{
"METABOLOMICS WORKBENCH":{"STUDY_ID":"ST001479","ANALYSIS_ID":"AN002455","VERSION":"1","CREATED_ON":"September 14, 2020, 1:29 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 - I)","STUDY_SUMMARY":"Targeted LC-MS/MS analysis of amino acids and acylcarnitines in Ndufs4 KO and WT mouse anterior cortex (AC)","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","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":"AC1 3 (E3)",
"Factors":{"Genotype":"WT"},
"Additional sample data":{"RAW_FILE_NAME":"AC1 3 (E3).d"}
},
{
"Subject ID":"-",
"Sample ID":"AC1 4 (5)",
"Factors":{"Genotype":"WT"},
"Additional sample data":{"RAW_FILE_NAME":"AC1 4 (5).d"}
},
{
"Subject ID":"-",
"Sample ID":"AC1 6 (E6)",
"Factors":{"Genotype":"WT"},
"Additional sample data":{"RAW_FILE_NAME":"AC1 6 (E6).d"}
},
{
"Subject ID":"-",
"Sample ID":"AC1 7 (7)",
"Factors":{"Genotype":"WT"},
"Additional sample data":{"RAW_FILE_NAME":"AC1 7 (7).d"}
},
{
"Subject ID":"-",
"Sample ID":"AC1 8 (8)",
"Factors":{"Genotype":"WT"},
"Additional sample data":{"RAW_FILE_NAME":"AC1 8 (8).d"}
},
{
"Subject ID":"-",
"Sample ID":"AC1 10 (9)",
"Factors":{"Genotype":"WT"},
"Additional sample data":{"RAW_FILE_NAME":"AC1 10 (9).d"}
},
{
"Subject ID":"-",
"Sample ID":"AC1 11 (11)",
"Factors":{"Genotype":"WT"},
"Additional sample data":{"RAW_FILE_NAME":"AC1 11 (11).d"}
},
{
"Subject ID":"-",
"Sample ID":"AC1 13 (12)",
"Factors":{"Genotype":"WT"},
"Additional sample data":{"RAW_FILE_NAME":"AC1 13 (12).d"}
},
{
"Subject ID":"-",
"Sample ID":"AC1 14 (13)",
"Factors":{"Genotype":"WT"},
"Additional sample data":{"RAW_FILE_NAME":"AC1 14 (13).d"}
},
{
"Subject ID":"-",
"Sample ID":"AC1 17 (17)",
"Factors":{"Genotype":"WT"},
"Additional sample data":{"RAW_FILE_NAME":"AC1 17 (17).d"}
},
{
"Subject ID":"-",
"Sample ID":"AC1 18 (18)",
"Factors":{"Genotype":"WT"},
"Additional sample data":{"RAW_FILE_NAME":"AC1 18 (18).d"}
},
{
"Subject ID":"-",
"Sample ID":"AC1 20 (20)",
"Factors":{"Genotype":"WT"},
"Additional sample data":{"RAW_FILE_NAME":"AC1 20 (20).d"}
},
{
"Subject ID":"-",
"Sample ID":"AC1 22 (22)",
"Factors":{"Genotype":"WT"},
"Additional sample data":{"RAW_FILE_NAME":"AC1 22 (22).d"}
},
{
"Subject ID":"-",
"Sample ID":"AC1 23 (23)",
"Factors":{"Genotype":"WT"},
"Additional sample data":{"RAW_FILE_NAME":"AC1 23 (23).d"}
},
{
"Subject ID":"-",
"Sample ID":"AC2 25 (25)",
"Factors":{"Genotype":"WT"},
"Additional sample data":{"RAW_FILE_NAME":"AC2 25 (25).d"}
},
{
"Subject ID":"-",
"Sample ID":"AC2 26 (26)",
"Factors":{"Genotype":"WT"},
"Additional sample data":{"RAW_FILE_NAME":"AC2 26 (26).d"}
},
{
"Subject ID":"-",
"Sample ID":"AC2 28 (28)",
"Factors":{"Genotype":"WT"},
"Additional sample data":{"RAW_FILE_NAME":"AC2 28 (28).d"}
},
{
"Subject ID":"-",
"Sample ID":"AC2 30 (30)",
"Factors":{"Genotype":"WT"},
"Additional sample data":{"RAW_FILE_NAME":"AC2 30 (30).d"}
},
{
"Subject ID":"-",
"Sample ID":"AC2 31 (31)",
"Factors":{"Genotype":"WT"},
"Additional sample data":{"RAW_FILE_NAME":"AC2 31 (31).d"}
},
{
"Subject ID":"-",
"Sample ID":"AC2 33 (1)",
"Factors":{"Genotype":"WT"},
"Additional sample data":{"RAW_FILE_NAME":"AC2 33 (1).d"}
},
{
"Subject ID":"-",
"Sample ID":"AC2 34 (2)",
"Factors":{"Genotype":"WT"},
"Additional sample data":{"RAW_FILE_NAME":"AC2 34 (2).d"}
},
{
"Subject ID":"-",
"Sample ID":"AC2 36 (37) r",
"Factors":{"Genotype":"WT"},
"Additional sample data":{"RAW_FILE_NAME":"AC2 36 (37) r.d"}
},
{
"Subject ID":"-",
"Sample ID":"AC2 39 (39)",
"Factors":{"Genotype":"WT"},
"Additional sample data":{"RAW_FILE_NAME":"AC2 39 (39).d"}
},
{
"Subject ID":"-",
"Sample ID":"AC2 42 (40)",
"Factors":{"Genotype":"WT"},
"Additional sample data":{"RAW_FILE_NAME":"AC2 42 (40).d"}
},
{
"Subject ID":"-",
"Sample ID":"AC2 43 (3)",
"Factors":{"Genotype":"WT"},
"Additional sample data":{"RAW_FILE_NAME":"AC2 43 (3).d"}
},
{
"Subject ID":"-",
"Sample ID":"AC2 44 (4)",
"Factors":{"Genotype":"WT"},
"Additional sample data":{"RAW_FILE_NAME":"AC2 44 (4).d"}
},
{
"Subject ID":"-",
"Sample ID":"AC1 1 (E1)",
"Factors":{"Genotype":"KO"},
"Additional sample data":{"RAW_FILE_NAME":"AC1 1 (E1).d"}
},
{
"Subject ID":"-",
"Sample ID":"AC1 2 (E2)",
"Factors":{"Genotype":"KO"},
"Additional sample data":{"RAW_FILE_NAME":"AC1 2 (E2).d"}
},
{
"Subject ID":"-",
"Sample ID":"AC1 5 (E5)",
"Factors":{"Genotype":"KO"},
"Additional sample data":{"RAW_FILE_NAME":"AC1 5 (E5).d"}
},
{
"Subject ID":"-",
"Sample ID":"AC1 9 (10)",
"Factors":{"Genotype":"KO"},
"Additional sample data":{"RAW_FILE_NAME":"AC1 9 (10).d"}
},
{
"Subject ID":"-",
"Sample ID":"AC1 12 (14)",
"Factors":{"Genotype":"KO"},
"Additional sample data":{"RAW_FILE_NAME":"AC1 12 (14).d"}
},
{
"Subject ID":"-",
"Sample ID":"AC1 15 (15)",
"Factors":{"Genotype":"KO"},
"Additional sample data":{"RAW_FILE_NAME":"AC1 15 (15).d"}
},
{
"Subject ID":"-",
"Sample ID":"AC1 16 (16)",
"Factors":{"Genotype":"KO"},
"Additional sample data":{"RAW_FILE_NAME":"AC1 16 (16).d"}
},
{
"Subject ID":"-",
"Sample ID":"AC1 19 (19)",
"Factors":{"Genotype":"KO"},
"Additional sample data":{"RAW_FILE_NAME":"AC1 19 (19).d"}
},
{
"Subject ID":"-",
"Sample ID":"AC1 21 (21)",
"Factors":{"Genotype":"KO"},
"Additional sample data":{"RAW_FILE_NAME":"AC1 21 (21).d"}
},
{
"Subject ID":"-",
"Sample ID":"AC1 24 (24)",
"Factors":{"Genotype":"KO"},
"Additional sample data":{"RAW_FILE_NAME":"AC1 24 (24).d"}
},
{
"Subject ID":"-",
"Sample ID":"AC2 27 (27)",
"Factors":{"Genotype":"KO"},
"Additional sample data":{"RAW_FILE_NAME":"AC2 27 (27).d"}
},
{
"Subject ID":"-",
"Sample ID":"AC2 29 (29)",
"Factors":{"Genotype":"KO"},
"Additional sample data":{"RAW_FILE_NAME":"AC2 29 (29).d"}
},
{
"Subject ID":"-",
"Sample ID":"AC2 32 (32)",
"Factors":{"Genotype":"KO"},
"Additional sample data":{"RAW_FILE_NAME":"AC2 32 (32).d"}
},
{
"Subject ID":"-",
"Sample ID":"AC2 35 (35) R",
"Factors":{"Genotype":"KO"},
"Additional sample data":{"RAW_FILE_NAME":"AC2 35 (35) R.d"}
},
{
"Subject ID":"-",
"Sample ID":"AC2 37 (36)",
"Factors":{"Genotype":"KO"},
"Additional sample data":{"RAW_FILE_NAME":"AC2 37 (36).d"}
},
{
"Subject ID":"-",
"Sample ID":"AC2 38 (38)",
"Factors":{"Genotype":"KO"},
"Additional sample data":{"RAW_FILE_NAME":"AC2 38 (38).d"}
},
{
"Subject ID":"-",
"Sample ID":"AC2 40 (41)",
"Factors":{"Genotype":"KO"},
"Additional sample data":{"RAW_FILE_NAME":"AC2 40 (41).d"}
},
{
"Subject ID":"-",
"Sample ID":"AC2 41 (42)",
"Factors":{"Genotype":"KO"},
"Additional sample data":{"RAW_FILE_NAME":"AC2 41 (42).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. Mice strain: https://www.jax.org/strain/027058","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","AC1 3 (E3)":"143960835","AC1 4 (5)":"1599075381","AC1 6 (E6)":"1509363663","AC1 7 (7)":"13732811","AC1 8 (8)":"16575964","AC1 10 (9)":"9954783","AC1 11 (11)":"11990706","AC1 13 (12)":"1429077866","AC1 14 (13)":"109698835","AC1 17 (17)":"1159806","AC1 18 (18)":"12993863","AC1 20 (20)":"117242715","AC1 22 (22)":"1996642811","AC1 23 (23)":"127196615","AC2 25 (25)":"1274991577","AC2 26 (26)":"1231151915","AC2 28 (28)":"127487395","AC2 30 (30)":"11457736","AC2 31 (31)":"108107","AC2 33 (1)":"96964085","AC2 34 (2)":"12288827","AC2 36 (37) r":"1408208186","AC2 39 (39)":"166885935","AC2 42 (40)":"7400309905","AC2 43 (3)":"14712851","AC2 44 (4)":"95816","AC1 1 (E1)":"1558338479","AC1 2 (E2)":"160714605","AC1 5 (E5)":"14350447","AC1 9 (10)":"14146867","AC1 12 (14)":"169005855","AC1 15 (15)":"1793920681","AC1 16 (16)":"1069174947","AC1 19 (19)":"13976742","AC1 21 (21)":"98271225","AC1 24 (24)":"1772168717","AC2 27 (27)":"1211430915","AC2 29 (29)":"1627624727","AC2 32 (32)":"13666823","AC2 35 (35) R":"157177225","AC2 37 (36)":"1278353763","AC2 38 (38)":"10599201","AC2 40 (41)":"9626797","AC2 41 (42)":"8955215535"},{"Metabolite":"Ornithine","AC1 3 (E3)":"2573367956","AC1 4 (5)":"22091505","AC1 6 (E6)":"560142951","AC1 7 (7)":"3122273472","AC1 8 (8)":"4124611369","AC1 10 (9)":"268749671","AC1 11 (11)":"3368497","AC1 13 (12)":"5143066","AC1 14 (13)":"1790548308","AC1 17 (17)":"1787206229","AC1 18 (18)":"493523517","AC1 20 (20)":"2843288777","AC1 22 (22)":"27108315","AC1 23 (23)":"2520158052","AC2 25 (25)":"2601941","AC2 26 (26)":"3467711354","AC2 28 (28)":"25897515","AC2 30 (30)":"51028175","AC2 31 (31)":"3716858769","AC2 33 (1)":"2750212533","AC2 34 (2)":"30717165","AC2 36 (37) r":"3278956","AC2 39 (39)":"38362625","AC2 42 (40)":"2396085752","AC2 43 (3)":"2372410163","AC2 44 (4)":"2745959672","AC1 1 (E1)":"1771050687","AC1 2 (E2)":"26222545","AC1 5 (E5)":"40191205","AC1 9 (10)":"1823874203","AC1 12 (14)":"3448794363","AC1 15 (15)":"3290848423","AC1 16 (16)":"2383345624","AC1 19 (19)":"2136987201","AC1 21 (21)":"3220909112","AC1 24 (24)":"218456017","AC2 27 (27)":"324822","AC2 29 (29)":"1666259382","AC2 32 (32)":"4179229807","AC2 35 (35) R":"2411956746","AC2 37 (36)":"242592944","AC2 38 (38)":"2610861693","AC2 40 (41)":"1887481","AC2 41 (42)":"1851835116"},{"Metabolite":"Histidine","AC1 3 (E3)":"1514365727","AC1 4 (5)":"2261909409","AC1 6 (E6)":"177136843","AC1 7 (7)":"117255793","AC1 8 (8)":"217094563","AC1 10 (9)":"1106892329","AC1 11 (11)":"1317896914","AC1 13 (12)":"1296500457","AC1 14 (13)":"1183715807","AC1 17 (17)":"1256372678","AC1 18 (18)":"1604497178","AC1 20 (20)":"1472095816","AC1 22 (22)":"1436631713","AC1 23 (23)":"130625991","AC2 25 (25)":"1542665341","AC2 26 (26)":"1553808211","AC2 28 (28)":"1344345929","AC2 30 (30)":"1905589795","AC2 31 (31)":"1217846174","AC2 33 (1)":"1375655803","AC2 34 (2)":"1295796787","AC2 36 (37) r":"198918159","AC2 39 (39)":"2113049321","AC2 42 (40)":"1159954782","AC2 43 (3)":"1080657312","AC2 44 (4)":"1717249005","AC1 1 (E1)":"1441543445","AC1 2 (E2)":"1908460476","AC1 5 (E5)":"1992485057","AC1 9 (10)":"1251668834","AC1 12 (14)":"1591540115","AC1 15 (15)":"9157019928","AC1 16 (16)":"1521239672","AC1 19 (19)":"1295074752","AC1 21 (21)":"2641417271","AC1 24 (24)":"1410782137","AC2 27 (27)":"1883135644","AC2 29 (29)":"1913864762","AC2 32 (32)":"1267095811","AC2 35 (35) R":"1851122542","AC2 37 (36)":"1414870041","AC2 38 (38)":"1947570067","AC2 40 (41)":"1268080942","AC2 41 (42)":"78440681"},{"Metabolite":"3-Methylhistidine","AC1 3 (E3)":"2053342","AC1 4 (5)":"3653247275","AC1 6 (E6)":"2125711031","AC1 7 (7)":"3551343","AC1 8 (8)":"2609470002","AC1 10 (9)":"2083554188","AC1 11 (11)":"2037850427","AC1 13 (12)":"3683792308","AC1 14 (13)":"1340151644","AC1 17 (17)":"2826696777","AC1 18 (18)":"2662367207","AC1 20 (20)":"2469560169","AC1 22 (22)":"2640413522","AC1 23 (23)":"2398438","AC2 25 (25)":"2651205","AC2 26 (26)":"2185003","AC2 28 (28)":"3205008613","AC2 30 (30)":"2408885913","AC2 31 (31)":"9900945","AC2 33 (1)":"2848606398","AC2 34 (2)":"1319064899","AC2 36 (37) r":"2827740987","AC2 39 (39)":"25150335","AC2 42 (40)":"2450454067","AC2 43 (3)":"2528520805","AC2 44 (4)":"2600342496","AC1 1 (E1)":"4882818997","AC1 2 (E2)":"3402770968","AC1 5 (E5)":"28937","AC1 9 (10)":"3740888024","AC1 12 (14)":"2432051045","AC1 15 (15)":"8716135","AC1 16 (16)":"5216773683","AC1 19 (19)":"2324201","AC1 21 (21)":"24032825","AC1 24 (24)":"2636605089","AC2 27 (27)":"3569266","AC2 29 (29)":"3287963","AC2 32 (32)":"2308629458","AC2 35 (35) R":"3323116","AC2 37 (36)":"295350302","AC2 38 (38)":"2978507","AC2 40 (41)":"2018274533","AC2 41 (42)":"1670141221"},{"Metabolite":"Lysine (isotope)","AC1 3 (E3)":"369385365","AC1 4 (5)":"3334558977","AC1 6 (E6)":"36573879","AC1 7 (7)":"3455715938","AC1 8 (8)":"392093025","AC1 10 (9)":"35475392","AC1 11 (11)":"35362569","AC1 13 (12)":"36086258","AC1 14 (13)":"35767781","AC1 17 (17)":"308685815","AC1 18 (18)":"340819825","AC1 20 (20)":"36165297","AC1 22 (22)":"37468169","AC1 23 (23)":"296250685","AC2 25 (25)":"398252765","AC2 26 (26)":"356297645","AC2 28 (28)":"35102306","AC2 30 (30)":"36876973","AC2 31 (31)":"38245766","AC2 33 (1)":"37469086","AC2 34 (2)":"35815267","AC2 36 (37) r":"385925695","AC2 39 (39)":"37332768","AC2 42 (40)":"321086045","AC2 43 (3)":"369629995","AC2 44 (4)":"385742435","AC1 1 (E1)":"40693561","AC1 2 (E2)":"3649801016","AC1 5 (E5)":"416010645","AC1 9 (10)":"370048995","AC1 12 (14)":"36625923","AC1 15 (15)":"364954405","AC1 16 (16)":"303220835","AC1 19 (19)":"34189309","AC1 21 (21)":"36926419","AC1 24 (24)":"387950635","AC2 27 (27)":"3539115341","AC2 29 (29)":"346983345","AC2 32 (32)":"392923965","AC2 35 (35) R":"4244624999","AC2 37 (36)":"38047435","AC2 38 (38)":"364669905","AC2 40 (41)":"277337255","AC2 41 (42)":"30497613"},{"Metabolite":"Lysine","AC1 3 (E3)":"91580271","AC1 4 (5)":"8981100314","AC1 6 (E6)":"9364742306","AC1 7 (7)":"9084816449","AC1 8 (8)":"9489365041","AC1 10 (9)":"586433915","AC1 11 (11)":"8610038098","AC1 13 (12)":"7655912235","AC1 14 (13)":"7200038486","AC1 17 (17)":"76179487","AC1 18 (18)":"983695075","AC1 20 (20)":"787535805","AC1 22 (22)":"70551495","AC1 23 (23)":"74738581","AC2 25 (25)":"808849555","AC2 26 (26)":"837667485","AC2 28 (28)":"804886284","AC2 30 (30)":"93469263","AC2 31 (31)":"758952285","AC2 33 (1)":"70184483","AC2 34 (2)":"763391015","AC2 36 (37) r":"81245517","AC2 39 (39)":"1066015212","AC2 42 (40)":"712307257","AC2 43 (3)":"1361643375","AC2 44 (4)":"85581682","AC1 1 (E1)":"68395461","AC1 2 (E2)":"923212667","AC1 5 (E5)":"1120313968","AC1 9 (10)":"8578671247","AC1 12 (14)":"106019427","AC1 15 (15)":"784889295","AC1 16 (16)":"59416656","AC1 19 (19)":"74769528","AC1 21 (21)":"106671563","AC1 24 (24)":"97300403","AC2 27 (27)":"1169215435","AC2 29 (29)":"74697558","AC2 32 (32)":"956125232","AC2 35 (35) R":"81054137","AC2 37 (36)":"581694675","AC2 38 (38)":"9017342827","AC2 40 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}

}