#METABOLOMICS WORKBENCH sbhattacharya_20200309_125558 DATATRACK_ID:1938 STUDY_ID:ST001327 ANALYSIS_ID:AN002209
VERSION                          	1
CREATED_ON                       	02-08-2024
#PROJECT
PR:PROJECT_TITLE                 	Mitochondrial Lipid Profiles in Traumatic Optic Neuropathy
PR:PROJECT_SUMMARY               	C57Bl/6J Mice were exposed to sonication to induce a traumatic optic neuropathy
PR:PROJECT_SUMMARY               	model. Optic nerves were harvested and mitochondrial isolation was performed.
PR:PROJECT_SUMMARY               	Lipids were then extracted from isolated mitochondria. Mass spectrometry was
PR:PROJECT_SUMMARY               	used to analyze mitochondrial lipids.
PR:INSTITUTE                     	University of Miami
PR:DEPARTMENT                    	Bascom Palmer Eye Institute
PR:LAST_NAME                     	Bhattacharya
PR:FIRST_NAME                    	Sanjoy K
PR:ADDRESS                       	1638 NW 10th Avenue, Suite 707A University of Miami Miami, FL, 33136
PR:EMAIL                         	SBhattacharya@med.miami.edu
PR:PHONE                         	305-482-4103
PR:DOI                           	http://dx.doi.org/10.21228/M8Q69W
#STUDY
ST:STUDY_TITLE                   	Mitochondrial Lipid Profiles in Traumatic Optic Neuropathy
ST:STUDY_SUMMARY                 	C57Bl/6J Mice were exposed to sonication to induce a traumatic optic neuropathy
ST:STUDY_SUMMARY                 	model. Optic nerves were harvested and mitochondrial isolation was performed.
ST:STUDY_SUMMARY                 	Lipids were then extracted from isolated mitochondria. Mass spectrometry was
ST:STUDY_SUMMARY                 	used to analyze mitochondrial lipids.
ST:INSTITUTE                     	University of Miami
ST:DEPARTMENT                    	Ophthalmology, Bascom Palmer Eye Institute
ST:LAST_NAME                     	Bhattacharya
ST:FIRST_NAME                    	Sanjoy K
ST:ADDRESS                       	1638 NW 10th Avenue, Suite 707A University of Miami Miami, FL, 33136
ST:EMAIL                         	SBhattacharya@med.miami.edu
ST:PHONE                         	305-482-4103
ST:SUBMIT_DATE                   	2020-03-09
#SUBJECT
SU:SUBJECT_TYPE                  	Mammal
SU:SUBJECT_SPECIES               	Mus musculus
SU:TAXONOMY_ID                   	10090
SU:GENOTYPE_STRAIN               	C57BL/6J
SU:AGE_OR_AGE_RANGE              	2 Months
SU:GENDER                        	Male and female
#SUBJECT_SAMPLE_FACTORS:         	SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data
SUBJECT_SAMPLE_FACTORS           	-	C5	Exposure:No Exposure | Days Post Exposure:Control | Sex:F	RAW_FILE_NAME=5_neg 5_neg2 5_Pos 5_Pos2
SUBJECT_SAMPLE_FACTORS           	-	C6	Exposure:No Exposure | Days Post Exposure:Control | Sex:F	RAW_FILE_NAME=6_neg 6_neg2 6_Pos 6_Pos2
SUBJECT_SAMPLE_FACTORS           	-	C7	Exposure:No Exposure | Days Post Exposure:Control | Sex:F	RAW_FILE_NAME=7_neg 7_neg2 7_Pos 7_Pos2
SUBJECT_SAMPLE_FACTORS           	-	C8	Exposure:No Exposure | Days Post Exposure:Control | Sex:F	RAW_FILE_NAME=8_neg 8_neg2 8_Pos 8_Pos2
SUBJECT_SAMPLE_FACTORS           	-	C1	Exposure:No Exposure | Days Post Exposure:Control | Sex:M	RAW_FILE_NAME=1_neg 1_neg2 1_Pos 1_Pos2
SUBJECT_SAMPLE_FACTORS           	-	C2	Exposure:No Exposure | Days Post Exposure:Control | Sex:M	RAW_FILE_NAME=2_neg 2_neg2 2_Pos 2_Pos2
SUBJECT_SAMPLE_FACTORS           	-	C3	Exposure:No Exposure | Days Post Exposure:Control | Sex:M	RAW_FILE_NAME=3_neg 3_neg2 3_Pos 3_Pos2
SUBJECT_SAMPLE_FACTORS           	-	C4	Exposure:No Exposure | Days Post Exposure:Control | Sex:M	RAW_FILE_NAME=4_neg 4_neg2 4_Pos 4_Pos2
SUBJECT_SAMPLE_FACTORS           	-	D14_1	Exposure:Sonication | Days Post Exposure:Day Fourteen | Sex:F	RAW_FILE_NAME=25_neg 25_neg2 25_Pos 25_Pos2
SUBJECT_SAMPLE_FACTORS           	-	D14_2	Exposure:Sonication | Days Post Exposure:Day Fourteen | Sex:F	RAW_FILE_NAME=26_neg 26_neg2 26_Pos 26_Pos2
SUBJECT_SAMPLE_FACTORS           	-	D14_3	Exposure:Sonication | Days Post Exposure:Day Fourteen | Sex:F	RAW_FILE_NAME=27_neg 27_neg2 27_Pos 27_Pos_20191217115221
SUBJECT_SAMPLE_FACTORS           	-	D14_4	Exposure:Sonication | Days Post Exposure:Day Fourteen | Sex:F	RAW_FILE_NAME=28_neg 28_neg2 28_Pos 28_Pos2
SUBJECT_SAMPLE_FACTORS           	-	D14_5	Exposure:Sonication | Days Post Exposure:Day Fourteen | Sex:M	RAW_FILE_NAME=29_neg 29_neg2 29_Pos 29_Pos2
SUBJECT_SAMPLE_FACTORS           	-	D14_6	Exposure:Sonication | Days Post Exposure:Day Fourteen | Sex:M	RAW_FILE_NAME=30_neg 30_neg2 30_Pos 30_Pos2
SUBJECT_SAMPLE_FACTORS           	-	D14_7	Exposure:Sonication | Days Post Exposure:Day Fourteen | Sex:M	RAW_FILE_NAME=31_neg 31_neg2 31_Pos 31_Pos2
SUBJECT_SAMPLE_FACTORS           	-	D14_8	Exposure:Sonication | Days Post Exposure:Day Fourteen | Sex:M	RAW_FILE_NAME=32_neg 32_neg2 32_Pos 32_Pos2
SUBJECT_SAMPLE_FACTORS           	-	D1_5	Exposure:Sonication | Days Post Exposure:Day One | Sex:F	RAW_FILE_NAME=13_neg 13_neg2 13_Pos 13_Pos2
SUBJECT_SAMPLE_FACTORS           	-	D1_6	Exposure:Sonication | Days Post Exposure:Day One | Sex:F	RAW_FILE_NAME=14_neg 14_neg2 14_Pos 14_Pos2
SUBJECT_SAMPLE_FACTORS           	-	D1_7	Exposure:Sonication | Days Post Exposure:Day One | Sex:F	RAW_FILE_NAME=15_neg 15_neg2 15_Pos 15_Pos2
SUBJECT_SAMPLE_FACTORS           	-	D1_8	Exposure:Sonication | Days Post Exposure:Day One | Sex:F	RAW_FILE_NAME=16_neg 16_neg2 16_Pos 16_Pos2
SUBJECT_SAMPLE_FACTORS           	-	D1_1	Exposure:Sonication | Days Post Exposure:Day One | Sex:M	RAW_FILE_NAME=9_neg 9_neg2 9_Pos 9_Pos2
SUBJECT_SAMPLE_FACTORS           	-	D1_2	Exposure:Sonication | Days Post Exposure:Day One | Sex:M	RAW_FILE_NAME=10_neg 10_neg2 10_Pos 10_Pos2
SUBJECT_SAMPLE_FACTORS           	-	D1_3	Exposure:Sonication | Days Post Exposure:Day One | Sex:M	RAW_FILE_NAME=11_neg 11_neg2 11_Pos 11_Pos2
SUBJECT_SAMPLE_FACTORS           	-	D1_4	Exposure:Sonication | Days Post Exposure:Day One | Sex:M	RAW_FILE_NAME=12_neg 12_neg2 12_Pos 12_Pos2
SUBJECT_SAMPLE_FACTORS           	-	D7_1	Exposure:Sonication | Days Post Exposure:Day Seven | Sex:F	RAW_FILE_NAME=17_neg 17_neg2 17_Pos 17_Pos2
SUBJECT_SAMPLE_FACTORS           	-	D7_2	Exposure:Sonication | Days Post Exposure:Day Seven | Sex:F	RAW_FILE_NAME=18_neg 18_neg2 18_Pos 18_Pos2
SUBJECT_SAMPLE_FACTORS           	-	D7_3	Exposure:Sonication | Days Post Exposure:Day Seven | Sex:F	RAW_FILE_NAME=19_neg 19_neg2 19_Pos 19_Pos2
SUBJECT_SAMPLE_FACTORS           	-	D7_4	Exposure:Sonication | Days Post Exposure:Day Seven | Sex:F	RAW_FILE_NAME=20_neg 20_neg2 20_Pos 20_Pos2
SUBJECT_SAMPLE_FACTORS           	-	D7_5	Exposure:Sonication | Days Post Exposure:Day Seven | Sex:M	RAW_FILE_NAME=21_neg 21_neg2 21_Pos 21_Pos2
SUBJECT_SAMPLE_FACTORS           	-	D7_6	Exposure:Sonication | Days Post Exposure:Day Seven | Sex:M	RAW_FILE_NAME=22_neg 22_neg2 22_Pos 22_Pos2
SUBJECT_SAMPLE_FACTORS           	-	D7_7	Exposure:Sonication | Days Post Exposure:Day Seven | Sex:M	RAW_FILE_NAME=23_neg 23_neg2 23_Pos 23_Pos2
SUBJECT_SAMPLE_FACTORS           	-	D7_8	Exposure:Sonication | Days Post Exposure:Day Seven | Sex:M	RAW_FILE_NAME=24_neg 24_neg2 24_Pos 24_Pos2
#COLLECTION
CO:COLLECTION_SUMMARY            	2 month old mice were exposed to sonication-induced trauma. Optic nerves were
CO:COLLECTION_SUMMARY            	dissected from optic nerve head to optic chiasm.
CO:SAMPLE_TYPE                   	Neurons
#TREATMENT
TR:TREATMENT_SUMMARY             	4 groups of 8 mice, 4 males and 4 females per group. Control group was
TR:TREATMENT_SUMMARY             	euthanized at 2 months. Other three groups were exposed to sonication to induce
TR:TREATMENT_SUMMARY             	traumatic optic neuropathy. Then groups were euthanized at one day, seven days,
TR:TREATMENT_SUMMARY             	and fourteen days, respectively.
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	Samples were homogenized and mitochondria were isolated. Lipids were extracted
SP:SAMPLEPREP_SUMMARY            	using butanol/methanol lipid extraction and run through mass spectrometer.
#CHROMATOGRAPHY
CH:INSTRUMENT_NAME               	Thermo Accela 600
CH:COLUMN_NAME                   	Thermo Acclaim C18 (150 x 2.1mm,3m)
CH:CHROMATOGRAPHY_TYPE           	Reversed phase
#ANALYSIS
AN:ANALYSIS_TYPE                 	MS
#MS
MS:INSTRUMENT_NAME               	Thermo Q Exactive Orbitrap
MS:INSTRUMENT_TYPE               	Orbitrap
MS:MS_TYPE                       	ESI
MS:MS_COMMENTS                   	HESI operated at a spray voltage of 4.4 kV, capillary temperature of 329.60
MS:MS_COMMENTS                   	Celsius, sheath gas flow rate of 45.30, and an auxillary gas flow of 14.73. The
MS:MS_COMMENTS                   	scan range was set at 150-1500 m/z.
MS:ION_MODE                      	NEGATIVE
#MS_METABOLITE_DATA
MS_METABOLITE_DATA:UNITS         	Main area
MS_METABOLITE_DATA_START
Samples	C5	C6	C7	C8	C1	C2	C3	C4	D14_1	D14_2	D14_3	D14_4	D14_5	D14_6	D14_7	D14_8	D1_5	D1_6	D1_7	D1_8	D1_1	D1_2	D1_3	D1_4	D7_1	D7_2	D7_3	D7_4	D7_5	D7_6	D7_7	D7_8
Factors	Exposure:No Exposure | Days Post Exposure:Control | Sex:F	Exposure:No Exposure | Days Post Exposure:Control | Sex:F	Exposure:No Exposure | Days Post Exposure:Control | Sex:F	Exposure:No Exposure | Days Post Exposure:Control | Sex:F	Exposure:No Exposure | Days Post Exposure:Control | Sex:M	Exposure:No Exposure | Days Post Exposure:Control | Sex:M	Exposure:No Exposure | Days Post Exposure:Control | Sex:M	Exposure:No Exposure | Days Post Exposure:Control | Sex:M	Exposure:Sonication | Days Post Exposure:Day Fourteen | Sex:F	Exposure:Sonication | Days Post Exposure:Day Fourteen | Sex:F	Exposure:Sonication | Days Post Exposure:Day Fourteen | Sex:F	Exposure:Sonication | Days Post Exposure:Day Fourteen | Sex:F	Exposure:Sonication | Days Post Exposure:Day Fourteen | Sex:M	Exposure:Sonication | Days Post Exposure:Day Fourteen | Sex:M	Exposure:Sonication | Days Post Exposure:Day Fourteen | Sex:M	Exposure:Sonication | Days Post Exposure:Day Fourteen | Sex:M	Exposure:Sonication | Days Post Exposure:Day One | Sex:F	Exposure:Sonication | Days Post Exposure:Day One | Sex:F	Exposure:Sonication | Days Post Exposure:Day One | Sex:F	Exposure:Sonication | Days Post Exposure:Day One | Sex:F	Exposure:Sonication | Days Post Exposure:Day One | Sex:M	Exposure:Sonication | Days Post Exposure:Day One | Sex:M	Exposure:Sonication | Days Post Exposure:Day One | Sex:M	Exposure:Sonication | Days Post Exposure:Day One | Sex:M	Exposure:Sonication | Days Post Exposure:Day Seven | Sex:F	Exposure:Sonication | Days Post Exposure:Day Seven | Sex:F	Exposure:Sonication | Days Post Exposure:Day Seven | Sex:F	Exposure:Sonication | Days Post Exposure:Day Seven | Sex:F	Exposure:Sonication | Days Post Exposure:Day Seven | Sex:M	Exposure:Sonication | Days Post Exposure:Day Seven | Sex:M	Exposure:Sonication | Days Post Exposure:Day Seven | Sex:M	Exposure:Sonication | Days Post Exposure:Day Seven | Sex:M	
BisMePA(18:2p/20:1)																																
CerG1(d18:0+pO/22:1)																																
CerG1(d18:0+pO/24:1)																																
CerG1(d18:1/22:0+O)																																
CerG1(d18:1/22:1)																																
CerG1(d18:1/24:1)																																
CerG1(d18:1/24:2)																																
CerG1(d40:0+pO+O)																																
CerG1(d42:1+pO)																																
dMePE(34:2p)	126000.0000	76400.0000	179000.0000	185000.0000	124000.0000	423000.0000	209000.0000	83200.0000	183000.0000	155000.0000	162000.0000	42200.0000	27000.0000	17800.0000	141.0000	43400.0000	203000.0000	67900.0000	61800.0000	53800.0000	82600.0000	203000.0000	533000.0000	124000.0000	356000.0000	579000.0000	232000.0000	236000.0000	99600.0000	149000.0000	305000.0000	105000.0000
LPC(16:0)																																
LPC(18:0)																																
LPC(18:1)																																
LPC(18:2)																																
LPC(20:4)																																
PA(16:0/18:1)	74100.0000	63600.0000	33000.0000	34400.0000	989000.0000	447000.0000	173000.0000	106000.0000	17200.0000	16000.0000	5130.0000	2810.0000	6000.0000	2370.0000	3100.0000	4900.0000	117000.0000	73300.0000	38500.0000	12500.0000	17600.0000	56100.0000	8670.0000	15100.0000	4140.0000	57400.0000	14800.0000	10100.0000	9050.0000	9030.0000	24100.0000	31300.0000
PA(18:0/18:1)	249000.0000	171000.0000	244000.0000	57700.0000	1200000.0000	2200000.0000	570000.0000	160000.0000	129000.0000	45100.0000	56400.0000	41900.0000	51500.0000	59600.0000	63200.0000		130000.0000	260000.0000	41500.0000	76500.0000	38900.0000	77100.0000	44900.0000	159000.0000	21800.0000	74800.0000	76000.0000	16300.0000	89400.0000	17800.0000	59600.0000	134000.0000
PC(16:0/18:1)	235000.0000	162000.0000	250000.0000	336000.0000	239000.0000	722000.0000	345000.0000	167000.0000	335000.0000	284000.0000	267000.0000	61500.0000	49500.0000	93000.0000	100000.0000	84500.0000	387000.0000	98400.0000	75800.0000	108000.0000	121000.0000	381000.0000	794000.0000	232000.0000	568000.0000	745000.0000	412000.0000	364000.0000	164000.0000	244000.0000	565000.0000	264000.0000
PC(18:0/18:1)	234000.0000	147000.0000	270000.0000	301000.0000	140000.0000	879000.0000	216000.0000	150000.0000	278000.0000	274000.0000	294000.0000	86000.0000	60100.0000	101000.0000	6100.0000	1940.0000	346000.0000	111000.0000	48700.0000	78400.0000	133000.0000	318000.0000	752000.0000	220000.0000	553000.0000	751000.0000	367000.0000	308000.0000	171000.0000	219000.0000	503000.0000	196000.0000
PC(32:0)																																
PC(34:1)																																
PC(36:1)																																
PE(18:0/18:1)																																
PE(18:0p/18:1)																																
PE(18:0p/20:1)																																
PE(18:1p/18:1)																																
PEt(16:0/18:1)	249000.0000	171000.0000	244000.0000	57700.0000	1200000.0000	2200000.0000	570000.0000	160000.0000	129000.0000	45100.0000	56400.0000	41900.0000	51500.0000	59600.0000	63200.0000		130000.0000	260000.0000	41500.0000	76500.0000	38900.0000	77100.0000	44900.0000	159000.0000	21800.0000	74800.0000	76000.0000	16300.0000	89400.0000	17800.0000	59600.0000	134000.0000
PS(18:0/18:1)	350000.0000	395000.0000	354000.0000	333000.0000	1420000.0000	1010000.0000	428000.0000	348000.0000	598000.0000	536000.0000	396000.0000	426000.0000	416000.0000	912000.0000	952000.0000	745000.0000	714000.0000	335000.0000	223000.0000	181000.0000	182000.0000	430000.0000	683000.0000	413000.0000	533000.0000	890000.0000	429000.0000	363000.0000	426000.0000	362000.0000	973000.0000	305000.0000
PS(18:0/20:1)																																
SM(d42:2)																																
TG(16:0/16:0/18:1)																																
TG(16:0/18:1/18:1)																																
TG(16:0/18:1/18:2)																																
TG(18:0/16:0/18:1)																																
TG(18:1/18:1/18:1)																																
TG(18:1/18:1/18:2)																																
TG(18:1/18:2/18:2)
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name	pubchem_id	inchi_key	kegg_id	other_id	other_id_type	ri	ri_type	moverz_quant	
BisMePA(18:2p/20:1)									
CerG1(d18:0+pO/22:1)									
CerG1(d18:0+pO/24:1)									
CerG1(d18:1/22:0+O)									
CerG1(d18:1/22:1)									
CerG1(d18:1/24:1)									
CerG1(d18:1/24:2)									
CerG1(d40:0+pO+O)									
CerG1(d42:1+pO)									
dMePE(34:2p)									
LPC(16:0)									
LPC(18:0)									
LPC(18:1)									
LPC(18:2)									
LPC(20:4)									
PA(16:0/18:1)									
PA(18:0/18:1)									
PC(16:0/18:1)									
PC(18:0/18:1)									
PC(32:0)									
PC(34:1)									
PC(36:1)									
PE(18:0/18:1)									
PE(18:0p/18:1)									
PE(18:0p/20:1)									
PE(18:1p/18:1)									
PEt(16:0/18:1)									
PS(18:0/18:1)									
PS(18:0/20:1)									
SM(d42:2)									
TG(16:0/16:0/18:1)									
TG(16:0/18:1/18:1)									
TG(16:0/18:1/18:2)									
TG(18:0/16:0/18:1)									
TG(18:1/18:1/18:1)									
TG(18:1/18:1/18:2)									
TG(18:1/18:2/18:2)									
METABOLITES_END
#END