{
"METABOLOMICS WORKBENCH":{"STUDY_ID":"ST002278","ANALYSIS_ID":"AN003722","VERSION":"1","CREATED_ON":"September 7, 2022, 2:53 pm"},
"PROJECT":{"PROJECT_TITLE":"Modulation of blood metabolites by dietary β–glucan in rainbow trout (Oncorhynchus mykiss)","PROJECT_SUMMARY":"Prebiotics are known to have a positive impact on fish health and growth rate, and β-glucans are among the most used prebiotics on the market. In this study, rainbow trout (Oncorhynchus mykiss) were treated with a β-1,3;1,6-glucan dietary supplement (at a dose of 0 g, 1 g, 10 g, and 50 g β-glucan per kg of feed). After 6 weeks, the effect of the β-glucan was evaluated by determining the changes in the microbiota and the blood serum metabolites in the fish","INSTITUTE":"Helmholtz Centre for Environmental Research - UFZ","DEPARTMENT":"Molecular Systems Biology","LABORATORY":"Functional Metabolomics","LAST_NAME":"Haange","FIRST_NAME":"Sven","ADDRESS":"Permoserstrasse 1, Leipzig, Saxony, 04318, Germany","EMAIL":"sven.haange@ufz.de","PHONE":"0049 341 2351099"},
"STUDY":{"STUDY_TITLE":"Modulation of blood metabolites by dietary β–glucan in rainbow trout (Oncorhynchus mykiss) - Serum lipid concentrations","STUDY_SUMMARY":"Measurement of changes in serum lipid levels using targeted mass spectrometry","INSTITUTE":"Helmholtz Centre for Environmental Research - UFZ","LAST_NAME":"Haange","FIRST_NAME":"Sven","ADDRESS":"Permoserstrasse 1, Leipzig, Saxony, 04318, Germany","EMAIL":"sven.haange@ufz.de","PHONE":"0049 341 2351099"},
"SUBJECT":{"SUBJECT_TYPE":"Fish","SUBJECT_SPECIES":"Oncorhynchus mykiss"},
"SUBJECT_SAMPLE_FACTORS":[
{
"Subject ID":"-",
"Sample ID":"1024028825",
"Factors":{"Sample time":"6_weeks","Treatment":"0,1% ß-glucan"},
"Additional sample data":{"RAW_FILE_NAME":"KIT3-0-5504_1024019798_06_1_1_1_00_1024028825.wiff"}
},
{
"Subject ID":"-",
"Sample ID":"1024028908",
"Factors":{"Sample time":"6_weeks","Treatment":"0,1% ß-glucan"},
"Additional sample data":{"RAW_FILE_NAME":"KIT3-0-5504_1024019798_07_1_1_1_00_1024028908.wiff"}
},
{
"Subject ID":"-",
"Sample ID":"1024028830",
"Factors":{"Sample time":"6_weeks","Treatment":"0,1% ß-glucan"},
"Additional sample data":{"RAW_FILE_NAME":"KIT3-0-5504_1024019798_18_1_1_1_00_1024028830.wiff"}
},
{
"Subject ID":"-",
"Sample ID":"1024028912",
"Factors":{"Sample time":"6_weeks","Treatment":"0,1% ß-glucan"},
"Additional sample data":{"RAW_FILE_NAME":"KIT3-0-5504_1024019798_19_1_1_1_00_1024028912.wiff"}
},
{
"Subject ID":"-",
"Sample ID":"1024028844",
"Factors":{"Sample time":"6_weeks","Treatment":"0,1% ß-glucan"},
"Additional sample data":{"RAW_FILE_NAME":"KIT3-0-5504_1024019798_30_1_1_1_00_1024028844.wiff"}
},
{
"Subject ID":"-",
"Sample ID":"1024028927",
"Factors":{"Sample time":"6_weeks","Treatment":"0,1% ß-glucan"},
"Additional sample data":{"RAW_FILE_NAME":"KIT3-0-5504_1024019798_31_1_1_1_00_1024028927.wiff"}
},
{
"Subject ID":"-",
"Sample ID":"1024028776",
"Factors":{"Sample time":"6_weeks","Treatment":"0,1% ß-glucan"},
"Additional sample data":{"RAW_FILE_NAME":"KIT3-0-5504_1024019798_41_1_1_1_00_1024028776.wiff"}
},
{
"Subject ID":"-",
"Sample ID":"1024028859",
"Factors":{"Sample time":"6_weeks","Treatment":"0,1% ß-glucan"},
"Additional sample data":{"RAW_FILE_NAME":"KIT3-0-5504_1024019798_42_1_1_1_00_1024028859.wiff"}
},
{
"Subject ID":"-",
"Sample ID":"1024028931",
"Factors":{"Sample time":"6_weeks","Treatment":"0,1% ß-glucan"},
"Additional sample data":{"RAW_FILE_NAME":"KIT3-0-5504_1024019798_43_1_1_1_00_1024028931.wiff"}
},
{
"Subject ID":"-",
"Sample ID":"1024028781",
"Factors":{"Sample time":"6_weeks","Treatment":"0,1% ß-glucan"},
"Additional sample data":{"RAW_FILE_NAME":"KIT3-0-5504_1024019798_53_1_1_1_00_1024028781.wiff"}
},
{
"Subject ID":"-",
"Sample ID":"1024028863",
"Factors":{"Sample time":"6_weeks","Treatment":"0,1% ß-glucan"},
"Additional sample data":{"RAW_FILE_NAME":"KIT3-0-5504_1024019798_54_1_1_1_00_1024028863.wiff"}
},
{
"Subject ID":"-",
"Sample ID":"1024019639",
"Factors":{"Sample time":"6_weeks","Treatment":"0,1% ß-glucan"},
"Additional sample data":{"RAW_FILE_NAME":"KIT3-0-5504_1024019798_55_1_1_1_00_1024019639.wiff"}
},
{
"Subject ID":"-",
"Sample ID":"1024028795",
"Factors":{"Sample time":"6_weeks","Treatment":"0,1% ß-glucan"},
"Additional sample data":{"RAW_FILE_NAME":"KIT3-0-5504_1024019798_65_1_1_1_00_1024028795.wiff"}
},
{
"Subject ID":"-",
"Sample ID":"1024028878",
"Factors":{"Sample time":"6_weeks","Treatment":"0,1% ß-glucan"},
"Additional sample data":{"RAW_FILE_NAME":"KIT3-0-5504_1024019798_66_1_1_1_00_1024028878.wiff"}
},
{
"Subject ID":"-",
"Sample ID":"1024019643",
"Factors":{"Sample time":"6_weeks","Treatment":"0,1% ß-glucan"},
"Additional sample data":{"RAW_FILE_NAME":"KIT3-0-5504_1024019798_67_1_1_1_00_1024019643.wiff"}
},
{
"Subject ID":"-",
"Sample ID":"1024028806",
"Factors":{"Sample time":"6_weeks","Treatment":"0,1% ß-glucan"},
"Additional sample data":{"RAW_FILE_NAME":"KIT3-0-5504_1024019798_77_1_1_1_00_1024028806.wiff"}
},
{
"Subject ID":"-",
"Sample ID":"1024028882",
"Factors":{"Sample time":"6_weeks","Treatment":"0,1% ß-glucan"},
"Additional sample data":{"RAW_FILE_NAME":"KIT3-0-5504_1024019798_78_1_1_1_00_1024028882.wiff"}
},
{
"Subject ID":"-",
"Sample ID":"1024019658",
"Factors":{"Sample time":"6_weeks","Treatment":"0,1% ß-glucan"},
"Additional sample data":{"RAW_FILE_NAME":"KIT3-0-5504_1024019798_79_1_1_1_00_1024019658.wiff"}
},
{
"Subject ID":"-",
"Sample ID":"1024028811",
"Factors":{"Sample time":"6_weeks","Treatment":"0,1% ß-glucan"},
"Additional sample data":{"RAW_FILE_NAME":"KIT3-0-5504_1024019798_89_1_1_1_00_1024028811.wiff"}
},
{
"Subject ID":"-",
"Sample ID":"1024028897",
"Factors":{"Sample time":"6_weeks","Treatment":"0,1% ß-glucan"},
"Additional sample data":{"RAW_FILE_NAME":"KIT3-0-5504_1024019798_90_1_1_1_00_1024028897.wiff"}
},
{
"Subject ID":"-",
"Sample ID":"1024019677",
"Factors":{"Sample time":"6_weeks","Treatment":"5% ß-glucan"},
"Additional sample data":{"RAW_FILE_NAME":"KIT3-0-5504_1024019798_08_1_1_1_00_1024019677.wiff"}
},
{
"Subject ID":"-",
"Sample ID":"1024019750",
"Factors":{"Sample time":"6_weeks","Treatment":"5% ß-glucan"},
"Additional sample data":{"RAW_FILE_NAME":"KIT3-0-5504_1024019798_09_1_1_1_00_1024019750.wiff"}
},
{
"Subject ID":"-",
"Sample ID":"1024019681",
"Factors":{"Sample time":"6_weeks","Treatment":"5% ß-glucan"},
"Additional sample data":{"RAW_FILE_NAME":"KIT3-0-5504_1024019798_20_1_1_1_00_1024019681.wiff"}
},
{
"Subject ID":"-",
"Sample ID":"1024019764",
"Factors":{"Sample time":"6_weeks","Treatment":"5% ß-glucan"},
"Additional sample data":{"RAW_FILE_NAME":"KIT3-0-5504_1024019798_21_1_1_1_00_1024019764.wiff"}
},
{
"Subject ID":"-",
"Sample ID":"1024019696",
"Factors":{"Sample time":"6_weeks","Treatment":"5% ß-glucan"},
"Additional sample data":{"RAW_FILE_NAME":"KIT3-0-5504_1024019798_32_1_1_1_00_1024019696.wiff"}
},
{
"Subject ID":"-",
"Sample ID":"1024019707",
"Factors":{"Sample time":"6_weeks","Treatment":"5% ß-glucan"},
"Additional sample data":{"RAW_FILE_NAME":"KIT3-0-5504_1024019798_44_1_1_1_00_1024019707.wiff"}
},
{
"Subject ID":"-",
"Sample ID":"1024019711",
"Factors":{"Sample time":"6_weeks","Treatment":"5% ß-glucan"},
"Additional sample data":{"RAW_FILE_NAME":"KIT3-0-5504_1024019798_56_1_1_1_00_1024019711.wiff"}
},
{
"Subject ID":"-",
"Sample ID":"1024019726",
"Factors":{"Sample time":"6_weeks","Treatment":"5% ß-glucan"},
"Additional sample data":{"RAW_FILE_NAME":"KIT3-0-5504_1024019798_68_1_1_1_00_1024019726.wiff"}
},
{
"Subject ID":"-",
"Sample ID":"1024019731",
"Factors":{"Sample time":"6_weeks","Treatment":"5% ß-glucan"},
"Additional sample data":{"RAW_FILE_NAME":"KIT3-0-5504_1024019798_80_1_1_1_00_1024019731.wiff"}
},
{
"Subject ID":"-",
"Sample ID":"1024019745",
"Factors":{"Sample time":"6_weeks","Treatment":"5% ß-glucan"},
"Additional sample data":{"RAW_FILE_NAME":"KIT3-0-5504_1024019798_33_1_1_1_00_1024019779.wiff"}
},
{
"Subject ID":"-",
"Sample ID":"1024025731",
"Factors":{"Sample time":"0h","Treatment":"no ß-glucan"},
"Additional sample data":{"RAW_FILE_NAME":"KIT3-0-5504_1024019798_03_1_1_1_00_1024025731.wiff"}
},
{
"Subject ID":"-",
"Sample ID":"1024025745",
"Factors":{"Sample time":"0h","Treatment":"no ß-glucan"},
"Additional sample data":{"RAW_FILE_NAME":"KIT3-0-5504_1024019798_15_1_1_1_00_1024025745.wiff"}
},
{
"Subject ID":"-",
"Sample ID":"1024025750",
"Factors":{"Sample time":"0h","Treatment":"no ß-glucan"},
"Additional sample data":{"RAW_FILE_NAME":"KIT3-0-5504_1024019798_27_1_1_1_00_1024025750.wiff"}
},
{
"Subject ID":"-",
"Sample ID":"1024025764",
"Factors":{"Sample time":"0h","Treatment":"no ß-glucan"},
"Additional sample data":{"RAW_FILE_NAME":"KIT3-0-5504_1024019798_39_1_1_1_00_1024025764.wiff"}
},
{
"Subject ID":"-",
"Sample ID":"1024025779",
"Factors":{"Sample time":"0h","Treatment":"no ß-glucan"},
"Additional sample data":{"RAW_FILE_NAME":"KIT3-0-5504_1024019798_51_1_1_1_00_1024025779.wiff"}
},
{
"Subject ID":"-",
"Sample ID":"1024025783",
"Factors":{"Sample time":"0h","Treatment":"no ß-glucan"},
"Additional sample data":{"RAW_FILE_NAME":"KIT3-0-5504_1024019798_63_1_1_1_00_1024025783.wiff"}
},
{
"Subject ID":"-",
"Sample ID":"1024025711",
"Factors":{"Sample time":"0h","Treatment":"no ß-glucan"},
"Additional sample data":{"RAW_FILE_NAME":"KIT3-0-5504_1024019798_74_1_1_1_00_1024025711.wiff"}
},
{
"Subject ID":"-",
"Sample ID":"1024025798",
"Factors":{"Sample time":"0h","Treatment":"no ß-glucan"},
"Additional sample data":{"RAW_FILE_NAME":"KIT3-0-5504_1024019798_75_1_1_1_00_1024025798.wiff"}
},
{
"Subject ID":"-",
"Sample ID":"1024025726",
"Factors":{"Sample time":"0h","Treatment":"no ß-glucan"},
"Additional sample data":{"RAW_FILE_NAME":"KIT3-0-5504_1024019798_86_1_1_1_00_1024025726.wiff"}
},
{
"Subject ID":"-",
"Sample ID":"1024025809",
"Factors":{"Sample time":"0h","Treatment":"no ß-glucan"},
"Additional sample data":{"RAW_FILE_NAME":"KIT3-0-5504_1024019798_87_1_1_1_00_1024025809.wiff"}
},
{
"Subject ID":"-",
"Sample ID":"1024025813",
"Factors":{"Sample time":"6_weeks","Treatment":"no ß-glucan"},
"Additional sample data":{"RAW_FILE_NAME":"KIT3-0-5504_1024019798_04_1_1_1_00_1024025813.wiff"}
},
{
"Subject ID":"-",
"Sample ID":"1024025890",
"Factors":{"Sample time":"6_weeks","Treatment":"no ß-glucan"},
"Additional sample data":{"RAW_FILE_NAME":"KIT3-0-5504_1024019798_05_1_1_1_00_1024025890.wiff"}
},
{
"Subject ID":"-",
"Sample ID":"1024025828",
"Factors":{"Sample time":"6_weeks","Treatment":"no ß-glucan"},
"Additional sample data":{"RAW_FILE_NAME":"KIT3-0-5504_1024019798_16_1_1_1_00_1024025828.wiff"}
},
{
"Subject ID":"-",
"Sample ID":"1024028757",
"Factors":{"Sample time":"6_weeks","Treatment":"no ß-glucan"},
"Additional sample data":{"RAW_FILE_NAME":"KIT3-0-5504_1024019798_17_1_1_1_00_1024028757.wiff"}
},
{
"Subject ID":"-",
"Sample ID":"1024025832",
"Factors":{"Sample time":"6_weeks","Treatment":"no ß-glucan"},
"Additional sample data":{"RAW_FILE_NAME":"KIT3-0-5504_1024019798_28_1_1_1_00_1024025832.wiff"}
},
{
"Subject ID":"-",
"Sample ID":"1024025847",
"Factors":{"Sample time":"6_weeks","Treatment":"no ß-glucan"},
"Additional sample data":{"RAW_FILE_NAME":"KIT3-0-5504_1024019798_40_1_1_1_00_1024025847.wiff"}
},
{
"Subject ID":"-",
"Sample ID":"1024025851",
"Factors":{"Sample time":"6_weeks","Treatment":"no ß-glucan"},
"Additional sample data":{"RAW_FILE_NAME":"KIT3-0-5504_1024019798_52_1_1_1_00_1024025851.wiff"}
},
{
"Subject ID":"-",
"Sample ID":"1024025866",
"Factors":{"Sample time":"6_weeks","Treatment":"no ß-glucan"},
"Additional sample data":{"RAW_FILE_NAME":"KIT3-0-5504_1024019798_64_1_1_1_00_1024025866.wiff"}
},
{
"Subject ID":"-",
"Sample ID":"1024025871",
"Factors":{"Sample time":"6_weeks","Treatment":"no ß-glucan"},
"Additional sample data":{"RAW_FILE_NAME":"KIT3-0-5504_1024019798_76_1_1_1_00_1024025871.wiff"}
},
{
"Subject ID":"-",
"Sample ID":"1024025885",
"Factors":{"Sample time":"6_weeks","Treatment":"no ß-glucan"},
"Additional sample data":{"RAW_FILE_NAME":"KIT3-0-5504_1024019798_88_1_1_1_00_1024025885.wiff"}
}
],
"COLLECTION":{"COLLECTION_SUMMARY":"For the metabolite and microbiota analyses, 10 fish from the control group were collected on day 0 and 10 fish from each group (control, 0.1, 1.0, 5.0% β-glucan) at week 6. Fish were euthanized by immersion in an overdose (200 mg∙L-1) of MS-222 (cat no. A5040, Sigma-Aldrich). The tail was cut, and blood was sampled from the vena caudalis using Na-heparinised 25 mL and 50 mL capillary pipettes (Hirschmann Laborgeräte, Germany). Blood samples were centrifuged at 3,000 g for 10 min at 4 °C, and serum was isolated and stored at -80 °C. The intestine was aseptically sampled and immediately immersed in RNAlater® (Sigma-Aldrich) and transferred to -20 °C.","SAMPLE_TYPE":"Blood (serum)","STORAGE_CONDITIONS":"-20℃"},
"TREATMENT":{"TREATMENT_SUMMARY":"A commercial pelleted (1.5 mm) trout feed (INICIO 917, BioMar A/S) based on a mixture of fish and plant protein and containing 47% crude protein, 20% crude lipid, 18% carbohydrates (NFE), 1.2% fibre, 8.5% ash, and 1.1% phosphorus was used for preparation of the diets. A β-1,3;1,6-glucan (purity: 81.6%; mean particle size: 37.7 µm; supplementary table S2) purified from yeast (Saccharomyces cerevisiae) (Biorigin, Brazil) was supplemented to this diet at varying doses: 0 g, 1 g, 10 g, and 50 g β-glucan were added to 1 kg of INICIO 917, respectively, during continuous mixing and sealed to the pellets by spraying with 30 mL organic, cold-pressed rapeseed oil (Gyldenmark), resulting in a control diet without β-glucan and three experimental diets of 0.1%, 1.0%, and 5.0% Wt/Wt β-glucan."},
"SAMPLEPREP":{"SAMPLEPREP_SUMMARY":"Sample preparation for MetIDQ p180 Kit measurement Solvents: Acetonitril (Merck KGaA, Darmstadt, Germany hypergrade for LC-MS) Water MiliQ, Extracting agent - ACN / H2O (1:1) Equipment 4 steel balls size M Eppendorf Tubes 2mL Tissue slicer (Rettberg, Germany) Centrifuge (Sigma) Work steps Approximately 100 mg of sample and 4 steel balls of size M into each tube. Per mg of sample 5 µL of extracting agent was added. Shake the samples for 10 minutes at 30 Hz in the tissue slicer and centrifuge for 2 minutes at 14000 rpm. 10µL of supernatant was used for the targeted analytics. For blood sample analysis 10 µL plasma was taken. Kit reparation The analysis was performed using the validated MetIDQ p180 Kit and described in Siskos et al. [1]. Data processing was carried out with the provided quantitation method Kit (Biocrates Life Sciences AG, Innsbruck, Austria). 1 Siskos AP, Jain P, Römisch-Margl W, Bennett M, Achaintre D, Asad Y, et al. Interlaboratory Reproducibility of a Targeted Metabolomics Platform for Analysis of Human Serum and Plasma. Anal Chem 2017;89:656-65."},
"CHROMATOGRAPHY":{"CHROMATOGRAPHY_SUMMARY":"LC - Instrument Parameters AbsoluteIDQ® p180 Kit (Biocrates Life Science AG, Innsbruck, Austria) System: UPLC (Waters Acquity, Waters Corporation, Milford, USA) Column: Agilent, Zorbax Eclipse XDB C18, 3.0 x 100 mm, 3.5 µM, Agilent Waldbronn, Germany Precolumn: Security Guard, Phenomenex, C18, 4 x 3 mm; Phenomenex, Aschaffenburg, Germany Materials: Water MiliQ, Methanol (Merck KGaA, Darmstadt, Germany, hypergrade for LC-MS) Acetonitril (Merck KGaA, Darmstadt, Germany hypergrade for LC-MS) Ammonium Acetate (Honeywell - Fluka, Seelze, Germany) Formic Acid (Honeywell, Fluka, Seelze, Germany) Running Solvent: 5mM ammonium acetat in methanol FIA: B: Mix running solvent and MiliQ water 1:1 Gradient Table FIA Time (min) Flow Rate (mL/min) %A %B Curve Initial 0.030 0.0 100.0 Initial 1.60 0.030 0.0 100.0 6 2.40 0.200 0.0 100.0 6 2.80 0.200 0.0 100.0 6 3.00 0.030 0.0 100.0 6","CHROMATOGRAPHY_TYPE":"Reversed phase","INSTRUMENT_NAME":"UPLC (Waters Acquity, Waters Corporation, Milford, USA)","COLUMN_NAME":"Agilent, Zorbax Eclipse XDB C18, 3.0 x 100 mm, 3.5 µM, Agilent Waldbronn, Germany"},
"ANALYSIS":{"ANALYSIS_TYPE":"MS"},
"MS":{"INSTRUMENT_NAME":"ABI Sciex 5500 QTrap","INSTRUMENT_TYPE":"QTRAP","MS_TYPE":"ESI","ION_MODE":"POSITIVE","MS_COMMENTS":"MS - Instrument Parameter AbsoluteIDQ® p180 Kit (Biocrates Life Science AG, Innsbruck, Austria) MS -Q-Trap 5500 Sciex Ion Source: Turbo Spray Curtian Gas: 20 CAD Gas: Medium Ion Spray Voltage: 5500 V Temperature: 500°C Ion Source Gas 1: 40psi Ion Source Gas 2: 50 psi"},
"MS_METABOLITE_DATA":{
"Units":"µM",
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"Metabolites":[{"Metabolite":"C0","Biochemical Name":"Carnitine"},{"Metabolite":"C10","Biochemical Name":"Decanoylcarnitine"},{"Metabolite":"C10:1","Biochemical Name":"Decenoylcarnitine"},{"Metabolite":"C10:2","Biochemical Name":"Decadienylcarnitine"},{"Metabolite":"C12","Biochemical Name":"Dodecanoylcarnitine"},{"Metabolite":"C12-DC","Biochemical Name":"Dedecanedioylcarnitine"},{"Metabolite":"C12:1","Biochemical Name":"Dodecenoylcarnitine"},{"Metabolite":"C14","Biochemical Name":"Tetradecanoylcarnitine"},{"Metabolite":"C14:1","Biochemical Name":"Tetradecenoylcarnitine"},{"Metabolite":"C14:1-OH","Biochemical Name":"Hydroxytetradecenoylcarnitine"},{"Metabolite":"C14:2","Biochemical Name":"Tetradecadienoylcarnitine"},{"Metabolite":"C14:2-OH","Biochemical Name":"Hydroxytetradecadienoylcarnitine"},{"Metabolite":"C16","Biochemical Name":"Hexadecanoylcarnitine"},{"Metabolite":"C16-OH","Biochemical Name":"Hydroxyhexadecanoylcarnitine"},{"Metabolite":"C16:1","Biochemical Name":"Hexadecenoylcarnitine"},{"Metabolite":"C16:1-OH","Biochemical Name":"Hydroxyhexadecenoylcarnitine"},{"Metabolite":"C16:2","Biochemical Name":"Hexadecadienylcarnitine"},{"Metabolite":"C16:2-OH","Biochemical Name":"Hydroxyhexadecadienylcarnitine"},{"Metabolite":"C18","Biochemical Name":"Octadecanoylcarnitine"},{"Metabolite":"C18:1","Biochemical Name":"Octadecenoylcarnitine"},{"Metabolite":"C18:1-OH","Biochemical Name":"Hydroxyoctadecenoylcarnitine"},{"Metabolite":"C18:2","Biochemical Name":"Octadecadienylcarnitine"},{"Metabolite":"C2","Biochemical Name":"Acetylcarnitine"},{"Metabolite":"C3","Biochemical Name":"Propionylcarnitine"},{"Metabolite":"C3-OH","Biochemical Name":"Hydroxypropionylcarnitine"},{"Metabolite":"C3:1","Biochemical Name":"Propenoylcarnitine"},{"Metabolite":"C4","Biochemical Name":"Butyrylcarnitine"},{"Metabolite":"C3-DC (C4-OH)","Biochemical Name":"Hydroxybutyrylcarnitine"},{"Metabolite":"C4:1","Biochemical Name":"Butenylcarnitine"},{"Metabolite":"C5","Biochemical Name":"Valerylcarnitine"},{"Metabolite":"C5-M-DC","Biochemical Name":"Methylglutarylcarnitine"},{"Metabolite":"C5-OH (C3-DC-M)","Biochemical Name":"Hydroxyvalerylcarnitine (Methylmalonylcarnitine)"},{"Metabolite":"C5:1","Biochemical Name":"Tiglylcarnitine"},{"Metabolite":"C5:1-DC","Biochemical Name":"Glutaconylcarnitine"},{"Metabolite":"C6 (C4:1-DC)","Biochemical Name":"Hexanoylcarnitine (Fumarylcarnitine)"},{"Metabolite":"C5-DC (C6-OH)","Biochemical Name":"Glutarylcarnitine (Hydroxyhexanoylcarnitine)"},{"Metabolite":"C6:1","Biochemical Name":"Hexenoylcarnitine"},{"Metabolite":"C7-DC","Biochemical Name":"Pimelylcarnitine"},{"Metabolite":"C8","Biochemical Name":"Octanoylcarnitine"},{"Metabolite":"C9","Biochemical Name":"Nonaylcarnitine"},{"Metabolite":"lysoPC a C14:0","Biochemical Name":"lysoPhosphatidylcholine acyl C14:0"},{"Metabolite":"lysoPC a C16:0","Biochemical Name":"lysoPhosphatidylcholine acyl C16:0"},{"Metabolite":"lysoPC a C16:1","Biochemical Name":"lysoPhosphatidylcholine acyl C16:1"},{"Metabolite":"lysoPC a C17:0","Biochemical Name":"lysoPhosphatidylcholine acyl C17:0"},{"Metabolite":"lysoPC a C18:0","Biochemical Name":"lysoPhosphatidylcholine acyl C18:0"},{"Metabolite":"lysoPC a C18:1","Biochemical Name":"lysoPhosphatidylcholine acyl C18:1"},{"Metabolite":"lysoPC a C18:2","Biochemical Name":"lysoPhosphatidylcholine acyl C18:2"},{"Metabolite":"lysoPC a C20:3","Biochemical Name":"lysoPhosphatidylcholine acyl C20:3"},{"Metabolite":"lysoPC a C20:4","Biochemical Name":"lysoPhosphatidylcholine acyl C20:4"},{"Metabolite":"lysoPC a C24:0","Biochemical Name":"lysoPhosphatidylcholine acyl C24:0"},{"Metabolite":"lysoPC a C26:0","Biochemical Name":"lysoPhosphatidylcholine acyl C26:0"},{"Metabolite":"lysoPC a C26:1","Biochemical Name":"lysoPhosphatidylcholine acyl C26:1"},{"Metabolite":"lysoPC a C28:0","Biochemical Name":"lysoPhosphatidylcholine acyl C28:0"},{"Metabolite":"lysoPC a C28:1","Biochemical Name":"lysoPhosphatidylcholine acyl C28:1"},{"Metabolite":"PC aa C24:0","Biochemical Name":"Phosphatidylcholine Diacyl C24:0"},{"Metabolite":"PC aa C26:0","Biochemical Name":"Phosphatidylcholine Diacyl C26:0"},{"Metabolite":"PC aa C28:1","Biochemical Name":"Phosphatidylcholine Diacyl C28:1"},{"Metabolite":"PC aa C30:0","Biochemical Name":"Phosphatidylcholine Diacyl C30:0"},{"Metabolite":"PC aa C30:2","Biochemical Name":"Phosphatidylcholine Diacyl C30:2"},{"Metabolite":"PC aa C32:0","Biochemical Name":"Phosphatidylcholine Diacyl C32:0"},{"Metabolite":"PC aa C32:1","Biochemical Name":"Phosphatidylcholine Diacyl C32:1"},{"Metabolite":"PC aa C32:2","Biochemical Name":"Phosphatidylcholine Diacyl C32:2"},{"Metabolite":"PC aa C32:3","Biochemical Name":"Phosphatidylcholine Diacyl C32:3"},{"Metabolite":"PC aa C34:1","Biochemical Name":"Phosphatidylcholine Diacyl C34:1"},{"Metabolite":"PC aa C34:2","Biochemical Name":"Phosphatidylcholine Diacyl C34:2"},{"Metabolite":"PC aa C34:3","Biochemical Name":"Phosphatidylcholine Diacyl C34:3"},{"Metabolite":"PC aa C34:4","Biochemical Name":"Phosphatidylcholine Diacyl C34:4"},{"Metabolite":"PC aa C36:0","Biochemical Name":"Phosphatidylcholine Diacyl C36:0"},{"Metabolite":"PC aa C36:1","Biochemical Name":"Phosphatidylcholine Diacyl C36:1"},{"Metabolite":"PC aa C36:2","Biochemical Name":"Phosphatidylcholine Diacyl C36:2"},{"Metabolite":"PC aa C36:3","Biochemical Name":"Phosphatidylcholine Diacyl C36:3"},{"Metabolite":"PC aa C36:4","Biochemical Name":"Phosphatidylcholine Diacyl C36:4"},{"Metabolite":"PC aa C36:5","Biochemical Name":"Phosphatidylcholine Diacyl C36:5"},{"Metabolite":"PC aa C36:6","Biochemical Name":"Phosphatidylcholine Diacyl C36:6"},{"Metabolite":"PC aa C38:0","Biochemical Name":"Phosphatidylcholine Diacyl C38:0"},{"Metabolite":"PC aa C38:1","Biochemical Name":"Phosphatidylcholine Diacyl C38:1"},{"Metabolite":"PC aa C38:3","Biochemical Name":"Phosphatidylcholine Diacyl C38:3"},{"Metabolite":"PC aa C38:4","Biochemical Name":"Phosphatidylcholine Diacyl C38:4"},{"Metabolite":"PC aa C38:5","Biochemical Name":"Phosphatidylcholine Diacyl C38:5"},{"Metabolite":"PC aa C38:6","Biochemical Name":"Phosphatidylcholine Diacyl C38:6"},{"Metabolite":"PC aa C40:1","Biochemical Name":"Phosphatidylcholine Diacyl C40:1"},{"Metabolite":"PC aa C40:2","Biochemical Name":"Phosphatidylcholine Diacyl C40:2"},{"Metabolite":"PC aa C40:3","Biochemical Name":"Phosphatidylcholine Diacyl C40:3"},{"Metabolite":"PC aa C40:4","Biochemical Name":"Phosphatidylcholine Diacyl C40:4"},{"Metabolite":"PC aa C40:5","Biochemical Name":"Phosphatidylcholine Diacyl C40:5"},{"Metabolite":"PC aa C40:6","Biochemical Name":"Phosphatidylcholine Diacyl C40:6"},{"Metabolite":"PC aa C42:0","Biochemical Name":"Phosphatidylcholine Diacyl C42:0"},{"Metabolite":"PC aa C42:1","Biochemical Name":"Phosphatidylcholine Diacyl C42:1"},{"Metabolite":"PC aa C42:2","Biochemical Name":"Phosphatidylcholine Diacyl C42:2"},{"Metabolite":"PC aa C42:4","Biochemical Name":"Phosphatidylcholine Diacyl C42:4"},{"Metabolite":"PC aa C42:5","Biochemical Name":"Phosphatidylcholine Diacyl C42:5"},{"Metabolite":"PC aa C42:6","Biochemical Name":"Phosphatidylcholine Diacyl C42:6"},{"Metabolite":"PC ae C30:0","Biochemical Name":"Phosphatidylcholine acyl-alkyl C30:0"},{"Metabolite":"PC ae C30:1","Biochemical Name":"Phosphatidylcholine acyl-alkyl C30:1"},{"Metabolite":"PC ae C30:2","Biochemical Name":"Phosphatidylcholine acyl-alkyl C30:2"},{"Metabolite":"PC ae C32:1","Biochemical Name":"Phosphatidylcholine acyl-alkyl C32:1"},{"Metabolite":"PC ae C32:2","Biochemical Name":"Phosphatidylcholine acyl-alkyl C32:2"},{"Metabolite":"PC ae C34:0","Biochemical Name":"Phosphatidylcholine acyl-alkyl C34:0"},{"Metabolite":"PC ae C34:1","Biochemical Name":"Phosphatidylcholine acyl-alkyl C34:1"},{"Metabolite":"PC ae C34:2","Biochemical Name":"Phosphatidylcholine acyl-alkyl C34:2"},{"Metabolite":"PC ae C34:3","Biochemical Name":"Phosphatidylcholine acyl-alkyl C34:3"},{"Metabolite":"PC ae C36:0","Biochemical Name":"Phosphatidylcholine acyl-alkyl C36:0"},{"Metabolite":"PC ae C36:1","Biochemical Name":"Phosphatidylcholine acyl-alkyl C36:1"},{"Metabolite":"PC ae C36:2","Biochemical Name":"Phosphatidylcholine acyl-alkyl C36:2"},{"Metabolite":"PC ae C36:3","Biochemical Name":"Phosphatidylcholine acyl-alkyl C36:3"},{"Metabolite":"PC ae C36:4","Biochemical Name":"Phosphatidylcholine acyl-alkyl C36:4"},{"Metabolite":"PC ae C36:5","Biochemical Name":"Phosphatidylcholine acyl-alkyl C36:5"},{"Metabolite":"PC ae C38:0","Biochemical Name":"Phosphatidylcholine acyl-alkyl C38:0"},{"Metabolite":"PC ae C38:1","Biochemical Name":"Phosphatidylcholine acyl-alkyl C38:1"},{"Metabolite":"PC ae C38:2","Biochemical Name":"Phosphatidylcholine acyl-alkyl C38:2"},{"Metabolite":"PC ae C38:3","Biochemical Name":"Phosphatidylcholine acyl-alkyl C38:3"},{"Metabolite":"PC ae C38:4","Biochemical Name":"Phosphatidylcholine acyl-alkyl C38:4"},{"Metabolite":"PC ae C38:5","Biochemical Name":"Phosphatidylcholine acyl-alkyl C38:5"},{"Metabolite":"PC ae C38:6","Biochemical Name":"Phosphatidylcholine acyl-alkyl C38:6"},{"Metabolite":"PC ae C40:1","Biochemical Name":"Phosphatidylcholine acyl-alkyl C40:1"},{"Metabolite":"PC ae C40:2","Biochemical Name":"Phosphatidylcholine acyl-alkyl C40:2"},{"Metabolite":"PC ae C40:3","Biochemical Name":"Phosphatidylcholine acyl-alkyl C40:3"},{"Metabolite":"PC ae C40:4","Biochemical Name":"Phosphatidylcholine acyl-alkyl C40:4"},{"Metabolite":"PC ae C40:5","Biochemical Name":"Phosphatidylcholine acyl-alkyl C40:5"},{"Metabolite":"PC ae C40:6","Biochemical Name":"Phosphatidylcholine acyl-alkyl C40:6"},{"Metabolite":"PC ae C42:0","Biochemical Name":"Phosphatidylcholine acyl-alkyl C42:0"},{"Metabolite":"PC ae C42:1","Biochemical Name":"Phosphatidylcholine acyl-alkyl C42:1"},{"Metabolite":"PC ae C42:2","Biochemical Name":"Phosphatidylcholine acyl-alkyl C42:2"},{"Metabolite":"PC ae C42:3","Biochemical Name":"Phosphatidylcholine acyl-alkyl C42:3"},{"Metabolite":"PC ae C42:4","Biochemical Name":"Phosphatidylcholine acyl-alkyl C42:4"},{"Metabolite":"PC ae C42:5","Biochemical Name":"Phosphatidylcholine acyl-alkyl C42:5"},{"Metabolite":"PC ae C44:3","Biochemical Name":"Phosphatidylcholine acyl-alkyl C44:3"},{"Metabolite":"PC ae C44:4","Biochemical Name":"Phosphatidylcholine acyl-alkyl C44:4"},{"Metabolite":"PC ae C44:5","Biochemical Name":"Phosphatidylcholine acyl-alkyl C44:5"},{"Metabolite":"PC ae C44:6","Biochemical Name":"Phosphatidylcholine acyl-alkyl C44:6"},{"Metabolite":"SM (OH) C14:1","Biochemical Name":"Hydroxysphingomyeline C14:1"},{"Metabolite":"SM (OH) C16:1","Biochemical Name":"Hydroxysphingomyeline C16:1"},{"Metabolite":"SM (OH) C22:1","Biochemical Name":"Hydroxysphingomyeline C22:1"},{"Metabolite":"SM (OH) C22:2","Biochemical Name":"Hydroxysphingomyeline C22:2"},{"Metabolite":"SM (OH) C24:1","Biochemical Name":"Hydroxysphingomyeline C24:1"},{"Metabolite":"SM C16:0","Biochemical Name":"Sphingomyeline C16:0"},{"Metabolite":"SM C16:1","Biochemical Name":"Sphingomyeline C16:1"},{"Metabolite":"SM C18:0","Biochemical Name":"Sphingomyeline C18:0"},{"Metabolite":"SM C18:1","Biochemical Name":"Sphingomyeline C18:1"},{"Metabolite":"SM C20:2","Biochemical Name":"Sphingomyeline C20:2"},{"Metabolite":"SM C22:3","Biochemical Name":"Sphingomyeline C22:3"},{"Metabolite":"SM C24:0","Biochemical Name":"Sphingomyeline C24:0"},{"Metabolite":"SM C24:1","Biochemical Name":"Sphingomyeline C24:1"},{"Metabolite":"SM C26:0","Biochemical Name":"Sphingomyeline C26:0"},{"Metabolite":"SM C26:1","Biochemical Name":"Sphingomyeline C26:1"},{"Metabolite":"H1","Biochemical Name":"Hexose"}]
}
}