{
"METABOLOMICS WORKBENCH":{"STUDY_ID":"ST001884","ANALYSIS_ID":"AN003048","VERSION":"1","CREATED_ON":"July 24, 2021, 2:58 pm"},

"PROJECT":{"PROJECT_TITLE":"Ndufs4 KO mouse urine metabolomics","PROJECT_TYPE":"Multi-platform metabolomics analysis of Ndufs4 KO mouse urine","PROJECT_SUMMARY":"Multi-platform metabolomics analysis of urine 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 urine (part - II)","STUDY_SUMMARY":"Targeted LC-MS/MS analysis of amino acids and acylcarnitines in Ndufs4 KO and WT mouse urine","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_LIGHT_CYCLE":"12:12 h","ANIMAL_FEED":"Rodent Breeder, Cat. #RM1845, LabChef, Nutritionhub","ANIMAL_WATER":"ad libitum","ANIMAL_ANIMAL_SUPPLIER":"Jackson Laboratory (ME, USA)"},
"SUBJECT_SAMPLE_FACTORS":[
{
"Subject ID":"-",
"Sample ID":"49_2a",
"Factors":{"Genotype":"WT"},
"Additional sample data":{"RAW_FILE_NAME":"49.2a.WT.d"}
},
{
"Subject ID":"-",
"Sample ID":"82_2g",
"Factors":{"Genotype":"WT"},
"Additional sample data":{"RAW_FILE_NAME":"82.2g.WT.d"}
},
{
"Subject ID":"-",
"Sample ID":"91_2i",
"Factors":{"Genotype":"WT"},
"Additional sample data":{"RAW_FILE_NAME":"91.2i.WT.d"}
},
{
"Subject ID":"-",
"Sample ID":"9_3d",
"Factors":{"Genotype":"WT"},
"Additional sample data":{"RAW_FILE_NAME":"9.3d.WT.d"}
},
{
"Subject ID":"-",
"Sample ID":"57_3l",
"Factors":{"Genotype":"WT"},
"Additional sample data":{"RAW_FILE_NAME":"57.3l.WT.d"}
},
{
"Subject ID":"-",
"Sample ID":"88_3q",
"Factors":{"Genotype":"WT"},
"Additional sample data":{"RAW_FILE_NAME":"88.3q.WT.d"}
},
{
"Subject ID":"-",
"Sample ID":"9_4j",
"Factors":{"Genotype":"WT"},
"Additional sample data":{"RAW_FILE_NAME":"9.4j.WT.d"}
},
{
"Subject ID":"-",
"Sample ID":"27_4n",
"Factors":{"Genotype":"WT"},
"Additional sample data":{"RAW_FILE_NAME":"27.4n.WT.d"}
},
{
"Subject ID":"-",
"Sample ID":"37_4p",
"Factors":{"Genotype":"WT"},
"Additional sample data":{"RAW_FILE_NAME":"37.4p.WT.d"}
},
{
"Subject ID":"-",
"Sample ID":"12_1f",
"Factors":{"Genotype":"WT"},
"Additional sample data":{"RAW_FILE_NAME":"12.1f.WT.d"}
},
{
"Subject ID":"-",
"Sample ID":"8_1v",
"Factors":{"Genotype":"WT"},
"Additional sample data":{"RAW_FILE_NAME":"8.1v.WT.d"}
},
{
"Subject ID":"-",
"Sample ID":"54_2c",
"Factors":{"Genotype":"WT"},
"Additional sample data":{"RAW_FILE_NAME":"54.2c.WT.d"}
},
{
"Subject ID":"-",
"Sample ID":"26_3g",
"Factors":{"Genotype":"WT"},
"Additional sample data":{"RAW_FILE_NAME":"26.3g.WT.d"}
},
{
"Subject ID":"-",
"Sample ID":"42_3k",
"Factors":{"Genotype":"WT"},
"Additional sample data":{"RAW_FILE_NAME":"42.3k.WT.d"}
},
{
"Subject ID":"-",
"Sample ID":"68_3n",
"Factors":{"Genotype":"WT"},
"Additional sample data":{"RAW_FILE_NAME":"68.3n.WT.d"}
},
{
"Subject ID":"-",
"Sample ID":"83_3p",
"Factors":{"Genotype":"WT"},
"Additional sample data":{"RAW_FILE_NAME":"83.3p.WT.d"}
},
{
"Subject ID":"-",
"Sample ID":"62_4b",
"Factors":{"Genotype":"WT"},
"Additional sample data":{"RAW_FILE_NAME":"62.4b.WT.d"}
},
{
"Subject ID":"-",
"Sample ID":"97_4h",
"Factors":{"Genotype":"WT"},
"Additional sample data":{"RAW_FILE_NAME":"97.4h.WT.d"}
},
{
"Subject ID":"-",
"Sample ID":"98_4h",
"Factors":{"Genotype":"WT"},
"Additional sample data":{"RAW_FILE_NAME":"98.4h.WT.d"}
},
{
"Subject ID":"-",
"Sample ID":"16_4m",
"Factors":{"Genotype":"WT"},
"Additional sample data":{"RAW_FILE_NAME":"16.4m.WT.d"}
},
{
"Subject ID":"-",
"Sample ID":"2_1u",
"Factors":{"Genotype":"WT"},
"Additional sample data":{"RAW_FILE_NAME":"2.1u.WT.d"}
},
{
"Subject ID":"-",
"Sample ID":"53_2c",
"Factors":{"Genotype":"WT"},
"Additional sample data":{"RAW_FILE_NAME":"53.2c.WT.d"}
},
{
"Subject ID":"-",
"Sample ID":"61_2e",
"Factors":{"Genotype":"WT"},
"Additional sample data":{"RAW_FILE_NAME":"61.2e.WT.d"}
},
{
"Subject ID":"-",
"Sample ID":"62_2t",
"Factors":{"Genotype":"WT"},
"Additional sample data":{"RAW_FILE_NAME":"62.2t.WT.d"}
},
{
"Subject ID":"-",
"Sample ID":"65_2u",
"Factors":{"Genotype":"WT"},
"Additional sample data":{"RAW_FILE_NAME":"65.2u.WT.d"}
},
{
"Subject ID":"-",
"Sample ID":"11_3d",
"Factors":{"Genotype":"WT"},
"Additional sample data":{"RAW_FILE_NAME":"11.3d.WT.d"}
},
{
"Subject ID":"-",
"Sample ID":"65_3n",
"Factors":{"Genotype":"WT"},
"Additional sample data":{"RAW_FILE_NAME":"65.3n.WT.d"}
},
{
"Subject ID":"-",
"Sample ID":"81_3p",
"Factors":{"Genotype":"WT"},
"Additional sample data":{"RAW_FILE_NAME":"81.3p.WT.d"}
},
{
"Subject ID":"-",
"Sample ID":"87_3q",
"Factors":{"Genotype":"WT"},
"Additional sample data":{"RAW_FILE_NAME":"87.3q.WT.d"}
},
{
"Subject ID":"-",
"Sample ID":"63_4b",
"Factors":{"Genotype":"WT"},
"Additional sample data":{"RAW_FILE_NAME":"63.4b.WT.d"}
},
{
"Subject ID":"-",
"Sample ID":"29_4n",
"Factors":{"Genotype":"WT"},
"Additional sample data":{"RAW_FILE_NAME":"29.4n.WT.d"}
},
{
"Subject ID":"-",
"Sample ID":"68_1o",
"Factors":{"Genotype":"KO"},
"Additional sample data":{"RAW_FILE_NAME":"68.1o.KO.d"}
},
{
"Subject ID":"-",
"Sample ID":"60_2e",
"Factors":{"Genotype":"KO"},
"Additional sample data":{"RAW_FILE_NAME":"60.2e.KO.d"}
},
{
"Subject ID":"-",
"Sample ID":"67_2f",
"Factors":{"Genotype":"KO"},
"Additional sample data":{"RAW_FILE_NAME":"67.2f.KO.d"}
},
{
"Subject ID":"-",
"Sample ID":"18_2l",
"Factors":{"Genotype":"KO"},
"Additional sample data":{"RAW_FILE_NAME":"18.2l.KO.d"}
},
{
"Subject ID":"-",
"Sample ID":"44_3k",
"Factors":{"Genotype":"KO"},
"Additional sample data":{"RAW_FILE_NAME":"44.3k.KO.d"}
},
{
"Subject ID":"-",
"Sample ID":"2_3s",
"Factors":{"Genotype":"KO"},
"Additional sample data":{"RAW_FILE_NAME":"2.3s.KO.d"}
},
{
"Subject ID":"-",
"Sample ID":"74_4d",
"Factors":{"Genotype":"KO"},
"Additional sample data":{"RAW_FILE_NAME":"74.4d.KO.d"}
},
{
"Subject ID":"-",
"Sample ID":"10_1v",
"Factors":{"Genotype":"KO"},
"Additional sample data":{"RAW_FILE_NAME":"10.1v.KO.d"}
},
{
"Subject ID":"-",
"Sample ID":"69_2f",
"Factors":{"Genotype":"KO"},
"Additional sample data":{"RAW_FILE_NAME":"69.2f.KO.d"}
},
{
"Subject ID":"-",
"Sample ID":"96_2i",
"Factors":{"Genotype":"KO"},
"Additional sample data":{"RAW_FILE_NAME":"96.2i.KO.d"}
},
{
"Subject ID":"-",
"Sample ID":"37_3j",
"Factors":{"Genotype":"KO"},
"Additional sample data":{"RAW_FILE_NAME":"37.3j.KO.d"}
},
{
"Subject ID":"-",
"Sample ID":"33_2o",
"Factors":{"Genotype":"KO"},
"Additional sample data":{"RAW_FILE_NAME":"33.2o.KO.d"}
},
{
"Subject ID":"-",
"Sample ID":"45_3k",
"Factors":{"Genotype":"KO"},
"Additional sample data":{"RAW_FILE_NAME":"45.3k.KO.d"}
},
{
"Subject ID":"-",
"Sample ID":"86_3q",
"Factors":{"Genotype":"KO"},
"Additional sample data":{"RAW_FILE_NAME":"86.3q.KO.d"}
},
{
"Subject ID":"-",
"Sample ID":"8_4j",
"Factors":{"Genotype":"KO"},
"Additional sample data":{"RAW_FILE_NAME":"8.4j.KO.d"}
},
{
"Subject ID":"-",
"Sample ID":"20_4m",
"Factors":{"Genotype":"KO"},
"Additional sample data":{"RAW_FILE_NAME":"20.4m.KO.d"}
},
{
"Subject ID":"-",
"Sample ID":"89_1r",
"Factors":{"Genotype":"KO"},
"Additional sample data":{"RAW_FILE_NAME":"89.1r.KO.d"}
},
{
"Subject ID":"-",
"Sample ID":"56_2d",
"Factors":{"Genotype":"KO"},
"Additional sample data":{"RAW_FILE_NAME":"56.2d.KO.d"}
},
{
"Subject ID":"-",
"Sample ID":"42_4q",
"Factors":{"Genotype":"KO"},
"Additional sample data":{"RAW_FILE_NAME":"42.4q.KO.d"}
},
{
"Subject ID":"-",
"Sample ID":"28_3g",
"Factors":{"Genotype":"KO"},
"Additional sample data":{"RAW_FILE_NAME":"28.3g.KO.d"}
},
{
"Subject ID":"-",
"Sample ID":"54_4a",
"Factors":{"Genotype":"KO"},
"Additional sample data":{"RAW_FILE_NAME":"54.4a.KO.d"}
},
{
"Subject ID":"-",
"Sample ID":"72_4d",
"Factors":{"Genotype":"KO"},
"Additional sample data":{"RAW_FILE_NAME":"72.4d.KO.d"}
},
{
"Subject ID":"-",
"Sample ID":"2_4i",
"Factors":{"Genotype":"KO"},
"Additional sample data":{"RAW_FILE_NAME":"2.4i.KO.d"}
},
{
"Subject ID":"-",
"Sample ID":"34_4o",
"Factors":{"Genotype":"KO"},
"Additional sample data":{"RAW_FILE_NAME":"34.4o.KO.d"}
},
{
"Subject ID":"-",
"Sample ID":"50_4s",
"Factors":{"Genotype":"KO"},
"Additional sample data":{"RAW_FILE_NAME":"50.4s.KO.d"}
}
],
"COLLECTION":{"COLLECTION_SUMMARY":"Urine was collected from individual mice in metabolic cages after overnight (12 hours) fasting with ad libitum access to water. Since Ndufs4 KO mice yielded limited urine volumes, urine droplets that failed to reach the collection tube were also collected. Hence, the separating cone, collection funnel and urine collection tubes were all treated with sodium azide (NaN3; 0.1% w/v; WT: 100 μL and KO: 50 μL) to prevent bacterial growth. Samples were snap-frozen in liquid nitrogen upon collection and stored at −80 °C until used.","SAMPLE_TYPE":"Urine","STORAGE_CONDITIONS":"-80℃"},

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

"SAMPLEPREP":{"SAMPLEPREP_SUMMARY":"Pre-determined volumes of urine, containing 0.0625 μmole creatinine, were supplemented with internal standards (included stable isotopes) and deproteinized using methanol. Samples were then dried under nitrogen and butylated prior to 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":"mg/g creatinine",

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"Metabolites":[{"Metabolite":"Arginine","PubChem ID":"28782"},{"Metabolite":"1-Methylhistidine","PubChem ID":"7020397"},{"Metabolite":"5-Hydroxylysine","PubChem ID":"4433"},{"Metabolite":"Asparagine","PubChem ID":"6267"},{"Metabolite":"beta-Alanine","PubChem ID":"239"},{"Metabolite":"Dimethylglycine","PubChem ID":"673"},{"Metabolite":"gamma-Aminobutyric acid","PubChem ID":"223130"},{"Metabolite":"Glycine","PubChem ID":"5257127"},{"Metabolite":"Ornithine","PubChem ID":"6262"},{"Metabolite":"Proline","PubChem ID":"145742"},{"Metabolite":"Threonine","PubChem ID":"6288"},{"Metabolite":"Sarcosine","PubChem ID":"1088"},{"Metabolite":"3-Aminoisobutanoic acid","PubChem ID":"64956"},{"Metabolite":"Citrulline","PubChem ID":"6992098"},{"Metabolite":"Creatine","PubChem ID":"586"},{"Metabolite":"cis-4-Hydroxyproline","PubChem ID":"440015"},{"Metabolite":"Alanine","PubChem ID":"5950"},{"Metabolite":"Glutamine","PubChem ID":"5961"},{"Metabolite":"3-Methylhistidine","PubChem ID":"64969"},{"Metabolite":"Cystathionine","PubChem ID":"439258"},{"Metabolite":"Kynurenine","PubChem ID":"161166"},{"Metabolite":"Lysine","PubChem ID":"5962"},{"Metabolite":"L-Acetylcarnitine","PubChem ID":"7045767"},{"Metabolite":"Propionylcarnitine","PubChem ID":"107738"},{"Metabolite":"L-Octanoylcarnitine","PubChem ID":"18102"},{"Metabolite":"Decanoylcarnitine","PubChem ID":"10245190"},{"Metabolite":"Serine","PubChem ID":"5951"},{"Metabolite":"Hexanoylcarnitine","PubChem ID":"6426853"},{"Metabolite":"Cystine","PubChem ID":"67678"},{"Metabolite":"Glutamic acid","PubChem ID":"33032"},{"Metabolite":"3-Hydroxykynurenine","PubChem ID":"89"},{"Metabolite":"Isoleucine/leucine","PubChem ID":"6106"},{"Metabolite":"Pyroglutamic acid","PubChem ID":"7405"},{"Metabolite":"Phenylalanine","PubChem ID":"6140"},{"Metabolite":"Tryptophan","PubChem ID":"6305"},{"Metabolite":"Carnitine","PubChem ID":"10917"},{"Metabolite":"Histidine","PubChem ID":"6274"},{"Metabolite":"Isothreonine","PubChem ID":"12647"},{"Metabolite":"Trimethylglycine","PubChem ID":"247"},{"Metabolite":"Aminoadipic acid","PubChem ID":"469"},{"Metabolite":"Aspartic acid","PubChem ID":"70701347"},{"Metabolite":"Methionine","PubChem ID":"5255805"},{"Metabolite":"Tyrosine","PubChem ID":"6057"},{"Metabolite":"Valine","PubChem ID":"6287"}]
}

}