012264536","180969_3_CNTF_CTL_OD_7dpi_POS":"0.011603902"},{"Metabolite":"3-Methylhistamine","158618_1_CNTF_ONC_OS_14dpi_POS":"3.227402002","159201_2_CNTF_ONC_OS_14dpi_POS":"3.222351016","159201_3_CNTF_ONC_OS_14dpi_POS":"3.65728758","159200_2_GREENL_ONC_OS_14dpi_POS":"3.302103792","159200_3_GREENL_ONC_OS_14dpi_POS":"3.234330724","175516_1_GREENL_ONC_OS_14dpi_POS":"3.08028603","158618_2_CNTF_CTL_OD_14dpi_POS":"2.395597318","159200_1_GREENL_CTL_OD_14dpi_POS":"2.783106598","159200_3_GREENL_CTL_OD_14dpi_POS":"3.611399728","159201_1_CNTF_CTL_OD_14dpi_POS":"5.871287175","159201_3_CNTF_CTL_OD_14dpi_POS":"3.332571094","175516_2_GREENL_CTL_OD_14dpi_POS":"3.877779743","180969_1_CNTF_ONC_OS_7dpi_POS":"2.710491296","180969_2_CNTF_ONC_OS_7dpi_POS":"2.311104005","180969_3_CNTF_ONC_OS_7dpi_POS":"3.4839627","180968_1_GREENL_ONC_OS_7dpi_POS":"2.698266111","180968_2_GREENL_ONC_OS_7dpi_POS":"2.491275096","180968_3_GREENL_ONC_OS_7dpi_POS":"3.017690688","180968_1_GREENL_CTL_OD_7dpi_POS":"3.066916702","180968_2_GREENL_CTL_OD_7dpi_POS":"6.20229269","180968_3_GREENL_CTL_OD_7dpi_POS":"2.21991688","180969_1_CNTF_CTL_OD_7dpi_POS":"2.432647012","180969_2_CNTF_CTL_OD_7dpi_POS":"3.798088717","180969_3_CNTF_CTL_OD_7dpi_POS":"3.758791781"},{"Metabolite":"trans-3-Indoleacrylic 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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; ΔMass: -57.7704 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to: Cefotaxime; ΔMass: -63.9482 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class":"Organic acids","Main class":"Amino acids and peptides","Sub class":"Dipeptides"},{"Metabolite":"2-Hexenoylcarnitine","Standardized name":"CAR 6:1","Formula":"C13H23NO4","Exact mass":"257.1627","Super class":"Fatty Acyls","Main class":"Fatty esters","Sub class":"Acyl carnitines"},{"Metabolite":"N,N-Dimethyl-N-phenylurea","Standardized name":"-","Formula":"","Exact mass":"","Super class":"","Main class":"","Sub class":""},{"Metabolite":"2-methyl-2,3,4,5-tetrahydro-1,5-benzoxazepin-4-one","Standardized name":"-","Formula":"","Exact mass":"","Super class":"","Main class":"","Sub class":""},{"Metabolite":"EJ4025000","Standardized name":"-","Formula":"","Exact mass":"","Super class":"","Main class":"","Sub class":""},{"Metabolite":"RiboflavinB2","Standardized name":"Riboflavin","Formula":"C17H20N4O6","Exact mass":"376.1383","Super class":"Organoheterocyclic compounds","Main class":"Alloxazines and isoalloxazines","Sub 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}