{
"METABOLOMICS WORKBENCH":{"STUDY_ID":"ST001485","ANALYSIS_ID":"AN002462","VERSION":"1","CREATED_ON":"September 15, 2020, 12:35 pm"},

"PROJECT":{"PROJECT_TITLE":"Ndufs4 KO mouse model metabolomics studies","PROJECT_TYPE":"Multi-platform metabolomics analysis","PROJECT_SUMMARY":"Multi-platform metabolomics analysis of tissues and biofluids from the Ndufs4 knockout (Ndufs4-/-) mouse model of human Leigh syndrome","INSTITUTE":"North-West University","LAST_NAME":"Louw","FIRST_NAME":"Roan","ADDRESS":"Hofman Street","EMAIL":"Roan.Louw@nwu.ac.za","PHONE":"+27 18 299 4074"},

"STUDY":{"STUDY_TITLE":"Metabolomics of Ndufs4 KO brain regions (part - V)","STUDY_SUMMARY":"Targeted LC-MS/MS analysis of amino acids and acylcarnitines in Ndufs4 KO and WT mouse cerebellum (CB)","INSTITUTE":"North-West University","LAST_NAME":"Louw","FIRST_NAME":"Roan","ADDRESS":"Hofman Street","EMAIL":"Roan.Louw@nwu.ac.za","PHONE":"+27 18 299 4074"},

"SUBJECT":{"SUBJECT_TYPE":"Mammal","SUBJECT_SPECIES":"Mus musculus","TAXONOMY_ID":"10090","GENOTYPE_STRAIN":"Ndufs4, https://www.jax.org/strai n/02705 8","AGE_OR_AGE_RANGE":"45-50 days","GENDER":"Male","ANIMAL_ANIMAL_SUPPLIER":"Jackson Laboratory (ME, USA)","ANIMAL_LIGHT_CYCLE":"12:12 h","ANIMAL_FEED":"Rodent Breeder, Cat. #RM1845, LabChef, Nutritionhub","ANIMAL_WATER":"ad libitum"},
"SUBJECT_SAMPLE_FACTORS":[
{
"Subject ID":"-",
"Sample ID":"CB1 3 (E3)",
"Factors":{"Genotype":"WT"},
"Additional sample data":{"RAW_FILE_NAME":"CB1 3 (E3).d"}
},
{
"Subject ID":"-",
"Sample ID":"CB1 6 (E6)",
"Factors":{"Genotype":"WT"},
"Additional sample data":{"RAW_FILE_NAME":"CB1 6 (E6).d"}
},
{
"Subject ID":"-",
"Sample ID":"CB1 7 (7)",
"Factors":{"Genotype":"WT"},
"Additional sample data":{"RAW_FILE_NAME":"CB1 7 (7).d"}
},
{
"Subject ID":"-",
"Sample ID":"CB1 8 (8)",
"Factors":{"Genotype":"WT"},
"Additional sample data":{"RAW_FILE_NAME":"CB1 8 (8).d"}
},
{
"Subject ID":"-",
"Sample ID":"CB1 10 (9)",
"Factors":{"Genotype":"WT"},
"Additional sample data":{"RAW_FILE_NAME":"CB1 10 (9).d"}
},
{
"Subject ID":"-",
"Sample ID":"CB1 11 (11)",
"Factors":{"Genotype":"WT"},
"Additional sample data":{"RAW_FILE_NAME":"CB1 11 (11).d"}
},
{
"Subject ID":"-",
"Sample ID":"CB1 13 (12)",
"Factors":{"Genotype":"WT"},
"Additional sample data":{"RAW_FILE_NAME":"CB1 13 (12).d"}
},
{
"Subject ID":"-",
"Sample ID":"CB1 14 (13)",
"Factors":{"Genotype":"WT"},
"Additional sample data":{"RAW_FILE_NAME":"CB1 14 (13).d"}
},
{
"Subject ID":"-",
"Sample ID":"CB1 17 (17)",
"Factors":{"Genotype":"WT"},
"Additional sample data":{"RAW_FILE_NAME":"CB1 17 (17).d"}
},
{
"Subject ID":"-",
"Sample ID":"CB1 18 (18)",
"Factors":{"Genotype":"WT"},
"Additional sample data":{"RAW_FILE_NAME":"CB1 18 (18).d"}
},
{
"Subject ID":"-",
"Sample ID":"CB1 20 (20)",
"Factors":{"Genotype":"WT"},
"Additional sample data":{"RAW_FILE_NAME":"CB1 20 (20).d"}
},
{
"Subject ID":"-",
"Sample ID":"CB1 22 (22)",
"Factors":{"Genotype":"WT"},
"Additional sample data":{"RAW_FILE_NAME":"CB1 22 (22).d"}
},
{
"Subject ID":"-",
"Sample ID":"CB1 23 (23)",
"Factors":{"Genotype":"WT"},
"Additional sample data":{"RAW_FILE_NAME":"CB1 23 (23).d"}
},
{
"Subject ID":"-",
"Sample ID":"CB2 25 (25)",
"Factors":{"Genotype":"WT"},
"Additional sample data":{"RAW_FILE_NAME":"CB2 25 (25).d"}
},
{
"Subject ID":"-",
"Sample ID":"CB2 26 (26)",
"Factors":{"Genotype":"WT"},
"Additional sample data":{"RAW_FILE_NAME":"CB2 26 (26).d"}
},
{
"Subject ID":"-",
"Sample ID":"CB2 28 (28)",
"Factors":{"Genotype":"WT"},
"Additional sample data":{"RAW_FILE_NAME":"CB2 28 (28).d"}
},
{
"Subject ID":"-",
"Sample ID":"CB2 30 (30)",
"Factors":{"Genotype":"WT"},
"Additional sample data":{"RAW_FILE_NAME":"CB2 30 (30).d"}
},
{
"Subject ID":"-",
"Sample ID":"CB2 34 (31)",
"Factors":{"Genotype":"WT"},
"Additional sample data":{"RAW_FILE_NAME":"CB2 34 (31).d"}
},
{
"Subject ID":"-",
"Sample ID":"CB2 36 (37)",
"Factors":{"Genotype":"WT"},
"Additional sample data":{"RAW_FILE_NAME":"CB2 36 (37).d"}
},
{
"Subject ID":"-",
"Sample ID":"CB2 39 (39)",
"Factors":{"Genotype":"WT"},
"Additional sample data":{"RAW_FILE_NAME":"CB2 39 (39).d"}
},
{
"Subject ID":"-",
"Sample ID":"CB2 42 (40)",
"Factors":{"Genotype":"WT"},
"Additional sample data":{"RAW_FILE_NAME":"CB2 42 (40).d"}
},
{
"Subject ID":"-",
"Sample ID":"CB2 43 (1)",
"Factors":{"Genotype":"WT"},
"Additional sample data":{"RAW_FILE_NAME":"CB2 43 (1).d"}
},
{
"Subject ID":"-",
"Sample ID":"CB2 44 (2)",
"Factors":{"Genotype":"WT"},
"Additional sample data":{"RAW_FILE_NAME":"CB2 44 (2).d"}
},
{
"Subject ID":"-",
"Sample ID":"CB2 46 (4)",
"Factors":{"Genotype":"WT"},
"Additional sample data":{"RAW_FILE_NAME":"CB2 46 (4).d"}
},
{
"Subject ID":"-",
"Sample ID":"CB2 47 (5)",
"Factors":{"Genotype":"WT"},
"Additional sample data":{"RAW_FILE_NAME":"CB2 47 (5).d"}
},
{
"Subject ID":"-",
"Sample ID":"CB1 1 (E1)",
"Factors":{"Genotype":"KO"},
"Additional sample data":{"RAW_FILE_NAME":"CB1 1 (E1).d"}
},
{
"Subject ID":"-",
"Sample ID":"CB1 2 (E2)",
"Factors":{"Genotype":"KO"},
"Additional sample data":{"RAW_FILE_NAME":"CB1 2 (E2).d"}
},
{
"Subject ID":"-",
"Sample ID":"CB1 4 (E4)",
"Factors":{"Genotype":"KO"},
"Additional sample data":{"RAW_FILE_NAME":"CB1 4 (E4).d"}
},
{
"Subject ID":"-",
"Sample ID":"CB1 5 (E5)",
"Factors":{"Genotype":"KO"},
"Additional sample data":{"RAW_FILE_NAME":"CB1 5 (E5).d"}
},
{
"Subject ID":"-",
"Sample ID":"CB1 9 (10)",
"Factors":{"Genotype":"KO"},
"Additional sample data":{"RAW_FILE_NAME":"CB1 9 (10).d"}
},
{
"Subject ID":"-",
"Sample ID":"CB1 12 (14)",
"Factors":{"Genotype":"KO"},
"Additional sample data":{"RAW_FILE_NAME":"CB1 12 (14).d"}
},
{
"Subject ID":"-",
"Sample ID":"CB1 15 (15)",
"Factors":{"Genotype":"KO"},
"Additional sample data":{"RAW_FILE_NAME":"CB1 15 (15).d"}
},
{
"Subject ID":"-",
"Sample ID":"CB1 16 (16)",
"Factors":{"Genotype":"KO"},
"Additional sample data":{"RAW_FILE_NAME":"CB1 16 (16).d"}
},
{
"Subject ID":"-",
"Sample ID":"CB1 19 (19)",
"Factors":{"Genotype":"KO"},
"Additional sample data":{"RAW_FILE_NAME":"CB1 19 (19).d"}
},
{
"Subject ID":"-",
"Sample ID":"CB1 21 (21)",
"Factors":{"Genotype":"KO"},
"Additional sample data":{"RAW_FILE_NAME":"CB1 21 (21).d"}
},
{
"Subject ID":"-",
"Sample ID":"CB1 24 (24)",
"Factors":{"Genotype":"KO"},
"Additional sample data":{"RAW_FILE_NAME":"CB1 24 (24).d"}
},
{
"Subject ID":"-",
"Sample ID":"CB2 27 (27)",
"Factors":{"Genotype":"KO"},
"Additional sample data":{"RAW_FILE_NAME":"CB2 27 (27).d"}
},
{
"Subject ID":"-",
"Sample ID":"CB2 29 (29)",
"Factors":{"Genotype":"KO"},
"Additional sample data":{"RAW_FILE_NAME":"CB2 29 (29).d"}
},
{
"Subject ID":"-",
"Sample ID":"CB2 31 (34)",
"Factors":{"Genotype":"KO"},
"Additional sample data":{"RAW_FILE_NAME":"CB2 31 (34).d"}
},
{
"Subject ID":"-",
"Sample ID":"CB2 32 (32)",
"Factors":{"Genotype":"KO"},
"Additional sample data":{"RAW_FILE_NAME":"CB2 32 (32).d"}
},
{
"Subject ID":"-",
"Sample ID":"CB2 33 (33)",
"Factors":{"Genotype":"KO"},
"Additional sample data":{"RAW_FILE_NAME":"CB2 33 (33).d"}
},
{
"Subject ID":"-",
"Sample ID":"CB2 35 (35)",
"Factors":{"Genotype":"KO"},
"Additional sample data":{"RAW_FILE_NAME":"CB2 35 (35).d"}
},
{
"Subject ID":"-",
"Sample ID":"CB2 37 (36)",
"Factors":{"Genotype":"KO"},
"Additional sample data":{"RAW_FILE_NAME":"CB2 37 (36).d"}
},
{
"Subject ID":"-",
"Sample ID":"CB2 38 (38)",
"Factors":{"Genotype":"KO"},
"Additional sample data":{"RAW_FILE_NAME":"CB2 38 (38).d"}
},
{
"Subject ID":"-",
"Sample ID":"CB2 40 (41)",
"Factors":{"Genotype":"KO"},
"Additional sample data":{"RAW_FILE_NAME":"CB2 40 (41).d"}
},
{
"Subject ID":"-",
"Sample ID":"CB2 41 (42)",
"Factors":{"Genotype":"KO"},
"Additional sample data":{"RAW_FILE_NAME":"CB2 41 (42).d"}
},
{
"Subject ID":"-",
"Sample ID":"CB2 45 (3)",
"Factors":{"Genotype":"KO"},
"Additional sample data":{"RAW_FILE_NAME":"CB2 45 (3).d"}
}
],
"COLLECTION":{"COLLECTION_SUMMARY":"Mice were euthanized between postnatal day (P) 45-50 via cervical dislocation at the same time of day (8:00-9:00 AM) after overnight (12-h) fasting. The brain was removed and rinsed with saline solution (SABAX PBS; 0.9% NaCl (w/v), #7634, Adcock Ingram) to remove surrounding blood. The brain regions of interest, namely the anterior cortex (AC), brainstem (BS), cerebellum (CB) and olfactory bulbs (OB), were then dissected, snap-frozen in liquid nitrogen (within 15 minutes postmortem) and stored at − 80°C until used.","SAMPLE_TYPE":"Brain"},

"TREATMENT":{"TREATMENT_SUMMARY":"The animals did not receive any treatment"},

"SAMPLEPREP":{"SAMPLEPREP_SUMMARY":"Brain regions were homogenized in the presence of internal standards using a vibration mill. Metabolite extraction was achieved using a biphasic Bligh–Dyer extraction method (methanol/water/chloroform, 2:1.8:2). The polar phases of biphasic extracts were used for LC-MS/MS analysis"},

"CHROMATOGRAPHY":{"CHROMATOGRAPHY_TYPE":"Reversed phase","INSTRUMENT_NAME":"Agilent 1200","COLUMN_NAME":"Agilent C18 Zorbax SB-AQ (150 x 2.1mm, 3.5um)"},

"ANALYSIS":{"ANALYSIS_TYPE":"MS"},

"MS":{"INSTRUMENT_NAME":"Agilent 6410 QQQ","INSTRUMENT_TYPE":"Triple quadrupole","MS_TYPE":"ESI","ION_MODE":"POSITIVE","MS_COMMENTS":"The Agilent© MassHunter Workstation (v B02.01) and MassHunter Optimiser (v B02.01) software were used for data acquisition in the multiple reaction monitoring (MRM) configuration setting with parameters set for target amino acids, -derivatives, acylcarnitines, and isotopes. Data extraction was done using the Agilent© MassHunter Workstation software (v B06.00; Qualitative Analysis and Quantitative Analysis)"},

"MS_METABOLITE_DATA":{
"Units":"Area",

"Data":[{"Metabolite":"Taurine","CB1 3 (E3)":"8821999985","CB1 6 (E6)":"8265094","CB1 7 (7)":"7592820631","CB1 8 (8)":"72719535","CB1 10 (9)":"7050765443","CB1 11 (11)":"8682189148","CB1 13 (12)":"7467522","CB1 14 (13)":"7589197","CB1 17 (17)":"7984596116","CB1 18 (18)":"7757693","CB1 20 (20)":"8449346","CB1 22 (22)":"7566896","CB1 23 (23)":"103096615","CB2 25 (25)":"5143606","CB2 26 (26)":"6423862234","CB2 28 (28)":"6012278","CB2 30 (30)":"6130316042","CB2 34 (31)":"63409705","CB2 36 (37)":"6991362","CB2 39 (39)":"6664578174","CB2 42 (40)":"6579819","CB2 43 (1)":"5914066374","CB2 44 (2)":"5787690282","CB2 46 (4)":"71938105","CB2 47 (5)":"5148926816","CB1 1 (E1)":"9669238","CB1 2 (E2)":"9176879858","CB1 4 (E4)":"737863826","CB1 5 (E5)":"1083490487","CB1 9 (10)":"9804201","CB1 12 (14)":"102450835","CB1 15 (15)":"9439779463","CB1 16 (16)":"7479798","CB1 19 (19)":"6979373","CB1 21 (21)":"8003329","CB1 24 (24)":"8624943","CB2 27 (27)":"6950133","CB2 29 (29)":"69298235","CB2 31 (34)":"65836925","CB2 32 (32)":"7699868","CB2 33 (33)":"6868779","CB2 35 (35)":"7030631","CB2 37 (36)":"88783385","CB2 38 (38)":"54685525","CB2 40 (41)":"6964330231","CB2 41 (42)":"5685912","CB2 45 (3)":"80730935"},{"Metabolite":"Ornithine","CB1 3 (E3)":"11208855","CB1 6 (E6)":"7713211332","CB1 7 (7)":"1445244","CB1 8 (8)":"10687875","CB1 10 (9)":"7855715","CB1 11 (11)":"628003296","CB1 13 (12)":"9614361471","CB1 14 (13)":"88416497","CB1 17 (17)":"11265165","CB1 18 (18)":"123598246","CB1 20 (20)":"9686652545","CB1 22 (22)":"898173","CB1 23 (23)":"13448665","CB2 25 (25)":"5806512932","CB2 26 (26)":"7672012292","CB2 28 (28)":"8975722272","CB2 30 (30)":"1113476","CB2 34 (31)":"7353772076","CB2 36 (37)":"8622945","CB2 39 (39)":"1088882769","CB2 42 (40)":"9876941138","CB2 43 (1)":"101294","CB2 44 (2)":"9657421525","CB2 46 (4)":"4880446538","CB2 47 (5)":"1095231656","CB1 1 (E1)":"978773","CB1 2 (E2)":"10839335","CB1 4 (E4)":"1211628882","CB1 5 (E5)":"1198311635","CB1 9 (10)":"9324905","CB1 12 (14)":"1106555","CB1 15 (15)":"1122978","CB1 16 (16)":"801008","CB1 19 (19)":"6270083923","CB1 21 (21)":"10772975","CB1 24 (24)":"13075755","CB2 27 (27)":"7192205","CB2 29 (29)":"644691","CB2 31 (34)":"4960225","CB2 32 (32)":"590272","CB2 33 (33)":"9172835","CB2 35 (35)":"8106149436","CB2 37 (36)":"713833","CB2 38 (38)":"538097","CB2 40 (41)":"5064569591","CB2 41 (42)":"6261440409","CB2 45 (3)":"1011601"},{"Metabolite":"Histidine","CB1 3 (E3)":"84889086","CB1 6 (E6)":"8061992349","CB1 7 (7)":"7335624527","CB1 8 (8)":"766520264","CB1 10 (9)":"6310148","CB1 11 (11)":"620536035","CB1 13 (12)":"1025327765","CB1 14 (13)":"661820265","CB1 17 (17)":"655824685","CB1 18 (18)":"8153543583","CB1 20 (20)":"7520465","CB1 22 (22)":"78047688","CB1 23 (23)":"9763371776","CB2 25 (25)":"7307156","CB2 26 (26)":"5710925251","CB2 28 (28)":"508023635","CB2 30 (30)":"7444431783","CB2 34 (31)":"482666275","CB2 36 (37)":"6525304589","CB2 39 (39)":"7165699692","CB2 42 (40)":"640621375","CB2 43 (1)":"55781392","CB2 44 (2)":"4998718496","CB2 46 (4)":"6748615595","CB2 47 (5)":"793257755","CB1 1 (E1)":"656389625","CB1 2 (E2)":"1017051251","CB1 4 (E4)":"794184005","CB1 5 (E5)":"1027633394","CB1 9 (10)":"8232114891","CB1 12 (14)":"57202996","CB1 15 (15)":"4454317514","CB1 16 (16)":"8043801822","CB1 19 (19)":"6051900771","CB1 21 (21)":"109836122","CB1 24 (24)":"5514293554","CB2 27 (27)":"6392066253","CB2 29 (29)":"8293261228","CB2 31 (34)":"5643688645","CB2 32 (32)":"5257413787","CB2 33 (33)":"7317283948","CB2 35 (35)":"59711014","CB2 37 (36)":"5370372571","CB2 38 (38)":"6912941","CB2 40 (41)":"6897031807","CB2 41 (42)":"368737203","CB2 45 (3)":"3592963241"},{"Metabolite":"3-Methylhistidine","CB1 3 (E3)":"17547785","CB1 6 (E6)":"222072","CB1 7 (7)":"13194215","CB1 8 (8)":"14709405","CB1 10 (9)":"176989","CB1 11 (11)":"20347535","CB1 13 (12)":"2652379","CB1 14 (13)":"1053717534","CB1 17 (17)":"1813414","CB1 18 (18)":"16497195","CB1 20 (20)":"1424422587","CB1 22 (22)":"178673","CB1 23 (23)":"19483575","CB2 25 (25)":"1170665952","CB2 26 (26)":"14552285","CB2 28 (28)":"1398268","CB2 30 (30)":"17659385","CB2 34 (31)":"890831","CB2 36 (37)":"1262309561","CB2 39 (39)":"18316005","CB2 42 (40)":"15509005","CB2 43 (1)":"1353160912","CB2 44 (2)":"9115205","CB2 46 (4)":"1448013","CB2 47 (5)":"1209638","CB1 1 (E1)":"2459459439","CB1 2 (E2)":"1608875","CB1 4 (E4)":"2079185","CB1 5 (E5)":"19851325","CB1 9 (10)":"3585901","CB1 12 (14)":"1723446793","CB1 15 (15)":"740215","CB1 16 (16)":"3613363","CB1 19 (19)":"2072711","CB1 21 (21)":"159957","CB1 24 (24)":"16214665","CB2 27 (27)":"1468025363","CB2 29 (29)":"21942395","CB2 31 (34)":"1695395","CB2 32 (32)":"1521846","CB2 33 (33)":"28131715","CB2 35 (35)":"2629324614","CB2 37 (36)":"18660665","CB2 38 (38)":"1547849115","CB2 40 (41)":"2303524","CB2 41 (42)":"1468306727","CB2 45 (3)":"1069343738"},{"Metabolite":"Lysine (isotope)","CB1 3 (E3)":"20386117","CB1 6 (E6)":"18550199","CB1 7 (7)":"15983152","CB1 8 (8)":"165913165","CB1 10 (9)":"17759904","CB1 11 (11)":"1482897","CB1 13 (12)":"21609063","CB1 14 (13)":"18201236","CB1 17 (17)":"173953125","CB1 18 (18)":"1817621896","CB1 20 (20)":"17560647","CB1 22 (22)":"1670248488","CB1 23 (23)":"22124548","CB2 25 (25)":"151743555","CB2 26 (26)":"1562251693","CB2 28 (28)":"1638443492","CB2 30 (30)":"1560093703","CB2 34 (31)":"1203244395","CB2 36 (37)":"13728642","CB2 39 (39)":"128294655","CB2 42 (40)":"1422038116","CB2 43 (1)":"137809135","CB2 44 (2)":"125159595","CB2 46 (4)":"1348797528","CB2 47 (5)":"12124225","CB1 1 (E1)":"19235641","CB1 2 (E2)":"166684861","CB1 4 (E4)":"182999915","CB1 5 (E5)":"1895406077","CB1 9 (10)":"183756225","CB1 12 (14)":"1716104977","CB1 15 (15)":"1926355","CB1 16 (16)":"17707319","CB1 19 (19)":"16582334","CB1 21 (21)":"156751285","CB1 24 (24)":"21112449","CB2 27 (27)":"1646117584","CB2 29 (29)":"1244589908","CB2 31 (34)":"1405065344","CB2 32 (32)":"155484925","CB2 33 (33)":"14237151","CB2 35 (35)":"1212947709","CB2 37 (36)":"1317773389","CB2 38 (38)":"14401215","CB2 40 (41)":"1433219847","CB2 41 (42)":"1360519947","CB2 45 (3)":"1363763031"},{"Metabolite":"Lysine","CB1 3 (E3)":"5809321936","CB1 6 (E6)":"4710580354","CB1 7 (7)":"53554777","CB1 8 (8)":"428064919","CB1 10 (9)":"36712323","CB1 11 (11)":"39461969","CB1 13 (12)":"6058761717","CB1 14 (13)":"453797705","CB1 17 (17)":"5345910975","CB1 18 (18)":"590282575","CB1 20 (20)":"4185950778","CB1 22 (22)":"4520450177","CB1 23 (23)":"6121543564","CB2 25 (25)":"412652645","CB2 26 (26)":"4226869757","CB2 28 (28)":"3587360224","CB2 30 (30)":"5445897611","CB2 34 (31)":"291806935","CB2 36 (37)":"37083378","CB2 39 (39)":"3763359993","CB2 42 (40)":"4397940421","CB2 43 (1)":"3198831348","CB2 44 (2)":"3123119829","CB2 46 (4)":"4067330784","CB2 47 (5)":"3206540166","CB1 1 (E1)":"3884869502","CB1 2 (E2)":"6491949635","CB1 4 (E4)":"492253285","CB1 5 (E5)":"5654962819","CB1 9 (10)":"4935444304","CB1 12 (14)":"6001666741","CB1 15 (15)":"653319425","CB1 16 (16)":"3761023923","CB1 19 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}

}