#METABOLOMICS WORKBENCH sbhattacharya_20240611_104138 DATATRACK_ID:4907 STUDY_ID:ST003280 ANALYSIS_ID:AN005374 PROJECT_ID:PR002032 VERSION 1 CREATED_ON June 21, 2024, 1:26 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 Optic Nerve ST:STUDY_SUMMARY We profile the metabolite changes in the optic nerve of a transgenic line of 1 ST:STUDY_SUMMARY year old Xenopus laevis Tg(islet2b:gfp) frogs that either had a monocular ST:STUDY_SUMMARY surgery of either a left optic crush injury (crush) or sham surgery (sham). The ST:STUDY_SUMMARY matching 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 SU:GENDER Not applicable #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 - CTL_12dpi_ON1_POS1 Sample source:Optic Nerve | Treatment:Control RAW_FILE_NAME=CTL_12dpi_ON1_POS1.raw SUBJECT_SAMPLE_FACTORS - CTL_12dpi_ON1_POS2 Sample source:Optic Nerve | Treatment:Control RAW_FILE_NAME=CTL_12dpi_ON1_POS2.raw SUBJECT_SAMPLE_FACTORS - CTL_12dpi_ON1_POS3 Sample source:Optic Nerve | Treatment:Control RAW_FILE_NAME=CTL_12dpi_ON1_POS3.raw SUBJECT_SAMPLE_FACTORS - CTL_12dpi_ON1_NEG1 Sample source:Optic Nerve | Treatment:Control RAW_FILE_NAME=CTL_12dpi_ON1_NEG1.raw SUBJECT_SAMPLE_FACTORS - CTL_12dpi_ON1_NEG2 Sample source:Optic Nerve | Treatment:Control RAW_FILE_NAME=CTL_12dpi_ON1_NEG2.raw SUBJECT_SAMPLE_FACTORS - CTL_12dpi_ON1_NEG3 Sample source:Optic Nerve | Treatment:Control RAW_FILE_NAME=CTL_12dpi_ON1_NEG3.raw SUBJECT_SAMPLE_FACTORS - CTL_12dpi_ON2_POS1 Sample source:Optic Nerve | Treatment:Control RAW_FILE_NAME=CTL_12dpi_ON2_POS1.raw SUBJECT_SAMPLE_FACTORS - CTL_12dpi_ON2_POS2 Sample source:Optic Nerve | Treatment:Control RAW_FILE_NAME=CTL_12dpi_ON2_POS2.raw SUBJECT_SAMPLE_FACTORS - CTL_12dpi_ON2_POS3 Sample source:Optic Nerve | Treatment:Control RAW_FILE_NAME=CTL_12dpi_ON2_POS3.raw SUBJECT_SAMPLE_FACTORS - CTL_12dpi_ON2_NEG1 Sample source:Optic Nerve | Treatment:Control RAW_FILE_NAME=CTL_12dpi_ON2_NEG1.raw SUBJECT_SAMPLE_FACTORS - CTL_12dpi_ON2_NEG2 Sample source:Optic Nerve | Treatment:Control RAW_FILE_NAME=CTL_12dpi_ON2_NEG2.raw SUBJECT_SAMPLE_FACTORS - CTL_12dpi_ON2_NEG3 Sample source:Optic Nerve | Treatment:Control RAW_FILE_NAME=CTL_12dpi_ON2_NEG3.raw SUBJECT_SAMPLE_FACTORS - CTL_27dpi_ON1_POS1 Sample source:Optic Nerve | Treatment:Control RAW_FILE_NAME=CTL_27dpi_ON1_POS1.raw SUBJECT_SAMPLE_FACTORS - CTL_27dpi_ON1_POS2 Sample source:Optic Nerve | Treatment:Control RAW_FILE_NAME=CTL_27dpi_ON1_POS2.raw SUBJECT_SAMPLE_FACTORS - CTL_27dpi_ON1_POS3 Sample source:Optic Nerve | Treatment:Control RAW_FILE_NAME=CTL_27dpi_ON1_POS3.raw SUBJECT_SAMPLE_FACTORS - CTL_27dpi_ON1_NEG1 Sample source:Optic Nerve | Treatment:Control RAW_FILE_NAME=CTL_27dpi_ON1_NEG1.raw SUBJECT_SAMPLE_FACTORS - CTL_27dpi_ON1_NEG2 Sample source:Optic Nerve | Treatment:Control RAW_FILE_NAME=CTL_27dpi_ON1_NEG2.raw SUBJECT_SAMPLE_FACTORS - CTL_27dpi_ON1_NEG3 Sample source:Optic Nerve | Treatment:Control RAW_FILE_NAME=CTL_27dpi_ON1_NEG3.raw SUBJECT_SAMPLE_FACTORS - CTL_27dpi_ON2_POS1 Sample source:Optic Nerve | Treatment:Control RAW_FILE_NAME=CTL_27dpi_ON2_POS1.raw SUBJECT_SAMPLE_FACTORS - CTL_27dpi_ON2_POS2 Sample source:Optic Nerve | Treatment:Control RAW_FILE_NAME=CTL_27dpi_ON2_POS2.raw SUBJECT_SAMPLE_FACTORS - CTL_27dpi_ON2_POS3 Sample source:Optic Nerve | Treatment:Control RAW_FILE_NAME=CTL_27dpi_ON2_POS3.raw SUBJECT_SAMPLE_FACTORS - CTL_27dpi_ON2_NEG1 Sample source:Optic Nerve | Treatment:Control RAW_FILE_NAME=CTL_27dpi_ON2_NEG1.raw SUBJECT_SAMPLE_FACTORS - CTL_27dpi_ON2_NEG2 Sample source:Optic Nerve | Treatment:Control RAW_FILE_NAME=CTL_27dpi_ON2_NEG2.raw SUBJECT_SAMPLE_FACTORS - CTL_27dpi_ON2_NEG3 Sample source:Optic Nerve | Treatment:Control RAW_FILE_NAME=CTL_27dpi_ON2_NEG3.raw SUBJECT_SAMPLE_FACTORS - CTL_27dpi_ON3_POS1 Sample source:Optic Nerve | Treatment:Control RAW_FILE_NAME=CTL_27dpi_ON3_POS1.raw SUBJECT_SAMPLE_FACTORS - CTL_27dpi_ON3_POS2 Sample source:Optic Nerve | Treatment:Control RAW_FILE_NAME=CTL_27dpi_ON3_POS2.raw SUBJECT_SAMPLE_FACTORS - CTL_27dpi_ON3_POS3 Sample source:Optic Nerve | Treatment:Control RAW_FILE_NAME=CTL_27dpi_ON3_POS3.raw SUBJECT_SAMPLE_FACTORS - CTL_27dpi_ON3_NEG1 Sample source:Optic Nerve | Treatment:Control RAW_FILE_NAME=CTL_27dpi_ON3_NEG1.raw SUBJECT_SAMPLE_FACTORS - CTL_27dpi_ON3_NEG2 Sample source:Optic Nerve | Treatment:Control RAW_FILE_NAME=CTL_27dpi_ON3_NEG2.raw SUBJECT_SAMPLE_FACTORS - CTL_27dpi_ON3_NEG3 Sample source:Optic Nerve | Treatment:Control RAW_FILE_NAME=CTL_27dpi_ON3_NEG3.raw SUBJECT_SAMPLE_FACTORS - CTL_27dpi_ON4_POS1 Sample source:Optic Nerve | Treatment:Control RAW_FILE_NAME=CTL_27dpi_ON4_POS1.raw SUBJECT_SAMPLE_FACTORS - CTL_27dpi_ON4_POS2 Sample source:Optic Nerve | Treatment:Control RAW_FILE_NAME=CTL_27dpi_ON4_POS2.raw SUBJECT_SAMPLE_FACTORS - CTL_27dpi_ON4_POS3 Sample source:Optic Nerve | Treatment:Control RAW_FILE_NAME=CTL_27dpi_ON4_POS3.raw SUBJECT_SAMPLE_FACTORS - CTL_27dpi_ON4_NEG1 Sample source:Optic Nerve | Treatment:Control RAW_FILE_NAME=CTL_27dpi_ON4_NEG1.raw SUBJECT_SAMPLE_FACTORS - CTL_27dpi_ON4_NEG2 Sample source:Optic Nerve | Treatment:Control RAW_FILE_NAME=CTL_27dpi_ON4_NEG2.raw SUBJECT_SAMPLE_FACTORS - CTL_27dpi_ON4_NEG3 Sample source:Optic Nerve | Treatment:Control RAW_FILE_NAME=CTL_27dpi_ON4_NEG3.raw SUBJECT_SAMPLE_FACTORS - CTL_27dpi_ON5_POS1 Sample source:Optic Nerve | Treatment:Control RAW_FILE_NAME=CTL_27dpi_ON5_POS1.raw SUBJECT_SAMPLE_FACTORS - CTL_27dpi_ON5_POS2 Sample source:Optic Nerve | Treatment:Control RAW_FILE_NAME=CTL_27dpi_ON5_POS2.raw SUBJECT_SAMPLE_FACTORS - CTL_27dpi_ON5_POS3 Sample source:Optic Nerve | Treatment:Control RAW_FILE_NAME=CTL_27dpi_ON5_POS3.raw SUBJECT_SAMPLE_FACTORS - CTL_27dpi_ON5_NEG1 Sample source:Optic Nerve | Treatment:Control RAW_FILE_NAME=CTL_27dpi_ON5_NEG1.raw SUBJECT_SAMPLE_FACTORS - CTL_27dpi_ON5_NEG2 Sample source:Optic Nerve | Treatment:Control RAW_FILE_NAME=CTL_27dpi_ON5_NEG2.raw SUBJECT_SAMPLE_FACTORS - CTL_27dpi_ON5_NEG3 Sample source:Optic Nerve | Treatment:Control RAW_FILE_NAME=CTL_27dpi_ON5_NEG3.raw SUBJECT_SAMPLE_FACTORS - CX_12dpi_ON1_POS1 Sample source:Optic Nerve | Treatment:Crush RAW_FILE_NAME=CX_12dpi_ON1_POS1.raw SUBJECT_SAMPLE_FACTORS - CX_12dpi_ON1_POS2 Sample source:Optic Nerve | Treatment:Crush RAW_FILE_NAME=CX_12dpi_ON1_POS2.raw SUBJECT_SAMPLE_FACTORS - CX_12dpi_ON1_POS3 Sample source:Optic Nerve | Treatment:Crush RAW_FILE_NAME=CX_12dpi_ON1_POS3.raw SUBJECT_SAMPLE_FACTORS - CX_12dpi_ON1_NEG1 Sample source:Optic Nerve | Treatment:Crush RAW_FILE_NAME=CX_12dpi_ON1_NEG1.raw SUBJECT_SAMPLE_FACTORS - CX_12dpi_ON1_NEG2 Sample source:Optic Nerve | Treatment:Crush RAW_FILE_NAME=CX_12dpi_ON1_NEG2.raw SUBJECT_SAMPLE_FACTORS - CX_12dpi_ON1_NEG3 Sample source:Optic Nerve | Treatment:Crush RAW_FILE_NAME=CX_12dpi_ON1_NEG3.raw SUBJECT_SAMPLE_FACTORS - CX_12dpi_ON2_POS1 Sample source:Optic Nerve | Treatment:Crush RAW_FILE_NAME=CX_12dpi_ON2_POS1.raw SUBJECT_SAMPLE_FACTORS - CX_12dpi_ON2_POS2 Sample source:Optic Nerve | Treatment:Crush RAW_FILE_NAME=CX_12dpi_ON2_POS2.raw SUBJECT_SAMPLE_FACTORS - CX_12dpi_ON2_POS3 Sample source:Optic Nerve | Treatment:Crush RAW_FILE_NAME=CX_12dpi_ON2_POS3.raw SUBJECT_SAMPLE_FACTORS - CX_12dpi_ON2_NEG1 Sample source:Optic Nerve | Treatment:Crush RAW_FILE_NAME=CX_12dpi_ON2_NEG1.raw SUBJECT_SAMPLE_FACTORS - CX_12dpi_ON2_NEG2 Sample source:Optic Nerve | Treatment:Crush RAW_FILE_NAME=CX_12dpi_ON2_NEG2.raw SUBJECT_SAMPLE_FACTORS - CX_12dpi_ON2_NEG3 Sample source:Optic Nerve | Treatment:Crush RAW_FILE_NAME=CX_12dpi_ON2_NEG3.raw SUBJECT_SAMPLE_FACTORS - CX_12dpi_ON3_POS1 Sample source:Optic Nerve | Treatment:Crush RAW_FILE_NAME=CX_12dpi_ON3_POS1.raw SUBJECT_SAMPLE_FACTORS - CX_12dpi_ON3_POS2 Sample source:Optic Nerve | Treatment:Crush RAW_FILE_NAME=CX_12dpi_ON3_POS2.raw SUBJECT_SAMPLE_FACTORS - CX_12dpi_ON3_POS3 Sample source:Optic Nerve | Treatment:Crush RAW_FILE_NAME=CX_12dpi_ON3_POS3.raw SUBJECT_SAMPLE_FACTORS - CX_12dpi_ON3_NEG1 Sample source:Optic Nerve | Treatment:Crush RAW_FILE_NAME=CX_12dpi_ON3_NEG1.raw SUBJECT_SAMPLE_FACTORS - CX_12dpi_ON3_NEG2 Sample source:Optic Nerve | Treatment:Crush RAW_FILE_NAME=CX_12dpi_ON3_NEG2.raw SUBJECT_SAMPLE_FACTORS - CX_12dpi_ON3_NEG3 Sample source:Optic Nerve | Treatment:Crush RAW_FILE_NAME=CX_12dpi_ON3_NEG3.raw SUBJECT_SAMPLE_FACTORS - CX_12dpi_ON4_POS1 Sample source:Optic Nerve | Treatment:Crush RAW_FILE_NAME=CX_12dpi_ON4_POS1.raw SUBJECT_SAMPLE_FACTORS - CX_12dpi_ON4_POS2 Sample source:Optic Nerve | Treatment:Crush RAW_FILE_NAME=CX_12dpi_ON4_POS2.raw SUBJECT_SAMPLE_FACTORS - CX_12dpi_ON4_POS3 Sample source:Optic Nerve | Treatment:Crush RAW_FILE_NAME=CX_12dpi_ON4_POS3.raw SUBJECT_SAMPLE_FACTORS - CX_12dpi_ON4_NEG1 Sample source:Optic Nerve | Treatment:Crush RAW_FILE_NAME=CX_12dpi_ON4_NEG1.raw SUBJECT_SAMPLE_FACTORS - CX_12dpi_ON4_NEG2 Sample source:Optic Nerve | Treatment:Crush RAW_FILE_NAME=CX_12dpi_ON4_NEG2.raw SUBJECT_SAMPLE_FACTORS - CX_12dpi_ON4_NEG3 Sample source:Optic Nerve | Treatment:Crush RAW_FILE_NAME=CX_12dpi_ON4_NEG3.raw SUBJECT_SAMPLE_FACTORS - CX_27dpi_ON1_POS1 Sample source:Optic Nerve | Treatment:Crush RAW_FILE_NAME=CX_27dpi_ON1_POS1.raw SUBJECT_SAMPLE_FACTORS - CX_27dpi_ON1_POS2 Sample source:Optic Nerve | Treatment:Crush RAW_FILE_NAME=CX_27dpi_ON1_POS2.raw SUBJECT_SAMPLE_FACTORS - CX_27dpi_ON1_POS3 Sample source:Optic Nerve | Treatment:Crush RAW_FILE_NAME=CX_27dpi_ON1_POS3.raw SUBJECT_SAMPLE_FACTORS - CX_27dpi_ON1_NEG1 Sample source:Optic Nerve | Treatment:Crush RAW_FILE_NAME=CX_27dpi_ON1_NEG1.raw SUBJECT_SAMPLE_FACTORS - CX_27dpi_ON1_NEG2 Sample source:Optic Nerve | Treatment:Crush RAW_FILE_NAME=CX_27dpi_ON1_NEG2.raw SUBJECT_SAMPLE_FACTORS - CX_27dpi_ON1_NEG3 Sample source:Optic Nerve | Treatment:Crush RAW_FILE_NAME=CX_27dpi_ON1_NEG3.raw SUBJECT_SAMPLE_FACTORS - CX_27dpi_ON2_POS1 Sample source:Optic Nerve | Treatment:Crush RAW_FILE_NAME=CX_27dpi_ON2_POS1.raw SUBJECT_SAMPLE_FACTORS - CX_27dpi_ON2_POS2 Sample source:Optic Nerve | Treatment:Crush RAW_FILE_NAME=CX_27dpi_ON2_POS2.raw SUBJECT_SAMPLE_FACTORS - CX_27dpi_ON2_POS3 Sample source:Optic Nerve | Treatment:Crush RAW_FILE_NAME=CX_27dpi_ON2_POS3.raw SUBJECT_SAMPLE_FACTORS - CX_27dpi_ON2_NEG1 Sample source:Optic Nerve | Treatment:Crush RAW_FILE_NAME=CX_27dpi_ON2_NEG1.raw SUBJECT_SAMPLE_FACTORS - CX_27dpi_ON2_NEG2 Sample source:Optic Nerve | Treatment:Crush RAW_FILE_NAME=CX_27dpi_ON2_NEG2.raw SUBJECT_SAMPLE_FACTORS - CX_27dpi_ON2_NEG3 Sample source:Optic Nerve | Treatment:Crush RAW_FILE_NAME=CX_27dpi_ON2_NEG3.raw SUBJECT_SAMPLE_FACTORS - CX_27dpi_ON3_POS1 Sample source:Optic Nerve | Treatment:Crush RAW_FILE_NAME=CX_27dpi_ON3_POS1.raw SUBJECT_SAMPLE_FACTORS - CX_27dpi_ON3_POS2 Sample source:Optic Nerve | Treatment:Crush RAW_FILE_NAME=CX_27dpi_ON3_POS2.raw SUBJECT_SAMPLE_FACTORS - CX_27dpi_ON3_POS3 Sample source:Optic Nerve | Treatment:Crush RAW_FILE_NAME=CX_27dpi_ON3_POS3.raw SUBJECT_SAMPLE_FACTORS - CX_27dpi_ON3_NEG1 Sample source:Optic Nerve | Treatment:Crush RAW_FILE_NAME=CX_27dpi_ON3_NEG1.raw SUBJECT_SAMPLE_FACTORS - CX_27dpi_ON3_NEG2 Sample source:Optic Nerve | Treatment:Crush RAW_FILE_NAME=CX_27dpi_ON3_NEG2.raw SUBJECT_SAMPLE_FACTORS - CX_27dpi_ON3_NEG3 Sample source:Optic Nerve | Treatment:Crush RAW_FILE_NAME=CX_27dpi_ON3_NEG3.raw SUBJECT_SAMPLE_FACTORS - CX_27dpi_ON4_POS1 Sample source:Optic Nerve | Treatment:Crush RAW_FILE_NAME=CX_27dpi_ON4_POS1.raw SUBJECT_SAMPLE_FACTORS - CX_27dpi_ON4_POS2 Sample source:Optic Nerve | Treatment:Crush RAW_FILE_NAME=CX_27dpi_ON4_POS2.raw SUBJECT_SAMPLE_FACTORS - CX_27dpi_ON4_POS3 Sample source:Optic Nerve | Treatment:Crush RAW_FILE_NAME=CX_27dpi_ON4_POS3.raw SUBJECT_SAMPLE_FACTORS - CX_27dpi_ON4_NEG1 Sample source:Optic Nerve | Treatment:Crush RAW_FILE_NAME=CX_27dpi_ON4_NEG1.raw SUBJECT_SAMPLE_FACTORS - CX_27dpi_ON4_NEG2 Sample source:Optic Nerve | Treatment:Crush RAW_FILE_NAME=CX_27dpi_ON4_NEG2.raw SUBJECT_SAMPLE_FACTORS - CX_27dpi_ON4_NEG3 Sample source:Optic Nerve | Treatment:Crush RAW_FILE_NAME=CX_27dpi_ON4_NEG3.raw SUBJECT_SAMPLE_FACTORS - CX_27dpi_ON5_POS1 Sample source:Optic Nerve | Treatment:Crush RAW_FILE_NAME=CX_27dpi_ON5_POS1.raw SUBJECT_SAMPLE_FACTORS - CX_27dpi_ON5_POS2 Sample source:Optic Nerve | Treatment:Crush RAW_FILE_NAME=CX_27dpi_ON5_POS2.raw SUBJECT_SAMPLE_FACTORS - CX_27dpi_ON5_POS3 Sample source:Optic Nerve | Treatment:Crush RAW_FILE_NAME=CX_27dpi_ON5_POS3.raw SUBJECT_SAMPLE_FACTORS - CX_27dpi_ON5_NEG1 Sample source:Optic Nerve | Treatment:Crush RAW_FILE_NAME=CX_27dpi_ON5_NEG1.raw SUBJECT_SAMPLE_FACTORS - CX_27dpi_ON5_NEG2 Sample source:Optic Nerve | Treatment:Crush RAW_FILE_NAME=CX_27dpi_ON5_NEG2.raw SUBJECT_SAMPLE_FACTORS - CX_27dpi_ON5_NEG3 Sample source:Optic Nerve | Treatment:Crush RAW_FILE_NAME=CX_27dpi_ON5_NEG3.raw SUBJECT_SAMPLE_FACTORS - CX_27dpi_ON6_POS1 Sample source:Optic Nerve | Treatment:Crush RAW_FILE_NAME=CX_27dpi_ON6_POS1.raw SUBJECT_SAMPLE_FACTORS - CX_27dpi_ON6_POS2 Sample source:Optic Nerve | Treatment:Crush RAW_FILE_NAME=CX_27dpi_ON6_POS2.raw SUBJECT_SAMPLE_FACTORS - CX_27dpi_ON6_POS3 Sample source:Optic Nerve | Treatment:Crush RAW_FILE_NAME=CX_27dpi_ON6_POS3.raw SUBJECT_SAMPLE_FACTORS - CX_27dpi_ON6_NEG1 Sample source:Optic Nerve | Treatment:Crush RAW_FILE_NAME=CX_27dpi_ON6_NEG1.raw SUBJECT_SAMPLE_FACTORS - CX_27dpi_ON6_NEG2 Sample source:Optic Nerve | Treatment:Crush RAW_FILE_NAME=CX_27dpi_ON6_NEG2.raw SUBJECT_SAMPLE_FACTORS - CX_27dpi_ON6_NEG3 Sample source:Optic Nerve | Treatment:Crush RAW_FILE_NAME=CX_27dpi_ON6_NEG3.raw SUBJECT_SAMPLE_FACTORS - Left_ON_SHAM1_POS1 Sample source:Optic Nerve | Treatment:Sham RAW_FILE_NAME=Left_ON_SHAM1_POS1.raw SUBJECT_SAMPLE_FACTORS - Left_ON_SHAM1_POS2 Sample source:Optic Nerve | Treatment:Sham RAW_FILE_NAME=Left_ON_SHAM1_POS2.raw SUBJECT_SAMPLE_FACTORS - Left_ON_SHAM1_POS3 Sample source:Optic Nerve | Treatment:Sham RAW_FILE_NAME=Left_ON_SHAM1_POS3.raw SUBJECT_SAMPLE_FACTORS - Left_ON_SHAM1_NEG1 Sample source:Optic Nerve | Treatment:Sham RAW_FILE_NAME=Left_ON_SHAM1_NEG1.raw SUBJECT_SAMPLE_FACTORS - Left_ON_SHAM1_NEG2 Sample source:Optic Nerve | Treatment:Sham RAW_FILE_NAME=Left_ON_SHAM1_NEG2.raw SUBJECT_SAMPLE_FACTORS - Left_ON_SHAM1_NEG3 Sample source:Optic Nerve | Treatment:Sham RAW_FILE_NAME=Left_ON_SHAM1_NEG3.raw SUBJECT_SAMPLE_FACTORS - Left_ON_SHAM2_POS1 Sample source:Optic Nerve | Treatment:Sham RAW_FILE_NAME=Left_ON_SHAM2_POS1.raw SUBJECT_SAMPLE_FACTORS - Left_ON_SHAM2_POS2 Sample source:Optic Nerve | Treatment:Sham RAW_FILE_NAME=Left_ON_SHAM2_POS2.raw SUBJECT_SAMPLE_FACTORS - Left_ON_SHAM2_POS3 Sample source:Optic Nerve | Treatment:Sham RAW_FILE_NAME=Left_ON_SHAM2_POS3.raw SUBJECT_SAMPLE_FACTORS - Left_ON_SHAM2_NEG1 Sample source:Optic Nerve | Treatment:Sham RAW_FILE_NAME=Left_ON_SHAM2_NEG1.raw SUBJECT_SAMPLE_FACTORS - Left_ON_SHAM2_NEG2 Sample source:Optic Nerve | Treatment:Sham RAW_FILE_NAME=Left_ON_SHAM2_NEG2.raw SUBJECT_SAMPLE_FACTORS - Left_ON_SHAM2_NEG3 Sample source:Optic Nerve | Treatment:Sham RAW_FILE_NAME=Left_ON_SHAM2_NEG3.raw SUBJECT_SAMPLE_FACTORS - Left_ON_SHAM3_POS1 Sample source:Optic Nerve | Treatment:Sham RAW_FILE_NAME=Left_ON_SHAM3_POS1.raw SUBJECT_SAMPLE_FACTORS - Left_ON_SHAM3_POS2 Sample source:Optic Nerve | Treatment:Sham RAW_FILE_NAME=Left_ON_SHAM3_POS2.raw SUBJECT_SAMPLE_FACTORS - Left_ON_SHAM3_POS3 Sample source:Optic Nerve | Treatment:Sham RAW_FILE_NAME=Left_ON_SHAM3_POS3.raw SUBJECT_SAMPLE_FACTORS - Left_ON_SHAM3_NEG1 Sample source:Optic Nerve | Treatment:Sham RAW_FILE_NAME=Left_ON_SHAM3_NEG1.raw SUBJECT_SAMPLE_FACTORS - Left_ON_SHAM3_NEG2 Sample source:Optic Nerve | Treatment:Sham RAW_FILE_NAME=Left_ON_SHAM3_NEG2.raw SUBJECT_SAMPLE_FACTORS - Left_ON_SHAM3_NEG3 Sample source:Optic Nerve | Treatment:Sham RAW_FILE_NAME=Left_ON_SHAM3_NEG3.raw SUBJECT_SAMPLE_FACTORS - Left_ON_SHAM4_POS1 Sample source:Optic Nerve | Treatment:Sham RAW_FILE_NAME=Left_ON_SHAM4_POS1.raw SUBJECT_SAMPLE_FACTORS - Left_ON_SHAM4_POS2 Sample source:Optic Nerve | Treatment:Sham RAW_FILE_NAME=Left_ON_SHAM4_POS2.raw SUBJECT_SAMPLE_FACTORS - Left_ON_SHAM4_POS3 Sample source:Optic Nerve | Treatment:Sham RAW_FILE_NAME=Left_ON_SHAM4_POS3.raw SUBJECT_SAMPLE_FACTORS - Left_ON_SHAM4_NEG1 Sample source:Optic Nerve | Treatment:Sham RAW_FILE_NAME=Left_ON_SHAM4_NEG1.raw SUBJECT_SAMPLE_FACTORS - Left_ON_SHAM4_NEG2 Sample source:Optic Nerve | Treatment:Sham RAW_FILE_NAME=Left_ON_SHAM4_NEG2.raw SUBJECT_SAMPLE_FACTORS - Left_ON_SHAM4_NEG3 Sample source:Optic Nerve | Treatment:Sham RAW_FILE_NAME=Left_ON_SHAM4_NEG3.raw SUBJECT_SAMPLE_FACTORS - Pooled_QC1_MS1_ON_POS1 Sample source:Optic Nerve | Treatment:QC RAW_FILE_NAME=Pooled_QC1_MS1_ON_POS1.raw SUBJECT_SAMPLE_FACTORS - Pooled_QC1_MS1_ON_POS2 Sample source:Optic Nerve | Treatment:QC RAW_FILE_NAME=Pooled_QC1_MS1_ON_POS2.raw SUBJECT_SAMPLE_FACTORS - Pooled_QC1_MS1_ON_NEG1 Sample source:Optic Nerve | Treatment:QC RAW_FILE_NAME=Pooled_QC1_MS1_ON_NEG1.raw SUBJECT_SAMPLE_FACTORS - Pooled_QC1_MS1_ON_NEG2 Sample source:Optic Nerve | Treatment:QC RAW_FILE_NAME=Pooled_QC1_MS1_ON_NEG2.raw SUBJECT_SAMPLE_FACTORS - Pooled_QC2_MS1_ON_POS1 Sample source:Optic Nerve | Treatment:QC RAW_FILE_NAME=Pooled_QC2_MS1_ON_POS1.raw SUBJECT_SAMPLE_FACTORS - Pooled_QC2_MS1_ON_POS2 Sample source:Optic Nerve | Treatment:QC RAW_FILE_NAME=Pooled_QC2_MS1_ON_POS2.raw SUBJECT_SAMPLE_FACTORS - Pooled_QC2_MS1_ON_NEG1 Sample source:Optic Nerve | Treatment:QC RAW_FILE_NAME=Pooled_QC2_MS1_ON_NEG1.raw SUBJECT_SAMPLE_FACTORS - Pooled_QC2_MS1_ON_NEG2 Sample source:Optic Nerve | Treatment:QC RAW_FILE_NAME=Pooled_QC2_MS1_ON_NEG2.raw SUBJECT_SAMPLE_FACTORS - Right_ON_SHAM1_POS1 Sample source:Optic Nerve | Treatment:Sham RAW_FILE_NAME=Right_ON_SHAM1_POS1.raw SUBJECT_SAMPLE_FACTORS - Right_ON_SHAM1_POS2 Sample source:Optic Nerve | Treatment:Sham RAW_FILE_NAME=Right_ON_SHAM1_POS2.raw SUBJECT_SAMPLE_FACTORS - Right_ON_SHAM1_POS3 Sample source:Optic Nerve | Treatment:Sham RAW_FILE_NAME=Right_ON_SHAM1_POS3.raw SUBJECT_SAMPLE_FACTORS - Right_ON_SHAM1_NEG1 Sample source:Optic Nerve | Treatment:Sham RAW_FILE_NAME=Right_ON_SHAM1_NEG1.raw SUBJECT_SAMPLE_FACTORS - Right_ON_SHAM1_NEG2 Sample source:Optic Nerve | Treatment:Sham RAW_FILE_NAME=Right_ON_SHAM1_NEG2.raw SUBJECT_SAMPLE_FACTORS - Right_ON_SHAM1_NEG3 Sample source:Optic Nerve | Treatment:Sham RAW_FILE_NAME=Right_ON_SHAM1_NEG3.raw SUBJECT_SAMPLE_FACTORS - Right_ON_SHAM2_POS1 Sample source:Optic Nerve | Treatment:Sham RAW_FILE_NAME=Right_ON_SHAM2_POS1.raw SUBJECT_SAMPLE_FACTORS - Right_ON_SHAM2_POS2 Sample source:Optic Nerve | Treatment:Sham RAW_FILE_NAME=Right_ON_SHAM2_POS2.raw SUBJECT_SAMPLE_FACTORS - Right_ON_SHAM2_POS3 Sample source:Optic Nerve | Treatment:Sham RAW_FILE_NAME=Right_ON_SHAM2_POS3.raw SUBJECT_SAMPLE_FACTORS - Right_ON_SHAM2_NEG1 Sample source:Optic Nerve | Treatment:Sham RAW_FILE_NAME=Right_ON_SHAM2_NEG1.raw SUBJECT_SAMPLE_FACTORS - Right_ON_SHAM2_NEG2 Sample source:Optic Nerve | Treatment:Sham RAW_FILE_NAME=Right_ON_SHAM2_NEG2.raw SUBJECT_SAMPLE_FACTORS - Right_ON_SHAM2_NEG3 Sample source:Optic Nerve | Treatment:Sham RAW_FILE_NAME=Right_ON_SHAM2_NEG3.raw SUBJECT_SAMPLE_FACTORS - Right_ON_SHAM3_POS1 Sample source:Optic Nerve | Treatment:Sham RAW_FILE_NAME=Right_ON_SHAM3_POS1.raw SUBJECT_SAMPLE_FACTORS - Right_ON_SHAM3_POS2 Sample source:Optic Nerve | Treatment:Sham RAW_FILE_NAME=Right_ON_SHAM3_POS2.raw SUBJECT_SAMPLE_FACTORS - Right_ON_SHAM3_POS3 Sample source:Optic Nerve | Treatment:Sham RAW_FILE_NAME=Right_ON_SHAM3_POS3.raw SUBJECT_SAMPLE_FACTORS - Right_ON_SHAM3_NEG1 Sample source:Optic Nerve | Treatment:Sham RAW_FILE_NAME=Right_ON_SHAM3_NEG1.raw SUBJECT_SAMPLE_FACTORS - Right_ON_SHAM3_NEG2 Sample source:Optic Nerve | Treatment:Sham RAW_FILE_NAME=Right_ON_SHAM3_NEG2.raw SUBJECT_SAMPLE_FACTORS - Right_ON_SHAM3_NEG3 Sample source:Optic Nerve | Treatment:Sham RAW_FILE_NAME=Right_ON_SHAM3_NEG3.raw SUBJECT_SAMPLE_FACTORS - Right_ON_SHAM4_POS1 Sample source:Optic Nerve | Treatment:Sham RAW_FILE_NAME=Right_ON_SHAM4_POS1.raw SUBJECT_SAMPLE_FACTORS - Right_ON_SHAM4_POS2 Sample source:Optic Nerve | Treatment:Sham RAW_FILE_NAME=Right_ON_SHAM4_POS2.raw SUBJECT_SAMPLE_FACTORS - Right_ON_SHAM4_POS3 Sample source:Optic Nerve | Treatment:Sham RAW_FILE_NAME=Right_ON_SHAM4_POS3.raw SUBJECT_SAMPLE_FACTORS - Right_ON_SHAM4_NEG1 Sample source:Optic Nerve | Treatment:Sham RAW_FILE_NAME=Right_ON_SHAM4_NEG1.raw SUBJECT_SAMPLE_FACTORS - Right_ON_SHAM4_NEG2 Sample source:Optic Nerve | Treatment:Sham RAW_FILE_NAME=Right_ON_SHAM4_NEG2.raw SUBJECT_SAMPLE_FACTORS - Right_ON_SHAM4_NEG3 Sample source:Optic Nerve | Treatment:Sham RAW_FILE_NAME=Right_ON_SHAM4_NEG3.raw 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 #COLLECTION CO:COLLECTION_SUMMARY The tissue was removed via dissection from the optic nerve head to the optic CO:COLLECTION_SUMMARY chiasm. The optic nerves were collected at 12- and 27-days post crush and CO:COLLECTION_SUMMARY separated into biological samples. Due to the small tissue and metabolomics CO:COLLECTION_SUMMARY resolution constraints, tissues were pooled to generate higher signal CO:COLLECTION_SUMMARY intensities. A total of 3 optic nerves 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 Optic nerves remained on dry ice to prevent metabolite degradation while the SP:SAMPLEPREP_SUMMARY metabolite extraction was conducted. Tissues were transferred to 0.5mL Soft SP:SAMPLEPREP_SUMMARY Tissue Lysing Kit Precellys tubes containing beads. Then, 84 µL of chilled 1:1 SP:SAMPLEPREP_SUMMARY MeOH/H2O were added to Precellys tube. Pre-extraction internal standards were SP:SAMPLEPREP_SUMMARY added to the tubes: 5µl of 1mg/ml Caffeine 13C6, 5µl of 1mg/ml D-Glucose 13C6, SP:SAMPLEPREP_SUMMARY 5µl of 1mg/ml Oleic Acid 13C5, and 1µl of 5mg/mL Isoleucine 13C6 to each SP:SAMPLEPREP_SUMMARY sample. Tissues were homogenized using Precellys 24 Touch. Cycle parameters: 2 SP:SAMPLEPREP_SUMMARY cycles: 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_ON1_NEG1 CTL_12dpi_ON1_NEG2 CTL_12dpi_ON1_NEG3 CTL_12dpi_ON2_NEG1 CTL_12dpi_ON2_NEG2 CTL_12dpi_ON2_NEG3 CTL_27dpi_ON1_NEG1 CTL_27dpi_ON1_NEG2 CTL_27dpi_ON1_NEG3 CTL_27dpi_ON2_NEG1 CTL_27dpi_ON2_NEG2 CTL_27dpi_ON2_NEG3 CTL_27dpi_ON3_NEG1 CTL_27dpi_ON3_NEG2 CTL_27dpi_ON3_NEG3 CTL_27dpi_ON4_NEG1 CTL_27dpi_ON4_NEG2 CTL_27dpi_ON4_NEG3 CTL_27dpi_ON5_NEG1 CTL_27dpi_ON5_NEG2 CTL_27dpi_ON5_NEG3 CX_12dpi_ON1_NEG1 CX_12dpi_ON1_NEG2 CX_12dpi_ON1_NEG3 CX_12dpi_ON2_NEG1 CX_12dpi_ON2_NEG2 CX_12dpi_ON2_NEG3 CX_12dpi_ON3_NEG1 CX_12dpi_ON3_NEG2 CX_12dpi_ON3_NEG3 CX_12dpi_ON4_NEG1 CX_12dpi_ON4_NEG2 CX_12dpi_ON4_NEG3 CX_27dpi_ON1_NEG1 CX_27dpi_ON1_NEG2 CX_27dpi_ON1_NEG3 CX_27dpi_ON2_NEG1 CX_27dpi_ON2_NEG2 CX_27dpi_ON2_NEG3 CX_27dpi_ON3_NEG1 CX_27dpi_ON3_NEG2 CX_27dpi_ON3_NEG3 CX_27dpi_ON4_NEG1 CX_27dpi_ON4_NEG2 CX_27dpi_ON4_NEG3 CX_27dpi_ON5_NEG1 CX_27dpi_ON5_NEG2 CX_27dpi_ON5_NEG3 CX_27dpi_ON6_NEG1 CX_27dpi_ON6_NEG2 CX_27dpi_ON6_NEG3 Left_ON_SHAM1_NEG1 Left_ON_SHAM1_NEG2 Left_ON_SHAM1_NEG3 Left_ON_SHAM2_NEG1 Left_ON_SHAM2_NEG2 Left_ON_SHAM2_NEG3 Left_ON_SHAM3_NEG1 Left_ON_SHAM3_NEG2 Left_ON_SHAM3_NEG3 Left_ON_SHAM4_NEG1 Left_ON_SHAM4_NEG2 Left_ON_SHAM4_NEG3 Pooled_QC1_MS1_ON_NEG1 Pooled_QC1_MS1_ON_NEG2 Pooled_QC2_MS1_ON_NEG1 Pooled_QC2_MS1_ON_NEG2 Right_ON_SHAM1_NEG1 Right_ON_SHAM1_NEG2 Right_ON_SHAM1_NEG3 Right_ON_SHAM2_NEG1 Right_ON_SHAM2_NEG2 Right_ON_SHAM2_NEG3 Right_ON_SHAM3_NEG1 Right_ON_SHAM3_NEG2 Right_ON_SHAM3_NEG3 Right_ON_SHAM4_NEG1 Right_ON_SHAM4_NEG2 Right_ON_SHAM4_NEG3 Blank_NEG1 Blank_NEG2 Blank_NEG3 Factors Sample source:Optic Nerve | Treatment:Control Sample source:Optic Nerve | Treatment:Control Sample source:Optic Nerve | Treatment:Control Sample source:Optic Nerve | Treatment:Control Sample source:Optic Nerve | Treatment:Control Sample source:Optic Nerve | Treatment:Control Sample source:Optic Nerve | Treatment:Control Sample source:Optic Nerve | Treatment:Control Sample source:Optic Nerve | Treatment:Control Sample source:Optic Nerve | Treatment:Control Sample source:Optic Nerve | Treatment:Control Sample source:Optic Nerve | Treatment:Control Sample source:Optic Nerve | Treatment:Control Sample source:Optic Nerve | Treatment:Control Sample source:Optic Nerve | Treatment:Control Sample source:Optic Nerve | Treatment:Control Sample source:Optic Nerve | Treatment:Control Sample source:Optic Nerve | Treatment:Control Sample source:Optic Nerve | Treatment:Control Sample source:Optic Nerve | Treatment:Control Sample source:Optic Nerve | Treatment:Control Sample source:Optic Nerve | Treatment:Crush Sample source:Optic Nerve | Treatment:Crush Sample source:Optic Nerve | Treatment:Crush Sample source:Optic Nerve | Treatment:Crush Sample source:Optic Nerve | Treatment:Crush Sample source:Optic Nerve | Treatment:Crush Sample source:Optic Nerve | Treatment:Crush Sample source:Optic Nerve | Treatment:Crush Sample source:Optic Nerve | Treatment:Crush Sample source:Optic Nerve | Treatment:Crush Sample source:Optic Nerve | Treatment:Crush Sample source:Optic Nerve | Treatment:Crush Sample source:Optic Nerve | Treatment:Crush Sample source:Optic Nerve | Treatment:Crush Sample source:Optic Nerve | Treatment:Crush Sample source:Optic Nerve | Treatment:Crush Sample source:Optic Nerve | Treatment:Crush Sample source:Optic Nerve | Treatment:Crush Sample source:Optic Nerve | Treatment:Crush Sample source:Optic Nerve | Treatment:Crush Sample source:Optic Nerve | Treatment:Crush Sample source:Optic Nerve | Treatment:Crush Sample source:Optic Nerve | Treatment:Crush Sample source:Optic Nerve | Treatment:Crush Sample source:Optic Nerve | Treatment:Crush Sample source:Optic Nerve | Treatment:Crush Sample source:Optic Nerve | Treatment:Crush Sample source:Optic Nerve | Treatment:Crush Sample source:Optic Nerve | Treatment:Crush Sample source:Optic Nerve | Treatment:Crush Sample source:Optic Nerve | Treatment:Sham Sample source:Optic Nerve | Treatment:Sham Sample source:Optic Nerve | Treatment:Sham Sample source:Optic Nerve | Treatment:Sham Sample source:Optic Nerve | Treatment:Sham Sample source:Optic Nerve | Treatment:Sham Sample source:Optic Nerve | Treatment:Sham Sample source:Optic Nerve | Treatment:Sham Sample source:Optic Nerve | Treatment:Sham Sample source:Optic Nerve | Treatment:Sham Sample source:Optic Nerve | Treatment:Sham Sample source:Optic Nerve | Treatment:Sham Sample source:Optic Nerve | Treatment:QC Sample source:Optic Nerve | Treatment:QC Sample source:Optic Nerve | Treatment:QC Sample source:Optic Nerve | Treatment:QC Sample source:Optic Nerve | Treatment:Sham Sample source:Optic Nerve | Treatment:Sham Sample source:Optic Nerve | Treatment:Sham Sample source:Optic Nerve | Treatment:Sham Sample source:Optic Nerve | Treatment:Sham Sample source:Optic Nerve | Treatment:Sham Sample source:Optic Nerve | Treatment:Sham Sample source:Optic Nerve | Treatment:Sham Sample source:Optic Nerve | Treatment:Sham Sample source:Optic Nerve | Treatment:Sham Sample source:Optic Nerve | Treatment:Sham Sample source:Optic Nerve | Treatment:Sham Sample source:NA | Treatment:Extraction Blank Sample source:NA | Treatment:Extraction Blank Sample source:NA | Treatment:Extraction Blank 1,4-Bis(2-ethylhexyl) sulfosuccinate 15571241.91 36680405.75 21877195.53 26788778.53 11540101.82 5205032.562 759181.9323 3625852.941 11442952.09 8098831.842 3198347.354 984569.5508 3454088.015 2043854.516 1002621.04 4073097.526 1212527.388 2485553.34 1135332.841 992631.7212 14222699.64 38071486.93 22450395.03 5193084.007 8906759.793 7092463.708 9554648.777 38591144.47 15123947.74 15429079.55 28360765.37 14738591.89 15931465.01 7026654.756 7041998.8 13034430.53 14486750.12 13760262.38 41403745.39 5547701.593 1639789.471 1988923.357 2299591.104 2243568.434 8418094.876 11355798.17 2847547.609 1738783.311 1252417.175 927166.151 1936918.054 1653151.964 2016823.071 6741228.958 2526264.862 5355629.21 9693057.824 784829.8125 1288977.708 13092506.36 77386356.35 4953147.834 6587585.575 67668004.49 22819326.79 5363518.892 25628073.3 16734266.85 7690054.679 27677940.23 43780355.27 36716079.77 8083612.826 13595325.75 12526148.35 14477493.45 8789579.525 6775749.136 6846190.356 243758.5966 508767.3103 214615.8061 1D-chiro-inositol 3759248.702 2555868.065 1862271.569 5097632.129 1786360.375 522675.5759 3653661.563 748353.2656 254952.3325 494788.3633 802089.7453 3470160.169 1601346.559 1369234.558 2687903.502 1540431.456 317317.4219 4060175.602 10181196.88 1118915.494 1920900.551 1621625.111 1389792.999 408551.4417 498578.9693 412200.4404 214010.1328 1270980.043 4971136.116 419895.8217 284601.2056 457234.2145 302634.1554 600641.9511 1177281.343 1081201.365 1183097.93 3076878.284 1763672.196 5163586.298 7221400.842 3087480.018 3912635.711 7283219.79 17764769.4 4886598.194 1708813.736 15803255.39 3193688.941 2898863.056 58225.26391 3838094.477 15581520.85 1891335.058 1671915.574 1979449.319 822274.6844 842245.072 232819.3984 260144.9616 4037057.262 2649790.926 1815974.766 1078369.805 597398.8611 2984576.204 2478733.065 1998247.351 2150466.502 1156659.961 1229420.554 662303.3807 1827977.667 1241915.129 1175476.258 2471363.006 1068179.645 1023880.849 288140.9061 3505.421854 3664.741828 3882.983391 1-Methoxypyrene 557181.1841 190577.5089 612503.6291 11907801.65 1224849.66 145991.7339 67825946.69 3086227.18 129002.6339 1209809.467 2198744.222 36063873.54 11815210.21 7709090.841 10476399.33 6918243.309 2097006.056 19476578.03 35974781.98 2655476.556 694266.4425 5038565.481 391673.798 1124758.52 469303.0859 231027.8025 67490.16412 1185661.314 1636692.444 121057.8609 955015.9407 2389386.422 230535.4689 423301.9078 355102.5852 648143.8842 299762.8911 9853783.368 232797.8325 14091726.69 17106415.26 17375715.78 8382056.441 5738897.616 19790170.1 6591833.964 441267.9869 5925752.15 27763016.94 26146939.24 11463.30712 2857318.255 34011127.67 5706148.876 5726110.784 12047810.17 1015577.803 5594896.428 1057944.483 116179.0266 656124.7557 2658729.018 318370.4198 188406.8673 943529.4583 32280716.4 1000912.176 1423196.846 2493575.924 650991.762 264041.4382 631317.3235 490117.7323 5682060.108 1057727.122 279500.5274 1752873.633 16557002.13 77243.40282 1020.701035 1134.321594 1199.976514 2-Dodecylbenzenesulfonic acid 6253716.245 14129858.42 17087345.52 7611689.843 11964074.03 37744717.67 577787.4596 583966.9926 7760195.981 5551016.519 3090962.458 4806097.775 6322035.338 4092685.529 1280604.454 3093500.428 702687.0777 10609347.34 6213982.139 8048013.567 5866229.054 10060754.51 8441552.178 6928223.192 17782237.71 12419536.51 7056898.147 3733794.607 10300358.78 3534111.125 15334813.41 36697811.55 10303297.92 7039679.835 9269262.478 9124279.476 16212371.29 11366519.01 16901390.35 1574570.423 2062186.618 1698278.561 4682935.183 2602044.389 1813103.94 4214941.649 5858787.465 652763.966 1698918.423 2238672.199 3318120.409 240082.1157 721441.1308 1070486.579 352334.1834 5386182.122 70957706.58 3976509.429 6000549.508 17203903.4 13680237.93 1260584.21 6871099.39 10648599.48 3899443.771 4993290.931 7608239.356 24823908.4 25983079.25 109586707.5 25751694.8 3984994.72 13213342.78 16347393.63 16207344.53 5595825.617 8213976.101 479732.4681 5018852.894 169437.0978 245302.6789 350539.1635 2-Hydroxymethylserine 619999.6582 1344944.612 1788510.637 4638992.521 1419837.272 7348684.651 717519.9191 223196.74 339820.8441 619891.7243 604597.8138 9316535.408 2468541.239 244534.9607 9422933.785 333548.4055 323727.5637 3989900.122 1495920.843 5056330.644 1007968.111 739197.1313 767633.9644 178326.6073 249670.7219 378442.5333 221305.2334 547500.5191 1149725.485 218671.2375 355090.7804 475202.0798 410085.7243 330307.0435 661738.0611 463996.1048 551378.6029 415665.593 497175.3163 316378.6293 500026.1666 386108.7314 156195.4639 892755.1068 113210.0735 734056.2207 1295083.868 284956.9056 588072.9382 290576.8876 93714.03703 2582783.939 216820.8793 311975.1106 198762.6116 24881859.03 1961534.521 612087.293 132372.5955 263608.8701 991876.7614 121389.1112 612382.8182 2118006.576 372498.4362 621826.6386 2276511.594 1471090.185 1541994.372 1186357.749 3248878.103 392569.6481 706940.7231 312266.9286 1240087.648 1198385.884 751014.8992 335005.7527 253631.5135 6358.659137 2845.923304 3096.738279 4-Undecylbenzenesulfonic acid 10939986.24 8742221.658 9921733.665 9242035.085 5430899.806 17346928.47 1368177.469 1622335.522 9164938.614 11652561.95 2429750.962 5227017.647 4611412.388 3298055.194 3282316.248 1898503.201 944010.7752 8633351.957 6595887.732 1813429.084 8131823.733 14021755.92 7071656.978 15378322.36 14887301.24 24620302.43 5808942.731 5423102.844 6623620.349 5579621.096 32637958.96 29196095.5 61513908.78 22814524.8 9096447.419 5652773.918 24462931.61 21355205.27 16677766.17 4453040.975 4923004.345 2909462.062 4670508.893 4601977.263 2807607.387 2137494.531 3064126.127 1007019.727 5317798.362 7050739.549 7227728.403 922971.4465 1248731.796 1404392.134 726251.1165 2468128.124 42228112.02 8807188.848 4729729.273 6321120.92 14864831.51 1002751.306 4691987.786 21092600.94 11514281.21 8520188.305 10051370.18 14525447.76 26482341.24 140478726.3 26863544.25 4492543.485 9028406.594 9397773.36 44670963.11 7840574.707 8213553.79 2851978.035 16487938.82 271846.7337 489038.7469 607873.7103 8-Hydroxy-3-(methylamino)-2,3,4,4a,9,9a-hexahydro-1H-carbazole-6-carboxamide 3821757.283 24330930.09 10872942 13213883.12 10852993.85 13008268.59 3767658.848 9380539.439 17453709.96 39423927.18 2045403.869 1498254.78 23975439.76 19178866.63 19766017.34 10192794.34 5288200.055 13907806.24 17383015.15 25471031.27 15927669.25 2885665.317 5358478.76 4362608.284 3752442.56 23361187.04 12549210.7 39556668.67 15336931.3 4151358.704 28593998.88 16043901.38 25503517.66 1746382.48 30742671.56 38482623.33 8506395.651 13362399.99 29757196.36 21028912.98 20085473.86 5933526.701 13093351.87 20379647.27 2841468.7 39790188.16 40090548.12 2850840.991 24876335.85 20511444.39 11380330.08 16282013.15 3781921.148 1800101.592 11390521.08 21015005.65 26455872.82 1633057.186 10747655.31 29720190.24 14391218.42 4121642.024 2541252.223 23229143.28 9073325.564 23222544.74 26436839.11 2154711.265 12235471.49 14886525.67 15130278.7 10207366.2 10823863.89 13176673.27 15016272.48 12467353.7 11705194.86 4585268.437 12278905.66 553671.0892 411702.2291 439795.4926 Antimony trichloride 2741359.802 13064733.92 11277941.11 5385576.641 11394904.7 1846965.984 540615.2622 506485.604 8592757.697 3654044.455 2433974.722 385988.8134 891696.9559 1018028.109 253556.2271 1573296.561 851468.8285 226984.5468 258148.8335 1427717.745 7825904.481 2253007.096 8362079.588 1378362.791 4096361.485 11705651.29 3710534.022 4172972.336 14780239.34 10896872.27 18389278.09 4124808.036 13968280.58 1591184.546 932076.9165 756214.9737 1649874.452 6410079.696 1586053.744 637874.2631 667491.9938 443477.7497 561044.5536 497264.7019 487806.045 756144.4512 1995131.148 767083.6859 400018.7286 228484.3422 459316.8882 636793.6465 502054.5219 406300.4497 573222.3817 402234.1981 16292495.55 292830.9202 445137.5726 6351348.194 7797547.605 1304177.671 4406038.268 5515497.618 13341022.45 2509058.177 4571854.337 3012661.038 3264439.88 7750908.461 10827418.61 3374917.369 8381390.093 11512427.31 7722504.374 7710706.199 3388249.494 245826.0056 3955417.62 113206.1512 105617.3961 59952.7853 benzal chloride 3807886.953 5177261.47 4933892.203 4493244.776 3130952.271 660627.915 113478.5566 199969.3414 627271.6869 1079824.679 1641615.989 403631.0149 80888.61226 140724.5198 450343.6715 387360.869 142218.9702 161483.0758 469478.1018 1013978.143 3467635.776 789604.0544 1222755.049 173792.2122 983583.8774 1001398.089 2364501.983 5613884.293 669841.5172 15099931.7 1960567.978 2117341.128 2702045.404 5135991.642 1101864.717 893536.1048 1401848.841 2332204.747 1240833.64 201904.88 103974.6925 1214833.847 393142.9139 997231.3329 288838.1108 753729.5555 578828.2477 118036.402 214690.8913 87893.8585 193731.401 222619.6461 222485.1197 56480.94696 147882.8017 66606.04862 1247817.125 504162.7205 1266419.261 664502.7986 5831989.068 1329034.852 1878140.992 1279537.039 1875476.875 87507.13725 813039.0712 20691378.74 4004592.972 3252925.488 24409661.08 7161127.197 4363102.92 1717831.569 28624872.84 913367.0656 2723425.04 115723.5008 9172813.394 7663.288327 100314.4075 62304.94024 Cimaterol 107733.9818 134146.2918 142432.316 272434.096 142437.9992 1190572.034 59751.62848 156516.9283 65215.44723 255966.4096 416971.6663 175351.1743 212460.5072 187828.6861 267670.9646 75592.4763 72254.56136 416607.3346 303910.5856 329504.6282 102196.7937 180046.7125 277626.9752 354106.8554 446404.2724 248489.8844 188603.5094 424941.6378 113723.5008 203375.0204 316907.5072 141098.4926 137337.9327 89922.42472 161214.6521 370246.6329 102147.656 111182.2953 94417.25212 316559.7092 1149922.557 140752.6114 107016.201 263242.0211 215286.3275 187738.4113 466911.7589 129619.3101 210136.7398 223955.9535 80214.0072 287730.6342 40952.01582 221492.401 86104.6544 252931.7304 132093.9931 166789.9953 389452.391 112083.8606 142912.7751 16124.45054 52657.82891 93103.4575 56360.06076 240999.0715 89633.67281 172719.074 114163.2496 104454.564 146708.0666 68670.2244 147801.5219 113369.3117 210313.4752 109597.5096 118820.3372 154327.0553 112383.7671 1509.390801 6621.617981 1544.645044 Corn thiazoline 782934.688 860744.6815 1139779.444 2742707.453 1288264.657 1066692.073 7319019.548 4777979.142 921108.0989 4226933.396 5000264.05 2122385.602 4379705.867 15246275.93 3334055.586 2298095.571 3473923.03 2014163.09 3843587.152 6376288.555 1060060.021 4034038.98 2883975.546 1943004.456 1230064.386 1668364.28 3598117.788 7916456.271 918679.7501 986640.3684 1457469.167 1027615.104 1113537.185 2673389.643 8397393.58 4373525.59 1221563.657 997238.241 1724766.846 5948081.701 4732896.004 12894646.47 11085945.1 7067393.984 9310262.1 10424569.18 4695647.522 6860712.002 17897567.11 3184115.12 9158630.258 29771481.91 6423605.654 3563057.397 5642644.228 2789021.903 946419.7831 2681270.568 3260143.903 951283.0192 1133545.387 10220336.32 28444202.49 1340509.325 1881494.698 10767764.29 841110.0677 1164799.084 909383.6443 800078.0975 960286.4715 1621542.576 1138039.904 1092276.916 932871.7292 925381.8296 883262.7172 5547696.911 2229091.371 9977.037446 10441.88522 9553.801985 D-(+)-Glucose-6C13 399285.0083 384113.0349 502685.6345 667368.6876 538538.4679 84317.75028 3587948.641 420339.1514 222326.2929 299877.8695 171491.7302 5158569.611 618216.8521 97556.24318 417031.489 70023.30083 23631.43027 1349505.018 4280814.676 696181.0832 464905.6441 204867.6691 458713.1077 175552.2129 161192.0911 170010.2298 188062.4991 184308.0023 556657.553 363311.3763 312345.4878 833426.979 256866.7629 167728.1624 150786.8105 165455.3218 218256.0111 448408.1143 222340.349 298234.3985 396049.9316 49046.17927 52424.36136 104886.9109 157759.8849 64433.46152 73375.28464 305820.6681 2504990.69 1778708.584 26978.92569 68526.7585 2747720.632 525568.4346 73833.79478 1017724.426 401436.3965 669061.5161 75574.44075 233765.1516 487709.5724 46067.1556 180255.192 239628.7093 172557.0748 134395.6897 444240.1136 491407.0632 739155.2564 531402.2928 493569.5054 194966.4488 552947.3482 422116.6603 444073.0902 539112.3613 783872.5082 390872.6895 244033.0374 3379.653877 3230.918286 3428.016208 D-Glutamate 229945.3627 256316.5064 380035.431 446397.5695 352252.7875 75870.17208 1035122.401 750211.8533 147644.6821 135719.2604 164550.4924 646298.4294 1631293.517 217485.218 738166.0099 141750.2734 35965.40673 1598773.713 535150.36 169051.8896 443516.8818 168007.3889 230265.6135 139346.3011 104128.1037 123299.497 163255.0208 79350.26798 265002.8734 242399.9598 164254.2147 255590.8095 177751.5524 108812.7806 199699.8283 179415.516 154963.5808 548344.7771 200848.4282 147104.1933 748682.0428 666128.2069 373774.7447 416830.9927 190207.7759 422400.4287 187380.4557 674837.0009 2361065.453 2272771.883 118928.5509 123256.1428 2023443.462 632406.716 59828.36749 795155.5256 381671.8449 671610.5478 503867.0495 149628.6763 335562.0798 52487.12933 158351.1265 154460.0055 129329.3518 548319.6031 222489.2383 332926.4406 247955.3172 248855.2676 293093.4801 134790.0067 355880.3181 282071.5542 322787.8813 263742.7522 249408.6878 215945.5177 288864.9138 3360.23147 2841.485656 3124.131227 Didanosine 3543962500 3504541993 4735268212 4843846112 3741459699 1540291357 306912723.2 817795045.7 4073050520 3738400688 7066364141 411694966.6 582591319.5 1616269937 359449456.9 1452972244 449792325.7 609936827.5 407428371.9 478179334.9 6598528899 2273305217 3112072282 2565659379 2471656066 2644498648 3536340958 1967778217 4560343005 4983058285 4058468734 4533496510 6016783687 3381249864 2866253499 2904134251 4068266424 4559918151 4175624556 969669642.9 1806453656 1387804925 1053702171 1633875340 761681458.1 2062958206 2082081331 1119569864 800243356.7 760206447.3 1090282259 702384319 524295641.7 825727379.3 896389760.2 566734120 5352898232 795526201.7 715312906.4 3983057168 6199126648 1025475668 5110946254 5707401740 5203118957 1308553507 4667004606 3514787572 4174622463 5446580999 5242047072 3436283072 7988425723 9239438874 5242006814 5459067554 8050064872 425830204.7 3619091192 111242988.5 86323645.7 78983841.25 ETHYL PROPYL DISULFIDE 43608991.73 34797900.83 6297659.379 4590214.052 6447543.858 59190762.44 32526.51219 1524031.376 1015028.996 3989638.49 1410597.791 3331048.57 81133430.2 3842721.016 27141131.87 1492339.744 655140.6129 204310.577 6941725.531 28406633.74 2956141.116 7449253.284 43452591.15 1524122.496 2006175.28 1474438.338 232486.3946 4099273.848 38151894.58 187677.2702 818653.1141 1688974.253 477126.6434 20091319.01 18385788.23 41359818.66 25670909.8 4618390.137 36748541.39 3222156.674 3130516.002 5633718.635 7379115.782 34804844.02 5965932.926 4858781.381 9285566.2 2471678.872 5420677.859 17817368.34 35267.97715 2363057.954 1713410.446 507849.9427 566283.941 63385122.77 17940688.52 237741.6341 178266.5177 654684.5299 8298175.355 1932476.246 29652518.26 14234865.98 4620338.156 7493027.441 4964839.106 34026651.46 22944735.15 18973933.56 31239697.74 17311776.59 3270102.262 5865358.6 29267836.91 7798006.927 2514534.191 498102.4408 164345.0236 11016.56568 2477.348002 2670.163692 Glabrol 97665.67346 94712.9429 132648.8576 175811.0768 140463.3573 21559.3684 247936.9735 182337.1916 55595.40724 39676.40904 37357.60372 101423.5513 117129.8961 25569.01526 164393.4635 18817.12288 5898.687557 135788.5915 108545.6851 36357.30033 88705.93004 38288.54974 42603.13058 45122.70733 38392.63218 34870.27122 48548.79687 32569.38852 103866.2307 97192.05767 63563.90404 103671.1355 66194.87607 40760.49144 36783.81086 38769.2475 54597.0916 114785.6404 60807.46342 67776.36616 189904.8705 9121.619 322428.0112 23086.6441 520225.4236 15884.33152 18959.91254 266495.6934 240890.5187 86549.74559 76201.48365 18163.61928 268108.0056 157432.2489 19718.77012 54689.25932 107166.4913 133400.1503 209166.5723 60241.42665 122886.2814 12808.39109 45596.52678 58737.63566 45305.65464 36838.30947 97671.86824 130216.6205 92082.93721 86988.5997 106766.6011 46364.08968 133640.1098 99904.83436 118707.432 100839.9147 94152.45166 43266.37861 58859.71108 821.0951735 834.6849203 847.4019797 Glucoheptonic Acid 3886378.186 1545021.844 651141.0015 4903143.789 540093.0552 412879.1239 4997393.811 325119.2147 118219.8925 242009.421 546991.7118 2558216.635 2179595.561 1177546.198 1768977.174 1595697.008 262633.2797 2631986.577 3318746.784 232363.4361 1003193.51 472504.0596 1530139.077 270397.5066 320825.5135 203900.5645 103561.2861 504867.2511 546356.3684 202841.5809 122755.2916 235026.5704 151861.475 174112.5712 83615.08735 662319.2795 575282.3783 667384.59 200540.3484 2313392.385 3605375.631 3031048.409 3843994.29 6934088.686 8788854.519 4302521.843 177501.5904 7544333.779 2455490.587 2211957.728 39563.44069 1783715.955 4169289.924 1091348.14 791239.7607 1624224.863 476931.2039 610467.3322 196267.7994 120642.5337 2245533.254 1227596.805 943109.4957 574246.3743 177435.821 2279773.436 1263460.094 1007131.516 1218000.28 808942.6938 1407903.609 815611.2122 1098495.206 689190.138 739376.7488 1125917.023 482058.6138 761053.6218 132255.7065 1566.229884 1787.112236 1841.321809 Imafen 1265673470 787988895.4 859504700.9 234597838.3 329423875.1 1900751849 589363431.3 707687257.9 567193238.2 1958543181 1454470522 979056861.9 1830840013 1700544034 1577570488 820073280.7 320525693.7 1593303576 1112839215 1998811416 1189748289 1632754879 1321165886 1143056480 1138822556 915743609.2 1684108202 1453795992 1046934243 618594073.2 1131696748 510085673.4 1413822534 1072047802 1682212720 1289276960 611987112.5 282642867.3 1530151865 825984078.5 1064992071 909896549.6 926903177.7 1001383964 747263069.3 1677982495 1211226845 701112857.4 971373442 758816029.2 1283533847 519677669.8 535942680.1 880429998.8 659767803.3 1064455103 823804362.5 627854614.8 1313349988 1127573822 288857769.1 779602131.1 575434264.9 953266745.3 548928751.4 1548983111 568245489.4 629920575.4 509932384.3 382685070.6 230694629.4 971095945.5 447115322.5 664050927.4 279755589.9 971434588.4 271052276.9 410940069.6 462300630.4 21108060.85 18222679.22 18978496.87 indanazoline 256205850.3 345092435.1 129620967.1 195119000.2 164651327.6 1173415616 719289270.3 658301195.1 270474896.6 1597246847 922645447.1 704231793.7 755167574.1 924915625.7 1190095859 795008381.6 252693611.8 1251249153 628469509.7 1121174954 260451548.5 1000818634 1184857881 540249858.3 1022146445 710972937.2 346863835.5 959686096.6 286805068.4 484355160.8 533536151.1 249282492.8 1115393794 884100646.7 1438402338 961107843.7 488033768.7 276303485.9 383498838.5 723961823.6 2021217325 704567495.3 608005156.3 748489672.5 842526943 1249445837 1233893325 557903813.7 720203461.8 766208734.1 1281032787 398462945.6 579007331.4 679740016.9 391849880.2 1894003206 349631951.3 670766088.4 880715970.1 285863898 264305818.4 414409727 304829948 608656312.2 447611099 913563883.6 483093183.6 313828005.1 452037865.4 384426584.9 211557688.1 439655370.9 187831142.7 372835419.4 261028768.8 209291253.1 208384444.2 259955798.2 392904688.2 15739622.17 14158196.74 13696118.22 laurilsulfate 858630.6668 1345711.958 1228284.474 3520471.837 1091581.44 4487459.138 41561.25461 86193.3346 554936.3405 904637.77 307038.864 288515.7804 3222608.181 2976614.433 219402.8889 588278.2818 59062.3375 441781.7755 52394.04153 336872.3585 435676.7688 666247.2013 844689.2164 247791.7542 2624631.359 612101.8848 820502.2098 2040966.746 1169431.882 622275.2487 1699027.839 1713274.573 933501.7712 824187.2369 958982.6251 590780.53 310919.4397 1409149.338 299787.4529 212054.6725 94712.47154 196920.3735 151540.9561 540101.7549 683858.7273 260821.5104 137249.9119 359956.6363 1705932.773 663277.6482 155945.593 45626.94999 467293.4725 81953.82164 57934.8924 131166.0877 31515774.92 301341.6885 2210284.262 4553159.649 6459176.623 814528.009 3525955.451 1738132.151 548626.8284 2044937.062 1184014.542 816531.0158 2620022.556 453237.641 7859405.086 442606.3763 2155292.02 1591464.078 3188090.912 1223694.495 3134881.044 68655.20315 1049064.263 44288.47848 48978.30304 10962.62249 L-Threonicacid 8854767.319 12142443.15 16222438.34 9728011.595 7207441.047 11211230.81 5163169.428 2385179.255 1413360.468 2664445.19 1717808.522 1853640.975 16901849.05 1691709.381 31200212.55 1920040.806 896657.9958 3884798.75 83257566.16 62961987.47 3464030.525 3018482.878 4545429.036 967195.3444 1957687.49 1715854.614 448194.2804 41572387.66 5581476.444 539177.1425 1262385.487 1257409.734 911131.288 5373802.457 17576314.71 19533237.05 10723704.59 6082241.973 6396832.867 2612888.782 36447588.3 3579396.474 4453532.618 23460926.02 7198604.825 8712709.21 9674476.718 4233488.166 38452664.06 13261776.12 107283.6036 10315847.87 1331837.622 3771579.592 1825582.124 94570244.82 3500741.625 3799923.386 1281832.207 1785757.365 19449952.5 931326.9388 3144439.943 10177716.98 1925469.517 6481314.51 4950354.268 4811160.148 8576782.862 14621005.92 5336563.938 1776407.963 6310190.947 18361281.95 4689331.822 17641117.01 3242563.762 1391626.406 299654.2201 14132.46277 4626.800826 3930.633235 Medrogestone 1049633.377 1208764.062 3098407.958 5016686.984 4296265.5 50904667.26 33694.86211 68062.18775 698427.4859 508843.578 455752.1202 1172589.259 2509725.681 1685954.744 1532075.077 319623.8674 71884.04323 223003135.7 5031611.059 5174745.468 1472649.78 903920.7826 587187.3574 840513.9077 524813.223 362152.2946 1375251.499 498569.1038 1392042.139 1542083.907 820230.8072 2935951.991 1365305.641 597328.4893 759986.3914 669323.3956 1411519.936 3698847.346 1206347.941 1517734.509 4487753.714 4706572.248 101467.2277 147683.0412 78098.73019 229800.2599 198065.638 102994.3279 116552.5234 338328.6459 142473.1011 79275.72249 128303.1397 114193.2024 70982.53998 704442.4082 4612676.718 3030107.444 83874.5885 882876.3974 2012451.833 140546.762 520325.3012 601164.4965 1210348.068 446522.4838 2043307.106 1620836.309 1425538.088 11903299.17 3670031.583 503875.3513 2078138.502 1083342.103 2576373.189 912297.4555 982427.8984 81400.91875 1395475.11 4785423.607 4822934.377 7108670.859 meglumine 776991.3191 1283880.487 1285251.17 1823417.093 937379.8901 6806496.108 4629918.013 17987744.84 493301.6731 4739543.642 3479777.636 382914.462 22557941.58 6575426.603 2776313.003 34275468.99 2105827.772 502013.6903 6557496.168 4059946.17 1974516.662 5632735.644 2010234.962 1161232.272 979160.0884 796751.5869 732095.6578 8238877.653 897311.9211 614507.1786 808241.8424 794789.0065 276674.8845 1940515.222 12841305.73 2382314.664 1254292.595 950620.1598 1214214.138 8460709.417 30576261.73 14847401.01 24171064.41 15085613.6 79268867.7 61015319.42 14338688.64 11628032.52 13186707.28 30225949.34 1140654.284 43028007.43 3083068.362 28083735.86 33480833.03 41266093.91 3794712.519 629608.4392 8288646.995 625416.4366 4279187.513 52007836.94 7971519.15 977905.3923 1324932.53 15434963.05 1209072.592 3379654.46 2970379.801 1431467.452 1271770.937 3510225.33 1546762.151 1345756.512 1500365.034 1866120.054 1621428.837 15300358.45 534661.3632 3450.309617 3618.17101 3643.386103 N-Acetyl-L-histidine 104405.1195 118450.1806 153416.9152 206756.4924 160243.8112 24217.85234 20283.49754 7279.121798 67900.6249 53231.26656 39902.80989 72895.79808 3297.89114 30308.68551 7145.160305 37744.34843 6698.493875 5186.498946 301692.7185 2946.16965 97407.53365 44684.33695 54247.23641 50630.92265 47563.82105 43854.23564 54265.536 41145.79264 112786.0702 118588.773 71949.40422 131370.9956 74255.23577 77956.98147 44983.92895 58392.75811 71994.90332 130121.8067 78705.58344 10440.18891 5677.038724 11129.33853 8098.489934 18883.25533 7975.136844 21241.85514 22663.38203 9885.015668 5174.394814 4289.583983 8507.405636 9668.950763 1022722.44 4641.857217 8045.786598 9583.291044 128224.1977 3197.218275 4514.66723 73892.9699 156569.9171 14489.94743 56263.36928 80982.22715 56355.2598 31868.09007 105596.7962 151663.7684 111361.8906 106264.9437 137455.1573 54317.22779 163157.9391 136950.5657 126555.166 163559.7827 115527.1248 7313.237097 72602.96888 1027.028232 1133.852522 963.4917074 N-Benzoyl-D-arginine 4029929.741 4056791.471 4700661.916 4275258.034 3250529.951 704259.5013 288940.8167 649856.8046 4553544.263 5187948.628 1582516.361 259674.0493 718698.2596 1573484.91 1160982.942 778568.073 374777.7682 540402.7611 228050.2775 478440.4405 3996412.957 1707317.158 3219978.525 2682910.824 1482178.212 2138196.331 2855299.002 1875695.026 2714432.369 2240258.773 6300580.834 2786870.789 2564685.736 4256761.441 3541836.301 4847878.47 2788513.862 7973958.637 5808960.897 1116648.024 1497904.798 1752585.825 779373.3081 1114934.11 1148734.538 2633628.598 3434626.159 925663.7783 692381.267 756424.4083 986938.6547 445238.1175 1797881.204 524792.6958 584797.891 889101.0707 11353558.1 730685.119 326476.4625 2973747.622 10477658.75 1159745.45 3693320.494 6022953.753 3858668.118 1796267.101 6496592.972 7466474.212 5469522.686 9774957.618 11044669.85 2515616.555 12460812.77 2755858.806 8516544.525 5188581.81 3585135.167 939125.6009 2356360.965 146612.2825 103915.3769 93451.41482 NTZdes 172181.254 293642.984 321174.576 635755.2097 341684.9687 1384886.787 25997.65458 43002.2556 148431.5673 95857.12036 111595.4292 429637.3544 161891.2347 53014.88918 44237.48881 97428.90535 12787.53313 2555469.515 321947.2831 381880.9788 186304.8861 237756.4207 109516.3887 156680.3571 483513.2682 131562.457 236593.5831 130985.7526 331483.4348 303005.0831 373396.5194 322368.7971 284762.5119 199670.7537 1043536.226 104049.0778 144323.1505 206497.5474 138607.1456 61101.70383 94215.19854 126273.1923 27885.11569 71346.93368 22740.86454 82061.92951 158475.0977 21775.17087 42331.38044 44813.02914 19229.2692 15763.26183 42858.5777 42959.84657 22078.42453 19896.58866 1133784.563 579958.0303 104037.0138 226172.4675 401487.151 21401.20407 76642.28148 226596.0614 168123.9678 174662.6017 957621.6401 299869.2676 223835.6572 796915.9779 1247541.449 93053.85869 305845.8111 308890.3109 597829.0285 232511.4813 350415.7455 25308.97042 149874.8928 1797.863687 2115.214218 2154.017378 Parbendazole 7445222.459 8884973.687 2425096.825 1158159.89 2562295.406 27572962.65 8236283.765 13690393.33 931651.4991 14688500.73 40470197.8 3735793.033 15696994.53 32536709.68 18365025.39 27037631.45 6918549.72 1382842.715 20455717.14 19604421.9 1716557.235 15918341.96 9522838.171 4545309.353 15472513.17 23426109.46 18602502.87 42147972.67 1026336.012 5131258.514 11273651.72 2907936.55 6755159.655 25194455.05 7867731.431 6956802.484 22139107.25 5668688.007 13685100.61 6048713.342 10870808.1 9041895.715 24140723.03 8925835.277 4420334.997 41782007.97 14943063.26 9433077.695 11991743.4 3548776.285 1711440.781 15743643.92 4038718.031 11938049.61 10306571.92 20254462.51 6426375.102 1240112.897 22349882.88 8244019.601 4142305.122 4318733.258 23242096.46 37846045.9 6349007.001 15773478.35 3556607.838 3044826.339 2852577.146 4449506.712 3236868.266 6385966.977 809347.0259 3330515.669 4480147.064 4436231.244 6760002.567 12177228.99 3956805.806 70206.64579 43918.29447 175195.3051 Pentyl hydrodisulfide 1668010.378 653314.1569 1245820.906 617975.8536 1227501.941 38894784.63 816723.8216 3316208.685 491706.1754 1302965.038 1544048.734 45317683.1 1478517.637 1968975.456 49820757.62 200257.1217 226187.6389 10059258.62 59012196 78371675.15 691462.7751 6917389.389 3283939.211 925162.8064 1328193.103 617877.35 657418.4666 1039591.403 1272147.233 459848.4334 720918.2899 617309.8756 393015.2161 1017605.216 2948106.922 1037993.832 859679.0724 653957.0715 2262311.004 859407.3926 9930642.428 774313.8615 1165411.868 2484231.86 9029871.375 4683187.738 4132986.064 1322761.623 1162546.766 14769265.53 624235.7658 2618420.959 317603.1282 3370912.645 15633354.6 23457242.43 943465.4701 3964335.528 1070547.548 296724.0257 956093.5276 159920.941 369668.8895 1032903.241 249482.8295 1866164.657 357925.1207 536679.1685 691468.6483 370095.5186 738747.9582 337961.962 1901579.887 2579849.636 1385260.757 734951.4419 1115077.033 3666973.379 541149.0531 5166.238134 4978.527185 4610.499688 Selenium dioxide 168400.0586 201006.5914 175910.6722 271521.6477 372225.6975 206343.425 375230.4412 393294.012 142021.2317 238612.312 286947.6643 156923.1005 274052.689 907169.8575 242562.8798 396599.22 166842.6531 212979.565 249271.6682 243342.1286 398785.5968 132009.9454 69308.03151 101085.5781 136939.2405 72342.02506 65703.86401 147355.1714 168471.0519 129974.6582 83379.70922 153730.6468 88583.17505 127285.6369 283386.0478 212166.8986 106927.8501 705190.4428 212637.5772 486694.0598 242002.5991 489221.2745 508002.1669 1631016.492 372081.1805 1701439.86 951833.8046 688355.6742 318995.8944 274123.6359 96547.10621 396397.4287 392658.3127 380071.3353 49713.90259 328841.7054 363697.9383 201575.6296 280852.3664 80653.21913 211316.1205 755860.7895 936655.5564 90653.88269 150415.2661 616226.324 258819.429 175761.2984 239326.9387 135927.1109 252093.95 219832.9617 533949.2237 225409.6792 375372.0211 124813.7336 136176.0847 142718.4743 97206.75977 1194.254418 1227.228801 1132.104323 streptamine 5-phosphate 1682627.718 15972705.89 14422495.9 1302321.805 16438608.7 11547354.52 1127511.142 511818.5347 39404672.86 4772708.404 7783270.033 166084.3285 712146.3836 1191032.963 330301.6232 1708961.103 909886.8521 281635.5023 409150.1796 1953802.127 3065606.025 1044059.235 39002483.26 1152624.506 6243715.671 6966529.718 1852690.718 3094514.609 9856424.929 1927641.166 922454.7209 2623791.406 10564926.75 10730934.44 1183059.96 833496.5852 4477258.857 1515567.023 1243470.157 974782.8013 657653.5769 712095.1231 633725.602 861166.9508 736510.6397 1203076.72 1096556.147 670679.9498 444412.8736 345771.77 2327407.19 766526.391 586849.4087 840376.9427 3402878.964 543845.9127 5713128.379 604434.4854 1739263.078 29435231.67 11746604.63 541035.1181 16923384.99 7498299.061 9029872.081 2374892.856 25811966.6 4847338.962 3817789.468 9888684.814 29509701.57 33341401.06 11674484.7 31563235.52 7188622.993 32501247.15 7138887.745 1257793.085 10668370.21 251435.4811 12517.81043 23476.96611 tolonidine 1503931696 2366980220 1668387318 1721747839 1915363871 1718511557 684848662.3 1243616864 2244545224 3348612281 3261896519 591952343.2 754163944.8 3789952833 643140871.4 3088894330 766557375.4 393202649 661813909.7 639458249 3457424695 4649793420 4111715433 2822140415 3784729740 3941517137 2321967795 4233241071 2687833231 3355367774 2322712506 1592881099 2402569931 2192340991 4313656194 3267660191 2076339744 1296108866 2339089175 1212551911 1308643481 2049041913 1818895285 2934808484 1946812561 2833640506 3215702004 1586776678 1236560018 973704614.7 1158842723 1138593941 950094169.8 1165368596 1090869804 744781686.5 1427038524 592909143 1545213320 4643111761 3469093024 1833827085 4735826566 2273027908 3400311604 3754790031 1534904354 1717500526 1727667869 1755774461 1659845757 3905003079 1765675529 3624310380 1560686268 1653761631 3026909674 934992763.3 2567699116 40674251.82 44016591.56 45528508.48 tramazoline 425952642.1 1283328351 535843977.6 222934104.4 406285829.6 1779719868 572602156.2 1009708697 899552983.7 1909730224 1563435631 670328994.3 2967510973 2234784447 2308013336 1136583095 350341937.6 1702386852 1676804156 2080811092 720448066.9 1906670988 1915841817 1064617994 1237191374 986667710.4 1487479924 1640009260 643751655.7 719885337 864346089.1 1088885456 1104470281 1352777741 1751435639 1395428961 740937262.3 304659312.1 1925842381 991861019.4 1110632829 1246986057 1165765931 1691135826 854717534.1 1997383890 1528851186 715419709.2 882612628.4 1125564526 852068343.4 586816059.8 690758075.3 981405113.5 720150182.9 1595450919 696102186.9 694309886.2 1187945828 1196914628 324824378.3 748859764.5 858279344.6 1203447350 592000926 1734438956 543872786.4 715390325.7 580107895.1 394386336.2 323911759 944698979.5 587907817.9 1260617545 267775108.6 420878822.6 418274333.8 489870416.1 255386530.4 24241551.59 22118894.38 21745291.97 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name Calc. MW m/z RT [min] 1,4-Bis(2-ethylhexyl) sulfosuccinate 422.23462 421.22734 5.365 1D-chiro-inositol 180.0632725 225.06158 5.8075 1-Methoxypyrene 232.08886 231.08158 5.525 2-Dodecylbenzenesulfonic acid 326.19199 325.1847125 1.07125 2-Hydroxymethylserine 135.053605 134.046235 2.7175 4-Undecylbenzenesulfonic acid 312.1763533 311.1690767 1.083666667 8-Hydroxy-3-(methylamino)-2,3,4,4a,9,9a-hexahydro-1H-carbazole-6-carboxamide 261.1481425 260.14085 3.82625 Antimony trichloride 225.8107171 224.8034386 6.074142857 benzal chloride 159.98509 158.97781 9.803 Cimaterol 219.13741 218.12994 3.257 Corn thiazoline 129.024645 128.017365 4.542 D-(+)-Glucose-6C13 185.08009 225.06397 6.0135 D-Glutamate 147.052485 164.0336 5.6415 Didanosine 236.0910011 235.0837232 4.460243243 ETHYL PROPYL DISULFIDE 136.0376 135.03027 2.718 Glabrol 392.19693 391.18966 5.694 Glucoheptonic Acid 226.06875 225.06148 5.49 Imafen 187.1106574 186.1033156 4.635534884 indanazoline 201.1264218 200.1190658 4.678157895 laurilsulfate 266.1555 265.14822 0.881 L-Threonicacid 136.03765 135.030335 3.0415 Medrogestone 340.240485 339.23321 1.0105 meglumine 195.11017 194.102895 4.5 N-Acetyl-L-histidine 197.07963 196.07236 7.251 N-Benzoyl-D-arginine 278.138555 277.13128 1.039 NTZdes 265.01602 264.008745 1.1325 Parbendazole 247.13223 246.12492 3.867 Pentyl hydrodisulfide 136.03758 135.03026 3.377 Selenium dioxide 111.906405 110.899125 5.1415 streptamine 5-phosphate 258.06044 257.05316 8.6535 tolonidine 209.0717148 208.0644374 7.199645161 tramazoline 215.142218 214.1348867 4.502934783 METABOLITES_END #END