#METABOLOMICS WORKBENCH sbhattacharya_20240605_062156 DATATRACK_ID:4901 STUDY_ID:ST003279 ANALYSIS_ID:AN005372 PROJECT_ID:PR002032 VERSION 1 CREATED_ON June 21, 2024, 12:49 pm #PROJECT PR:PROJECT_TITLE Metabolomic Analysis of Axon Regeneration in Xenopus laevis PR:PROJECT_SUMMARY CNS injuries of the anuran amphibian, Xenopus laevis, are uniquely befitted for PR:PROJECT_SUMMARY studying the molecular compositions of neuronal regeneration of retinal ganglion PR:PROJECT_SUMMARY cells (RGC) due to a functional recovery of optic axons disparate to adult PR:PROJECT_SUMMARY mammalian analogues. RGCs and their optic nerve axons undergo irreversible PR:PROJECT_SUMMARY neurodegeneration in glaucoma and associated optic neuropathies, resulting in PR:PROJECT_SUMMARY blindness in mammals. Conversely, Xenopus demonstrates RGC lifetime-spanning PR:PROJECT_SUMMARY regenerative capabilities after optic nerve crush, inciting opportunities to PR:PROJECT_SUMMARY compare de novo regeneration and develop efficient pharmaceutical approaches for PR:PROJECT_SUMMARY vision restoration. Studies revealing metabolome alterations during optic nerve PR:PROJECT_SUMMARY regeneration are sparse and could serve as a solid foundation for these PR:PROJECT_SUMMARY underlying molecular changes. We profile the metabolite changes in the optic PR:PROJECT_SUMMARY tissues of a transgenic line of 1 year old Xenopus laevis Tg(islet2b:gfp) frogs PR:PROJECT_SUMMARY that either had a monocular surgery of either a left optic crush injury (crush) PR:PROJECT_SUMMARY or sham surgery (sham). The matching controls of uninjured right optic nerves PR:PROJECT_SUMMARY were also collected (control). Tg(islet2b:gfp) frogs were allowed to recover for PR:PROJECT_SUMMARY 12 and 27 days post optic nerve crush. Following euthanasia, the tissues were PR:PROJECT_SUMMARY collected for metabolomic analysis. Samples were pooled for each category PR:PROJECT_SUMMARY (crush, sham, and control) at n =3 to obtain sufficient metabolite PR:PROJECT_SUMMARY concentrations for analysis. Metabolites were extracted using a Precellys PR:PROJECT_SUMMARY Homogenizer and a serial extraction method: (1) 1:1 Methanol/Water and (2) 8:1:1 PR:PROJECT_SUMMARY Acetonitrile/Methanol/Acetone. Metabolites were analyzed by untargeted liquid PR:PROJECT_SUMMARY chromatography-mass spectrometry (LC MS-MS) profiling using a Q-Exactive PR:PROJECT_SUMMARY Orbitrap instrument coupled with Vanquish Horizon Binary UHPLC LC-MS system. PR:PROJECT_SUMMARY Metabolites were identified and quantified using Compound Discoverer 3.3 and PR:PROJECT_SUMMARY isotopic internal metabolites standards. PR:INSTITUTE University of Miami PR:DEPARTMENT McKnight - Ophthalmology PR:LABORATORY Bhattacharya Lab PR:LAST_NAME Bhattacharya PR:FIRST_NAME Sanjoy PR:ADDRESS 1638 NW 10th Avenue, Room 706-A, Miami, FL 33136 PR:EMAIL sbhattacharya@med.miami.edu PR:PHONE 3054824103 #STUDY ST:STUDY_TITLE Metabolomic analysis of Axon Regeneration in Xenopus laevis Tectum ST:STUDY_SUMMARY We profile the metabolite changes in the tectum of a transgenic line of 1 year ST:STUDY_SUMMARY old Xenopus laevis Tg(islet2b:gfp) frogs that either had a monocular surgery of ST:STUDY_SUMMARY either a left optic crush injury (crush) or sham surgery (sham). The matching ST:STUDY_SUMMARY controls of uninjured right optic nerves were also collected (control). ST:STUDY_SUMMARY Tg(islet2b:gfp) frogs were allowed to recover for 12 and 27 days post optic ST:STUDY_SUMMARY nerve crush. Following euthanasia, the tissues were collected for metabolomic ST:STUDY_SUMMARY analysis. Samples were pooled for each category (crush, sham, and control) at n ST:STUDY_SUMMARY =3 to obtain sufficient metabolite concentrations for analysis. Metabolites were ST:STUDY_SUMMARY extracted using a Precellys Homogenizer and a serial extraction method: (1) 1:1 ST:STUDY_SUMMARY Methanol/Water and (2) 8:1:1 Acetonitrile/Methanol/Acetone. Metabolites were ST:STUDY_SUMMARY analyzed by untargeted liquid chromatography-mass spectrometry (LC MS-MS) ST:STUDY_SUMMARY profiling using a Q-Exactive Orbitrap instrument coupled with Vanquish Horizon ST:STUDY_SUMMARY Binary UHPLC LC-MS system. Metabolites were identified and quantified using ST:STUDY_SUMMARY Compound Discoverer 3.3 and isotopic internal metabolites standards. ST:INSTITUTE University of Miami ST:DEPARTMENT McKnight - Ophthalmology ST:LABORATORY Bhattacharya Lab ST:LAST_NAME Bhattacharya ST:FIRST_NAME Sanjoy ST:ADDRESS 1638 NW 10th Avenue, Room 706-A, Miami, FL 33136 ST:EMAIL sbhattacharya@med.miami.edu ST:PHONE 3054824103 #SUBJECT SU:SUBJECT_TYPE Amphibian SU:SUBJECT_SPECIES Xenopus laevis SU:TAXONOMY_ID 8355 #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Raw file names and additional sample data SUBJECT_SAMPLE_FACTORS - Blank_POS1 Sample source:NA | Treatment:Extraction Blank RAW_FILE_NAME=Blank_POS1.raw SUBJECT_SAMPLE_FACTORS - Blank_POS2 Sample source:NA | Treatment:Extraction Blank RAW_FILE_NAME=Blank_POS2.raw SUBJECT_SAMPLE_FACTORS - Blank_POS3 Sample source:NA | Treatment:Extraction Blank RAW_FILE_NAME=Blank_POS3.raw SUBJECT_SAMPLE_FACTORS - Blank_NEG1 Sample source:NA | Treatment:Extraction Blank RAW_FILE_NAME=Blank_NEG1.raw SUBJECT_SAMPLE_FACTORS - Blank_NEG2 Sample source:NA | Treatment:Extraction Blank RAW_FILE_NAME=Blank_NEG2.raw SUBJECT_SAMPLE_FACTORS - Blank_NEG3 Sample source:NA | Treatment:Extraction Blank RAW_FILE_NAME=Blank_NEG3.raw SUBJECT_SAMPLE_FACTORS - CTL_12dpi_Tect1_POS1 Sample source:Tectum | Treatment:Control RAW_FILE_NAME=CTL_12dpi_Tect1_POS1.raw SUBJECT_SAMPLE_FACTORS - CTL_12dpi_Tect1_POS2 Sample source:Tectum | Treatment:Control RAW_FILE_NAME=CTL_12dpi_Tect1_POS2.raw SUBJECT_SAMPLE_FACTORS - CTL_12dpi_Tect1_POS3 Sample source:Tectum | Treatment:Control RAW_FILE_NAME=CTL_12dpi_Tect1_POS3.raw SUBJECT_SAMPLE_FACTORS - CTL_12dpi_Tect1_NEG1 Sample source:Tectum | Treatment:Control RAW_FILE_NAME=CTL_12dpi_Tect1_NEG1.raw SUBJECT_SAMPLE_FACTORS - CTL_12dpi_Tect1_NEG2 Sample source:Tectum | Treatment:Control RAW_FILE_NAME=CTL_12dpi_Tect1_NEG2.raw SUBJECT_SAMPLE_FACTORS - CTL_12dpi_Tect1_NEG3 Sample source:Tectum | Treatment:Control RAW_FILE_NAME=CTL_12dpi_Tect1_NEG3.raw SUBJECT_SAMPLE_FACTORS - CTL_12dpi_Tect2_POS1 Sample source:Tectum | Treatment:Control RAW_FILE_NAME=CTL_12dpi_Tect2_POS1.raw SUBJECT_SAMPLE_FACTORS - CTL_12dpi_Tect2_POS2 Sample source:Tectum | Treatment:Control RAW_FILE_NAME=CTL_12dpi_Tect2_POS2.raw SUBJECT_SAMPLE_FACTORS - CTL_12dpi_Tect2_POS3 Sample source:Tectum | Treatment:Control RAW_FILE_NAME=CTL_12dpi_Tect2_POS3.raw SUBJECT_SAMPLE_FACTORS - CTL_12dpi_Tect2_NEG1 Sample source:Tectum | Treatment:Control RAW_FILE_NAME=CTL_12dpi_Tect2_NEG1.raw SUBJECT_SAMPLE_FACTORS - CTL_12dpi_Tect2_NEG2 Sample source:Tectum | Treatment:Control RAW_FILE_NAME=CTL_12dpi_Tect2_NEG2.raw SUBJECT_SAMPLE_FACTORS - CTL_12dpi_Tect2_NEG3 Sample source:Tectum | Treatment:Control RAW_FILE_NAME=CTL_12dpi_Tect2_NEG3.raw SUBJECT_SAMPLE_FACTORS - CTL_27dpi_Tect1_POS1 Sample source:Tectum | Treatment:Control RAW_FILE_NAME=CTL_27dpi_Tect1_POS1.raw SUBJECT_SAMPLE_FACTORS - CTL_27dpi_Tect1_POS2 Sample source:Tectum | Treatment:Control RAW_FILE_NAME=CTL_27dpi_Tect1_POS2.raw SUBJECT_SAMPLE_FACTORS - CTL_27dpi_Tect1_POS3 Sample source:Tectum | Treatment:Control RAW_FILE_NAME=CTL_27dpi_Tect1_POS3.raw SUBJECT_SAMPLE_FACTORS - CTL_27dpi_Tect1_NEG1 Sample source:Tectum | Treatment:Control RAW_FILE_NAME=CTL_27dpi_Tect1_NEG1.raw SUBJECT_SAMPLE_FACTORS - CTL_27dpi_Tect1_NEG2 Sample source:Tectum | Treatment:Control RAW_FILE_NAME=CTL_27dpi_Tect1_NEG2.raw SUBJECT_SAMPLE_FACTORS - CTL_27dpi_Tect1_NEG3 Sample source:Tectum | Treatment:Control RAW_FILE_NAME=CTL_27dpi_Tect1_NEG3.raw SUBJECT_SAMPLE_FACTORS - CTL_27dpi_Tect2_POS1 Sample source:Tectum | Treatment:Control RAW_FILE_NAME=CTL_27dpi_Tect2_POS1.raw SUBJECT_SAMPLE_FACTORS - CTL_27dpi_Tect2_POS2 Sample source:Tectum | Treatment:Control RAW_FILE_NAME=CTL_27dpi_Tect2_POS2.raw SUBJECT_SAMPLE_FACTORS - CTL_27dpi_Tect2_POS3 Sample source:Tectum | Treatment:Control RAW_FILE_NAME=CTL_27dpi_Tect2_POS3.raw SUBJECT_SAMPLE_FACTORS - CTL_27dpi_Tect2_NEG1 Sample source:Tectum | Treatment:Control RAW_FILE_NAME=CTL_27dpi_Tect2_NEG1.raw SUBJECT_SAMPLE_FACTORS - CTL_27dpi_Tect2_NEG2 Sample source:Tectum | Treatment:Control RAW_FILE_NAME=CTL_27dpi_Tect2_NEG2.raw SUBJECT_SAMPLE_FACTORS - CTL_27dpi_Tect2_NEG3 Sample source:Tectum | Treatment:Control RAW_FILE_NAME=CTL_27dpi_Tect2_NEG3.raw SUBJECT_SAMPLE_FACTORS - CTL_27dpi_Tect3_POS1 Sample source:Tectum | Treatment:Control RAW_FILE_NAME=CTL_27dpi_Tect3_POS1.raw SUBJECT_SAMPLE_FACTORS - CTL_27dpi_Tect3_POS2 Sample source:Tectum | Treatment:Control RAW_FILE_NAME=CTL_27dpi_Tect3_POS2.raw SUBJECT_SAMPLE_FACTORS - CTL_27dpi_Tect3_POS3 Sample source:Tectum | Treatment:Control RAW_FILE_NAME=CTL_27dpi_Tect3_POS3.raw SUBJECT_SAMPLE_FACTORS - CTL_27dpi_Tect3_NEG1 Sample source:Tectum | Treatment:Control RAW_FILE_NAME=CTL_27dpi_Tect3_NEG1.raw SUBJECT_SAMPLE_FACTORS - CTL_27dpi_Tect3_NEG2 Sample source:Tectum | Treatment:Control RAW_FILE_NAME=CTL_27dpi_Tect3_NEG2.raw SUBJECT_SAMPLE_FACTORS - CTL_27dpi_Tect3_NEG3 Sample source:Tectum | Treatment:Control RAW_FILE_NAME=CTL_27dpi_Tect3_NEG3.raw SUBJECT_SAMPLE_FACTORS - CX_12dpi_Tect1_POS1 Sample source:Tectum | Treatment:Crush RAW_FILE_NAME=CX_12dpi_Tect1_POS1.raw SUBJECT_SAMPLE_FACTORS - CX_12dpi_Tect1_POS2 Sample source:Tectum | Treatment:Crush RAW_FILE_NAME=CX_12dpi_Tect1_POS2.raw SUBJECT_SAMPLE_FACTORS - CX_12dpi_Tect1_POS3 Sample source:Tectum | Treatment:Crush RAW_FILE_NAME=CX_12dpi_Tect1_POS3.raw SUBJECT_SAMPLE_FACTORS - CX_12dpi_Tect1_NEG1 Sample source:Tectum | Treatment:Crush RAW_FILE_NAME=CX_12dpi_Tect1_NEG1.raw SUBJECT_SAMPLE_FACTORS - CX_12dpi_Tect1_NEG2 Sample source:Tectum | Treatment:Crush RAW_FILE_NAME=CX_12dpi_Tect1_NEG2.raw SUBJECT_SAMPLE_FACTORS - CX_12dpi_Tect1_NEG3 Sample source:Tectum | Treatment:Crush RAW_FILE_NAME=CX_12dpi_Tect1_NEG3.raw SUBJECT_SAMPLE_FACTORS - CX_12dpi_Tect2_POS1 Sample source:Tectum | Treatment:Crush RAW_FILE_NAME=CX_12dpi_Tect2_POS1.raw SUBJECT_SAMPLE_FACTORS - CX_12dpi_Tect2_POS2 Sample source:Tectum | Treatment:Crush RAW_FILE_NAME=CX_12dpi_Tect2_POS2.raw SUBJECT_SAMPLE_FACTORS - CX_12dpi_Tect2_POS3 Sample source:Tectum | Treatment:Crush RAW_FILE_NAME=CX_12dpi_Tect2_POS3.raw SUBJECT_SAMPLE_FACTORS - CX_12dpi_Tect2_NEG1 Sample source:Tectum | Treatment:Crush RAW_FILE_NAME=CX_12dpi_Tect2_NEG1.raw SUBJECT_SAMPLE_FACTORS - CX_12dpi_Tect2_NEG2 Sample source:Tectum | Treatment:Crush RAW_FILE_NAME=CX_12dpi_Tect2_NEG2.raw SUBJECT_SAMPLE_FACTORS - CX_12dpi_Tect2_NEG3 Sample source:Tectum | Treatment:Crush RAW_FILE_NAME=CX_12dpi_Tect2_NEG3.raw SUBJECT_SAMPLE_FACTORS - CX_27dpi_Tect1_POS1 Sample source:Tectum | Treatment:Crush RAW_FILE_NAME=CX_27dpi_Tect1_POS1.raw SUBJECT_SAMPLE_FACTORS - CX_27dpi_Tect1_POS2 Sample source:Tectum | Treatment:Crush RAW_FILE_NAME=CX_27dpi_Tect1_POS2.raw SUBJECT_SAMPLE_FACTORS - CX_27dpi_Tect1_POS3 Sample source:Tectum | Treatment:Crush RAW_FILE_NAME=CX_27dpi_Tect1_POS3.raw SUBJECT_SAMPLE_FACTORS - CX_27dpi_Tect1_NEG1 Sample source:Tectum | Treatment:Crush RAW_FILE_NAME=CX_27dpi_Tect1_NEG1.raw SUBJECT_SAMPLE_FACTORS - CX_27dpi_Tect1_NEG2 Sample source:Tectum | Treatment:Crush RAW_FILE_NAME=CX_27dpi_Tect1_NEG2.raw SUBJECT_SAMPLE_FACTORS - CX_27dpi_Tect1_NEG3 Sample source:Tectum | Treatment:Crush RAW_FILE_NAME=CX_27dpi_Tect1_NEG3.raw SUBJECT_SAMPLE_FACTORS - CX_27dpi_Tect2_POS1 Sample source:Tectum | Treatment:Crush RAW_FILE_NAME=CX_27dpi_Tect2_POS1.raw SUBJECT_SAMPLE_FACTORS - CX_27dpi_Tect2_POS2 Sample source:Tectum | Treatment:Crush RAW_FILE_NAME=CX_27dpi_Tect2_POS2.raw SUBJECT_SAMPLE_FACTORS - CX_27dpi_Tect2_POS3 Sample source:Tectum | Treatment:Crush RAW_FILE_NAME=CX_27dpi_Tect2_POS3.raw SUBJECT_SAMPLE_FACTORS - CX_27dpi_Tect2_NEG1 Sample source:Tectum | Treatment:Crush RAW_FILE_NAME=CX_27dpi_Tect2_NEG1.raw SUBJECT_SAMPLE_FACTORS - CX_27dpi_Tect2_NEG2 Sample source:Tectum | Treatment:Crush RAW_FILE_NAME=CX_27dpi_Tect2_NEG2.raw SUBJECT_SAMPLE_FACTORS - CX_27dpi_Tect2_NEG3 Sample source:Tectum | Treatment:Crush RAW_FILE_NAME=CX_27dpi_Tect2_NEG3.raw SUBJECT_SAMPLE_FACTORS - Left_Tect_SHAM1_POS1 Sample source:Tectum | Treatment:Sham RAW_FILE_NAME=Left_Tect_SHAM1_POS1.raw SUBJECT_SAMPLE_FACTORS - Left_Tect_SHAM1_POS2 Sample source:Tectum | Treatment:Sham RAW_FILE_NAME=Left_Tect_SHAM1_POS2.raw SUBJECT_SAMPLE_FACTORS - Left_Tect_SHAM1_POS3 Sample source:Tectum | Treatment:Sham RAW_FILE_NAME=Left_Tect_SHAM1_POS3.raw SUBJECT_SAMPLE_FACTORS - Left_Tect_SHAM1_NEG1 Sample source:Tectum | Treatment:Sham RAW_FILE_NAME=Left_Tect_SHAM1_NEG1.raw SUBJECT_SAMPLE_FACTORS - Left_Tect_SHAM1_NEG2 Sample source:Tectum | Treatment:Sham RAW_FILE_NAME=Left_Tect_SHAM1_NEG2.raw SUBJECT_SAMPLE_FACTORS - Left_Tect_SHAM1_NEG3 Sample source:Tectum | Treatment:Sham RAW_FILE_NAME=Left_Tect_SHAM1_NEG3.raw SUBJECT_SAMPLE_FACTORS - Left_Tect_SHAM2_POS1 Sample source:Tectum | Treatment:Sham RAW_FILE_NAME=Left_Tect_SHAM2_POS1.raw SUBJECT_SAMPLE_FACTORS - Left_Tect_SHAM2_POS2 Sample source:Tectum | Treatment:Sham RAW_FILE_NAME=Left_Tect_SHAM2_POS2.raw SUBJECT_SAMPLE_FACTORS - Left_Tect_SHAM2_POS3 Sample source:Tectum | Treatment:Sham RAW_FILE_NAME=Left_Tect_SHAM2_POS3.raw SUBJECT_SAMPLE_FACTORS - Left_Tect_SHAM2_NEG1 Sample source:Tectum | Treatment:Sham RAW_FILE_NAME=Left_Tect_SHAM2_NEG1.raw SUBJECT_SAMPLE_FACTORS - Left_Tect_SHAM2_NEG2 Sample source:Tectum | Treatment:Sham RAW_FILE_NAME=Left_Tect_SHAM2_NEG2.raw SUBJECT_SAMPLE_FACTORS - Left_Tect_SHAM2_NEG3 Sample source:Tectum | Treatment:Sham RAW_FILE_NAME=Left_Tect_SHAM2_NEG3.raw SUBJECT_SAMPLE_FACTORS - Pooled_QC1_MS1_Tect_POS1 Sample source:Tectum | Treatment:QC RAW_FILE_NAME=Pooled_QC1_MS1_Tect_POS1.raw SUBJECT_SAMPLE_FACTORS - Pooled_QC1_MS1_Tect_POS2 Sample source:Tectum | Treatment:QC RAW_FILE_NAME=Pooled_QC1_MS1_Tect_POS2.raw SUBJECT_SAMPLE_FACTORS - Pooled_QC1_MS1_Tect_NEG1 Sample source:Tectum | Treatment:QC RAW_FILE_NAME=Pooled_QC1_MS1_Tect_NEG1.raw SUBJECT_SAMPLE_FACTORS - Pooled_QC1_MS1_Tect_NEG2 Sample source:Tectum | Treatment:QC RAW_FILE_NAME=Pooled_QC1_MS1_Tect_NEG2.raw SUBJECT_SAMPLE_FACTORS - Pooled_QC1_MS2_Tect_POS1 Sample source:Tectum | Treatment:QC RAW_FILE_NAME=Pooled_QC1_MS2_Tect_POS1.raw SUBJECT_SAMPLE_FACTORS - Pooled_QC1_MS2_Tect_POS2 Sample source:Tectum | Treatment:QC RAW_FILE_NAME=Pooled_QC1_MS2_Tect_POS2.raw SUBJECT_SAMPLE_FACTORS - Pooled_QC1_MS2_Tect_NEG1 Sample source:Tectum | Treatment:QC RAW_FILE_NAME=Pooled_QC1_MS2_Tect_NEG1.raw SUBJECT_SAMPLE_FACTORS - Pooled_QC1_MS2_Tect_NEG2 Sample source:Tectum | Treatment:QC RAW_FILE_NAME=Pooled_QC1_MS2_Tect_NEG2.raw SUBJECT_SAMPLE_FACTORS - Pooled_QC2_MS1_Tect_POS1 Sample source:Tectum | Treatment:QC RAW_FILE_NAME=Pooled_QC2_MS1_Tect_POS1.raw SUBJECT_SAMPLE_FACTORS - Pooled_QC2_MS1_Tect_POS2 Sample source:Tectum | Treatment:QC RAW_FILE_NAME=Pooled_QC2_MS1_Tect_POS2.raw SUBJECT_SAMPLE_FACTORS - Pooled_QC2_MS1_Tect_NEG1 Sample source:Tectum | Treatment:QC RAW_FILE_NAME=Pooled_QC2_MS1_Tect_NEG1.raw SUBJECT_SAMPLE_FACTORS - Pooled_QC2_MS1_Tect_NEG2 Sample source:Tectum | Treatment:QC RAW_FILE_NAME=Pooled_QC2_MS1_Tect_NEG2.raw SUBJECT_SAMPLE_FACTORS - Pooled_QC2_MS2_Tect_POS1 Sample source:Tectum | Treatment:QC RAW_FILE_NAME=Pooled_QC2_MS2_Tect_POS1.raw SUBJECT_SAMPLE_FACTORS - Pooled_QC2_MS2_Tect_POS2 Sample source:Tectum | Treatment:QC RAW_FILE_NAME=Pooled_QC2_MS2_Tect_POS2.raw SUBJECT_SAMPLE_FACTORS - Pooled_QC2_MS2_Tect_NEG1 Sample source:Tectum | Treatment:QC RAW_FILE_NAME=Pooled_QC2_MS2_Tect_NEG1.raw SUBJECT_SAMPLE_FACTORS - Pooled_QC2_MS2_Tect_NEG2 Sample source:Tectum | Treatment:QC RAW_FILE_NAME=Pooled_QC2_MS2_Tect_NEG2.raw SUBJECT_SAMPLE_FACTORS - Right_Tect_SHAM1_POS1 Sample source:Tectum | Treatment:Sham RAW_FILE_NAME=Right_Tect_SHAM1_POS1.raw SUBJECT_SAMPLE_FACTORS - Right_Tect_SHAM1_POS2 Sample source:Tectum | Treatment:Sham RAW_FILE_NAME=Right_Tect_SHAM1_POS2.raw SUBJECT_SAMPLE_FACTORS - Right_Tect_SHAM1_POS3 Sample source:Tectum | Treatment:Sham RAW_FILE_NAME=Right_Tect_SHAM1_POS3.raw SUBJECT_SAMPLE_FACTORS - Right_Tect_SHAM1_NEG1 Sample source:Tectum | Treatment:Sham RAW_FILE_NAME=Right_Tect_SHAM1_NEG1.raw SUBJECT_SAMPLE_FACTORS - Right_Tect_SHAM1_NEG2 Sample source:Tectum | Treatment:Sham RAW_FILE_NAME=Right_Tect_SHAM1_NEG2.raw SUBJECT_SAMPLE_FACTORS - Right_Tect_SHAM1_NEG3 Sample source:Tectum | Treatment:Sham RAW_FILE_NAME=Right_Tect_SHAM1_NEG3.raw SUBJECT_SAMPLE_FACTORS - Right_Tect_SHAM2_POS1 Sample source:Tectum | Treatment:Sham RAW_FILE_NAME=Right_Tect_SHAM2_POS1.raw SUBJECT_SAMPLE_FACTORS - Right_Tect_SHAM2_POS2 Sample source:Tectum | Treatment:Sham RAW_FILE_NAME=Right_Tect_SHAM2_POS2.raw SUBJECT_SAMPLE_FACTORS - Right_Tect_SHAM2_POS3 Sample source:Tectum | Treatment:Sham RAW_FILE_NAME=Right_Tect_SHAM2_POS3.raw SUBJECT_SAMPLE_FACTORS - Right_Tect_SHAM2_NEG1 Sample source:Tectum | Treatment:Sham RAW_FILE_NAME=Right_Tect_SHAM2_NEG1.raw SUBJECT_SAMPLE_FACTORS - Right_Tect_SHAM2_NEG2 Sample source:Tectum | Treatment:Sham RAW_FILE_NAME=Right_Tect_SHAM2_NEG2.raw SUBJECT_SAMPLE_FACTORS - Right_Tect_SHAM2_NEG3 Sample source:Tectum | Treatment:Sham RAW_FILE_NAME=Right_Tect_SHAM2_NEG3.raw #COLLECTION CO:COLLECTION_SUMMARY The tissue was removed via dissection from the optic nerve head to the optic CO:COLLECTION_SUMMARY chiasm. The tecta were collected at 12- and 27-days post crush and separated CO:COLLECTION_SUMMARY into biological samples. Due to the small tissue and metabolomics resolution CO:COLLECTION_SUMMARY constraints, tissues were pooled to generate higher signal intensities. A total CO:COLLECTION_SUMMARY of 3 tecta were pooled into one tube. CO:SAMPLE_TYPE Eye tissue #TREATMENT TR:TREATMENT_SUMMARY Optic nerves from each transgenic Tg(Islet2b:EGFP-RPL10a) Xenopus laevis frogs, TR:TREATMENT_SUMMARY 3.5 - 5.0 cm in length, underwent monocular surgery of either a left optic crush TR:TREATMENT_SUMMARY injury (crush) or sham surgery (sham). The matching controls of uninjured right TR:TREATMENT_SUMMARY optic nerves were also collected (control). Operated individuals were TR:TREATMENT_SUMMARY anesthetized with 0.05% ethyl 3-aminobenzoate methanesulfonate (Sigma, USA). #SAMPLEPREP SP:SAMPLEPREP_SUMMARY Tecta remained on dry ice to prevent metabolite degradation while the metabolite SP:SAMPLEPREP_SUMMARY extraction was conducted. Tissues were transferred to 0.5mL Soft Tissue Lysing SP:SAMPLEPREP_SUMMARY Kit Precellys tubes containing beads. Then, 84 µL of chilled 1:1 MeOH/H2O were SP:SAMPLEPREP_SUMMARY added to Precellys tube. Pre-extraction internal standards were added to the SP:SAMPLEPREP_SUMMARY tubes: 5µl of 1mg/ml Caffeine 13C6, 5µl of 1mg/ml D-Glucose 13C6, 5µl of SP:SAMPLEPREP_SUMMARY 1mg/ml Oleic Acid 13C5, and 1µl of 5mg/mL Isoleucine 13C6 to each sample. SP:SAMPLEPREP_SUMMARY Tissues were homogenized using Precellys 24 Touch. Cycle parameters: 2 cycles: SP:SAMPLEPREP_SUMMARY 30 seconds homogenization at 4500 rpm, 10 seconds rest. Homogenate was SP:SAMPLEPREP_SUMMARY transferred to a microcentrifuge tube and centrifuged at 18000xrcf for 20 min at SP:SAMPLEPREP_SUMMARY 4°C. Then, collect supernatant and transfer pellet to Precellys Lysing Kit SP:SAMPLEPREP_SUMMARY tube. Add 84uL of 8:1:1 Acetonitrile/Methanol/Acetone to pellet and add the rest SP:SAMPLEPREP_SUMMARY of the pre-extraction internal standards: 5µl of 1mg/ml Caffeine 13C6, 5µl of SP:SAMPLEPREP_SUMMARY 1mg/ml D-Glucose 13C6, 5µl of 1mg/ml Oleic Acid 13C5, 1µl of 5mg/mL Isoleucine SP:SAMPLEPREP_SUMMARY 13C6. Final pre-extraction internal standards concentrations are 50μg/mL. SP:SAMPLEPREP_SUMMARY Homogenization cycles were repeating using Precellys 24 Touch. Centrifuge as SP:SAMPLEPREP_SUMMARY before and add second supernatant to first round of collected supernatant. SP:SAMPLEPREP_SUMMARY Centrifuge at 1800xrcf for 20 min once more to remove any remaining tissue SP:SAMPLEPREP_SUMMARY debris. Collect supernatant and dry supernatant in Speedvac. Two extraction SP:SAMPLEPREP_SUMMARY blanks were prepared in the same manner as the biological samples. Dried samples SP:SAMPLEPREP_SUMMARY were reconstituted immediately in 0.1% formic acid in 44.75µL of HPLC-MS grade SP:SAMPLEPREP_SUMMARY water. Post-extraction internal standards were added: 25 µl of 5mg/ml SP:SAMPLEPREP_SUMMARY Phenylalanine 13C6, 2.5 µl of .5mg/ml Uracil 13C 15N2, 1.25 µl of 1mg/ml SP:SAMPLEPREP_SUMMARY Arginine 13C6, 1.25 µl of 1mg/ml Serine 13C3 to each sample. #CHROMATOGRAPHY CH:CHROMATOGRAPHY_SUMMARY Negative ion mode CH:CHROMATOGRAPHY_TYPE HILIC CH:INSTRUMENT_NAME Thermo Vanquish CH:COLUMN_NAME Thermo Accucore Amide HILIC (150 x 2.1mm, 2.6um) CH:SOLVENT_A 95% acetonitrile/5% water; 10mM Ammonium Acetate; 0.1% acetic acid CH:SOLVENT_B 50% acetonitrile/50% water; 10mM Ammonium Acetate; 0.1% acetic acid CH:FLOW_GRADIENT The gradient began at 1.0% B for 1 min, then shifted to 95.0% B for 9 minutes, CH:FLOW_GRADIENT then stayed at 95.0% B for 1 min before ramping down quickly to 1.0% B for 5 CH:FLOW_GRADIENT minutes. CH:FLOW_RATE 0.5 ml/min CH:COLUMN_TEMPERATURE 35 C #ANALYSIS AN:ANALYSIS_TYPE MS #MS MS:INSTRUMENT_NAME Thermo Q Exactive Orbitrap MS:INSTRUMENT_TYPE Orbitrap MS:MS_TYPE ESI MS:ION_MODE NEGATIVE MS:MS_COMMENTS The samples were run using a Q ExactiveTM mass spectrometer coupled to a heated MS:MS_COMMENTS electrospray ionization (HESI) source. The spray voltage was set to 3.50 kV, MS:MS_COMMENTS capillary temperature to 350°C, sheath gas to 55, aux gas to 14, sweep gas to MS:MS_COMMENTS 4, and S-Lens RF Level to 30.0. The mass range was set to 67 – 1000 m/z, MS:MS_COMMENTS resolution 140,000 for full scan and 35,000 for ddMS2. AGC target was set to 1e6 MS:MS_COMMENTS for full scan and 2e5 for ddMS2. The max injection time (IT) was 100 seconds for MS:MS_COMMENTS full scan mode and 50 seconds for ddMS2. The number of microscans was 2, and MS:MS_COMMENTS normalized collision energy (NCE) was set to 20, 35, and 50. Samples were run in MS:MS_COMMENTS both positive and negative ion mode separately. The parameters for negative mode MS:MS_COMMENTS were the same except the spray voltage, which was set to 2.50 kV and capillary MS:MS_COMMENTS temperature to 380°C. Metabolites were identified from their Thermo.RAW scans MS:MS_COMMENTS using Compound DiscovererTM 3.3 software. Extraction blanks were used to MS:MS_COMMENTS determine and correct for reagent effects, allow for the creation of exclusions MS:MS_COMMENTS lists, mark background components, and filters the background components from MS:MS_COMMENTS the results table in Compound DiscovererTM 3.3. Pooled QCs were used for initial MS:MS_COMMENTS compound normalization and identification. All non-identified compounds were MS:MS_COMMENTS removed. #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS Peak area MS_METABOLITE_DATA_START Samples CTL_12dpi_Tect1_NEG1 CTL_12dpi_Tect1_NEG2 CTL_12dpi_Tect1_NEG3 CTL_12dpi_Tect2_NEG1 CTL_12dpi_Tect2_NEG2 CTL_12dpi_Tect2_NEG3 CTL_27dpi_Tect1_NEG1 CTL_27dpi_Tect1_NEG2 CTL_27dpi_Tect1_NEG3 CTL_27dpi_Tect2_NEG1 CTL_27dpi_Tect2_NEG2 CTL_27dpi_Tect2_NEG3 CTL_27dpi_Tect3_NEG1 CTL_27dpi_Tect3_NEG2 CTL_27dpi_Tect3_NEG3 CX_12dpi_Tect1_NEG1 CX_12dpi_Tect1_NEG2 CX_12dpi_Tect1_NEG3 CX_12dpi_Tect2_NEG1 CX_12dpi_Tect2_NEG2 CX_12dpi_Tect2_NEG3 CX_27dpi_Tect1_NEG1 CX_27dpi_Tect1_NEG2 CX_27dpi_Tect1_NEG3 CX_27dpi_Tect2_NEG1 CX_27dpi_Tect2_NEG2 CX_27dpi_Tect2_NEG3 Left_Tect_SHAM1_NEG1 Left_Tect_SHAM1_NEG2 Left_Tect_SHAM1_NEG3 Left_Tect_SHAM2_NEG1 Left_Tect_SHAM2_NEG2 Left_Tect_SHAM2_NEG3 Pooled_QC1_MS1_Tect_NEG1 Pooled_QC1_MS1_Tect_NEG2 Pooled_QC2_MS1_Tect_NEG1 Pooled_QC2_MS1_Tect_NEG2 Right_Tect_SHAM1_NEG1 Right_Tect_SHAM1_NEG2 Right_Tect_SHAM1_NEG3 Right_Tect_SHAM2_NEG1 Right_Tect_SHAM2_NEG2 Right_Tect_SHAM2_NEG3 Blank_NEG1 Blank_NEG2 Blank_NEG3 Factors Sample source:Tectum | Treatment:Control Sample source:Tectum | Treatment:Control Sample source:Tectum | Treatment:Control Sample source:Tectum | Treatment:Control Sample source:Tectum | Treatment:Control Sample source:Tectum | Treatment:Control Sample source:Tectum | Treatment:Control Sample source:Tectum | Treatment:Control Sample source:Tectum | Treatment:Control Sample source:Tectum | Treatment:Control Sample source:Tectum | Treatment:Control Sample source:Tectum | Treatment:Control Sample source:Tectum | Treatment:Control Sample source:Tectum | Treatment:Control Sample source:Tectum | Treatment:Control Sample source:Tectum | Treatment:Crush Sample source:Tectum | Treatment:Crush Sample source:Tectum | Treatment:Crush Sample source:Tectum | Treatment:Crush Sample source:Tectum | Treatment:Crush Sample source:Tectum | Treatment:Crush Sample source:Tectum | Treatment:Crush Sample source:Tectum | Treatment:Crush Sample source:Tectum | Treatment:Crush Sample source:Tectum | Treatment:Crush Sample source:Tectum | Treatment:Crush Sample source:Tectum | Treatment:Crush Sample source:Tectum | Treatment:Sham Sample source:Tectum | Treatment:Sham Sample source:Tectum | Treatment:Sham Sample source:Tectum | Treatment:Sham Sample source:Tectum | Treatment:Sham Sample source:Tectum | Treatment:Sham Sample source:Tectum | Treatment:QC Sample source:Tectum | Treatment:QC Sample source:Tectum | Treatment:QC Sample source:Tectum | Treatment:QC Sample source:Tectum | Treatment:Sham Sample source:Tectum | Treatment:Sham Sample source:Tectum | Treatment:Sham Sample source:Tectum | Treatment:Sham Sample source:Tectum | Treatment:Sham Sample source:Tectum | Treatment:Sham Sample source:NA | Treatment:Extraction Blank Sample source:NA | Treatment:Extraction Blank Sample source:NA | Treatment:Extraction Blank 1_3_7-Trimethyluricacid 1737599.541 8187703.062 7081524.033 52739793.44 19956179.06 7040454.658 936984.3583 1750176.798 1254564.732 7494355.563 4235109.834 6414038.76 10162432.22 27523954.08 5271849.633 2359751.503 2282827.628 22721193.38 3666129.505 12064319.16 1542866.759 1994642.917 2227995.27 2044579.448 1119112.889 5340849.572 33020624.09 1511272.834 1252260.796 1170647.671 17591996.23 14418030.61 2529104.483 2817661.896 3102132.044 22064633.26 4393189.328 2405688.415 46165630.73 12208062.07 17287031.39 6779006.292 1444597.648 61665.68077 75356.19544 38257.96572 1D-chiro-inositol 10008535.29 1375154.85 215545.4293 599969.0404 598898.5197 488997.9392 360396.7421 229438.6326 475835.3866 360553.5275 237697.1064 157542.6654 611169.3349 256297.569 204253.8695 1654972.953 1302087.943 322195.4597 698070.8254 2611384.852 259853.0016 1435744.318 1940357.191 539053.6956 743163.6719 1188818.63 357963.6228 1780688.326 1250052.921 352531.2494 1439877.978 2140436.571 153507041.4 64591370.4 4101193.74 434745.6677 1884558.601 1667619.538 4076370.724 100729.2081 8509517.357 6929698.853 7813059.126 4870.854614 4943.146508 4858.660931 2,3,4,5-Tetrahydroxypentanal 2418085.053 404144.8488 239160.6574 665460.1254 598337.5332 292440.215 1631961.334 803184.5843 1032192.435 1030727.862 1070339.68 844122.3617 897845.9806 469897.4877 853695.6729 1557682.897 1263581.067 1526637.622 165481.8693 416395.0528 1542491.327 1504291.724 1189044.801 1378232.215 1128764.916 869904.2294 633898.4706 1319074.519 870539.4338 1041865.604 764798.2604 174169.9598 25635759.47 26515738.51 164857.8531 967109.7954 504326.6539 770274.5314 615668.658 1241900.156 176764.5247 107621.9091 3108025.737 16153.32919 13544.04173 13021.90149 2-arachidonyl-sn-glycero-3-phosphoethanolamine 2510841.257 2147716.476 322594.34 1475634.743 3642305.328 123600.8711 140265.6977 86683.31363 112422.4905 164776.541 87674.00199 87128.20075 642968.1247 4568568.164 88902.179 1063029.966 1739484.521 1822450.92 271736.0144 3338885.125 88358.67747 753903.8685 380361.2803 116317.8373 359486.8984 525759.7433 1072027.64 1020103.972 1901248.827 67473.51289 843207.9564 505170.5537 4931550.059 8165318.442 11522981.95 2756693.998 5392527.232 483569.6649 392082.9078 49801.9174 1466327.983 317853.1334 8088614.672 2295.271876 1405.160712 1210.058259 2-Dodecylbenzenesulfonic acid 1049869.575 275084.7337 165066.4775 7118840.709 11385698.89 141654.1717 1919191.666 1316140.844 1842338.015 471360.5365 1050427.073 5079040.579 2426799.537 885171.3901 974820.1942 5674645.546 4878587.138 1674254.854 324491.4289 2102131.042 1098751.762 5765368.177 3333295.518 1105140.152 5504698.26 2980292.856 954268.9298 3346447.691 1745662.511 2248778.912 2831685.712 183869.9662 54081253.03 60013765.9 162808.1423 2822081.237 119578.6412 9306086.133 1739362.778 498308.2268 458440.044 335587.7354 703678.2686 45847.74067 91593.04455 73792.50391 2-Hydroxymethylserine 180425209.2 39232568.94 4782172.028 26197617.38 34939898.62 3358121.28 5338266.94 1401165.532 1109468.449 1066864.035 1078233.434 978723.8447 36467357.69 5843719.148 1432043.203 62790002.39 27715904.32 10403297.47 30825507.72 23245639.84 1257344.587 18973361.04 8848765.865 1289494.134 5983719.323 13548564.58 4338449.401 63627481.05 75899199.47 1140695.64 11437595.18 9055574.74 893873428.7 768973491.9 31296695.71 29470267.31 26746906.74 48298639.14 25261897.45 1365176.234 28784426.52 23215323 122350719.9 20748.29605 18161.87393 16775.96293 3-Hydroxynonanoic acid 403448.7615 30743.08295 113233.1501 255544.4294 414517.9235 36964.04104 383973.3091 264718.9746 435930.3621 67179.79536 354041.1434 426609.9596 345418.6444 235467.6244 337996.5671 1426238.662 586951.1629 281397.9947 41231.33258 226469.9222 540044.377 861724.9678 889348.8258 553101.5694 670810.3568 195227.9453 197029.035 933123.4303 965664.8436 499452.3555 349112.2311 35288.39954 17454886.24 15026360.67 28994.10172 191648.6948 30496.02275 569753.8257 222654.3265 148431.2725 43827.38198 28641.01435 1200762.294 34969.20674 247528.2462 21976.12139 4-Undecylbenzenesulfonic acid 655831.6811 124808.4377 157461.2062 1153838.366 541418.4038 91082.69553 1541092.846 1131945.24 1758012.533 344147.8231 747160.6972 1152449.943 2118065.088 550998.2807 487964.3777 10987018.73 2648055.662 1091943.32 236430.2204 1345249.303 664230.652 3805877.993 2713219.044 890811.7764 3710856.155 2007248.319 355959.4355 2462244.565 1172215.644 832610.9091 1369489.602 81534.64323 62111916.15 42725666.58 125443.6037 2113942.777 398080.4876 6628373.529 1730067.193 350952.9064 421932.8623 585526.8472 2886830.6 28093.64643 36186.32087 203977.6517 8-Hydroxy-3-(methylamino)-2,3,4,4a,9,9a-hexahydro-1H-carbazole-6-carboxamide 4964407.984 27642030.4 7040662.845 53697236.03 1787722.184 2237664.298 3467914.852 1568139.843 348419.9453 2687176.486 1395882.098 2498481.76 2192731.488 5094928.343 1647035.898 876131.8486 549254.0804 6427042.052 1148280.658 37238456.26 2516661.973 8733680.375 445695.747 614395.3679 759313.6608 5051686.249 3019554.77 6790252.182 413232.8755 740244.7492 16224611.49 10011010.05 195793.5785 109200.3293 1882524.402 7446450.844 2023639.117 900288.22 5609212.126 1569783.046 5621846.468 4163528.05 6367504.839 1014530.295 250086.893 761653.7941 Antimony trichloride 7417567.711 10486565.95 1159715.229 105131553.5 111657673 812341.2797 21078096.58 6455022.553 2494661.81 307331.3333 2590693.857 6662545.567 14374608.28 2175589.793 10065562.97 215417260.1 171441532 35027685.58 9087461.832 57215526.18 4053539.089 10192507.8 9466000.145 2934263.978 6980813.084 536772.3232 1301495.984 69998776.03 74101407.21 3762718.518 6903611.051 87483.21363 382780.5367 1010974.78 737009.3116 21909068.35 2619297.78 3348034.373 7435874.124 627276.1126 194814.91 869512.6871 44477.20553 122736.2065 207233.1485 168756.2858 Cimaterol 8687469.849 82161774.34 50779742.44 135099402 70591473.64 7546324.543 28707892.45 12153661.87 3342396.214 10616066.6 7834787.388 9598100.71 93562686.71 164263424.6 9668294.261 7513458.163 8855699.416 245026174 4761921.228 9184054.938 9007804.022 4556989.019 3086752.624 4439814.645 2940000.303 11788544.91 15201124.46 3057960.72 2776235.36 6569062.276 22204920.75 10797788.29 135614358.1 21340833.26 7118707.365 21057151.24 9238402.574 52545054.98 21796439.22 28076878.74 23406238.49 6283901.423 9788473.094 339026.8715 438481.1576 362060.4423 D-Glutamate 251965.4615 366072.22 30153.36935 15541.24781 17260.82415 92614.81068 27477.22957 18617.57617 38794.01212 21288.1587 17898.99765 12433.50459 17076.80315 10867.41435 14837.15112 39646.70014 39026.11312 14283.01392 143241.8292 156822.7451 19856.78001 72810.8161 75681.98123 39927.97158 54580.87433 170432.3532 12315.8291 67195.64937 41777.11013 28760.73103 20975.91868 76037.78836 1613305.374 2360358.981 486483.6595 17034.02901 182610.3982 41890.76782 15756.09484 9497.794155 101673.6006 364832.2675 108743.4225 431.4185781 414.3994845 400.3433834 Didanosine 111886275.3 62790822.8 65608669.75 524530087.2 467212444.9 318803750.1 544991458.4 1007374947 1082233968 60541890.7 311305675 779290759.4 1050898005 426312337.8 792144009.5 2516624454 619632264.6 428877415.7 70310505.96 485291555.6 846029181.4 1348588688 676639245.5 858565990.5 2022955070 73480476.76 648324495 648482528 1384699240 1413503433 622471739.5 100238716 118347070.6 276947721.9 95471300.63 339239118.6 88281007.62 597544596.5 955736744.5 651923835.1 139039717 87089561.24 79773723.8 14979942.92 6730293.478 17759340.2 difenoxin 211104.4825 93581.98571 168956.0276 118745.3029 35965.46153 133617.6815 60456.52057 39146.1215 86001.88255 183343.9188 40547.97445 28272.87273 36629.39196 214494.4611 40553.29272 79064.58281 81771.97577 118012.531 367357.12 2799038.534 50322.89998 151657.4548 132700.0271 87674.15369 102324.4381 172783.6179 406718.4097 129875.638 94760.14693 55370.45437 53248.71301 1045994.274 28621.87883 21050.89246 189909.0548 121564.2478 169616.6505 87252.08829 730608.6873 96641.19622 197031.5467 316373.447 138914.2347 781.9769673 844.6274286 790.3162418 Docosahexaenoicacid 61755.62155 6629.776513 16924.36634 93582.21806 175273.4297 20382.6221 215824.9516 153817.9412 175330.31 9494.154145 106711.7657 127071.0283 231369.675 99543.364 134986.1529 519718.7031 435411.5068 99596.24575 18847.51239 83946.65733 161032.3074 452302.3412 402108.9924 252217.5963 318131.0908 9277.058581 76673.16737 441278.1293 284428.4948 179521.907 128665.8824 15164.65723 50543261.1 39218093.36 10505.85754 123751.1245 7753.568114 246648.0222 99571.2201 54177.52458 16214.99708 11378.96735 15756.01995 2762.873584 3293.842635 2938.032273 ETHYL PROPYL DISULFIDE 130514985.7 55823598.95 3539098.429 16118949.69 17146414.84 4599296.023 906338.3649 1050822.975 726427.1871 6179930.319 878721.6537 591637.115 6923663.952 6181885.957 1055336.996 1812377.584 15240985.55 1360698.907 30014667.94 7467220.347 598670.6747 2756506.716 2288613.772 751597.2918 2123878.149 9307259.698 2213192.6 1937968.153 680185.8433 628611.0695 2888421.129 4881189.551 54033878.78 55906314.52 48613125.81 2974558.329 46172670.79 9719307.752 6654866.758 1768123.795 58043207.11 45875811 58099796.5 17177.02798 16083.67804 9868.49692 fenleuton 12329.78055 6385.755854 18716.48809 56201.93904 77025.51346 9979.897126 90370.43608 65306.59985 121378.3331 18584.93415 68501.84523 60454.31308 83285.56651 54338.91284 83110.55555 223067.9605 179245.6771 62346.40234 9594.776198 52295.40437 127108.772 226346.4947 188265.9523 139262.478 180545.9257 4703.643223 38090.47704 259814.3567 229461.4697 105339.9894 86833.34711 24746.61407 356492.0834 834000.7711 8072.976887 51025.10748 8491.164484 158639.4885 49847.84753 31867.89681 26026.05057 37920.97413 110827.8457 1854.007714 1728.787739 1614.770186 Imafen 702340959.4 536503417.2 534238448 967807432.9 1233213789 415664681.2 807557096.3 606595081.3 160435139.2 645980548.9 486423972.4 491850902.8 1052547311 969001373.7 557457729.6 437604385.4 544766051.7 981530990 373838067.8 499856939.7 149502948.9 103204769.1 137874404.4 244228011.4 170404496.4 494648538.3 964261646 67513865.82 253213803.9 371193550.3 584138785 540865136.8 967692241.2 754934393.3 503072918 1092969200 430873132.8 476765310.3 704679697.4 342910504.3 508333353.9 320144576.6 498564536.9 34156349.09 18045073.44 12259402.03 indanazoline 825285002.2 786355540.7 429361368.3 1351655354 848021469.2 449511380.2 526854265.3 656868965 226824853.9 477779032.8 459533668.3 657783011.4 1280947521 1110889841 702386256.4 558531499.9 654647627.8 870464442.9 562199281.6 751742756.8 611382798.3 100310041.2 103469396.9 299727255.2 205777311.7 576711124.6 721688296.1 140170724.2 364002533.6 486490104.7 846455872.4 579866001.1 1594038987 1294070349 337077839.8 1273138413 501264104.3 435746471.8 465358449 691951929 540513556.9 261254663.6 849662120.8 29897586.74 20943552.29 21075727.54 laurilsulfate 3228625.676 849319.087 256133.1813 7212638.841 4997119.902 85371.86294 680759.6925 1775775.933 1255085.219 113681.3133 538854.4417 783033.994 2930566.464 5086720.932 823337.9795 37992008.87 19508055.57 6034294.398 870446.9627 9770300.862 810028.3421 2590174.607 1346053.125 722777.7302 2484955.322 1722893.452 719501.1533 4244940.632 1976599.71 1183964.804 1999124.308 133841.952 13760530.25 36657295.64 189388.976 2007886.98 210542.723 1577637.701 1072470.103 352461.7603 280140.0016 128159.9372 250146.9078 79869.60295 50220.9972 50040.23015 L-Threonicacid 71774211.32 102782920.1 1574402.791 40691431.9 116536661.5 3114581.649 9452489.613 1428465.269 881352.4638 9174409.33 1007936.316 506883.3794 64001254.02 51768843.3 608237.5191 56174466.74 167513078.4 65300597.6 37416729.95 62433814.01 1088543.857 60621250.69 56308062.03 903671.0444 36373301.21 41464940.56 3578422.149 20984885.54 154636445.1 1005524.248 26905583.67 22708618.42 1289824932 1737937285 49273307.12 72423551.87 63108832.14 164916824 116313901.2 1622261.939 5366583.441 54815286.11 465164802.3 11127.21344 10806.45358 11579.48358 meglumine 133142657.6 150629088 1362268.745 55228151.52 28955055.41 1725732.466 293905.1949 370445.462 324560.2848 873067.9642 353838.344 373184.7889 11935722.83 31202552.25 437134.8118 5847712.608 14901007.28 12478529.1 245571406.3 117844999 292724.3816 3031831.307 6601560.332 329433.5367 6374589.647 30127609.8 28560948.57 16687816.71 10904263.57 237957.8322 8877009.302 141115796.2 92075412.2 127242118.4 194564911.1 32668604.16 137172923.2 11574634.54 61275267.23 1265571.879 255081209.1 234398778.7 130896139.5 8304.238705 5330.444957 4117.728854 N-Acetyl-L-histidine 1772833.958 596661.1295 18528.62592 639273.3092 1614399.031 23146.16609 381590.1959 218832.4442 293634.9464 26704.0899 201297.0605 104953.693 1460667.158 4251237.429 133676.6494 18170572 17387329.26 4687445.65 182369.9008 3980774.509 183840.968 25088678.34 8311342.882 335557.1936 1905193.523 41434.15427 450013.4793 17210061.62 5339499.828 251245.2721 7438953.306 1349351.634 311736740 251181831.2 181918.7243 1084474.428 73564.48468 6721672.423 1910812.33 69541.66114 1260990.359 235313.7982 801827.687 3338.93059 3126.714876 3149.230455 NTZdes 983543.1471 6475.040948 5240.698983 33631.18121 274485.5386 5052.550457 60254.8531 181763.2813 82041.66368 51883.60266 35642.85225 35822.85247 72359.07558 33721.18539 36669.99163 140487.1643 96126.48426 30119.69923 7139.204694 29606.83874 43314.8495 156910.0951 154988.7092 83320.65965 132546.3384 99054.64748 24958.69514 175931.4306 93660.12595 86891.08304 66167.191 6889.532096 527052.3006 1109357.68 7392.110941 44439.52777 6496.383243 79574.99725 31245.97019 21057.82331 5397.554017 4043.907865 19383.10712 854.8974639 1086.69185 984.7073874 Pantothenicacid(VitaminB5) 17229163.53 239998.6902 28740.41474 8482149.468 7646075.6 50215.90025 976822.9349 223344.3813 353911.8591 92835.25238 268922.1372 228072.2869 955731.1875 2002032.545 223532.948 2700561.314 2770174.863 626395.3113 255490.9399 806859.0601 442641.6316 2885792.739 632633.7777 356536.1553 1127282.899 3549453.546 254858.1553 6269041.902 3134207.344 419856.0918 1063456.263 247310.7691 51827543.08 56701720.17 113936.5396 630796.9435 1134129.361 2275536.7 950235.0338 186310.3572 299330.4223 327095.7233 20661426.47 4233.119728 4764.576621 3580.429355 Penciclovir 36386.99249 161875.206 51181.21979 22834.86916 28997.41677 88054.13492 43412.0123 25913.48267 55627.5601 77373.33402 29730.55439 19063.69884 25619.2447 18979.42288 25461.87342 63140.12786 57136.28914 21120.6717 3805.420467 18538.51677 32597.09712 116432.54 102276.7159 64058.30338 87683.25133 136050.8379 19212.33782 104336.2652 68291.47558 42870.03388 29673.91203 11806.16221 90924.52984 161315.2472 91893.76694 21520.11648 74913.20838 67662.38204 22004.61554 12254.62966 3676.776698 28506.2213 132601.6664 586.0985429 582.9945935 585.1114065 Phthalic acid 10639.87295 6048.323423 8687.36113 50270.90021 92936.60676 9181.145659 87924.7402 76438.94622 366449.8506 109543.193 62269.25323 68657.0328 85461.13398 132108.6594 145594.685 120783.6222 171601.9804 111237.4419 13232.21827 71325.27774 394011.227 392295.9352 170392.5748 117260.3409 201239.9399 43066.79799 46289.9595 467057.8125 133829.8398 152854.5425 111235.6725 15561.97767 783437.0544 193577.1237 44654.03218 96060.74909 6646.355881 116160.2628 50279.8984 48778.91402 40128.12953 16534.87432 84333.91649 3458.519582 1299.088107 16671.53319 Sedoheptulose 1377499.843 144591.0714 368771.4934 249211.3629 256928.3473 1110912.031 429036.6487 273310.1266 581793.3923 566444.756 275753.9315 188936.0655 267455.6992 185873.2453 253056.7481 590856.6968 592138.2098 222660.3616 45390.11232 194230.8014 311863.2687 1132166.506 1015396.956 674962.1672 889097.6061 984877.3449 172960.919 989870.9214 692959.3198 421305.4589 310604.7758 216626.7325 24497092.84 17476165.33 785482.2588 228272.3478 113814.2961 664981.1443 231004.5282 128543.5357 238100.7042 196380.4346 795377.3477 6596.418141 5763.343187 5958.325296 Selenium dioxide 247254.2255 102446.9609 274438.8218 335858.9066 85306.32258 156498.5072 70809.1557 45849.54255 101697.4855 228958.253 47491.4502 35416.53748 42901.84573 66531.45569 47497.67918 92603.68116 316739.1462 80317.92425 279093.9387 610625.3937 58940.24378 177627.4292 155423.7127 102687.5636 137678.8292 203303.2866 303685.4866 152115.6723 110986.9694 71805.69043 100968.1136 204749.8912 162634.2334 192739.2019 264426.1053 57570.65959 163510.927 116081.5933 62050.95719 155369.5011 85331.05538 225487.2848 164447.3889 915.8834864 989.2622755 1061.921317 tolonidine 198331625.8 311763407.6 356242047.5 1471367974 1195931223 876107389.5 1280376260 391832683.5 353182364.1 459585879 730111580.1 1005823928 1015417023 1428719402 668763481.8 431567346.8 512822059.1 1792866431 506431418.8 1399358950 462061652.6 716822745.8 675844244 401705152.9 676411153 306128402 1891895141 492113617.5 537265998.1 566317021.7 1188012625 640697402.5 473917209 378146567.1 565514077.6 1530636747 244662806.3 580025927.8 1542896442 1242421738 507322514.2 344204571.8 188527824.6 16111156 14464125.77 13206797.92 tramazoline 753672215.8 635356436.3 424870013.1 1249082288 956348421.7 312700008.1 1096384430 789440540 270586734.2 730741424.8 588489520.6 751840076.2 1354667346 922153444.8 763541500.6 558876794.2 530311469.9 1202318152 272427581.4 751778080.9 820417987.3 74958057.41 208087175.6 344901593.2 230931632.7 317471561.4 1138282239 78015165.34 459255531.4 526510320.9 776706016.9 514920908.1 1519827711 1057213420 408713000.2 1136596916 386343739.3 648642375.3 764056503.8 574302390.3 399948030.1 174605099.7 680901847.5 43046460.69 24996913.05 14863154.79 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name Calc. MW m/z RT [min] 1_3_7-Trimethyluricacid 210.07504 209.06777 4.844 1D-chiro-inositol 180.0630367 179.0555333 5.724333333 2,3,4,5-Tetrahydroxypentanal 150.05198 149.04465 3.04 2-arachidonyl-sn-glycero-3-phosphoethanolamine 501.2861 500.27882 3.967 2-Dodecylbenzenesulfonic acid 326.191845 325.18457 0.994 2-Hydroxymethylserine 135.0535333 134.0462167 2.905666667 3-Hydroxynonanoic acid 174.12485 173.11758 1.246 4-Undecylbenzenesulfonic acid 312.176225 311.168945 1.005 8-Hydroxy-3-(methylamino)-2,3,4,4a,9,9a-hexahydro-1H-carbazole-6-carboxamide 261.14794 260.14067 3.975 Antimony trichloride 225.8106167 224.8033433 2.583666667 Cimaterol 219.1369433 227.4615467 2.734333333 D-Glutamate 147.05256 146.04507 5.496 Didanosine 236.0908825 235.0836075 4.292125 difenoxin 424.21485 423.20758 5.193 Docosahexaenoicacid 328.24058 327.233285 0.786 ETHYL PROPYL DISULFIDE 136.03746 135.03019 4.087 fenleuton 314.10733 313.10006 1.256 Imafen 187.11059 186.10327 4.594846154 indanazoline 201.1263264 200.1189693 4.357857143 laurilsulfate 266.155415 265.14814 0.7735 L-Threonicacid 136.03751 135.030185 2.984 meglumine 195.11021 194.10293 4.465 N-Acetyl-L-histidine 197.079585 196.072305 6.5475 NTZdes 265.01597 264.00869 1.011 Pantothenicacid(VitaminB5) 219.11042 218.1031 2.699 Penciclovir 253.11641 252.10913 5.956 Phthalic acid 166.02593 165.01865 1.734 Sedoheptulose 210.07372 209.06631 5.739 Selenium dioxide 111.90622 110.89894 5.185 tolonidine 209.0716818 208.0644073 6.297181818 tramazoline 215.1421182 214.1348209 3.650545455 METABOLITES_END #END