#METABOLOMICS WORKBENCH sbhattacharya_20240209_071652 DATATRACK_ID:4635 STUDY_ID:ST003278 ANALYSIS_ID:AN005370 PROJECT_ID:PR002032
VERSION             	1
CREATED_ON             	June 21, 2024, 12:12 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 Retina
ST:STUDY_SUMMARY                 	We profile the metabolite changes in the retina 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
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_Ret1_POS1	Sample source:Retina | Treatment:Control	RAW_FILE_NAME=CTL_12dpi_Ret1_POS1.raw
SUBJECT_SAMPLE_FACTORS           	-	CTL_12dpi_Ret1_POS2	Sample source:Retina | Treatment:Control	RAW_FILE_NAME=CTL_12dpi_Ret1_POS2.raw
SUBJECT_SAMPLE_FACTORS           	-	CTL_12dpi_Ret1_POS3	Sample source:Retina | Treatment:Control	RAW_FILE_NAME=CTL_12dpi_Ret1_POS3.raw
SUBJECT_SAMPLE_FACTORS           	-	CTL_12dpi_Ret1_NEG1	Sample source:Retina | Treatment:Control	RAW_FILE_NAME=CTL_12dpi_Ret1_NEG1.raw
SUBJECT_SAMPLE_FACTORS           	-	CTL_12dpi_Ret1_NEG2	Sample source:Retina | Treatment:Control	RAW_FILE_NAME=CTL_12dpi_Ret1_NEG2.raw
SUBJECT_SAMPLE_FACTORS           	-	CTL_12dpi_Ret1_NEG3	Sample source:Retina | Treatment:Control	RAW_FILE_NAME=CTL_12dpi_Ret1_NEG3.raw
SUBJECT_SAMPLE_FACTORS           	-	CTL_12dpi_Ret2_POS1	Sample source:Retina | Treatment:Control	RAW_FILE_NAME=CTL_12dpi_Ret2_POS1.raw
SUBJECT_SAMPLE_FACTORS           	-	CTL_12dpi_Ret2_POS2	Sample source:Retina | Treatment:Control	RAW_FILE_NAME=CTL_12dpi_Ret2_POS2.raw
SUBJECT_SAMPLE_FACTORS           	-	CTL_12dpi_Ret2_POS3	Sample source:Retina | Treatment:Control	RAW_FILE_NAME=CTL_12dpi_Ret2_POS3.raw
SUBJECT_SAMPLE_FACTORS           	-	CTL_12dpi_Ret2_NEG1	Sample source:Retina | Treatment:Control	RAW_FILE_NAME=CTL_12dpi_Ret2_NEG1.raw
SUBJECT_SAMPLE_FACTORS           	-	CTL_12dpi_Ret2_NEG2	Sample source:Retina | Treatment:Control	RAW_FILE_NAME=CTL_12dpi_Ret2_NEG2.raw
SUBJECT_SAMPLE_FACTORS           	-	CTL_12dpi_Ret2_NEG3	Sample source:Retina | Treatment:Control	RAW_FILE_NAME=CTL_12dpi_Ret2_NEG3.raw
SUBJECT_SAMPLE_FACTORS           	-	CTL_27dpi_Ret1_POS1	Sample source:Retina | Treatment:Control	RAW_FILE_NAME=CTL_27dpi_Ret1_POS1.raw
SUBJECT_SAMPLE_FACTORS           	-	CTL_27dpi_Ret1_POS2	Sample source:Retina | Treatment:Control	RAW_FILE_NAME=CTL_27dpi_Ret1_POS2.raw
SUBJECT_SAMPLE_FACTORS           	-	CTL_27dpi_Ret1_POS3	Sample source:Retina | Treatment:Control	RAW_FILE_NAME=CTL_27dpi_Ret1_POS3.raw
SUBJECT_SAMPLE_FACTORS           	-	CTL_27dpi_Ret1_NEG1	Sample source:Retina | Treatment:Control	RAW_FILE_NAME=CTL_27dpi_Ret1_NEG1.raw
SUBJECT_SAMPLE_FACTORS           	-	CTL_27dpi_Ret1_NEG2	Sample source:Retina | Treatment:Control	RAW_FILE_NAME=CTL_27dpi_Ret1_NEG2.raw
SUBJECT_SAMPLE_FACTORS           	-	CTL_27dpi_Ret1_NEG3	Sample source:Retina | Treatment:Control	RAW_FILE_NAME=CTL_27dpi_Ret1_NEG3.raw
SUBJECT_SAMPLE_FACTORS           	-	CTL_27dpi_Ret2_POS1	Sample source:Retina | Treatment:Control	RAW_FILE_NAME=CTL_27dpi_Ret2_POS1.raw
SUBJECT_SAMPLE_FACTORS           	-	CTL_27dpi_Ret2_POS2	Sample source:Retina | Treatment:Control	RAW_FILE_NAME=CTL_27dpi_Ret2_POS2.raw
SUBJECT_SAMPLE_FACTORS           	-	CTL_27dpi_Ret2_POS3	Sample source:Retina | Treatment:Control	RAW_FILE_NAME=CTL_27dpi_Ret2_POS3.raw
SUBJECT_SAMPLE_FACTORS           	-	CTL_27dpi_Ret2_NEG1	Sample source:Retina | Treatment:Control	RAW_FILE_NAME=CTL_27dpi_Ret2_NEG1.raw
SUBJECT_SAMPLE_FACTORS           	-	CTL_27dpi_Ret2_NEG2	Sample source:Retina | Treatment:Control	RAW_FILE_NAME=CTL_27dpi_Ret2_NEG2.raw
SUBJECT_SAMPLE_FACTORS           	-	CTL_27dpi_Ret2_NEG3	Sample source:Retina | Treatment:Control	RAW_FILE_NAME=CTL_27dpi_Ret2_NEG3.raw
SUBJECT_SAMPLE_FACTORS           	-	CTL_27dpi_Ret3_POS1	Sample source:Retina | Treatment:Control	RAW_FILE_NAME=CTL_27dpi_Ret3_POS1.raw
SUBJECT_SAMPLE_FACTORS           	-	CTL_27dpi_Ret3_POS2	Sample source:Retina | Treatment:Control	RAW_FILE_NAME=CTL_27dpi_Ret3_POS2.raw
SUBJECT_SAMPLE_FACTORS           	-	CTL_27dpi_Ret3_POS3	Sample source:Retina | Treatment:Control	RAW_FILE_NAME=CTL_27dpi_Ret3_POS3.raw
SUBJECT_SAMPLE_FACTORS           	-	CTL_27dpi_Ret3_NEG1	Sample source:Retina | Treatment:Control	RAW_FILE_NAME=CTL_27dpi_Ret3_NEG1.raw
SUBJECT_SAMPLE_FACTORS           	-	CTL_27dpi_Ret3_NEG2	Sample source:Retina | Treatment:Control	RAW_FILE_NAME=CTL_27dpi_Ret3_NEG2.raw
SUBJECT_SAMPLE_FACTORS           	-	CTL_27dpi_Ret3_NEG3	Sample source:Retina | Treatment:Control	RAW_FILE_NAME=CTL_27dpi_Ret3_NEG3.raw
SUBJECT_SAMPLE_FACTORS           	-	CX_12dpi_Ret1_POS1	Sample source:Retina | Treatment:Crush	RAW_FILE_NAME=CX_12dpi_Ret1_POS1.raw
SUBJECT_SAMPLE_FACTORS           	-	CX_12dpi_Ret1_POS2	Sample source:Retina | Treatment:Crush	RAW_FILE_NAME=CX_12dpi_Ret1_POS2.raw
SUBJECT_SAMPLE_FACTORS           	-	CX_12dpi_Ret1_POS3	Sample source:Retina | Treatment:Crush	RAW_FILE_NAME=CX_12dpi_Ret1_POS3.raw
SUBJECT_SAMPLE_FACTORS           	-	CX_12dpi_Ret1_NEG1	Sample source:Retina | Treatment:Crush	RAW_FILE_NAME=CX_12dpi_Ret1_NEG1.raw
SUBJECT_SAMPLE_FACTORS           	-	CX_12dpi_Ret1_NEG2	Sample source:Retina | Treatment:Crush	RAW_FILE_NAME=CX_12dpi_Ret1_NEG2.raw
SUBJECT_SAMPLE_FACTORS           	-	CX_12dpi_Ret1_NEG3	Sample source:Retina | Treatment:Crush	RAW_FILE_NAME=CX_12dpi_Ret1_NEG3.raw
SUBJECT_SAMPLE_FACTORS           	-	CX_12dpi_Ret2_POS1	Sample source:Retina | Treatment:Crush	RAW_FILE_NAME=CX_12dpi_Ret2_POS1.raw
SUBJECT_SAMPLE_FACTORS           	-	CX_12dpi_Ret2_POS2	Sample source:Retina | Treatment:Crush	RAW_FILE_NAME=CX_12dpi_Ret2_POS2.raw
SUBJECT_SAMPLE_FACTORS           	-	CX_12dpi_Ret2_POS3	Sample source:Retina | Treatment:Crush	RAW_FILE_NAME=CX_12dpi_Ret2_POS3.raw
SUBJECT_SAMPLE_FACTORS           	-	CX_12dpi_Ret2_NEG1	Sample source:Retina | Treatment:Crush	RAW_FILE_NAME=CX_12dpi_Ret2_NEG1.raw
SUBJECT_SAMPLE_FACTORS           	-	CX_12dpi_Ret2_NEG2	Sample source:Retina | Treatment:Crush	RAW_FILE_NAME=CX_12dpi_Ret2_NEG2.raw
SUBJECT_SAMPLE_FACTORS           	-	CX_12dpi_Ret2_NEG3	Sample source:Retina | Treatment:Crush	RAW_FILE_NAME=CX_12dpi_Ret2_NEG3.raw
SUBJECT_SAMPLE_FACTORS           	-	CX_27dpi_Ret1_POS1	Sample source:Retina | Treatment:Crush	RAW_FILE_NAME=CX_27dpi_Ret1_POS1.raw
SUBJECT_SAMPLE_FACTORS           	-	CX_27dpi_Ret1_POS2	Sample source:Retina | Treatment:Crush	RAW_FILE_NAME=CX_27dpi_Ret1_POS2.raw
SUBJECT_SAMPLE_FACTORS           	-	CX_27dpi_Ret1_POS3	Sample source:Retina | Treatment:Crush	RAW_FILE_NAME=CX_27dpi_Ret1_POS3.raw
SUBJECT_SAMPLE_FACTORS           	-	CX_27dpi_Ret1_NEG1	Sample source:Retina | Treatment:Crush	RAW_FILE_NAME=CX_27dpi_Ret1_NEG1.raw
SUBJECT_SAMPLE_FACTORS           	-	CX_27dpi_Ret1_NEG2	Sample source:Retina | Treatment:Crush	RAW_FILE_NAME=CX_27dpi_Ret1_NEG2.raw
SUBJECT_SAMPLE_FACTORS           	-	CX_27dpi_Ret1_NEG3	Sample source:Retina | Treatment:Crush	RAW_FILE_NAME=CX_27dpi_Ret1_NEG3.raw
SUBJECT_SAMPLE_FACTORS           	-	CX_27dpi_Ret2_POS1	Sample source:Retina | Treatment:Crush	RAW_FILE_NAME=CX_27dpi_Ret2_POS1.raw
SUBJECT_SAMPLE_FACTORS           	-	CX_27dpi_Ret2_POS2	Sample source:Retina | Treatment:Crush	RAW_FILE_NAME=CX_27dpi_Ret2_POS2.raw
SUBJECT_SAMPLE_FACTORS           	-	CX_27dpi_Ret2_POS3	Sample source:Retina | Treatment:Crush	RAW_FILE_NAME=CX_27dpi_Ret2_POS3.raw
SUBJECT_SAMPLE_FACTORS           	-	CX_27dpi_Ret2_NEG1	Sample source:Retina | Treatment:Crush	RAW_FILE_NAME=CX_27dpi_Ret2_NEG1.raw
SUBJECT_SAMPLE_FACTORS           	-	CX_27dpi_Ret2_NEG2	Sample source:Retina | Treatment:Crush	RAW_FILE_NAME=CX_27dpi_Ret2_NEG2.raw
SUBJECT_SAMPLE_FACTORS           	-	CX_27dpi_Ret2_NEG3	Sample source:Retina | Treatment:Crush	RAW_FILE_NAME=CX_27dpi_Ret2_NEG3.raw
SUBJECT_SAMPLE_FACTORS           	-	CX_27dpi_Ret3_POS1	Sample source:Retina | Treatment:Crush	RAW_FILE_NAME=CX_27dpi_Ret3_POS1.raw
SUBJECT_SAMPLE_FACTORS           	-	CX_27dpi_Ret3_POS2	Sample source:Retina | Treatment:Crush	RAW_FILE_NAME=CX_27dpi_Ret3_POS2.raw
SUBJECT_SAMPLE_FACTORS           	-	CX_27dpi_Ret3_POS3	Sample source:Retina | Treatment:Crush	RAW_FILE_NAME=CX_27dpi_Ret3_POS3.raw
SUBJECT_SAMPLE_FACTORS           	-	CX_27dpi_Ret3_NEG1	Sample source:Retina | Treatment:Crush	RAW_FILE_NAME=CX_27dpi_Ret3_NEG1.raw
SUBJECT_SAMPLE_FACTORS           	-	CX_27dpi_Ret3_NEG2	Sample source:Retina | Treatment:Crush	RAW_FILE_NAME=CX_27dpi_Ret3_NEG2.raw
SUBJECT_SAMPLE_FACTORS           	-	CX_27dpi_Ret3_NEG3	Sample source:Retina | Treatment:Crush	RAW_FILE_NAME=CX_27dpi_Ret3_NEG3.raw
SUBJECT_SAMPLE_FACTORS           	-	Left_Ret_SHAM1_POS1	Sample source:Retina | Treatment:Sham	RAW_FILE_NAME=Left_Ret_SHAM1_POS1.raw
SUBJECT_SAMPLE_FACTORS           	-	Left_Ret_SHAM1_POS2	Sample source:Retina | Treatment:Sham	RAW_FILE_NAME=Left_Ret_SHAM1_POS2.raw
SUBJECT_SAMPLE_FACTORS           	-	Left_Ret_SHAM1_POS3	Sample source:Retina | Treatment:Sham	RAW_FILE_NAME=Left_Ret_SHAM1_POS3.raw
SUBJECT_SAMPLE_FACTORS           	-	Left_Ret_SHAM1_NEG1	Sample source:Retina | Treatment:Sham	RAW_FILE_NAME=Left_Ret_SHAM1_NEG1.raw
SUBJECT_SAMPLE_FACTORS           	-	Left_Ret_SHAM1_NEG2	Sample source:Retina | Treatment:Sham	RAW_FILE_NAME=Left_Ret_SHAM1_NEG2.raw
SUBJECT_SAMPLE_FACTORS           	-	Left_Ret_SHAM1_NEG3	Sample source:Retina | Treatment:Sham	RAW_FILE_NAME=Left_Ret_SHAM1_NEG3.raw
SUBJECT_SAMPLE_FACTORS           	-	Left_Ret_SHAM2_POS1	Sample source:Retina | Treatment:Sham	RAW_FILE_NAME=Left_Ret_SHAM2_POS1.raw
SUBJECT_SAMPLE_FACTORS           	-	Left_Ret_SHAM2_POS2	Sample source:Retina | Treatment:Sham	RAW_FILE_NAME=Left_Ret_SHAM2_POS2.raw
SUBJECT_SAMPLE_FACTORS           	-	Left_Ret_SHAM2_POS3	Sample source:Retina | Treatment:Sham	RAW_FILE_NAME=Left_Ret_SHAM2_POS3.raw
SUBJECT_SAMPLE_FACTORS           	-	Left_Ret_SHAM2_NEG1	Sample source:Retina | Treatment:Sham	RAW_FILE_NAME=Left_Ret_SHAM2_NEG1.raw
SUBJECT_SAMPLE_FACTORS           	-	Left_Ret_SHAM2_NEG2	Sample source:Retina | Treatment:Sham	RAW_FILE_NAME=Left_Ret_SHAM2_NEG2.raw
SUBJECT_SAMPLE_FACTORS           	-	Left_Ret_SHAM2_NEG3	Sample source:Retina | Treatment:Sham	RAW_FILE_NAME=Left_Ret_SHAM2_NEG3.raw
SUBJECT_SAMPLE_FACTORS           	-	Pooled_QC1_MS1_Ret_POS1	Sample source:Retina | Treatment:QC	RAW_FILE_NAME=Pooled_QC1_MS1_Ret_POS1.raw
SUBJECT_SAMPLE_FACTORS           	-	Pooled_QC1_MS1_Ret_POS2	Sample source:Retina | Treatment:QC	RAW_FILE_NAME=Pooled_QC1_MS1_Ret_POS2.raw
SUBJECT_SAMPLE_FACTORS           	-	Pooled_QC1_MS1_Ret_NEG1	Sample source:Retina | Treatment:QC	RAW_FILE_NAME=Pooled_QC1_MS1_Ret_NEG1.raw
SUBJECT_SAMPLE_FACTORS           	-	Pooled_QC1_MS1_Ret_NEG2	Sample source:Retina | Treatment:QC	RAW_FILE_NAME=Pooled_QC1_MS1_Ret_NEG2.raw
SUBJECT_SAMPLE_FACTORS           	-	Pooled_QC2_MS1_Ret_POS1	Sample source:Retina | Treatment:QC	RAW_FILE_NAME=Pooled_QC2_MS1_Ret_POS1.raw
SUBJECT_SAMPLE_FACTORS           	-	Pooled_QC2_MS1_Ret_POS2	Sample source:Retina | Treatment:QC	RAW_FILE_NAME=Pooled_QC2_MS1_Ret_POS2.raw
SUBJECT_SAMPLE_FACTORS           	-	Pooled_QC2_MS1_Ret_NEG1	Sample source:Retina | Treatment:QC	RAW_FILE_NAME=Pooled_QC2_MS1_Ret_NEG1.raw
SUBJECT_SAMPLE_FACTORS           	-	Pooled_QC2_MS1_Ret_NEG2	Sample source:Retina | Treatment:QC	RAW_FILE_NAME=Pooled_QC2_MS1_Ret_NEG2.raw
SUBJECT_SAMPLE_FACTORS           	-	Right_Ret_SHAM1_POS1	Sample source:Retina | Treatment:Sham	RAW_FILE_NAME=Right_Ret_SHAM1_POS1.raw
SUBJECT_SAMPLE_FACTORS           	-	Right_Ret_SHAM1_POS2	Sample source:Retina | Treatment:Sham	RAW_FILE_NAME=Right_Ret_SHAM1_POS2.raw
SUBJECT_SAMPLE_FACTORS           	-	Right_Ret_SHAM1_POS3	Sample source:Retina | Treatment:Sham	RAW_FILE_NAME=Right_Ret_SHAM1_POS3.raw
SUBJECT_SAMPLE_FACTORS           	-	Right_Ret_SHAM1_NEG1	Sample source:Retina | Treatment:Sham	RAW_FILE_NAME=Right_Ret_SHAM1_NEG1.raw
SUBJECT_SAMPLE_FACTORS           	-	Right_Ret_SHAM1_NEG2	Sample source:Retina | Treatment:Sham	RAW_FILE_NAME=Right_Ret_SHAM1_NEG2.raw
SUBJECT_SAMPLE_FACTORS           	-	Right_Ret_SHAM1_NEG3	Sample source:Retina | Treatment:Sham	RAW_FILE_NAME=Right_Ret_SHAM1_NEG3.raw
SUBJECT_SAMPLE_FACTORS           	-	Right_Ret_SHAM2_POS1	Sample source:Retina | Treatment:Sham	RAW_FILE_NAME=Right_Ret_SHAM2_POS1.raw
SUBJECT_SAMPLE_FACTORS           	-	Right_Ret_SHAM2_POS2	Sample source:Retina | Treatment:Sham	RAW_FILE_NAME=Right_Ret_SHAM2_POS2.raw
SUBJECT_SAMPLE_FACTORS           	-	Right_Ret_SHAM2_POS3	Sample source:Retina | Treatment:Sham	RAW_FILE_NAME=Right_Ret_SHAM2_POS3.raw
SUBJECT_SAMPLE_FACTORS           	-	Right_Ret_SHAM2_NEG1	Sample source:Retina | Treatment:Sham	RAW_FILE_NAME=Right_Ret_SHAM2_NEG1.raw
SUBJECT_SAMPLE_FACTORS           	-	Right_Ret_SHAM2_NEG2	Sample source:Retina | Treatment:Sham	RAW_FILE_NAME=Right_Ret_SHAM2_NEG2.raw
SUBJECT_SAMPLE_FACTORS           	-	Right_Ret_SHAM2_NEG3	Sample source:Retina | Treatment:Sham	RAW_FILE_NAME=Right_Ret_SHAM2_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 retinas 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 retinas 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            	Retina 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 and held
CH:FLOW_GRADIENT                 	for 5 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_Ret1_NEG1	CTL_12dpi_Ret1_NEG2	CTL_12dpi_Ret1_NEG3	CTL_12dpi_Ret2_NEG1	CTL_12dpi_Ret2_NEG2	CTL_12dpi_Ret2_NEG3	CTL_27dpi_Ret1_NEG1	CTL_27dpi_Ret1_NEG2	CTL_27dpi_Ret1_NEG3	CTL_27dpi_Ret2_NEG1	CTL_27dpi_Ret2_NEG2	CTL_27dpi_Ret2_NEG3	CTL_27dpi_Ret3_NEG1	CTL_27dpi_Ret3_NEG2	CTL_27dpi_Ret3_NEG3	CX_12dpi_Ret1_NEG1	CX_12dpi_Ret1_NEG2	CX_12dpi_Ret1_NEG3	CX_12dpi_Ret2_NEG1	CX_12dpi_Ret2_NEG2	CX_12dpi_Ret2_NEG3	CX_27dpi_Ret1_NEG1	CX_27dpi_Ret1_NEG2	CX_27dpi_Ret1_NEG3	CX_27dpi_Ret2_NEG1	CX_27dpi_Ret2_NEG2	CX_27dpi_Ret2_NEG3	CX_27dpi_Ret3_NEG1	CX_27dpi_Ret3_NEG2	CX_27dpi_Ret3_NEG3	Left_Ret_SHAM1_NEG1	Left_Ret_SHAM1_NEG2	Left_Ret_SHAM1_NEG3	Left_Ret_SHAM2_NEG1	Left_Ret_SHAM2_NEG2	Left_Ret_SHAM2_NEG3	Pooled_QC1_MS1_Ret_NEG1	Pooled_QC1_MS1_Ret_NEG2	Pooled_QC2_MS1_Ret_NEG1	Pooled_QC2_MS1_Ret_NEG2	Right_Ret_SHAM1_NEG1	Right_Ret_SHAM1_NEG2	Right_Ret_SHAM1_NEG3	Right_Ret_SHAM2_NEG1	Right_Ret_SHAM2_NEG2	Right_Ret_SHAM2_NEG3	Blank_NEG1	Blank_NEG2	Blank_NEG3
Factors	Sample source:Retina | Treatment:Control	Sample source:Retina | Treatment:Control	Sample source:Retina | Treatment:Control	Sample source:Retina | Treatment:Control	Sample source:Retina | Treatment:Control	Sample source:Retina | Treatment:Control	Sample source:Retina | Treatment:Control	Sample source:Retina | Treatment:Control	Sample source:Retina | Treatment:Control	Sample source:Retina | Treatment:Control	Sample source:Retina | Treatment:Control	Sample source:Retina | Treatment:Control	Sample source:Retina | Treatment:Control	Sample source:Retina | Treatment:Control	Sample source:Retina | Treatment:Control	Sample source:Retina | Treatment:Crush	Sample source:Retina | Treatment:Crush	Sample source:Retina | Treatment:Crush	Sample source:Retina | Treatment:Crush	Sample source:Retina | Treatment:Crush	Sample source:Retina | Treatment:Crush	Sample source:Retina | Treatment:Crush	Sample source:Retina | Treatment:Crush	Sample source:Retina | Treatment:Crush	Sample source:Retina | Treatment:Crush	Sample source:Retina | Treatment:Crush	Sample source:Retina | Treatment:Crush	Sample source:Retina | Treatment:Crush	Sample source:Retina | Treatment:Crush	Sample source:Retina | Treatment:Crush	Sample source:Retina | Treatment:Sham	Sample source:Retina | Treatment:Sham	Sample source:Retina | Treatment:Sham	Sample source:Retina | Treatment:Sham	Sample source:Retina | Treatment:Sham	Sample source:Retina | Treatment:Sham	Sample source:Retina | Treatment:QC	Sample source:Retina | Treatment:QC	Sample source:Retina | Treatment:QC	Sample source:Retina | Treatment:QC	Sample source:Retina | Treatment:Sham	Sample source:Retina | Treatment:Sham	Sample source:Retina | Treatment:Sham	Sample source:Retina | Treatment:Sham	Sample source:Retina | Treatment:Sham	Sample source:Retina | Treatment:Sham	Sample source:NA | Treatment:Extraction Blank	Sample source:NA | Treatment:Extraction Blank	Sample source:NA | Treatment:Extraction Blank
1D-chiro-inositol	344113.5112	350063.8669	76481.07157	503860.3164	944642.42	107898.89	1103855.509	866944.4741	126110.2717	4463963.831	363922.878	129313.0671	1116546.267	860557.4147	85433.0998	13023240.54	9505068.565	42162.77042	265778.8126	909678.9273	230385.7134	691777.5572	456534.6693	207359.4799	1017963.581	2991595.804	95534.42919	854510.4121	202529.8813	423177.9603	5049462.044	5797362.55	182087.7465	2407975.552	1064690.358	319901.3992	508184.4805	731215.8574	1740700.694	484288.0421	715450.9	274144.9418	56709.60583	14360355.45	6965738.187	96965.70348	5280.621425	4343.541199	4117.063688
1-Methoxypyrene	342234.984	291986.9507	51603.56663	280068.4745	1099729.644	72972.31964	2220952.596	1864324.782	95118.75496	918246.3115	582172.9138	104473.6903	9757404.926	8701445.509	60638.63011	4565430.876	4664495.618	5136.742653	178905.2156	146860.2903	369943.7345	2171952.733	2475302.222	154439.5606	574157.1993	963531.7872	62337.80493	2622464.112	1859480.157	21317.17601	418869.0042	676080.5123	124625.0729	558672.0352	618918.427	237160.6029	698487.658	640676.043	1257008.481	606691.5415	641650.8731	242981.1759	40211.93505	583579.5249	4055021.13	67366.43047	2721.907268	2099.869871	1721.426061
Allopurinol	106979162.6	85826505.6	497658.0757	115558005.5	39844400.01	513535.2828	47023809.02	67220023.46	371120.4119	15196883.4	131511037.5	535144.662	240043.8744	1034647.685	584731.9231	175623374.2	633540760.4	91294.89771	72615466.07	54578511.83	59367935.96	9090756.057	8187853.662	708287.0203	32101837.32	90374513.87	665830.2494	30798419.94	23492695.42	118973.8997	117018656	161631861.4	461555.7906	65595518.29	205280766	732462.6988	79289265.49	34055329.43	107048453	17552112.41	181827883.1	13279706.17	371304.3491	463723661.5	3789276.275	716374.7802	338795.6322	31038.62356	17904.51949
Didanosine	237680696.4	240619797.8	198191625.1	239344882.5	180430718.4	205684138.7	166211649.7	327096834.4	227880055.3	142994474	291656081.1	591522021.9	65915492.36	38187881.34	158923434.2	20170922.77	25889538.82	28031271.13	153811618.9	100054094	244130256.7	490047328.9	629571875.3	163308801.4	218088551.6	316121687.2	321946589.7	254523278	561947662.6	108807844.3	180569679.1	444414799.2	244573635.9	133309851.7	279725161.6	32094801.91	131887458.3	164581876.2	208534120.7	897684692.3	354589075.7	92288659.76	221466681.7	26593958.83	49168174.26	223816793.8	5567688.299	5011470.511	7685318.06
Imafen	40911825.76	16786048.57	40978477.8	8817005.703	7739301.295	5504404.127	10902977.18	11163099.31	7852781.964	1394259.134	2693111.235	882856.4165	1854276.444	258873.3433	3920534.226	361999.0938	651719.9301	233605.1557	4975983.845	2091898.575	4935317.62	1972791.598	12200514.5	1401077.587	4498701.964	1735290.129	37031553.01	10169038.3	2143902.167	3355968.882	12572146.79	4638215.921	9168636.162	4064958.224	11587515.48	74971.20497	1615006.447	4521303.024	1335566.728	5876436.202	15890140.76	5694636.158	2860706.285	253550.557	213303.8693	5388945.645	178542.8941	166706.4194	177742.2248
indanazoline	30857476.24	21524704.89	29770156.71	6763243.228	7325613.946	5647576.162	10299671.02	9189276.151	5137373.63	1883586.641	10819175.49	1553050.799	2891121.376	247149.8965	3183882.549	5512670.6	4677307.301	177340.2177	4248203.406	1931015.749	3390135.338	9507060.474	1285354.123	1233927.895	31159950.58	3187257.395	33632656.39	1870968.902	4226954.876	852081.2754	1965075.171	2823062.639	7566876.365	3153339.422	3129681.855	176794.4704	1982509.421	3586195.255	2191796.191	5538879.806	5526723.428	4829582.376	2187569.556	212725.5458	266952.5075	3877636.906	934284.7177	224134.7634	199772.0992
meglumine	1112208.689	1580422.135	250375.7924	1782464.699	2088341.514	296801.1216	459874.2094	630929.0634	189388.3962	661462.8177	1601396.827	228447.6132	1134931.01	1330245.296	624655.5275	36458983.1	42832649.62	469982.5845	2239346.34	4696683.575	1103617.535	1298542.055	1058795.85	267487.3779	1055660.865	1214384.336	350352.5974	802025.6382	451752.7357	1217513.829	324390.2951	689047.6221	240665.5728	28114525.95	837849.009	409483.6212	4386065.138	2696044.363	6652741.931	2753489.067	1463060.175	2165853.117	858928.247	41869570.11	67405654.42	362583.336	6347.613242	8711.182979	11813.86497
Myristyl sulfate	370863.3171	560154.6876	126853.6011	906202.8047	232604.9288	163913.6784	272282.3894	270928.6472	161686.4886	659140.162	450912.0617	155328.8969	10753.40283	21441.47785	115183.29	1553720.24	1438758.341	39070.20051	175695.8627	185664.2908	252878.2247	356932.4545	323488.8405	222738.5173	645016.5502	527023.2994	100274.5614	279133.1583	162620.1881	76550.11384	304931.2688	938241.9167	186950.5278	302110.6719	509426.2471	14337.60712	677579.7625	355596.9688	2834295.124	416859.8382	636912.2193	1153239.956	95375.16974	67325.84859	42791.52812	118031.9124	160172.6872	18052.87722	4628.04738
NP-012534	3361693.778	1727419.147	431740.5988	39297843.93	7350343.554	554476.8625	3150530.395	2418076.428	349707.1915	7282663.405	11088899.79	332858.5152	44353.15789	335447.8671	460971.0276	18887778.03	20846178.38	130768.5457	15458310.95	14017858.57	8720637.439	7019430.737	912968.1511	317554.3954	23409984.53	12146747.77	3523794.724	2380689.958	1577755.926	675102.5925	12136243.63	33822508.38	2138969.463	6791770.59	20179089.62	58887.35947	35121390.79	8405992.219	46058304.93	14034588.46	15121125.02	10004299.89	229775.6703	957477.2897	58819.35645	698519.0613	2645739.372	293404.3072	280505.171
tolonidine	25650032.68	35575696.9	21910267	53736246.47	61936770.82	39075765.25	116112396.8	32092967.51	61820752.24	124885843.3	81009174.25	70499623.77	27392208.99	2357081.968	34780726.4	10647255.79	7261304.264	2639709.063	37077704.17	20116294.15	35252663.66	105659805.5	117519529.5	79749671.39	115289788.3	112704103.5	162725738.7	122322793.1	69244092.7	13680296.5	210330887.8	100333594	78471732.04	35765085.03	346625313.2	1885902.18	15384121.79	43791919.59	19363537.93	49554192.99	172318466.7	60059194.68	28478301.05	2584278.114	2895690.414	53295116.69	1325416.667	1181107.548	1141484.235
tramazoline	76478301.79	61873468.88	53540700.72	26762972.32	20698511.98	25088691.2	13978832.51	13728044.34	26130670.28	12264989.5	4407470.577	2633084.302	35237795.03	30348679.61	43159754.15	23272607.56	23811941.49	17433964.01	29660696.84	48293921.77	32917704.82	7640266.395	15067424.53	11102379.77	45151149.14	15642788.12	49885313.15	7237259.128	14322771.06	67534837.12	12403880.97	3130914.524	11206554.8	53695152.56	12433425.42	6546854.065	40131201.56	100671783.5	47510661.06	53909931.46	16089384.53	36314382.18	26616522.93	32691290.45	43859839.12	32684755.38	1821385.244	2622704.759	2769813.344
Xanthine	26892605.52	8203759.383	35791.18769	13828745.49	12344745.91	54456.55618	10189405	2434511.3	66591.61886	20415095.72	6541469.162	92282.20532	52729.97538	80784.27813	77910.00099	47577677.11	23321513.89	122868.1749	2947729.934	1974196.064	1059146.997	2473756.916	1611217.042	69905.47067	7523946.294	18273202.34	76409.12052	3117904.791	4331749.59	19615.99183	34910867.31	18725985.41	57073.41554	8301958.387	22409351.89	87195.97223	6877491.954	12600867.04	9284921.017	10444568.27	26529321.96	1401660.759	105196.9752	6907789.033	4083400.275	227264.532	45092.30591	23856.65493	2802.428855
Zonisamide	449797.8011	532139.5273	156739.3672	11787953.64	9975147.705	219339.8851	518797.9502	734242.0763	176150.5014	1057094.466	2657531.273	173423.0857	86225.7731	18904.51868	142319.6175	1433901.295	322328.3309	34850.71804	391592.7863	108508.4418	515129.1626	595782.9175	399700.4084	279825.5449	3415770.047	825336.5147	188315.274	344894.857	233329.5093	94584.75206	408193.4518	1864092.106	230994.6835	971246.5075	1012331.294	23142.71051	1409179.657	1093024.438	5114767.456	2878956.898	876056.3818	949427.0674	144064.157	905254.0964	240062.6807	162363.212	197908.1826	6822.0159	5463.934664
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name	Calc. MW	m/z	RT [min]
1D-chiro-inositol	180.063045	202.058515	5.444
1-Methoxypyrene	232.08886	231.08158	5.684
Allopurinol	136.03749	135.03014	2.696
Didanosine	236.090874	235.083598	5.4368
Imafen	187.110475	186.103135	12.4355
indanazoline	201.126225	200.118865	13.516
meglumine	195.11012	194.10284	4.527
Myristyl sulfate	294.18685	293.17958	0.948
NP-012534	266.15537	265.14809	0.954
tolonidine	209.07151	208.06424	13.735
tramazoline	215.1420833	214.1347	9.996
Xanthine	152.03273	151.02546	3.48
Zonisamide	212.02521	211.01794	0.917
METABOLITES_END
#END